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authorChristoph Helma <helma@in-silico.ch>2021-03-20 00:14:10 +0100
committerChristoph Helma <helma@in-silico.ch>2021-03-20 00:14:10 +0100
commit7bbe4c444523f281d07f79aa8d0a4719668c3c80 (patch)
treea79efa1decd4284d9454200fd987015826685b6d
parenteca6889b784583bc0e9fb338d7b53d4c9b530dc4 (diff)
manuscript update
-rw-r--r--Makefile66
-rw-r--r--bibliography.bib12
-rw-r--r--crossvalidations/confusion-matrices/cdk/lazar-all.csv4
-rw-r--r--crossvalidations/confusion-matrices/cdk/lazar-high-confidence.csv4
-rw-r--r--crossvalidations/confusion-matrices/mp2d/lazar-all.csv4
-rw-r--r--crossvalidations/confusion-matrices/mp2d/lazar-high-confidence.csv4
-rw-r--r--crossvalidations/predictions/cdk/lazar-all.csv15983
-rw-r--r--crossvalidations/predictions/cdk/lazar-high-confidence.csv13227
-rw-r--r--crossvalidations/predictions/mp2d/lazar-all.csv16017
-rw-r--r--crossvalidations/predictions/mp2d/lazar-high-confidence.csv13979
-rw-r--r--crossvalidations/summary.yaml102
-rw-r--r--data.yaml212
-rw-r--r--figures/Dehydropyrrolizidine.pngbin94799 -> 94489 bytes
-rw-r--r--figures/Diester.pngbin95184 -> 95052 bytes
-rw-r--r--figures/Macrocyclic.diester.pngbin94625 -> 94573 bytes
-rw-r--r--figures/Monoester.pngbin95124 -> 95120 bytes
-rw-r--r--figures/N.oxide.pngbin95137 -> 95037 bytes
-rw-r--r--figures/Otonecine.pngbin93149 -> 93417 bytes
-rw-r--r--figures/Platynecine.pngbin95129 -> 95123 bytes
-rw-r--r--figures/Retronecine.pngbin95126 -> 95016 bytes
-rw-r--r--figures/Tertiary.PA.pngbin94987 -> 94927 bytes
-rw-r--r--figures/lazar-screenshot.pngbin0 -> 72238 bytes
-rw-r--r--figures/pa-groups.csv127
-rw-r--r--figures/pa-groups.pngbin0 -> 294283 bytes
-rw-r--r--figures/roc.csv30
-rw-r--r--figures/roc.pngbin155504 -> 125597 bytes
-rw-r--r--figures/tsne-cdk-coordinates.csv12
-rw-r--r--figures/tsne-cdk-descriptors.csv12
-rw-r--r--figures/tsne-cdk-lazar-all-classifications.pngbin0 -> 450424 bytes
-rw-r--r--figures/tsne-cdk-lazar-high-confidence-classifications.pngbin0 -> 360496 bytes
-rw-r--r--figures/tsne-cdk-lr-classifications.pngbin0 -> 489903 bytes
-rw-r--r--figures/tsne-cdk-lr2-classifications.pngbin0 -> 489988 bytes
-rw-r--r--figures/tsne-cdk-mutagenicity.csv12
-rw-r--r--figures/tsne-cdk-mutagenicity.pngbin740382 -> 740256 bytes
-rw-r--r--figures/tsne-cdk-nn-classifications.pngbin0 -> 434861 bytes
-rw-r--r--figures/tsne-cdk-rf-classifications.pngbin0 -> 447828 bytes
-rw-r--r--figures/tsne-cdk-svm-classifications.pngbin0 -> 462422 bytes
-rw-r--r--figures/tsne-mp2d-lazar-all-classifications.pngbin0 -> 474481 bytes
-rw-r--r--figures/tsne-mp2d-lazar-high-confidence-classifications.pngbin0 -> 392342 bytes
-rw-r--r--figures/tsne-mp2d-lr-classifications.pngbin0 -> 470053 bytes
-rw-r--r--figures/tsne-mp2d-lr2-classifications.pngbin0 -> 474686 bytes
-rw-r--r--figures/tsne-mp2d-nn-classifications.pngbin0 -> 473028 bytes
-rw-r--r--figures/tsne-mp2d-rf-classifications.pngbin0 -> 499058 bytes
-rw-r--r--figures/tsne-mp2d-svm-classifications.pngbin0 -> 465648 bytes
-rw-r--r--mutagenicity.md609
-rw-r--r--mutagenicity.pdfbin2622156 -> 3161497 bytes
-rw-r--r--mutagenicity/mutagenicity-cdk.csv12
-rw-r--r--mutagenicity/src/mutagenicity-mod-2.new.csv12
-rw-r--r--pyrrolizidine-alkaloids/cdk/lazar-all.csv564
-rw-r--r--pyrrolizidine-alkaloids/cdk/lazar-high-confidence.csv486
-rw-r--r--pyrrolizidine-alkaloids/pa-cids-groups-predictions.csv603
-rw-r--r--pyrrolizidine-alkaloids/pa-predictions.csv984
-rw-r--r--pyrrolizidine-alkaloids/pa-predictions.pdfbin82892 -> 83022 bytes
-rw-r--r--pyrrolizidine-alkaloids/pa-predictions.tex736
-rw-r--r--pyrrolizidine-alkaloids/summary.yaml24
-rwxr-xr-xscripts/cv-pa-classifications.rb26
-rwxr-xr-xscripts/lazar-cv-predictions.rb33
-rwxr-xr-xscripts/lazar-pa-predictions.rb3
-rwxr-xr-xscripts/pa-groups.R60
-rwxr-xr-xscripts/pa-groups.rb41
-rwxr-xr-xscripts/pa-predictions.rb2
-rwxr-xr-xscripts/roc.R65
-rwxr-xr-xscripts/roc.rb5
-rwxr-xr-xscripts/summary2table.rb34
-rwxr-xr-x[-rw-r--r--]scripts/tsne-cdk-coordinates.R0
-rwxr-xr-xscripts/tsne-classifications.R19
-rwxr-xr-x[-rw-r--r--]scripts/tsne-mp2d-coordinates.R0
67 files changed, 29122 insertions, 35003 deletions
diff --git a/Makefile b/Makefile
index a3ec0ee..8025943 100644
--- a/Makefile
+++ b/Makefile
@@ -7,7 +7,7 @@
ARTICLE_FILE = mutagenicity.mustache.md
PANDOC_SCHOLAR_PATH = pandoc-scholar
OUTFILE_PREFIX = mutagenicity
-DEFAULT_EXTENSIONS = pdf
+DEFAULT_EXTENSIONS = pdf docx
PANDOC_WRITER_OPTIONS = --filter=pandoc-crossref --filter=pandoc-citeproc
TEMPLATE_FILE_LATEX = pandoc-scholar.latex
@@ -47,19 +47,26 @@ PA_SUMMARY = $(PA_DIR)summary.yaml
# manuscript
-PA_FIGURES = $(addprefix figures/, \
- Dehydropyrrolizidine.png \
- Diester.png \
- Macrocyclic.diester.png \
- Monoester.png \
- N.oxide.png \
- Otonecine.png \
- Platynecine.png \
- Retronecine.png \
- Tertiary.PA.png \
+TSNE_FIGURES = $(addprefix figures/tsne-, \
+ mp2d-mutagenicity.png \
+ cdk-mutagenicity.png \
+ mp2d-lazar-high-confidence-classifications.png \
+ mp2d-lazar-all-classifications.png \
+ mp2d-rf-classifications.png \
+ mp2d-lr-classifications.png \
+ mp2d-lr2-classifications.png \
+ mp2d-nn-classifications.png \
+ mp2d-svm-classifications.png \
+ cdk-lazar-high-confidence-classifications.png \
+ cdk-lazar-all-classifications.png \
+ cdk-rf-classifications.png \
+ cdk-lr-classifications.png \
+ cdk-lr2-classifications.png \
+ cdk-nn-classifications.png \
+ cdk-svm-classifications.png \
)
-FIGURES = figures/roc.png figures/tsne-mp2d-mutagenicity.png figures/tsne-cdk-mutagenicity.png $(PA_FIGURES)
+FIGURES = figures/roc.png figures/pa-groups.png $(TSNE_FIGURES)
DATA = data.yaml
@@ -77,6 +84,18 @@ $(DATA): $(PA_SUMMARY) $(CV_SUMMARY) mutagenicity/mutagenicity.csv mutagenicity/
## tsne
+figures/tsne-mp2d-%.png: figures/tsne-mp2d-coordinates.csv figures/mp2d-%
+ Rscript scripts/tsne-classifications.R $^ $@
+
+figures/mp2d-%-classifications: figures/tsne-mp2d-coordinates.csv crossvalidations/predictions/mp2d/%.csv pyrrolizidine-alkaloids/mp2d/%.csv
+ scripts/cv-pa-classifications.rb $^ > $@
+
+figures/tsne-cdk-%.png: figures/tsne-cdk-coordinates.csv figures/cdk-%
+ Rscript scripts/tsne-classifications.R $^ $@
+
+figures/cdk-%-classifications: figures/tsne-cdk-coordinates.csv crossvalidations/predictions/cdk/%.csv pyrrolizidine-alkaloids/cdk/%.csv
+ scripts/cv-pa-classifications.rb $^ > $@
+
figures/tsne-%-mutagenicity.png: figures/tsne-%-coordinates.csv figures/tsne-%-mutagenicity.csv
Rscript scripts/tsne-mutagenicity.R $^ $@
@@ -104,15 +123,18 @@ figures/tsne-mp2d-distances.csv: mutagenicity/mutagenicity-mp2d pyrrolizidine-al
## roc
figures/roc.png: figures/roc.csv
- Rscript scripts/roc.R
+ Rscript scripts/roc.R $< $@
figures/roc.csv: $(CV_SUMMARY)
scripts/roc.rb $< > $@
## pa predictions per group
-$(PA_FIGURES): $(PA_DIR)pa-groups.csv $(PA_DIR)pa-predictions.csv
- scripts/pa-groups.R $^
+figures/pa-groups.png: figures/pa-groups.csv
+ scripts/pa-groups.R $< $@
+
+figures/pa-groups.csv: $(PA_DIR)pa-groups.csv $(PA_DIR)pa-predictions.csv
+ scripts/pa-groups.rb $^ > $@
# PA predictions
@@ -136,12 +158,15 @@ $(PA_DIR)pa-predictions.csv: $(PA_PREDICTIONS)
## predictions
-$(PA_DIR)%/lazar-all.csv: $(LAZAR_PREDICTIONS_DIR)pa-%/predictions
+$(PA_DIR)%/lazar-all.csv: $(LAZAR_PREDICTIONS_DIR)pa-%/pa-%-prediction.csv
scripts/lazar-pa-predictions.rb $< > $@
-$(PA_DIR)%/lazar-high-confidence.csv: $(LAZAR_PREDICTIONS_DIR)pa-%/predictions
+$(PA_DIR)mp2d/lazar-high-confidence.csv: $(LAZAR_PREDICTIONS_DIR)pa-mp2d/pa-mp2d-prediction.csv
scripts/lazar-pa-predictions.rb $< 0.5 > $@
+$(PA_DIR)cdk/lazar-high-confidence.csv: $(LAZAR_PREDICTIONS_DIR)pa-cdk/pa-cdk-prediction.csv
+ scripts/lazar-pa-predictions.rb $< 0.9 > $@
+
$(PA_DIR)mp2d/%.csv: $(TENSORFLOW_PA_DIR)pred.%.v5-ext-ext-Padel-2D.csv $(PA_DIR)pa-cids.csv
scripts/tensorflow-pa-predictions.rb $^ > $@
@@ -167,12 +192,15 @@ $(CONFUSION_MATRICES_DIR)%: $(CV_PREDICTIONS_DIR)%
## predictions
-$(CV_PREDICTIONS_DIR)%/lazar-all.csv: $(LAZAR_MODELS_DIR)mutagenicity-%
+$(CV_PREDICTIONS_DIR)%/lazar-all.csv: $(LAZAR_MODELS_DIR)mutagenicity-%/crossvalidation/predictions.csv
scripts/lazar-cv-predictions.rb $< > $@
-$(CV_PREDICTIONS_DIR)%/lazar-high-confidence.csv: $(LAZAR_MODELS_DIR)mutagenicity-%
+$(CV_PREDICTIONS_DIR)mp2d/lazar-high-confidence.csv: $(LAZAR_MODELS_DIR)mutagenicity-mp2d/crossvalidation/predictions.csv
scripts/lazar-cv-predictions.rb $< 0.5 > $@
+$(CV_PREDICTIONS_DIR)cdk/lazar-high-confidence.csv: $(LAZAR_MODELS_DIR)mutagenicity-cdk/crossvalidation/predictions.csv
+ scripts/lazar-cv-predictions.rb $< 0.9 > $@
+
$(CV_PREDICTIONS_DIR)mp2d/%.csv: $(TENSORFLOW_CV_DIR)pred.%.v4_ext.csv
scripts/tensorflow-cv-predictions.rb $< > $@
diff --git a/bibliography.bib b/bibliography.bib
index db6cb68..7d2775d 100644
--- a/bibliography.bib
+++ b/bibliography.bib
@@ -1,5 +1,15 @@
+@article{Weininger1989,
+ author = {David Weininger and Arthur Weininger and Joseph L. Weininger},
+ title = {SMILES. 2. Algorithm for generation of unique SMILES notation},
+ journal = {J. Chem. Inf. Comput. Sci.},
+ year = 1989,
+ number = 29,
+ pages = {97–101},
+ doi = {https://doi.org/10.1021/ci00062a008},
+}
+
@article{Willighagen2017,
- author = {Willighagen E.L., Mayfield J.W., Alvarsson J. et al.},
+ author = {Willighagen, E.L. and Mayfield, J.W. and Alvarsson, J. et al.},
title = {The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching},
journal = {J. Cheminform.},
number = {9(33)},
diff --git a/crossvalidations/confusion-matrices/cdk/lazar-all.csv b/crossvalidations/confusion-matrices/cdk/lazar-all.csv
index f12af20..79841ee 100644
--- a/crossvalidations/confusion-matrices/cdk/lazar-all.csv
+++ b/crossvalidations/confusion-matrices/cdk/lazar-all.csv
@@ -1,2 +1,2 @@
-370,345
-42,54
+3131,723
+618,2881
diff --git a/crossvalidations/confusion-matrices/cdk/lazar-high-confidence.csv b/crossvalidations/confusion-matrices/cdk/lazar-high-confidence.csv
index f12af20..49069e2 100644
--- a/crossvalidations/confusion-matrices/cdk/lazar-high-confidence.csv
+++ b/crossvalidations/confusion-matrices/cdk/lazar-high-confidence.csv
@@ -1,2 +1,2 @@
-370,345
-42,54
+2294,407
+333,1838
diff --git a/crossvalidations/confusion-matrices/mp2d/lazar-all.csv b/crossvalidations/confusion-matrices/mp2d/lazar-all.csv
index 2c7905a..1768028 100644
--- a/crossvalidations/confusion-matrices/mp2d/lazar-all.csv
+++ b/crossvalidations/confusion-matrices/mp2d/lazar-all.csv
@@ -1,2 +1,2 @@
-3327,827
-574,3049
+3329,856
+566,3031
diff --git a/crossvalidations/confusion-matrices/mp2d/lazar-high-confidence.csv b/crossvalidations/confusion-matrices/mp2d/lazar-high-confidence.csv
index bb7fd65..2759d1d 100644
--- a/crossvalidations/confusion-matrices/mp2d/lazar-high-confidence.csv
+++ b/crossvalidations/confusion-matrices/mp2d/lazar-high-confidence.csv
@@ -1,2 +1,2 @@
-2959,639
-400,2302
+2827,579
+351,2107
diff --git a/crossvalidations/predictions/cdk/lazar-all.csv b/crossvalidations/predictions/cdk/lazar-all.csv
index c5b8cc6..424d0c7 100644
--- a/crossvalidations/predictions/cdk/lazar-all.csv
+++ b/crossvalidations/predictions/cdk/lazar-all.csv
@@ -1,8309 +1,7770 @@
-O=C1c2ccccc2C(=O)c2c1c1[nH]c3c(c1c1c2[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O)ccc1c3C(=O)c2ccccc2C1=O,NA
-NNC(=O)CNC(=O)/C=N#N,NA
-N1C(=O)/C(=N#N)/C=NC1=O,NA
-NC(=O)CNC(=O)/C=N#N,NA
-CCCCN(CC(C1=C/C(=N#N)/C(=O)C=C1)O)N=O,NA
-NC(C(=O)O)COC(=O)/C=N#N,NA
-CCN(CC(C1=CC(=O)/C(=N#N)/C=C1)O)N=O,NA
-O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,NA
-Nc1nc(N)nc(n1)N,NA
-Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,NA
-CC(CC(=O)Nc1snc2c1cccc2)C,NA
-[O-][N+](=O)c1cccc(c1C)C,NA
-CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,NA
-[O-][N+](=O)CCC,NA
-OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],NA
-OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,NA
-NC(=O)Nc1nc2c([nH]1)cccc2,NA
-C[C@H](CCC(=O)c1cocc1)O,FP
-Nc1ccc2c(c1)oc1c2cccc1,NA
-Cc1ccc2c(c1)c1cc(C)ccc1cc2,NA
-Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,NA
-CCN(/C(=N/O)/C=O)N=O,NA
-NNc1nnc(c2c1cccc2)NN,NA
-C=CC(=O)NCNC(=O)C=C,NA
-OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,NA
-Cc1ccccc1c1ccccc1,NA
-Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,NA
-Cc1nc(N)nc(n1)N,NA
-CCNc1nc(N)nc(n1)Cl,NA
-C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,NA
-CCCCB(CCCC)CCCC,NA
-CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,NA
-C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,NA
-CCNN=NCC,NA
-Oc1cccc(c1)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,NA
-OCc1ccco1,NA
-c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,NA
-Oc1cc2c(c3c1cccc3)ccc1c2cccc1,NA
-Oc1ccc2c(c1N=Nc1ccccc1)cccc2,NA
-N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,NA
-COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,NA
-CCOC(=O)C(Br)C,NA
-COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,NA
-ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,NA
-OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,NA
-CC[P@](=S)(Sc1ccccc1)OCC,NA
-Nc1ccc(c(c1)N)[N+](=O)[O-],NA
-CCSCCSP(=O)(OC)OC,NA
-OC(=O)c1ccccc1C,NA
-CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,NA
-Brc1ccccc1,NA
-Cc1cc(N)c(cc1Cl)S(=O)(=O)O,NA
-Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,NA
-CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,NA
-Clc1cc(Cl)c2c(c1)c(N)sn2,NA
-ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,NA
-Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,NA
-COCCl,NA
-O=NN1CCOCC1,NA
-Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,NA
-Nc1ccc(cc1)Nc1ccccc1,NA
-CCCCCOC(=O)C(=C)C,NA
-OC(=O)c1ccccc1,NA
-[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,NA
-c1cc2Cc3c4c2c(c1)ccc4ccc3,NA
-Fc1ccccc1c1ccccc1,NA
-Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,FP
-CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,NA
-CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,NA
-OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,NA
-Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,NA
-OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,TP
-Oc1ccc(cc1)Cc1ccccc1O,FP
-CC(OC)CCO,NA
-CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,NA
-OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,NA
-CCCCCCCC(=O)Cl,NA
-BrC(C(C)(C)C)C(=O)Nc1ccccc1,NA
-CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,NA
-[O-][N+](=O)c1cnc(s1)NC(=O)NCC,NA
-COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,NA
-Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,NA
-COC(=O)C(=C)C,NA
-Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,NA
-COC(=O)N,NA
-NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,NA
-Fc1cnc2c(c1)c1ncccc1cc2,NA
-O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,FN
-BrCc1c2ccccc2c(c2c1cccc2)C,FN
-Nc1cccc2c1nc1CCCCc1c2,NA
-COC(=O)C=C,NA
-CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,NA
-OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,NA
-Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],NA
-OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,NA
-Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,NA
-CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,NA
-CCCCN(COC(=O)C)N=O,NA
-C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,NA
-ClCCN(P(=O)(OCCC(=O)O)N)CCCl,NA
-Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,NA
-C1COCCS1,NA
-Cc1ccccc1N,NA
-O=C1c2ccccc2-c2c1cccc2,NA
-C1CCCC2C(CC1)O2,NA
-C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,NA
-N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,NA
-CN(CCN(c1ccccn1)Cc1ccccc1)C,NA
-C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,NA
-OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,NA
-CCNc1ccccc1,NA
-Nc1ccccc1SCCSc1ccccc1N,NA
-ONC(=O)c1ccccc1O,NA
-[O-][N+](=O)c1cccc(c1N)O,NA
-Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,NA
-OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,TP
-c1cc2cccc3c2c(c1)CC3,NA
-OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,NA
-CCCCOc1ccc(cc1)N=O,NA
-Nc1cc(Cl)c(cc1S(=O)(=O)O)C,NA
-COC(=O)C1=CCCN(C1)C,NA
-CNC(=O)ON,NA
-OC(=O)C=C,NA
-OC(=O)CC(=O)O,TN
-CCCCC=O,NA
-O=Nc1ccccc1c1ccccc1,NA
-Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,NA
-SCC(C(=O)O)NC(=O)C(SC)(C)C,NA
-C[n+]1ccc(cc1)c1cc[n+](cc1)C,NA
-N#N=NCC(C(C(C(C=O)O)O)O)O,NA
-CCCCCNc1snc2c1cccc2,NA
-CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,NA
-[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,NA
-[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,NA
-COc1ccc(c(c1)C(C)(C)C)O,NA
-ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],NA
-CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,NA
-OCc1cc2ccc3c4c2c(c1)ccc4ccc3,NA
-CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,NA
-C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,NA
-N#Cc1ccccc1C#N,NA
-CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],NA
-CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,NA
-C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,NA
-CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,NA
-CCCCCCOC(=O)C=C,NA
-CN(N=Nc1ccc(cc1)C(=O)O)C,NA
-ClC(c1ccccc1)(Cl)Cl,NA
-CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,NA
-O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,NA
-CCC([N+](=O)[O-])CC,FP
-CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,NA
-N#Cc1ccc(cc1)C,NA
-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],NA
-COc1nsc2c1ccc(c2)OCC1CO1,NA
-Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,NA
-[O-][N+](=O)NC(=N)N(N=O)CCCC,NA
-CCCON=O,NA
-CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,NA
-OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,NA
-O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,NA
-c1ccc2c(c1)ccc1c2c2CCCc2cc1,NA
-NCCC#N,NA
-Clc1cccc2c1c1ccccc1o2,NA
-C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,NA
-CCCCC,NA
-Cc1cccc(c1)O,NA
-CCCC(=O)OCc1ccccc1[N+](=O)[O-],FP
-BrCc1ccccc1,TP
-N#N=NCCC(C(=O)O)N,NA
-ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,NA
-CC(CCOC(=O)/C=C\c1ccccc1)C,NA
-Clc1ccccc1C(F)(F)F,NA
-NNS(=O)(=O)c1ccc(cc1)C,NA
-FC(C(F)(F)F)F,NA
-Cc1ccccc1S(=O)(=O)N,NA
-Sc1ncc(c(n1)O)C,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,NA
-c1cc2ccc3c4c2c(c1)ccc4cnc3,NA
-ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,FN
-c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,NA
-CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,NA
-Cc1ccc(c(c1)C)N,NA
-CN(N=O)C[C@@H](CO)O,NA
-OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,NA
-ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,NA
-C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,FN
-OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,NA
-O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,NA
-Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,NA
-OC(=O)/C=C/c1ccc(cc1)Cl,NA
-CCc1ccc(cc1)[N+](=O)[O-],NA
-NC(=O)CCCCC(=O)N,NA
-[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],NA
-CCCCOC(=O)c1ccccc1C(=O)OCCCC,NA
-OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,NA
-NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,NA
-NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,NA
-O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-COc1cccc(c1)N,NA
-CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],NA
-O=P1(OCc2c(O1)cccc2)Oc1ccccc1,NA
-Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,NA
-O=Nc1ccc(cc1)N(C)C,NA
-CN(N=Nc1ccc(cc1)Br)C,NA
-CC(=C)C(=O)OC(C)(C)C,NA
-CCc1ccccc1,NA
-OCC1OC(C(C1O)O)n1c(O)nc2c1nc(N)nc2O,NA
-Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,NA
-CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,NA
-N#Cc1cc(ccc1N)[N+](=O)[O-],NA
-Nc1c(C)cccc1N,NA
-CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,NA
-Nc1cccc2c1nccc2,NA
-Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,NA
-N#CCCNCCC#N,NA
-O=CC(C)C,NA
-Nc1sc2c(n1)cc(c(c2)Cl)Cl,NA
-COc1ccc(cc1)C=C,NA
-CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,NA
-Clc1ccnc2c1cccc2,NA
-COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,NA
-ClCC1=C(Br)C(=O)OC1,NA
-CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,NA
-COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,NA
-CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,NA
-O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,NA
-O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],NA
-NC(=N)S(=O)O,NA
-[O-][N+](=O)c1ccc2c(c1C)cccc2,NA
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,NA
-CP1(C)NP(C)(C)NP(N1)(C)C,NA
-C=CCOC(=O)COCCC(C)C,NA
-Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,NA
-OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,NA
-Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,NA
-CC(Nc1nc(NC(C)C)nc(n1)Cl)C,NA
-CNC(=O)CSP(=S)(OC)OC,TP
-OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],NA
-COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,NA
-CCOc1ccccc1C(=O)N,NA
-OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,NA
-Clc1ccc(cc1)S(=O)C,FP
-CCCCCCCC/C=C\CCCCCCCCN,FN
-NCCCNCCCN,NA
-NCCNCCO,NA
-COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,NA
-CCOS(=O)(=O)OCC,NA
-COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,NA
-C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,NA
-Cc1ccc(cc1)OC[C@@H]1OC1,NA
-[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],NA
-O=C1C=C(C)C(=O)c2c1cccc2,NA
-CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,NA
-Clc1ccc(c(c1)[N+](=O)[O-])C,NA
-O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,NA
-CCCC(=O)OC1CCCCC1,NA
-CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,NA
-COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,NA
-CCCCCCCCC=O,NA
-OC(=O)C(CCS(=O)(=N)C)N,NA
-CSCNc1ccccc1OC,NA
-O=Cc1cccc(c1)Cl,FP
-CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,NA
-CCCCCCCCn1sccc1=O,NA
-CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,NA
-OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,NA
-c1ccc2c(c1)cnnc2,NA
-OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,NA
-O=CC(=O)c1ccccc1,NA
-[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,FP
-O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],NA
-N#C/C(=C\c1ccccc1Br)/C(=O)OC,NA
-[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,NA
-C1NCCS1,NA
-OCCc1cn(c2c1cccc2)N=O,NA
-O=NN(Cc1cccc(c1)C)C,NA
-OCC(CO)(C)C,NA
-O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,NA
-N#C/C(=C\c1ccco1)/C(=O)OC,NA
-COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,FP
-OC(=O)c1ccc(cc1)N,NA
-COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,NA
-OC(=O)/C=C/c1ccccc1,NA
-N#Cc1cccc(c1)[N+](=O)[O-],NA
-COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,NA
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,NA
-CCN(c1ccc(cc1)[N+](=O)[O-])CC,NA
-CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,NA
-C/C(=C\C)/CCl,NA
-COc1cc(ccc1O)CC1CO1,NA
-OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,NA
-COCCO,NA
-Fc1cc2ccccc2c2c1cccn2,NA
-Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,NA
-N#Cc1ccc(cc1)C1(C)OC1,NA
-OCCNc1ccc(c(c1)O)C,NA
-O1Cc2c(C1)cccc2,NA
-N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,NA
-COc1ccn(c(=O)n1)CC(CN=N#N)O,NA
-S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],NA
-CC(C(C)C)C,NA
-c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,NA
-OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,NA
-CNc1ccccc1,NA
-O=C(C(=O)O)C(=O)O,NA
-c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,NA
-CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,NA
-CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,NA
-C/C=C/1\C[C@H]2C[C@@H]1C=C2,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,NA
-Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],NA
-ON=C1CCCCC1,NA
-COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,NA
-NC(=N)NNc1ccc(cc1)N=NC(=S)N,NA
-CCc1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-Cc1cnc2c(n1)ccc1c2nc(n1C)N,NA
-BrC(=C)C=O,NA
-[O-][N+](=O)c1ccnc2c1cccc2,NA
-Nc1nc2c(n1C)cc1c(n2)nccc1,NA
-OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,NA
-Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,NA
-CCCCCCCCCCO,NA
-[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],NA
-Cc1cccc(c1)C(=O)Cl,NA
-ClCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,NA
-Nc1cccc2c1snc2,TP
-COc1c2ccccc2[n+](c2c1cco2)[O-],NA
-COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,NA
-CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,NA
-OCC1OC(OC2C(O)CC3(C(C2(C)C(=O)O)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)C(C(C1O)O)O,NA
-O=C(Nc1ccc(cc1)Cl)CCC(=O)O,NA
-OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,NA
-CCCCOP(=O)(OCCCC)OCCCC,NA
-COC(=O)/C(=C/c1ccc(o1)Br)/C#N,NA
-OCC(C(C(=O)NCCC(=O)O)O)(C)C,NA
-ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],NA
-c1ccc2c(c1)nccn2,NA
-N#CC1=Cc2c3c1cccc3ccc2,NA
-CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,NA
-C=C1CCC2CC1C2(C)C,NA
-NC(=N)NS(=O)(=O)c1ccc(cc1)N,NA
-CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,FP
-CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,NA
-Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,NA
-OCCBr,NA
-OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,NA
-CN(c1ccc(nn1)NN)C[C@H](O)C,NA
-Oc1ccc(cc1)c1ccccc1,NA
-CC(=O)/C=C\C1=C(C)CCCC1(C)C,NA
-COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,NA
-COc1cc(ccc1N)[N+](=O)[O-],NA
-C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],NA
-COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,NA
-O/N=C/C1N(CCCN(C)C)C=CN1C,NA
-CC12OOC2(C)c2c(O1)ccc1c2cccc1,FP
-CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,NA
-OCCCCl,NA
-OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,FP
-CC(=O)OC[C@@H](CO)O,NA
-COCC(=O)O,FP
-O=Nc1c(O)ccc2c1cccc2,NA
-Cc1c(N)cccc1N=Nc1cccc(c1C)N,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,NA
-Clc1ccc(cc1)C(Cl)(Cl)Cl,TP
-CC(=O)c1ccc([nH]1)[N+](=O)[O-],NA
-Nc1ncnc2c1cnn2CC(CN=N#N)O,NA
-NC(=O)c1cnccn1,NA
-OC1C2OC2c2c(C1O)ccc1c2cccc1,NA
-C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,NA
-O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,NA
-CSc1cc(SC)c(c(c1N)C)N,NA
-CCN(c1ccccc1)N,NA
-CCOCCOCCOCC,TN
-COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,NA
-CC(OOC(C)(C)C)(C)C,NA
-CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,NA
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,NA
-N/C(=N\OS(=O)(=O)O)/c1ccccc1,NA
-ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,NA
-O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,NA
-Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,NA
-CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,NA
-CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,TP
-CNC(=O)ONC(=O)NC,TP
-O=S1(=O)CCCO1,NA
-Nc1nc2c(n1C)ccc1c2cncc1,NA
-ClC(C1=C(Cl)C(=O)OC1O)Br,NA
-Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,NA
-Nc1ccc(cc1)Sc1ccccc1,NA
-CC(=O)N(c1ccc2c(c1)cccc2)O,NA
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,TP
-[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,NA
-CCCCCC(=O)N,NA
-Cc1c(NC)ccc2c1nccn2,NA
-O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,NA
-Clc1cnc2c(c1C)cccc2,NA
-O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],NA
-CS(=O)(=O)OCCCCOS(=O)(=O)C,NA
-O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],NA
-CCOC[C@H]1CO1,NA
-c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,NA
-Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,NA
-COP(=O)(OC)OC,NA
-OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,NA
-ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,NA
-ClCc1cccc(c1)CCl,NA
-O=C(Nc1snc2c1cccc2)Nc1ccccc1,NA
-CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,NA
-O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,NA
-C/C=C/c1cc(OC)ccc1OC,NA
-OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,NA
-n1ccc2c(c1)cnnc2,NA
-CC/C=C/C,NA
-Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,NA
-O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,NA
-CC(=O)c1ccc2c(c1)cccc2,NA
-ClCC(=O)c1ccccc1,NA
-[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],NA
-O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,NA
-Nc1cccc2c1c(O)nnc2O,FP
-CCC(=O)Nc1snc2c1cc(C)cc2,NA
-OCC1OC(C(C1O)O)n1cc(O)c(nc1=O)N,NA
-Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,NA
-COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,NA
-O=NN(C(=O)Oc1ccccc1OC(C)C)C,TP
-Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],NA
-CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,NA
-O=NN(c1ccccc1)C,NA
-CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,NA
-CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,NA
-O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,NA
-ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,NA
-c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,NA
-Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,NA
-COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,NA
-C[Si](O[Si](C)(C)C)(C)C,NA
-CCCCCCCCCCCCCCCCCC(=O)N,NA
-OC(=O)C1OC(Nc2nc3c(n2C)ccc2c3nc(C)cn2)C(C(C1O)O)O,NA
-CC[Si](CC)(Cl)Cl,NA
-Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,NA
-[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,NA
-CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,NA
-COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,NA
-CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,NA
-O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,NA
-C1CCCCCC2C(CCCC1)O2,NA
-OCCc1ccc(cc1)N(C)C,NA
-Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,NA
-ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,NA
-CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,NA
-OC(=O)c1cc(O)c2c(n1)c(O)ccc2,NA
-O=C1CCCN1C,NA
-Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],NA
-N#CC(O)(C)C,NA
-CC(C[C@H](N)C)C,NA
-NCCc1c[nH]cn1,NA
-CN(NC(=O)CCC(=O)O)C,NA
-Oc1ccc2c(c1)cccc2O,NA
-Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,NA
-O=CCCN(C(=O)OCC)N=O,TP
-CCOC(C(=O)C(O)O)C,TP
-CC(COC(=O)C=C)O,NA
-OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,NA
-Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,NA
-COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,NA
-O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,NA
-[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],NA
-CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,FP
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,NA
-[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,NA
-CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,FP
-CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,NA
-COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,NA
-COc1cc(ccc1OC)CC1CO1,NA
-Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],TP
-CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,NA
-O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,NA
-Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,NA
-Nc1ccc2c(c1)c1ccccc1cc2,NA
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,NA
-c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,NA
-COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],NA
-CCCOS(=O)(=O)C,NA
-[O-][N+](=O)c1cccc(c1C)N,NA
-Nc1cnc2c(c1)cccc2,NA
-OC(=O)CCCCC1SCC2C1NC(=O)N2,NA
-O=C(c1ccccc1)OOC(C)(C)C,TP
-CC(=O)C1(CCNCC1)c1ccccc1,NA
-NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,NA
-O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,NA
-CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,NA
-Cn1cnc2c1ccc1c2cccn1,NA
-Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,NA
-Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],NA
-C=C,NA
-Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,NA
-OCN1[C@H](O)[C@H](N(C1=O)CO)O,NA
-[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,NA
-OC(=O)c1c(N)cccc1N,NA
-Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,TP
-Cc1ccc(cc1)Br,NA
-CC(CN1CC(OC1=O)C)O,NA
-CCNS(=O)(=O)c1ccccc1C,NA
-Nc1ccc2c(c1N=Nc1ccccc1)cccc2,NA
-Clc1ccc2c(c1)cccn2,NA
-CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,NA
-CCCCOC(=O)C=C,NA
-CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,NA
-Oc1cc(O)c2c(c1)oc(=O)cc2C,NA
-O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,NA
-[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,NA
-O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],NA
-ONc1ccc(cc1)Sc1ccccc1,NA
-O1CCOCCOCCOCC1,NA
-BrCc1c2ccccc2cc2c1cccc2,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],NA
-C=CC(=O)NCCCN(C)C,NA
-Nc1cccc2c1c(N)c1c(n2)cccc1,NA
-O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],TP
-Nc1ccc(cc1)[N+](=O)[O-],NA
-COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,NA
-Clc1cccc(c1)Cl,NA
-CCc1c2ccccc2cc2c1c1ccccc1cc2,NA
-CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,NA
-Nc1ccc(cc1O)c1ccc(c(c1)O)N,NA
-CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,NA
-NCCS,NA
-CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,NA
-C[n+]1c2ccccc2nc2c1cccc2,NA
-O=NC([N+](=O)[O-])(C)C,NA
-C1CCCCNC1,NA
-Cc1cccc(c1)Br,NA
-Clc1ccc(c(c1)Cc1ccccc1)O,NA
-COc1ccc(cc1)N,NA
-ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,NA
-[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],NA
-OC(=O)[C@H](O)C,NA
-OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,NA
-CCCCCCCCCCCCCCCCCC1=NCCN1CCO,NA
-Nc1cccc(c1)c1ccccc1,NA
-ONC(=O)c1ccccc1,NA
-NCCN1CCNCC1,NA
-ClCCN(c1ccc(cc1)C)CCCl,NA
-OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,NA
-COC(=O)c1cc2c([nH]1)c1ncccc1cc2,NA
-[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,NA
-Clc1cc(Cl)c(c(c1Cl)Cl)Cl,NA
-Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],NA
-CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,NA
-O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,NA
-O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,NA
-ClCC[N+](CCCl)(C)[O-],NA
-Cc1ccc2c(c1)nn[nH]2,NA
-ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,TP
-CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,NA
-c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,NA
-COC(=O)C1OC1c1ccccc1,NA
-CN(C1CCCCC1)C,NA
-CC(C(=O)Nc1ccccc1)Br,NA
-OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,NA
-O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,NA
-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,NA
-O=C1C(O)CC(N1C)c1cccnc1,NA
-CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,NA
-[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,NA
-CCCCCCCCC,NA
-CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,NA
-CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,NA
-Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,NA
-CNCCN(c1ccccn1)Cc1ccc(cc1)OC,NA
-CCCO/C=C/C=C/C=C/C=C/C=C/CC,NA
-[O-][N+](=O)c1nccn1C[C@H](COC)O,NA
-CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,NA
-CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,TP
-CC(=C)C(Cl)C,NA
-COc1c(C(=O)O)c(O)nc2c1cccc2,NA
-CC(Cc1ccccc1)N,NA
-O=C1CCC(=O)O1,NA
-[O-][N+](=Nc1ccccc1)c1ccccc1,NA
-COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,NA
-O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,NA
-Cc1cccc2c1cccc2,NA
-CCOC(=O)C(CS)N,NA
-C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,NA
-ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,TN
-CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,NA
-NC(=S)N,NA
-Clc1ccc(c(c1)N)N,NA
-COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,NA
-OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,NA
-O=Nc1ccc(cc1)c1ccccc1,NA
-C=CCN(CC=C)CC=C,NA
-ClC(=O)C(Cl)Cl,NA
-COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,NA
-CC(=O)c1ccccn1,NA
-O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],NA
-Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,NA
-CC(C(=O)OC)CN=N#N,NA
-c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,TP
-O=NN1CCCCC1,NA
-CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,NA
-ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,NA
-N#N=NCC1OC(O)C(C(C1O)O)O,NA
-FC(OC(C(F)(F)F)Cl)F,NA
-Nc1ccc(cc1)S(=O)(=O)O,NA
-Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,FP
-CCCCCCCCCc1ccc(cc1)O,NA
-O=NN1CCc2c(C1)cc(c(c2)OC)OC,NA
-C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,FP
-CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],NA
-OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,NA
-COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,NA
-CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,NA
-NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],NA
-OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,FP
-C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,NA
-CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,NA
-C/C(=N/O)/CC,NA
-Nc1nc2c(s1)cccc2,NA
-CCCCOO,NA
-COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,NA
-Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,NA
-c1ccc2c(-c3ccccc3C3C2O3)c1,NA
-OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,NA
-BrCCOC(=O)C(=O)OCCBr,NA
-Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,TP
-C[n+]1ccc(cc1)c1ccccc1,FP
-Brc1cc(Br)c(c(c1)Br)O,NA
-COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,NA
-[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,NA
-Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,NA
-C1CN2CCN1CC2,NA
-COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,NA
-Nc1ccc2c(c1)nc(c(n2)C)C,NA
-Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,NA
-O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],NA
-Nc1ccc(c(c1)N)N=Nc1ccccc1,TP
-OC[C@H](O)C,NA
-CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,NA
-Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,NA
-C=CC(=O)OCC(C)C,NA
-CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],NA
-OC(=O)C(Cl)(Cl)C,NA
-ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,TP
-CN(CCOC(c1ccccc1)c1ccccc1)C,NA
-C1=Cc2c(C1)ccc1c2ccc2c1cccc2,NA
-CC(=O)OCc1c2ccccc2cc2c1cccc2,NA
-COCCOC(=O)C=C,NA
-OCc1ccccc1N=Nc1ccc(cc1)N(C)C,NA
-OCC=C,TN
-Clc1c(O)cc(c(c1Cl)Cl)Cl,NA
-CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,NA
-Nc1ccc(c(c1C)N)N=Nc1ccccc1,NA
-BrCCCCCBr,NA
-CCN,NA
-OCCCl,NA
-CCCCCCCCCCCCO,NA
-O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,TP
-BrC1=C(Br)C(=O)OC1,NA
-Clc1cc(Cl)c(c(c1)Cl)N,NA
-c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,NA
-CC(CNCC(C)C)C,NA
-COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,NA
-Nc1n[nH]cn1,NA
-CCOC(=O)CNC(=O)C(Br)C,NA
-NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,NA
-ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,TP
-CCCCOC(=O)c1ccccc1N,NA
-CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,NA
-c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,NA
-CCCCCOC(=O)C=C,NA
-CC(OS(=O)(=O)C)C,NA
-Cc1c2ccccc2cc2c1c1ccccc1cc2,NA
-O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,NA
-OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,NA
-Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,NA
-CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,NA
-COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,FP
-BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,NA
-c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,NA
-Nc1cnc2c(c1C)nc1n2cccc1C,NA
-O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,NA
-CCCCCCCCCCCCOC[C@@H]1OC1,NA
-CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,NA
-Cc1cc2ccccc2c2c1c1ccccc1cc2,NA
-Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,NA
-O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,NA
-OC(=O)Cc1ccccc1Cl,NA
-C=CCCC(C=O)CC,NA
-Nc1cnn(c(=O)c1Cl)c1ccccc1,NA
-Nc1cnn(c(=O)c1Cl)c1ccccc1,NA
-COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,NA
-c1ccc2c(-c3ccccc3C3C2N3)c1,TP
-c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,NA
-C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,FP
-CC(C(=O)NCc1ccc(cc1)Cl)Br,NA
-NNC(=O)CNc1ccc2c(c1)cccc2,NA
-[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,TP
-O=C(C1(C)OC1)Nc1ccccc1,NA
-Oc1ccnc(n1)O,NA
-COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,NA
-OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,NA
-N#N=NCC(Cn1cnc2c1ncnc2N)O,NA
-ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,NA
-OC(=O)c1occc(=O)c1O,NA
-[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],NA
-CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,NA
-CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,NA
-C=CC(=O)c1ccc2c(c1)OCO2,NA
-OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,FP
-COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,NA
-O/N=C/c1ccncc1,NA
-C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,TP
-CCCNCCC,NA
-O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,NA
-CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,NA
-ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,NA
-CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,TP
-COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,NA
-Nc1ccc(cc1)c1ccc(cc1)N,NA
-Cc1ccc(o1)C,NA
-CCCCCN(CCCC)N=O,NA
-ONc1cnc2c(c1C)nc1n2cccc1C,NA
-C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,NA
-N1C2C1c1cscc1-c1c2csc1,NA
-Clc1ccc(cc1)CC[C@@H]1OC1,NA
-Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,NA
-CN(c1ccccc1)C,NA
-c1ccc2c(n1)cnnc2,NA
-OCC(=O)CO,NA
-OC(=O)c1ccc(cc1)C(=O)O,NA
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,NA
-CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,NA
-COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,NA
-O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-CCN(c1ccc(cc1)[N+]#N)CC,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,NA
-CCNc1nc(NC(C)C)nc(n1)Cl,NA
-COc1nncc2c1cncc2,NA
-OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,NA
-O=NN(c1cccnc1)C,NA
-CC(Nc1ccc(cc1)Nc1ccccc1)C,NA
-OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,NA
-ON1C(C)(C)CC(C1(C)C)C(=O)N,NA
-[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],NA
-ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,FN
-O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-c1cc2ccc3c4c2c(c1)cnc4ccc3,NA
-OCc1cc2ccccc2c2c1c1ccccc1cc2,NA
-[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,TP
-c1cc(cc(c1)c1ccccc1)c1ccccc1,NA
-NCCNCC,NA
-Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,TP
-c1ccc2c(n1)c1c(cc2)CCC2C1O2,NA
-CN(CCN(c1ccccc1)Cc1ccccc1)C,NA
-CCCCCCCCCCCCCCCCCCO,NA
-COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,NA
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,NA
-CSCNc1ccccc1C(=O)C,NA
-OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,NA
-Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,TP
-Oc1ccc(cc1N)S(=O)(=O)C,FP
-C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,NA
-COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,NA
-[O-][N+](=O)c1ccccc1C(F)(F)F,NA
-Fc1ccc(c2c1nccc2)F,TP
-CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,NA
-[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,NA
-CN1C=CN(C1/C=N/O)CCOCC#C,NA
-CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,NA
-CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,NA
-Cl[C@@H]1CN(C[C@H]1Cl)N=O,NA
-Nc1cccc2c1cccc2N,NA
-OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,NA
-O=Nc1ccccc1C,NA
-Oc1cccc(c1)/C=N/c1snc2c1cccc2,NA
-Cc1ccc(cc1)c1nc2c(o1)cccc2,NA
-CNc1ccc2c(c1N)cccn2,NA
-ONc1ccc(cc1)[N+](=O)[O-],NA
-CC(=O)Nc1ccc(cc1)N,NA
-Clc1c2ccccc2cc2c1cccc2,FN
-CCCCOC[C@H]1CO1,NA
-CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,NA
-Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,NA
-O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,NA
-CC[C@H](N)C,NA
-CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,NA
-CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,NA
-Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,NA
-CCCCN(CCC)N=O,NA
-O=Nc1nccn1C,NA
-c1cnc2c(c1)C1OC1C=C2,NA
-COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,NA
-CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,NA
-OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,NA
-Nc1ccc2c(c1)oc(=O)cc2C,NA
-CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,NA
-O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,NA
-CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,NA
-NC(=NC(=N)N)NCCc1ccccc1,NA
-Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,NA
-OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,NA
-CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,NA
-Cc1ccc(c2c1n(C)c1c2cccc1)C,NA
-O1C[C@H]1c1ccc(cc1)c1ccccc1,NA
-CC1=C(C)C(=O)C(=C(C1=O)C)C,NA
-Cc1ccc(cc1)C,NA
-O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,FP
-ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-COc1cc(ccc1O)C(=O)C,NA
-Cc1ccc(c(c1)O)C,NA
-ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,NA
-CCc1cc(cc(c1N)CC)c1ccccc1,NA
-CC1=CC2CCCCC2c2c1cccc2,NA
-OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,NA
-CCCO,NA
-COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,NA
-Nc1cccc(c1)[N+](=O)[O-],NA
-Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,NA
-COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,NA
-CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,NA
-OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,NA
-CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,FP
-CCCCCCCCCCCCCC[C@@H]1OC1,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,NA
-[O-][N+](=O)c1cc2c(cc1)ncn2C,NA
-O=NN1CC[C@@H]([C@H](C1)Br)Br,NA
-CCC(=O)Nc1snc2c1cccc2,NA
-CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,NA
-O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,NA
-ClC(Cl)Cl,NA
-COc1ccc(cc1)CNC(=O)C(Br)C,NA
-CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,NA
-Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,NA
-O=NN1CCOC(C1)O,NA
-O=C1CCC(=O)N1c1ccc(cc1)Cl,NA
-Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,NA
-C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,NA
-ClCc1c2ccccc2c(c2c1cccc2)CCl,NA
-O=NN1C[C@H](C)N([C@@H](C1)C)N=O,NA
-[O-][N+](=O)c1cccc(c1)C(F)(F)F,NA
-OC1COC(C(C1O)O)NCCc1c[nH]c2c1cccc2,NA
-O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,NA
-[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],NA
-COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,NA
-O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,NA
-OC(=O)C(CC(=O)c1cccc(c1N)O)N,NA
-C=O,NA
-O=NN1CC[C@H](C1)O,NA
-Oc1ccccc1c1ccccc1,NA
-Oc1ccccc1c1ccccc1,NA
-CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,NA
-[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,NA
-c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,NA
-O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,NA
-COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,NA
-CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,NA
-CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,NA
-CCOc1ccc2c(c1)sc(n2)N,NA
-OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,TP
-COc1c(Cl)ccc(c1C(=O)O)Cl,NA
-OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,NA
-O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,NA
-OCc1c2ccccc2cc2c1cccc2,NA
-CS(=O)(=O)O,NA
-CCCCCNCCCCC,NA
-OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,NA
-Nc1ccc2c(c1)c(N)c1c(n2)cccc1,NA
-[O-][Cl](=O)(=O)=O,NA
-CC1=CCC(CC1)C(O)(C)C,NA
-OC1CC(C)(C)N(C(C1)(C)C)O,NA
-COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,NA
-O[C@@H](c1ccccc1)[C@H](N)C,NA
-O=CCC(CCC=C(C)C)C,NA
-Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],NA
-Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,NA
-CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,FP
-C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,NA
-Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,NA
-[O-][N+](=O)c1cccc2c1snc2,TP
-Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,NA
-COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,NA
-CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,NA
-[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,NA
-CCN(N(N=O)O)CC,NA
-O=Cc1ccc(c(c1)Cl)Cl,NA
-COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],NA
-O=NN1CCN(CC1)C,NA
-CNc1ccc(cc1)N=Nc1ccc(cc1)NC,NA
-Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],NA
-OC(=O)CCCOc1ccc(cc1C)Cl,NA
-OCCOCC,FP
-O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,NA
-[O-][N+](=O)c1ccc2c(c1)nc[nH]2,NA
-O=Cc1ccccc1[N+](=O)[O-],NA
-Oc1ccc(cc1)C(=O)O,NA
-C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,NA
-OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,NA
-C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,NA
-ClC=C(Cl)Cl,NA
-N#Cc1cccc2c1cccc2[N+](=O)[O-],NA
-O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,NA
-OCC[N+](C)(C)C,NA
-OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCC(COc1cccc2c1cccc2)O,NA
-Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,NA
-O=CC=C(C)C,NA
-O=CC=C(Cl)Cl,NA
-c1ccc(cc1)c1ccc(cc1)CC1CO1,NA
-CCCCCCCCCCCCCCCC[C@H]1CO1,NA
-OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,NA
-CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,NA
-Nc1ccc(c(c1)C(=O)O)O,NA
-c1ccc(cc1)N(c1ccccc1)c1ccccc1,NA
-OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(CCC(C(C)C)O)C)C)/C1,NA
-Oc1cc(Cl)c(cc1Cl)O,NA
-CCC(CO)(CO)CO,NA
-CC(OC(=O)Cc1ccccc1)C,NA
-CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,NA
-ClC([N+](=O)[O-])Cl,NA
-CCOC(=O)c1ccccc1N,NA
-ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,NA
-COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,NA
-CC(=O)Nc1ccccc1C,NA
-COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,NA
-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,NA
-O=c1[nH]c(=O)n(cc1F)C1CCCO1,FP
-N1CC1,NA
-CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,NA
-Cc1cnc2c(n1)c1ncn(c1cc2)C,NA
-OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,NA
-c1ccc2c(c1)oc1c2cccc1,NA
-ClC(=O)c1ccc(cc1)C,NA
-C1CCCN1,NA
-CC(=O)Nc1ccc(cc1)c1ccccc1,NA
-CC1(OC1)c1ccccc1,NA
-N#N=Nc1nc2c(n1C)ccc1c2cccc1,NA
-NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,NA
-O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,NA
-COc1nsc2c1cccc2N,NA
-CC(=O)OCN=[N+](C)[O-],NA
-OC(COc1cccc2c1cccc2)CNC(=O)C,NA
-Nc1cc2cccc3c2c2c1cccc2cc3,NA
-CCCCCON=O,NA
-CCCCOC(=O)CCC,NA
-COc1ccc(cc1C(C)(C)C)O,NA
-[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],NA
-OCC(CBr)(Br)C,NA
-C[N+](CC1OC1)(C)C,NA
-O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,TP
-CN1CCOCC1,NA
-Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,NA
-O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,TP
-O=C1C=CC(=O)N1,NA
-ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,NA
-N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,NA
-Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,NA
-ClCC(=O)CCl,NA
-Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,NA
-CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,NA
-[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],NA
-C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,NA
-Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,FP
-Oc1cc(O)cc(c1)O,NA
-Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,FP
-C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,NA
-Clc1cncc(c1)Cl,NA
-CC(C(=O)N(Cc1ccccc1)C)Br,FP
-COP(=O)(OC)C,NA
-CC(=O)C,NA
-OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,NA
-OCCS,NA
-[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-CC(=O)N(c1ccccc1C)O,NA
-OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,NA
-N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],NA
-COc1cc(N)ccc1C,NA
-n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,NA
-CCC(=O)OCc1ccccc1[N+](=O)[O-],NA
-Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,NA
-Nc1ccc2c(c1)c(Cl)ns2,NA
-OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,NA
-O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,NA
-OCC12OOC2(CO)Oc2c1cccc2,NA
-CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-O=C1c2ccccc2C(=O)c2c1cccc2,NA
-OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,NA
-COc1c2ccccc2nc2c1cco2,NA
-OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,NA
-C/C=C/CC#N,NA
-OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,NA
-CCBr,NA
-Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,NA
-C[C@H](CBr)O,NA
-OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1cccc(c1)[N+](=O)[O-],NA
-COc1nc2c(CBr)cccc2nc1OC,NA
-CCCN(CCCCO)N=O,NA
-Cc1ccc(cc1)[N+]#N,NA
-OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,FP
-ClCc1ccccc1[N+](=O)[O-],NA
-COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,NA
-ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,NA
-CN=C=O,NA
-OC(=O)CI,TP
-Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,NA
-CCCC,NA
-CNc1ccc2c(c1C)ncc(n2)C,NA
-C1CC23C(C1)(O3)C=CC=C2,NA
-[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,NA
-OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,NA
-Brc1ccc(cc1)c1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)snc2Cl,NA
-CN[C@H](Cc1ccccc1)C,NA
-Cc1ccc(cc1)[N+](=O)[O-],NA
-CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,NA
-COc1cc(N)c(cc1N)[N+](=O)[O-],NA
-Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,NA
-CC(C#N)O,NA
-C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,NA
-OC1C(O)c2cccc3c2c2c1cccc2cc3,NA
-NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,NA
-BrCCOC(=O)C(C(C(=O)OCCBr)O)O,NA
-OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,NA
-c1cnc2c(c1)c1c(cc2)CCC2C1O2,NA
-BrC(=C)C(=O)C,NA
-S(Cc1ccccc1)Cc1ccccc1,NA
-Fc1cnc2c(c1)cc(c1c2cccc1)F,NA
-O=C/C=C/C(O)C,NA
-Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,NA
-Oc1cccc2c1c1ccc3c(c1cc2)cccc3,NA
-ClCCN([P@]1(=O)NCCCO1)CCCl,NA
-CC/C=C/C=C/C=C/C=C/C=O,NA
-COc1ccccc1N,NA
-C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],NA
-Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,NA
-CCC1(C)CO1,NA
-CCC(=C)C=O,NA
-Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,NA
-O=C(c1ccccc1N)OC/C=C/c1ccccc1,FP
-Cc1ccc2c(n1)cccc2,NA
-ClC(Br)Br,NA
-Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],NA
-CC1(OC1)c1ccc(cc1)Br,NA
-Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,FP
-CC(NC(C)C)C,NA
-NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,NA
-C/C(=C/C)/C#N,NA
-Cc1ccc(cc1)Cc1ccccc1,NA
-O=NN(Cc1cccc(c1)Br)C,NA
-CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,NA
-CCC[C@H]([C@H](CO)CC)O,NA
-CNC(=O)N(c1ccccc1)c1ccccc1,NA
-C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,NA
-Clc1ccccc1,NA
-COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,NA
-[O-][N+](=O)c1c(C)cccc1C,FP
-ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,NA
-Nc1ccc(cc1C)NOS(=O)(=O)O,NA
-OCC1OC(C(C1O)O)n1ccc(nc1=O)N,NA
-CC(COS(=O)(=O)c1ccc(cc1)C)C,NA
-CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,NA
-Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,NA
-BrCc1ccccc1CBr,NA
-COC(=O)c1ccccc1O,NA
-BrCCCCBr,NA
-c1ccc(cc1)Cn1cncc1,NA
-CCC12OC2O1,NA
-OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,NA
-OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O,NA
-[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,TP
-CC1CCc2c(C1)occ2C,NA
-CN(C1Cc2cccc3c2c(C1)ccc3)C,NA
-COCCOCCOP1(OCCOCCOC)NP(OCCOCCOC)(OCCOCCOC)NP(N1)(OCCOCCOC)OCCOCCOC,NA
-O=Nc1c(CC)cccc1CC,NA
-O=C(c1ccccc1O)Oc1ccccc1,NA
-COc1ccc2c(c1)C1CCCCC1C1C2O1,FP
-O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,TP
-Nc1ccc2c(c1)cc1c(n2)cccc1,NA
-[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,TP
-Fc1cccc2c1nccc2,NA
-OC1CC=Cc2c1nccc2,NA
-Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],NA
-O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,FP
-ON(c1ccccc1)C(=O)C,NA
-Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,NA
-COc1ccc2c(c1)nc(n2C)N,NA
-CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,NA
-c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,NA
-O=C1c2ccccc2-c2c1ccc1c2cccc1,NA
-CCCCCCCCCCC,NA
-OCC1OC(CC1O)n1cc(I)c(nc1=O)N,NA
-COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,NA
-OCC1CC(C(O1)n1cnc2c1ncnc2N)O,NA
-O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,NA
-OC[C@@H](CCl)Cl,NA
-CCOC(=O)OC(=O)OCC,NA
-NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,NA
-N#N=NC(c1ccccc1)c1ccccc1,NA
-Cc1cncc(n1)C,NA
-CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,NA
-FC[C@H]1CO1,NA
-OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,NA
-CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,NA
-Fc1cccc2c1ccc1c2cccn1,NA
-CCCc1cc(O)nc(n1)S,NA
-[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,NA
-Cc1ccc(c(c1O)C)C,NA
-COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,NA
-ClCC1=C(Cl)C(=O)OC1,NA
-Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,NA
-NC(=O)c1cccnc1,NA
-O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,NA
-CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,NA
-CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,NA
-CCCCCCCCBr,NA
-CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,NA
-CCOO,NA
-Cc1ccc2c(c1)cccc2C,NA
-O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,NA
-CC(C(C)(C)C)OP(=O)(F)C,NA
-CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,NA
-O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,NA
-[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,NA
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,TP
-FC(C(F)(F)F)(Cl)F,NA
-Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,NA
-O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,NA
-ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,NA
-C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,NA
-[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,NA
-COc1c2oc(=O)ccc2cc2c1occ2,NA
-SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,NA
-Clc1ccc(c(c1Cl)O)Cl,NA
-OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,NA
-O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,NA
-Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,NA
-c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,NA
-CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,NA
-CCP(=O)(OCC)OCC,NA
-CC(c1ccc(cc1)O)(CC(C)(C)C)C,NA
-Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,NA
-Cc1cc(N)c(cc1C)C,NA
-Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,NA
-CCCCCCCC[C@H]1CO1,NA
-O=S1(=O)CCCC1,NA
-CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,NA
-CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
-CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,NA
-C1CCC2C(C1)c1ccccc1C1C2O1,FP
-COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,TP
-Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,NA
-Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,NA
-CN=NO,NA
-[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],NA
-Nc1ccc(cc1)Cc1ccc(cc1)N,NA
-NCCCCCCN,NA
-O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-NC(=S)NCC=C,NA
-Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,NA
-CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,NA
-CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
-CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,NA
-OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,NA
-O=Nc1c(C)n(n(c1=O)c1ccccc1)C,NA
-O=C(C1=C(C)OCCS1)Nc1ccccc1,NA
-Nc1cccc(c1C)N,NA
-[N-]=[N+]=NCC(C(=O)O)(N)C,NA
-Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,NA
-COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,NA
-O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,NA
-OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,NA
-[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,NA
-O=NN(COC(=O)C)C,NA
-COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],NA
-OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,NA
-O=C(c1cccc2c1nccc2)OCc1ccccc1,NA
-CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,TP
-C1=C[C@@H]2[C@H](C=C1)O2,NA
-OC(=O)C(CC(=O)c1ccccc1N)N,NA
-Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,NA
-c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,TP
-Nc1ccc2c(c1)cccc2,NA
-ONc1ccc2c(c1)cccc2,NA
-BrC(C1=C(Cl)C(=O)OC1)Br,NA
-COC(=O)c1ccc(cc1)O,NA
-Cc1ccc(cc1)N(C(=O)C)O,NA
-CCCCNCCCC,NA
-OCCN(C(=O)OCC)N=O,NA
-CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,NA
-Oc1ccc2c(c1)cccc2,NA
-Brc1c(Br)c(Br)c(c(c1Br)Br)Br,NA
-CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,NA
-OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,NA
-CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,TN
-Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,NA
-Oc1ccc2c(c1)nccc2,NA
-OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,NA
-CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,NA
-O=c1c2cccc3c2c2c(c1=O)cccc2cc3,NA
-O=NN(CC(=O)C)C,NA
-Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,NA
-[N-]=[N+]=NCCc1ccccc1,NA
-Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],NA
-CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,NA
-Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,NA
-OCCOc1cc(Cl)c(cc1Cl)Cl,NA
-O1CC1,NA
-O=NN(Cc1ccc(cc1)Cl)C,NA
-COP(=S)(OC)OC,NA
-CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,NA
-O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,NA
-O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,NA
-Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],NA
-COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-CC(c1cccc(c1O)C(C)(C)C)(C)C,NA
-COc1ccc(ccc1=O)[N+](=O)[O-],NA
-C[C@@H]1O[C@H]1c1ccccc1,NA
-c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,NA
-CC(Cc1ccc(cc1)C(=O)C)C,NA
-CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,NA
-Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,NA
-Nc1ccc2-c3c(Cc2c1)cc(cc3)N,NA
-CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,NA
-CCC(=O)N(c1ccc(cc1)c1ccccc1)O,TP
-COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
-Nc1cnc2c(c1)c1ccccc1cc2,NA
-CNc1ccc(cc1)O,NA
-C/C=C\C=C/C=O,NA
-O=C1C=Cc2c(C1=O)cccc2,NA
-OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,NA
-CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,NA
-S=c1scc(s1)c1ccccc1,NA
-c1ccccc1,NA
-CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,FP
-Clc1cc(O)c(c(c1)Cl)Cl,NA
-O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,NA
-CSc1ccc(cc1C)OP(=S)(OC)OC,NA
-C=CCOC(=O)c1ccccc1N,NA
-COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O,NA
-C=C[C@H]1CCC=CC1,NA
-C1CCC2C(C1)c1ccccc1C=C2,NA
-Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,NA
-NC(=O)CN1C[C@@H](CC1=O)O,NA
-OC(=O)CCCC(=O)O,NA
-C=CCc1ccc(c(c1)OC)O,NA
-Clc1cc2c(c3c1cccc3)ccc1c2cccc1,NA
-CC(C=O)CC,NA
-CCOP(=S)(SCSC(C)(C)C)OCC,NA
-Cc1ccc(cc1C)S(=O)(=O)O,FP
-CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,NA
-C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,NA
-Oc1ccccc1O,NA
-Cl/C=C/CSCC(C(=O)O)N,NA
-CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,NA
-Brc1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,NA
-O1CC1COc1ccc(cc1)Cc1ccccc1,NA
-O=NN1CCC=CC1,NA
-O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,TP
-O=N#Cc1cc(C)cc(c1)C#N=O,NA
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,NA
-ClCc1c2ccccc2c(c2c1cccc2)Cl,NA
-O=NN(C(=O)N)CCC[C@H](C(=O)O)N,NA
-O=CN(c1cccc(c1)Cl)O,NA
-C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,NA
-CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,NA
-CCCCN(CC(c1ccc(cc1)O)O)N=O,NA
-CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,NA
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,NA
-CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,NA
-COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,NA
-Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,NA
-CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,NA
-CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,NA
-Nc1c2CCCCc2nc2c1cccc2,NA
-C[n+]1cccc(c1)C(=O)O,NA
-[O-][N+](=O)c1ccccc1c1ccccc1,NA
-C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,NA
-OCC1OC(CC1O)n1c(O)nc2c1nc(N)nc2O,NA
-N#Cc1cccc2c1nccc2,NA
-O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-ClC(C(=O)C(Cl)(Cl)Cl)Cl,NA
-O=NN(C(=O)N)CCC(=O)O,NA
-OCc1ccc(cc1)OC,NA
-Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,NA
-Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,FP
-Sc1ccc(cc1)[N+](=O)[O-],NA
-N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,NA
-COc1ccc(cc1N)[N+](=O)[O-],NA
-O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,NA
-BrC(=C)C(=O)O,NA
-CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,NA
-Nc1cc(N)c(cc1N=Nc1cccnc1)C,NA
-CCCCOP(=O)(Oc1ccccc1)OCCCC,NA
-OCCC(C)C,NA
-Nc1ccc(cc1)N=Nc1ccccc1,NA
-OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,NA
-Nc1nc(N)c2c(n1)nc[nH]2,NA
-N#Cc1ccccc1[N+](=O)[O-],NA
-OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,NA
-OC(=O)/C=C/c1ccccc1[N+](=O)[O-],NA
-Nc1ccc(c2c1cccc2)S(=O)(=O)O,NA
-CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,NA
-CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,NA
-CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,NA
-C/C=C(/C=O)\Cl,NA
-OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,NA
-OC(=O)CCC(=O)CC(=O)C,NA
-ClC(C1=C(Cl)C(=O)OC1)Cl,NA
-O=C(C(=C)C)OCCCCOC(=O)C(=C)C,NA
-CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,NA
-CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,NA
-NCCNCCN,NA
-COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,NA
-N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,NA
-c1ccc2c(c1)[nH]nn2,NA
-CC(=O)/C=C\c1ccc2c(c1)OCO2,FP
-O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,NA
-Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,NA
-Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,NA
-O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,NA
-COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,TP
-C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,NA
-OCCc1ccccc1,NA
-CCC=O,NA
-O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,NA
-OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,NA
-ClCC[N+](C)(C)C,FP
-COC(=O)c1ccccc1NC,NA
-CCOc1cccc(c1)[N+](=O)[O-],NA
-FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,NA
-CC(COC(=O)C(=C)C)O,NA
-ONc1ccc2c(n1)n1cccc(c1n2)C,NA
-COc1cc(C=O)c(cc1OC)OC,NA
-COc1nsc2c1cccc2OCC1CO1,NA
-Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,NA
-OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,NA
-Cc1cscc1,FP
-CN(C#N)C,NA
-CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,FP
-COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,NA
-CCOC1=CC(=O)C(=CC1=O)NC(=O)C,NA
-BrC(C(Br)(Br)Br)Br,NA
-CNC(=O)Nc1ccccc1,NA
-Cc1cc(C)c(c(c1N)C)N,NA
-CCNc1nc(NC(C)C)nc(n1)O,NA
-C[C@H](CCl)O,FN
-Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,NA
-[O-][N+](=O)CCO,NA
-COc1ccc(c(c1)O)C(=O)c1ccccc1,NA
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-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,TP
-Nc1sc2c(-c3cccnc3CC2(C)C)n1,NA
-CCCC[C@H](COC(=O)C=C)CC,FP
-Oc1ccccc1/C=N/c1snc2c1cccc2,NA
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,TN
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+CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,TN
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+OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,TN
+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,TN
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+CCn1c(N)nc2c1ccc1c2ncc(n1)C,TP
+COC(=O)c1ccccc1,TN
+BrCCCCCCCC(=O)O,FN
+Nc1cccc(c1)O,FN
+CCCCBr,FN
+CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,FP
+C[C@@H]1CCC(=C(C)C)C(=O)C1,TN
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+CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
+Cc1cccnc1,TN
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,TP
+Cc1ccc(cc1)C(N)C,FP
+O=CC(=O)C,TP
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+N#CC(O)(C)C,FP
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+OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,TP
+CC(C[C@H](N)C)C,TN
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+CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,TP
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,TN
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+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C=O)c(=O)[nH]c1=O,TN
+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O.Cl,FP
+c1ccc2c(c1)cnnc2,TN
+CCCC[C@H](CNC[C@@H](CCCC)CC)CC,TN
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],TN
+CN(c1ccc(cc1)/N=N/c1cccnc1)C,FP
+O=NN(c1ncn(c1C(=O)NC)C)C,FP
+ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,TP
+CC[C@]1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,TN
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,NA
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+CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,TN
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+CCOc1ccccc1OCC1CNCCO1,NA
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CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,TP
-Oc1cccc(c1)Nc1ccccc1,NA
-CCN(C(=S)SCC(=C)Cl)CC,NA
-Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,NA
-CCN(C#N)N=O,NA
-OCOC(C)(C)C,NA
-BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,NA
-CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,NA
-CCCCCCCC(=O)O,NA
-Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,NA
-CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,NA
-[O-][N+](=O)c1c(N)cccc1O,NA
-c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,NA
-OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,NA
-c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,NA
-O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,NA
-O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,TP
-OC1C2OC2c2c(C1O)c1cccnc1cc2,NA
-CN(c1ccc(cc1)N(C)C)C,NA
-CCCN(c1snc2c1cccc2)C(=O)CCCl,NA
-ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,NA
-[O-][N+](=O)c1cnc(s1)N,NA
-[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,NA
-CCCCCCCCCCCCCCCCCCN,NA
-[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,NA
-c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,NA
-Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,NA
-CCCCCCC=O,NA
-COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,NA
-ClC(Br)(Cl)Cl,NA
-CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,NA
-Oc1nc2c(C)cccc2nc1O,NA
-[O-][N+](=O)c1cccc2c1nc1ccccc1n2,NA
-[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-O=NN(Cc1ccc(cc1)Br)C,NA
-CNc1ncnc(c1)Oc1ccc(cc1)N,NA
-CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,NA
-CC(=O)Nc1ccc(cc1)Oc1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],NA
-COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,NA
-CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,NA
-CCCCCCCCCCCCCCCC(=O)O,NA
-OC(=O)Cc1ccc(cc1)NC(=O)C,NA
-COc1ccccc1O,NA
-Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,NA
-COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,NA
-O=C1CCCCCCCCCCCCCCO1,NA
-OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,NA
-ClCC=C,NA
-NC(C(=O)O)CSC(C(F)F)(F)F,NA
-C/C=C/c1cccc(c1OC)OC,NA
-[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],NA
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,NA
-NC(=O)c1ccccc1,NA
-CCCCN(CCCC)CCCC,NA
-Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,TP
-c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,NA
-CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,NA
-ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,NA
-Oc1ccc2c(c1)nc([nH]2)N,NA
-CCC/C=C(\C=O)/CC,NA
-Nc1cccc(n1)N,NA
-Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,NA
-[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,NA
-C/C(=C\C=O)/Cl,NA
-CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],NA
-Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,NA
-[O-][N+](=O)c1cccc2c1n[nH]c2,NA
-ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,NA
-[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,TP
-CCCCCN,NA
-CC/C=C/1\OC(=O)c2c1cccc2,NA
-CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,NA
-COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,NA
-CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,NA
-O=C1C=CC(=N#N)C=C1,NA
-OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],NA
-C=CCOC[C@H]1CO1,NA
-CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,NA
-CCCCOCC(=O)O,NA
-CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,NA
-COc1ccc2c(c1)C1CCCCC1C=C2,NA
-Cc1ccccc1C,NA
-Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,NA
-CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,TN
-CC(=O)C(=C)C,NA
-CCOc1ccc(cc1)NC(=O)C[C@H](O)C,NA
-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,NA
-ICC[C@@H]1OC[C@H](O1)CO,NA
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,NA
-CC(CCOC(=O)CC(C)C)C,NA
-ClCc1ccncc1,NA
-COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,NA
-Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,NA
-OC(=O)COc1cc(Cl)c(cc1Cl)Cl,NA
-ClC([N+](=O)[O-])(Cl)Cl,NA
-Brc1ccc2c(c1)C1OC1C1C2CCCC1,NA
-CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,NA
-O=Cc1ccc(o1)[N+](=O)[O-],NA
-OCc1cccc(c1)[N+](=O)[O-],NA
-Oc1ccc(c(c1)C)C,NA
-O=CC1=CCCC2(C1(C=O)C2)C,NA
-CSc1ccc(cc1)Cl,NA
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,FP
+CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,TN
+OC(=O)c1ccccc1Cl,TN
+ICCc1ccccc1,FP
+ON(c1ccc(cc1)Cl)C(=O)C,TN
+CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,TP
+COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,TN
+COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,TN
+Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,TN
ONc1ccc(cc1)C(=O)C,TP
-OC(=O)c1cc(O)c(c(c1)O)O,NA
-C=CCN1C2C1c1ccccc1-c1c2cccc1,TP
-Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,NA
-CCC(COC(=O)CCCCC(=O)O)CCC(O)C,NA
-[O-][N+](=O)c1ccc(c(c1)N)N,NA
-OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,NA
-Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,NA
-Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,NA
-OCCCCCCCCCCCCCCCCCC(=O)O,NA
-OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,NA
-CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,NA
-O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,NA
-COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,NA
-Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,NA
-N#CC(N=NC(C#N)(C)C)(C)C,NA
-C=CC(=O)NCCC[N+](C)(C)C,NA
-OC(=O)C[N+](C)(C)C,NA
-OCCNCCO,NA
-Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,FP
-Nc1cc([N+](=O)[O-])c(cc1Cl)N,NA
-COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,NA
-O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],TP
-Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,NA
-CCCCOCC=O,NA
-CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,NA
-CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,NA
-CCCCOC(=O)c1ccc(cc1)O,NA
-OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],NA
-O/N=C(/c1ccccc1)\N,NA
-Clc1cc(N)c(c(c1)C(=O)O)Cl,NA
-CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,NA
-CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,NA
-Nc1ccc(cc1)N=Nc1cccc(c1N)N,NA
-CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,NA
-OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,NA
-O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,NA
-CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-Oc1cnnc(n1)O,NA
-C=Cc1ccccc1C=C,NA
-Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,NA
-O=C(C(=C)C)OCCOC(=O)C(=C)C,NA
-CCCCCCCCCCCC(=O)O,NA
-Nc1ccc(cc1)c1ccccc1C,NA
-OC(=O)C(Br)(Br)Br,NA
-CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,NA
-Ic1cc2cccnc2c(c1)C(=O)O,NA
-ClC([C@H]1OC1)(Cl)Cl,NA
-O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,NA
-OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,NA
-OCc1c(CO)cnc(c1O)C,FP
-CC(CCOS(=O)(=O)C)C,NA
-BrC(c1ccccc1)C(=O)NCc1ccccc1,NA
-ClC(=O)c1c(Cl)cccc1Cl,NA
-O=C1C=C(N)c2c(C1=O)cccc2,NA
-Cc1cc2ccccc2c(c1)[N+](=O)[O-],NA
-COS(=O)(=O)F,NA
-Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,NA
-OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,NA
-ClCC(Cl)(Cl)Cl,NA
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],NA
-CC(=C)C=O,NA
-c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,NA
-Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,NA
-Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,NA
-CC[C@H](c1ccccc1O)C,FP
-c1ccc(cc1)Cc1ccccc1OCC1CO1,NA
-CC[n+]1c2ccccc2nc2c1cccc2,NA
-O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,NA
-Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,NA
-[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],TP
-CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,NA
-Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,NA
-OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,NA
-CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,NA
-[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,NA
-Clc1cccc(c1NC1=NCCN1)Cl,NA
-N#CCCC#N,NA
-OC(=O)CN=N#N,NA
-C=COCC(F)(F)F,NA
-[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,FP
-OC(=O)C[C@@H](C(=O)O)Cl,NA
-Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,FP
-Clc1ccccn1,NA
-OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,NA
-COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,NA
-C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,NA
-Oc1cc2ccc3c4c2c(n1)ccc4ccc3,NA
-[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],NA
-C[Si](N[Si](C)(C)C)(C)C,NA
-Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,NA
-ClCc1cnc(nc1Cl)Cl,TP
-COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,NA
-c1ccc(cc1)c1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],NA
-OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,NA
-CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,TP
-N1CCNCC1,NA
-O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,NA
-Cc1ccc2c(c1)cccc2[N+](=O)[O-],NA
-O1CCOCCOCCOCCOCC1,NA
-C=CCc1ccccc1OCC(CNC(C)C)O,NA
-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,NA
-CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,NA
-OC/C=C(/CCC=C(C)C)\C,NA
-Clc1ccc(c(c1)[N+](=O)[O-])Cl,NA
-Nc1cccc2c1-c1ccccc1C2,NA
-OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,NA
-OCCCNP(=O)(N(CCCl)CCCl)O,NA
-OCC(Cl)(Cl)Cl,NA
-CCCCNc1snc2c1cccc2,NA
-O=CNc1ccccc1,NA
-CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,NA
-CC(C1=CC(=O)C(=CC1=O)C)C,NA
-OC1OC(=O)C(=C1Cl)Cl,NA
-Fc1ccc2c(c1)cccn2,NA
-C=Cc1ccc(cc1)[N+](=O)[O-],NA
-COC(=O)c1occ(c1c1ccccc1)c1ccccc1,NA
-CN=[N+](C)[O-],NA
-CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],NA
-CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,NA
-CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,NA
-O1C2C1c1cscc1-c1c2csc1,NA
-CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,NA
-OC1C=Cc2c(C1O)ccc1c2nccc1,NA
-c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,NA
-Oc1cccc2c1C(=O)c1c(C2)cccc1O,NA
-Nc1cccc2c1c(N)ccc2,NA
-CC(=O)c1cccn1[N+](=O)[O-],NA
-SCc1ccccc1,NA
-Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],NA
-Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,NA
-CC(=O)Nc1ccc(cc1)C,TP
-Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,NA
-Br/C=C/c1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,NA
-N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,NA
-COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,NA
-C=CC(=O)OC(C)(C)C,NA
-Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,NA
-CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,TP
-BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,TP
-CCc1nc2c(nc1CC)ccc(c2C)NC,NA
-O=C(C(Br)(C)C)NCc1ccccc1,NA
-COP(=O)OC,NA
-NC(=O)NO,NA
-CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,FP
-[O-][N+](=O)c1n(C)cnc1c1ccccc1,NA
-CNc1ccc2c(c1)c1cc(O)ccc1cc2,NA
-BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],NA
-CCN(c1ccc2c(c1)oc(=O)cc2C)CC,NA
-Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,NA
-Oc1cc(Cl)cc(c1)Cl,NA
-ClCc1c2ccccc2cc2c1cccc2,NA
-CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,NA
-CCCCBr,NA
-Cc1cc(C)c(cc1C)C,NA
-Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,NA
-CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-COc1ccc(cc1)[Se]c1ccc(cc1)OC,NA
-c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,NA
-O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,NA
-Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,NA
-c1cccs1,NA
-CC(F)(F)F,NA
-CCCCOB(OCCCC)OCCCC,NA
-O=C1CCCCCCCCCCCC(=O)OCCO1,NA
-[O-][N+](=O)NC(=N)N(N=O)CCC,NA
-OC=O,NA
-OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,NA
-Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,NA
-CBr,NA
-OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,NA
-ClCCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,NA
-CCCC=O,NA
-CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,NA
-Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],NA
-[O-][n+]1ccc(cc1)[N+](=O)[O-],NA
-ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,NA
-n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,NA
-ClNc1ccc2-c3c(Cc2c1)cccc3,NA
-[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,NA
-Cc1ccc(c2c1c1ccccc1[nH]2)C,NA
-Cc1cc2ncccc2c2c1n(C)cn2,NA
-C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,NA
-CC(CNc1snc2c1cccc2)C,NA
-[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,NA
-Nc1ccc2-c3c(Cc2c1)cccc3,NA
-CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,NA
-BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,NA
-[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,NA
-Cc1cc(C)c2c(c1)ccc1c2cccc1,NA
-OC(=O)c1ccc(cc1N)[N+](=O)[O-],NA
-CC(C(O)C)O,NA
-CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,NA
-Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,NA
-[O-][N+]1(C)CCC(=CC1)c1ccccc1,NA
-CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,TP
-COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,NA
-CNc1c(C)cc2c(c1N)cccn2,NA
-COc1nncc2c1cccc2,NA
-CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,NA
-Clc1ccc(c(c1)C(=O)O)O,NA
-O=NN1C[C@H](C)C(=O)NC1=O,NA
-ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,NA
-CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,NA
-COc1ccc(cc1)[N+](=O)[O-],NA
-c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,NA
-O=C1CCCc2c1ccc1c2ccc2c1cccc2,NA
-Nc1cccc(c1)N,FN
-O=NN1CCN(CC1)N=O,TP
-C[N+](Cc1ccccc1)(C)C,NA
-O=C=Nc1cccc2c1cccc2N=C=O,NA
-CCCCCCCCCCCCS,NA
-COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,NA
-S1CCSCC1,NA
-O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,NA
-CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,NA
-Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,FN
-O=CC(Cl)(Cl)Cl,NA
-CCCCCC/C=C\CCCCCCOC(=O)C,NA
-Oc1ccc2c(c1)cccc2S(=O)(=O)O,NA
-CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,NA
-CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,FP
-CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,NA
-Nc1ccc2c(c1)cccn2,NA
-OC(=S)c1ccccc1,NA
-CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC,NA
-COC(CCOC(=O)C)C,NA
-OCC(C(C(C(C(=O)O)O)O)O)O,NA
-CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,NA
-OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],TP
-O=c1[nH]c(=O)[nH]c(=O)[nH]1,NA
-Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,NA
-CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,NA
-O=NN1CCC[C@@H](C1)O,NA
-ClCC(=O)c1ccc(cc1Cl)Cl,NA
-[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,NA
-[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,NA
-Nc1ccc2c3c1-c1ccccc1-c3ccc2,NA
-CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,NA
-BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,NA
-O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,NA
-O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,NA
-ON1c2ccccc2C(=O)C1(C)c1ccccc1,NA
-c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,FN
-COc1cc(OC)c2c(c1)OC1C2C=CO1,NA
-BrCC(Br)(Br)Br,NA
-C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,TP
-CNN=NC,NA
-N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,NA
-COC(=O)C1=C(C)N=C(C(=C(OCCc2ccc(cc2)N2CCN(CC2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])C,NA
-OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,NA
-O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,NA
-Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,NA
-CN(C(=S)N(C)C)C,NA
-CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,NA
-C=C=O,NA
-OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],NA
-C=Cc1ccccc1Cl,NA
-BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,NA
-ClCCc1cn(C2CC(C(O2)CO)O)c(=O)nc1N,NA
-NC(=S(=O)=O)N,NA
-Fc1cnc2c(c1)ccc1c2cc(F)cn1,NA
-O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,NA
-OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,FP
-Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],FN
-O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,NA
-OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,NA
-O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,NA
-Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-Fc1cnc2c(c1)cccc2,NA
-[O-][N+](=O)c1c(C)cccc1C(=O)O,NA
-O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,NA
-CCOP(=S)(OP(=S)(OCC)OCC)OCC,NA
-O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,NA
-O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,NA
-CC(CN(CC(C)C)CC(C)C)C,NA
-[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,NA
-BrCc1ccc(cc1)Br,NA
-O=Cc1c(Cl)cccc1Cl,NA
-CNc1nc2c(n1C)ccc1c2cccn1,NA
-ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,NA
-NCCN,NA
-Nc1sc2c(n1)C1CCCNC1CC2,NA
-O[C@@H]([C@@H](C(=O)O)O)C(=O)O,NA
-OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,NA
-c1scc(n1)c1nc2c([nH]1)cccc2,NA
-c1scc(n1)c1nc2c([nH]1)cccc2,NA
-CCCCOc1ccc(cc1)CC(=O)NO,NA
-[O-][N+](=O)c1nc2c([nH]1)cccc2,NA
-Nc1ccc2c(n1)n1cccc(c1n2)C,NA
-Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,NA
-[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],NA
-NC(=O)c1cccc(c1)[N+](=O)[O-],NA
-Cc1ccc2c(c1)ccc(=O)o2,NA
-OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,NA
-ONc1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,TP
-ONc1ccc(cc1)C,NA
-COc1ccccc1[N+](=O)[O-],TP
-Oc1nncc2c1cccc2,NA
-Cc1cc(C)c(c(c1)C)N,NA
-CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,FP
-[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,NA
-O=C1COC(=C1O)C,NA
-[O-][N+](=O)[C@@H](CC)Cl,TP
-COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,NA
-[O-][N+](=O)c1ccc(o1)CNCCO,NA
-COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,NA
-Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,FP
-COc1cc(CCC(=O)C)ccc1O,NA
-CN[C@@H]([C@H](c1ccccc1)O)C,NA
-NCCc1ccc(c(c1)O)O,NA
-CCCC/C=C/C=O,NA
-COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,NA
-CC1=CC(O)C2CC1C2(C)C,NA
-ICCc1ccc(cc1)OCc1ccccc1,NA
-CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,NA
-O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],NA
-C=CC(=O)N1CCN(CC1)c1ccccc1,NA
-CC(=O)c1ccc(s1)[N+](=O)[O-],NA
-n1ccncc1,NA
-CC1c2ccccc2-c2c1cccc2,NA
-CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,NA
-COC=C,NA
-OC1C(OC(C(C1O)O)COC1OCC(C(C1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
-ClC(C(=O)O)Cl,NA
-O=C1c2ccccc2-c2c3c1cccc3ccc2,NA
-BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,NA
-CCOCN(c1c(C)cccc1CC)C(=O)CCl,NA
-[O-][N+](=O)c1ccccc1S(=O)(=O)O,NA
-CCCCCCC(=O)OCC,NA
-CC(OC(Cl)(C)C)(Cl)C,NA
-CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],NA
+c1ccc(cc1)CN1CCN=N1,TP
+O(Cc1ccccc1)CC1OC1,TP
+Nc1ccc(cc1)S(=O)(=O)O,TN
+ClC(=C1OC(=O)C(=C1)Cl)Cl,TP
+CC(CC(=O)CC(C)C)C,TN
+OCCNc1ccc(cc1[N+](=O)[O-])N,FN
+Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,TN
+S1CCSCC1,FN
+OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,FP
+CCCN(CCC)CCC,TN
+Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,FP
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
+OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,TN
+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,FN
+BrCC(c1ccccc1)Br,FN
+CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,TP
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,TN
+C1CCCO1,TN
+[O-][N+](=O)c1nccn1C,TP
+BrCCOC(=O)C=C,TP
+OC1c2ccccc2Oc2c1cccc2,TP
+CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,TN
+BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],TP
+CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,TN
+C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,TP
+OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,TN
+O=C1CCc2c(O1)cccc2,FP
+CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,NA
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,TN
+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,TN
+COC(=O)CCCCC(=O)OC,TN
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,TP
+CC12OC1C1CCCCC1c1c2cccc1,TN
+O=C/C(=C/c1ccccc1)/Br,TP
+CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,TN
+CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,FP
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
+[O-][n+]1ncc2c(c1)cccn2,TN
+Clc1ccc(c(c1)C)O,TN
+COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,TN
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,TN
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,NA
+c1ccc(cc1)/C=C/c1ccccc1,TN
+Cc1c(C)cccc1N,FN
+CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,FP
+CCc1ccc(nc1)C,TN
+CC(=O)CC(O)(C)C,TN
+[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,TP
+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],TN
+O1C(C1c1ccccc1)c1ccccc1,FP
+O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],TP
+CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,FN
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+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,TP
+COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,NA
+O=Cc1ccccc1C,TN
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,TN
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,TP
+CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,FN
+ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
+Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,TP
+COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,TN
+OC(=O)c1ccccc1,TN
+Nc1scc(n1)c1scc(c1)[N+](=O)[O-],TP
+ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,NA
+CCc1ccccc1O,TN
+O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,TP
+CCCCCCCCC=O,TN
+c1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
+Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,TN
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,FP
+OC(=O)Cc1ccc(cc1)N,FN
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,TN
+Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,TN
Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
-O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],NA
-CC(=C)C(=O)OC[C@H]1CO1,NA
-Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,NA
-[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,TP
-COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,NA
-Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,NA
-ClCC(=O)c1ccc(cc1)NC(=O)C,NA
-OCNC(=O)CCl,NA
-ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,NA
-O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,NA
-COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,NA
-c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,NA
-OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,NA
-OCCI,NA
-C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,NA
-Clc1ccc(cc1)S(=O)O,NA
-O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,NA
-Oc1ccccc1c1nc2c(o1)cccc2,NA
-ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,NA
-O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,NA
-ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,NA
-[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,NA
-CCCCN(CCC(=O)O)N=O,NA
-Clc1ccc2c(c1)oc1c2cccc1,NA
-COc1cc(OC)c(cc1C1OC1C)OC,NA
-NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-COc1c2OCOc2cc2c1nc1occc1c2OC,TP
-Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,NA
-OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,NA
-[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,NA
-CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,NA
-CCCCCCCCCC(=O)O,FP
-NC(C(=O)O)CSC(C(Cl)F)(F)F,NA
-COc1c2ccc(=O)oc2c(c2c1cco2)OC,NA
-CNC(=O)Oc1cccc2c1OC(C2)(C)C,NA
-NC(C(=O)OC(C)(C)C)CN=N#N,NA
-CCCCOC(=O)COc1ccc(cc1Cl)Cl,NA
-Nc1ccc(c(c1Cl)Cl)Cl,NA
-Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,NA
-C/C=C\C=C,NA
-Clc1cccc2c1nccc2,NA
-OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,NA
-CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,NA
-CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,NA
-O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,NA
-[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,NA
-Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,NA
-CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,NA
-Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,NA
-Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,NA
-O=C/C(=C(/C(=O)O)\Br)/Br,NA
-O=C1CSC(=S)N1,NA
-N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,NA
-BrCC=C,TP
-CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,NA
-[O-][N+](=O)c1ccc(o1)c1cscn1,NA
-NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],NA
-O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,NA
-Clc1ccc(c(c1)Cl)Cl,NA
-N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,FP
-O=NN(Cc1cccc(c1)OC)C,NA
-[C-]#[O+],NA
-CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,NA
-Cc1cc(C)cc(c1)N,NA
-Oc1c(Cl)cc(c(c1Cl)Cl)Cl,NA
-CC(=O)Oc1cccc2c1nccc2,NA
-Fc1cc(F)c2c(c1)nccc2,NA
-CCCCCCCCCCOC(=O)C(=C)C,NA
-O=C(c1ccccc1)C(=O)C,NA
-Cc1ccc2c(c1)c(C)c1c(c2)cccc1,NA
-OCC1OC(CC1O)n1cnc2c1ncnc2N,NA
-CC(S)C,NA
-Clc1cccc2c1cc1ccccc1c2,NA
-c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,NA
-CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,NA
-Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,NA
-CC(=O)N(c1ccc(c(c1)Cl)Cl)O,NA
-OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,TP
-ClC(c1ccccc1)C(=O)NCc1ccccc1,NA
-O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,NA
-Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,NA
-OCC1OC(CC1O)n1cc(C=O)c(=O)[nH]c1=O,NA
-O1C(C1c1ccccc1)c1ccccc1,NA
-OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,NA
-OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,NA
-Cc1nccc2c1[nH]c1c2cccc1,NA
-O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,NA
-CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,NA
-COc1ccc2c(c1)oc(=O)cc2CBr,NA
-Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,NA
-Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,NA
-c1ccc2c(c1)cccc2,TN
-COc1ccc(cc1)O,NA
-Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,TP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,NA
-C[C@H](CNC[C@H](O)C)O,NA
-c1ccc2c(c1)[nH]cn2,NA
-OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,NA
-COP(=O)(SC)OC,NA
-CCc1ccnc2c1cccc2,NA
-CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,NA
-[O-][N+](=O)[CH-]CCC,NA
-Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,NA
-CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,NA
-OC(=O)/C=C/c1ccc(cc1)N,NA
-ClCc1ccc(cc1)F,NA
-Cc1ccc(c(c1)C)C,NA
-CCOCC(=O)O,NA
-ONc1ccc(cc1)Oc1ccccc1,NA
-NC(C(=O)O)Cc1ccccc1,NA
-Nc1ccc(cc1N)c1ccc(c(c1)N)N,NA
-Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,NA
-COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,NA
-CCCC(=O)OCC,NA
-OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,NA
-[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,NA
-C=CC(=O)OCC(COC(=O)C=C)(C)C,NA
-O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,TP
-Oc1cccc(c1C)O,TN
-Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,NA
-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,NA
-C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,NA
-CC(OS(=O)(=O)c1ccc(cc1)C)C,NA
-Nc1cccc2c1nc1c(N)cccc1n2,TN
-CN(CC[C@H](c1ccccn1)c1ccccc1)C,NA
-Clc1ccc(cc1)[N+](=O)[O-],NA
-CCc1cnccn1,NA
-Nc1scc(n1)c1scc(c1)[N+](=O)[O-],NA
-ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,NA
-O=Cc1ccc(cc1)N,NA
-OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,NA
-Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,NA
-OS(=O)(=O)ONNCCc1ccccc1,NA
-OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-CNc1ccc2c(c1C)nc(cn2)C,NA
-CC(=O)Nc1cccc2c1cccn2,NA
-OC(=O)CC(C(=O)O)O,NA
-OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,NA
-C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,NA
-COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,NA
-CCOc1cccc2c1nccc2,NA
-O=C(c1ccccc1)/C=C/c1ccccc1,FP
-CCOC(=O)CCl,NA
-C#CCOCC[n+]1ccccc1/C=N/O,NA
-O=C1C=C(C)C(=O)C(=C1)C,FP
-ClCCN(CCCl)CCCl,NA
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,NA
-NC(C(=O)O)CN=N#N,NA
-Oc1ccc2c(c1)nc(n2C)N,FP
-CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,NA
-OCCn1c(CO)ncc1[N+](=O)[O-],NA
-OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,NA
-CCN=NC(OO)(C)C,NA
-COC(=O)C,FP
-ClCC(Cl)Cl,FP
-O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,NA
-[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,NA
-CC(=O)NN,NA
-Nc1ccc(c(c1)O)C,NA
-CCCCOC(=O)c1cccc2c1nccc2,NA
-COc1ccc2c(c1)[nH]c1c2ccnc1C,NA
-OCC1OC(OC23CC(C(=O)C3C(C3(C(=C2)C)CC3)(C)O)C)C(C(C1O)O)O,NA
-[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,NA
-[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,NA
+OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,TP
+On1nnc2c1cccc2,TN
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,FP
+CCCCCN,TN
+COCN(c1c(CC)cccc1CC)C(=O)CCl,FN
+ClC(C(=O)C(Cl)Cl)Cl,TP
+[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,TN
+OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,TP
+CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,TN
+O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,NA
+NC1CCCCC1,TN
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,TN
+CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,TP
+OC1OC(=O)C(=C1Cl)Cl,TP
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,NA
+[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],FP
+Clc1nnc(c(c1)O)c1ccccc1,NA
+CC1OC(C)CN(C1)N=O,TP
+Clc1cccc2c1oc1c2cccc1,FP
+ClC(=O)c1cccc(c1)[N+](=O)[O-],TP
+COc1cc(ccc1N)[N+](=O)[O-],TP
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,TP
+CCc1nccc(c1)C(=S)N,FP
+Nc1ccc(cc1)c1ccc(cc1)Cl,TP
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,TP
+OCCc1ccc(cc1)[N+](=O)[O-],TP
CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,FP
-[O-][N+](=O)c1ccc2c(c1)n[nH]c2,NA
-O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,NA
-Cc1cc2ccccc2c(c1)C,NA
-CCCCCCCCCCCC[C@H]1CO1,NA
-Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,NA
-OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,NA
-Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,NA
-OC(=O)c1ccc(c(c1)Cl)Cl,NA
-Cc1ncc2c(n1)CCC2,NA
-CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,NA
-CN(C#N)N=O,NA
-N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,NA
-c1ccc2c(c1)occ2,NA
-CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,NA
-C1N2CN3CN1CN(C2)C3,NA
-[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,NA
-Nc1ccc(cc1)C(=O)N,NA
-Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,FP
-COc1ccc(cc1)C1OC1C,NA
-Nc1ccc(cc1)CCc1ccc(cc1)N,NA
-c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,NA
-[O-][N+](=O)c1cccc2c1csn2,NA
-C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,NA
-Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,NA
-[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,NA
-CC(OC(=O)C)C,NA
-O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],TP
-COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],NA
-OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,NA
-CCN(c1ccc(cc1)N=Nc1cccnc1)CC,NA
-COCCOC(=O)C,NA
-COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,NA
-OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,NA
-[O-][N+](=O)c1ccc2c(c1)cccn2,NA
-Fc1cc2cccnc2c2c1nccc2,NA
-CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,TP
-Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],NA
-O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,NA
-CC(=C)C(=O)O,NA
-CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,NA
-Cc1cc(ccc1N=Nc1ccccc1)N(C)C,TP
-Clc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
-CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,NA
-CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,NA
-BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,NA
-OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,NA
-CC(=O)N(c1ccc(cc1)c1ccccc1)O,NA
-O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,NA
-[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,NA
-CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,TP
-CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,NA
-FC(=C(F)F)F,NA
-[O-][N+](=O)[C@@H](CO)C,NA
-CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,NA
-C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,NA
-OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,NA
-COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,NA
-CCCCCCOC[C@H]1CO1,NA
-ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,NA
-OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O,NA
-CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,NA
-CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,NA
-OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],NA
-OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,NA
-COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],NA
-C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,NA
-OC1C(OCC(C1O)O)Nc1ccc(cc1)[N+](=O)[O-],NA
-O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],NA
-OC(=O)/C=C/Cl,NA
-O=NN(c1ccccc1)COC(=O)C,NA
-Cn1cccc1,NA
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,NA
-[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,NA
-O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-Nc1ccccc1S,NA
-Cc1ccc(c(c1)S(=O)(=O)O)N,NA
-Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,NA
-Cc1cc(O)nc(n1)S,NA
+COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,FN
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],FP
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,TN
+Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,TP
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,TP
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,TN
+COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,TP
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,TN
+COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,FP
+ClCc1cccc(c1)[N+](=O)[O-],TP
+Nc1ccccc1c1ccccc1,TP
+CCCCCCCCCCCCCCCCCCCC,TN
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,TP
+CCCCCCCCCCCCCCCCCC(=O)O,TN
+Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,FN
+O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],TP
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,TP
+CCCCCC,TN
+CN1CCC(=CC1)c1ccccc1,FP
+CCOC(=O)C1C(C1(C)C)C=C(C)C,TN
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,TP
+CCCCCCCCCCCCC=C,TN
+COc1cccc2c1nc1occc1c2OC,TP
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,TP
+N#C/C(=C\c1ccco1)/C(=O)OC,TN
+[O-][N+](=O)NC(=N)N(N=O)CCC,TP
+ClC(=O)c1ccccc1C(=O)Cl,TP
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,TN
+OCC12OOC2(CO)Oc2c1cccc2,TN
+c1ccc2c(c1)[nH]cc2,TN
+COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],NA
+Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
+CCCCCC[C@@H]([C@H]1C2=C(C[C@@H](CC3=C([C@H]1O)C(=O)OC3=O)[C@H]([C@@H]1CC=CC(=O)O1)O)C(=O)OC2=O)O,TN
+Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,TP
+COc1ccc(cc1)CN(N=O)C,FP
+CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,TP
+BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
+O=Cc1ccccc1O,TN
+COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,TP
+CCC1(C)CO1,TN
+O1CCOCCOc2c(OCCOCC1)cccc2,TN
+Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,TP
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,TP
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],TN
+CCN(N=O)CC,FN
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,TP
+OC1CCN(CC1)N=O,TP
+CCCCC(=O)Nc1snc2c1cc(Cl)cc2,TN
+OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,TN
+COc1cc(ccc1O)CC1CO1,TP
+OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,TN
+O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],TP
+CCCCCCC1OC1,FP
+Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,TP
+O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,NA
+O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,TN
+O=C/C(=C(/C(=O)O)\Cl)/C,TP
+CCS,TN
+OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,NA
+OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,TN
+Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,TP
+C[C@H](C(=O)Nc1ccccc1)Br,FN
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
+CC1c2ccccc2-c2c1cc(C)c(c2)C,TP
+CCOCC,TN
+Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,FP
+BrCC(C)(C)C,TN
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,TP
+COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,TP
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,TP
+Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,TP
+CCON(C(=O)c1ccccc1)OC(=O)C,TP
+OCC(C(C(C(C=O)O)O)O)O,TN
+Oc1cccc(c1)Cl,TN
+Nc1nnc(s1)S,TN
+Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,TP
+COc1nsc2c1cc(OC[C@H]1CO1)cc2,TP
+CNc1c(C)cc2c(c1N)cccn2,FP
+O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,FP
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,TN
+O=NN1CCC[C@@H]1c1cccnc1,FN
+Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,TP
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,TP
+C[C@@H]1O[C@H]1c1ccccc1,FP
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,TN
+CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,TP
+CCn1c(N)nc2c1ccc1c2cccn1,TP
+Cn1cc(cc(c1=O)Cl)C(F)(F)F,TN
+ON(c1ccc(cc1)Br)C(=O)C,TN
+CCCC[C@H](CO)CC,TN
+COc1ccc(cc1)/C=C/c1ccc(cc1)N,TP
ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,TP
-O=C/C=C/c1ccc(cc1)N(C)C,NA
-C/C=N/N(C=O)C,NA
-CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,NA
-COC(=O)C12OC2(C)C(OC1=O)C,NA
-O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,NA
-OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,NA
-Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,NA
-CC(S(=O)(=O)Cl)C,NA
-OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,NA
-O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,NA
-OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,NA
-COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,NA
-CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,NA
-O=CC=CNCCCCC(C(=O)O)N,NA
-CCCCCCCC1CCC(=O)O1,FP
-N#CCc1ccccc1,NA
-Nc1cnc2c(c1)nc1n2cccc1,NA
-ClCN1C(=O)c2c(C1=O)cccc2,NA
-CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,NA
-ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,NA
-c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,NA
-CC(=O)Nc1cccc2c1nccc2,NA
-[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,NA
-OCc1ccccc1[N+](=O)[O-],NA
-Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,NA
-COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,TP
-O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,NA
-Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-Cc1ccccc1OC[C@H]1CO1,NA
-CNC(=O)Oc1ccccc1OC(C)C,NA
-Nc1ccc(c(c1)C)c1ccc(cc1C)N,NA
-CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,NA
-COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,NA
-C=CC(=C)C,NA
-ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,TP
-OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,NA
-OC(=O)O,NA
-COP1(=S)OCc2c(O1)cccc2,NA
-C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,NA
-ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,NA
-CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,NA
-[O-][N+](=O)c1ccc(o1)C(=O)OC,NA
-ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,NA
-Nc1nccs1,NA
-O=NN(Cc1ccc(cc1)F)C,TP
-Clc1c(Cl)cccc1Cl,NA
-N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,NA
-OCCOc1ccccc1,NA
-CC(OC(=O)COc1ccc(cc1Cl)Cl)C,NA
-CCCCCCOC(=O)c1ccccc1,NA
-COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,NA
-COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,NA
-Nc1cc(Cl)c(c(c1)Cl)N,NA
-CNC(=O)/C=C(/OP(=O)(OC)OC)\C,TP
-COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,NA
-Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,NA
-CC1=CC(=O)c2c(C1=O)cccc2O,NA
-CCOC(=O)CC(=O)CCl,NA
-ClC(C(Cl)(Cl)Cl)(Cl)Cl,NA
-N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,NA
-C=CC1CC2CC1C=C2,NA
-O=NN(c1ccccc1)O,NA
-CNCCS(=O)(=O)O,NA
-CCOc1ccc(cc1)N,NA
-n1sc2c(c1)cc(cc2)OC[C@H]1CO1,NA
-CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,NA
-NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,NA
-C[C@H](c1ccccc1)O,NA
-CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,TP
-COC1C(COC2OC(CO)C(C(C2O)O)O)OC(C(C1O)O)COCC1C(CO)OC(C(C1O)O)CC,NA
-O=C(n1cncc1)n1cncc1,NA
-O/N=C/C=N/O,FP
-Clc1ccc2c(c1)nc([nH]2)N,NA
-O=C1N(C)CCCN1C,NA
-BrCc1ccc2c3c1-c1ccccc1-c3ccc2,NA
-Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,TP
-[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,NA
-O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,FP
-OCCOCCOCC,NA
-O=Nc1ccc(cc1)Nc1ccccc1,NA
-O=C/C=C/c1ccccc1[N+](=O)[O-],NA
-COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,TP
-OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,NA
-COc1cccc2c1nc(s2)N,NA
-Clc1cccc(n1)Cl,NA
-NCC(C)C,NA
-Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,NA
-Cc1c(N)ccc(c1C)N,FP
-O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,NA
-COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,NA
-CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,NA
-OC(=O)COc1ccc(cc1C)Cl,NA
-[O-][N+](=O)c1cccc2c1ccc1c2cccc1,NA
-ClCC(CCl)Cl,NA
-OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,NA
-OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,NA
-Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,TP
-COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,NA
-OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,NA
-COc1cc(F)ccc1[N+](=O)[O-],NA
-OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,NA
-ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,NA
-Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,NA
-CCC(=O)OCc1cccc(c1)[N+](=O)[O-],NA
-Nc1ccnc2c1cccc2,NA
-Cc1cc(ccc1N)c1ccccc1C,NA
-OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,NA
-N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,NA
-Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,NA
-Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,NA
-COc1ccc(c(c1)O)C(=O)c1ccccc1O,NA
-CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,NA
-Cn1c(N)nc2c1cc1ccncc1n2,NA
-OC(=O)C1OC1C(=O)O,NA
-S=C1NCCN1,NA
-ONc1cccc(c1C)C,NA
-Clc1cc(Cl)c(cc1O)Cl,NA
-Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,NA
-O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,NA
-COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,NA
-CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,NA
-Nc1ccccc1C(F)(F)F,NA
-Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],NA
-Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,NA
-N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,NA
-COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,NA
-ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,NA
-COc1cc(N)ccc1NC(=O)C,NA
-OCc1ccc(cc1)OC(=O)C,NA
-[N-]=[N+]=NC[C@@H](CO)O,NA
-Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,NA
-O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,NA
-COc1ccccc1CC1CO1,NA
-Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,NA
-COc1ccc(cc1)Nc1ccc(cc1)OC,NA
-CCCCN(C[C@@H](CC)O)N=O,NA
-O=C/C=C/C=C/C=O,NA
-OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,NA
-Cc1cccnc1,NA
-OCCN(CC)CC,NA
-O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],NA
-COc1c(N)cc(c(c1C)N)C,NA
-OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,NA
-CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,NA
-[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],NA
-CCCCCc1cc(O)cc(c1)O,NA
-O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,NA
-CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,NA
-Nc1ccc2c(c1C(C)(C)C)cccc2,NA
-CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
-CCC(=O)C=C,NA
-O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,NA
-Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,NA
-Fc1cccnc1,NA
-OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,FP
-CON,NA
-O=Cc1ccc(cc1)C,NA
-BrC(C1=C(Cl)C(=O)OC1O)Br,NA
-N#[N+]c1ccc(cc1)[N+](=O)[O-],NA
-C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,NA
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,NA
-CC(=O)c1ccncc1,NA
-CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,NA
-ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,NA
-N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,NA
-COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,NA
-OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,NA
-FC(=C)F,NA
-O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],NA
-CC(=O)NNc1ccccc1,NA
-Nc1cccc2c1nc1ccccc1n2,NA
-C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,NA
-COC(=O)C1=C(CC)C(OC1=O)C,NA
-Clc1cccc2c1cccn2,NA
-O=NN(CC(=O)C)C[C@H](O)C,NA
-CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,NA
-O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,NA
-Cc1cccc(c1)N,NA
-OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,NA
-O=NN1CCC(=O)NC1=O,NA
-O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,NA
-FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,NA
-CCCCN(CC[C@H](O)C)N=O,NA
-Cc1ccc2c(c1)cc1c(c2)cccc1,NA
-OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(/C=C/C(C2CC2)O)C)C)/C1,NA
-CC(=O)c1cccc(c1)[N+](=O)[O-],NA
-C=C[Si](Cl)(Cl)C,NA
-O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,NA
-OCc1c2ccccc2c(c2c1cccc2)C,NA
-c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,NA
-Cc1cccc2c1cc1ccccc1c2,NA
-BrCc1ccccc1[N+](=O)[O-],NA
-OCC(C(c1ccccc1)N=N#N)O,NA
-CCOCC,NA
-O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],NA
-[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,NA
-ClC(=O)c1ccccc1C,TP
-OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,NA
-CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,NA
-CCCON(C(=O)c1ccccc1)OC(=O)C,NA
-OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,TN
-CC(=O)c1ccccc1,NA
-CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,NA
-CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,NA
-CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,NA
-COc1ccc(cc1)CCC1OC1,NA
-[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,NA
-OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,NA
-Oc1nsc2c1cccc2,NA
-O=c1ccc2c(o1)c1ccoc1cc2,NA
-COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,NA
-ON(c1ccc(cc1)Cl)C(=O)C,FP
-OC(C1CO1)CO,NA
-Oc1ccc(cc1)O,FP
-CCN=NO,NA
-CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,NA
-O1C2C1C1N=NC2C2C1O2,NA
-CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,NA
-Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,FP
-CC(=O)Nc1ccccc1,NA
-CCCCN(CCCC)CCO,NA
-Cc1ccc2c(c1)c(N)sn2,NA
-Cn1c(N)nc2c1c1cccnc1cc2,NA
-Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,NA
-O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,NA
-COc1c2ccc(=O)oc2cc2c1cco2,NA
-Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,NA
-CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,NA
-BrC(Br)Br,NA
-OC(=O)c1ccccc1O,NA
-CN(C(=O)NC)N=O,NA
-Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,NA
-C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,NA
-CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,FN
-N=C(Nc1ccccc1)Nc1ccccc1,NA
-CCOC(=O)CC(O)C,NA
-CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,TP
-C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,NA
-Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,TP
-O=C1C=CC(=O)c2c1c(O)ccc2O,NA
-CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,NA
-C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,NA
-COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,NA
-[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,NA
-O1C[C@@H]1[C@@H]1OC1,NA
-c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,NA
-CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,NA
-Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,NA
-COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,NA
-CCCCCCCC/C=C/CCCCCCCC(=O)O,FP
-CN(C(=S)SNCCNSC(=S)N(C)C)C,NA
-CCOC(=O)C1C(C1(C)C)C=C(C)C,FP
-Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,NA
-O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,NA
-Nc1ccc2c(c1)s[nH]c2=O,NA
-CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,NA
-OCC#N,NA
-Nc1ccc(cc1)Oc1ccc(c(c1)N)N,NA
-OC(=O)[C@@H]1CSCN1,NA
-Cc1cnc2c(n1)cccc2,NA
-O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,FP
-OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,NA
-COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,NA
-Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,NA
-C=CCCC1CO1,NA
-COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,NA
-OCC1CCCO1,NA
-OCC1OC(Oc2ccc(cc2)N=Nc2ccc(cc2)N(C)C)C(C(C1O)O)O,NA
-CCN([N+](=NO)[O-])CC,NA
-Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,NA
-CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,NA
-CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,NA
-OCC12OOC2(C)c2c(O1)cccc2,NA
-O=C1NC(=O)C(=C1Cl)Cl,NA
-C=CCc1ccc(cc1)O,NA
-CCOC(=O)C=C,NA
-ClC[C@@H](CBr)Br,NA
-CCN(C(=O)Cc1ccccc1)CC,NA
-NC(=O)c1ccccc1C(=O)N,NA
-OCCO,NA
-O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],NA
-Fc1ccc2c(c1F)nccc2,NA
-Clc1ccc2c(c1)c(N)sn2,NA
-Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,NA
-O=c1nc[nH]c(=O)[nH]1,NA
-N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,NA
-Cc1cccc(c1)C(=O)O,NA
-C/C=C/c1cc(OC)c(cc1OC)OC,NA
-NN1C(=O)c2c(C1=O)cccc2,NA
-Nc1cc2nc3ccccc3nc2cc1N,NA
-CC(CCNc1snc2c1cccc2)C,FP
-Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,NA
-OC(=O)c1ccc(c(c1)N)C,NA
-COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,NA
-CCCCN(C[C@@H](CCO)O)N=O,NA
-Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],NA
-O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,TP
-c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,NA
-COc1ccc(c(c1)C)N,NA
-[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,NA
-OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,NA
-Cc1ncc[nH]1,NA
-Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,NA
-CCCCCN(N=O)CCCCC,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],NA
-CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,NA
-CCCCCCCCCCCCCl,NA
-ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,TP
-[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,NA
-[O-][N+](=O)c1ccc2c(c1)CCN2,NA
-O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],NA
-O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,NA
-ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],NA
-O=C1CCCC=C1,NA
-Cc1cccc2c1nc1c(c2)ccc2c1cccc2,NA
-O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],NA
-ClCCN(C(=O)NC1CCC(CC1)C)N=O,NA
-ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,NA
-COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,FP
-Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,FP
-Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],NA
-O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,NA
-O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],NA
-Nc1cccc2-c3c(Cc12)cccc3,NA
-O=Nc1[nH]cnc1c1ccccc1,NA
-OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,NA
-Cc1ccc2c(-c3ccccc3C2C)c1,NA
-COP(=O)(N1CCOCC1)OC,NA
-Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,NA
-C/C(=C/COC(=O)C)/CCC=C(C)C,NA
-[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,NA
-Cl/C=C(\SCc1ccccc1)/Cl,NA
-COC(=O)C(Cl)Cl,NA
-COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],NA
-CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,NA
-COc1ccc2c(c1)sc(n2)N,NA
-OCCN(C(=O)N)N=O,NA
-O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,NA
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],NA
-COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,NA
-CCCCCCCC(=O)Nc1snc2c1cccc2,NA
-COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,NA
-[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,NA
-OOC(C)(C)C,NA
-ClC(=C1OC(=O)C(=C1)Cl)Cl,NA
-O=C1CCCN1c1ncc(s1)[N+](=O)[O-],NA
-ONc1nc2c(n1C)cc(cn2)c1ccccc1,TP
-CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,NA
-OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,NA
-ClCCN(C(=O)NCC(=O)N)N=O,NA
-[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,NA
-CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,NA
-Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,NA
-O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,NA
-CC12OOC2(C)Oc2c1ccc1c2nccc1,NA
-CC(CCOC(=O)C)C,NA
-CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,TP
-COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,NA
-Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-N#N=Nc1nc2c([nH]1)cccc2,NA
+Oc1c2ccccc2cc2c1ccc(c2O)O,TP
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,TP
+N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,TP
+CC(C(=O)N(Cc1ccccc1)C)Br,TN
+CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,TN
+COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,TN
+O=Nc1n(C)cnc1c1ccccc1,TP
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,FN
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,TN
+COC(=O)c1cc2c([nH]1)c1ncccc1cc2,NA
+OC(=O)c1occ(c1c1ccccc1)c1ccccc1,TN
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,TN
+CC(=O)Nc1ccc(cc1)[N+](=O)[O-],FP
+NC(C(=O)O)CSC(C(Br)Cl)(F)F,FN
+[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,TP
+Oc1cccc(c1)Nc1ccccc1,FP
+BrC(=C)C=O,TP
+Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],TP
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,TP
+Oc1cc2ccccc2c2c1c1ccccc1cc2,FP
+Clc1nc2ccccc2nc1Cl,TN
+CCCCCCCCCCCC(=O)O,TN
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,FN
+COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,TP
+CC(=O)O,TN
+C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,TN
+COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,TN
+Nc1ccc(cc1C)S(=O)(=O)O,TN
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,FN
+O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],NA
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,TP
+c1ccc2-c3c(Cc2c1)cccc3,FP
+C[C@H](COC(C)(C)C)O,FN
+Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,TN
+FC(c1ccccc1)(F)F,TN
+ClCc1ccccc1[N+](=O)[O-],TP
+Nc1ncnc2c1nc[nH]2,TP
+Fc1ccccc1,FN
+O=NN(CC(=O)COC(=O)C)C,TP
+Cc1c2ccccc2cc2c1cccc2,TP
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,TN
+ClC(C(Cl)Cl)Cl,TN
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,TP
+Cc1cc2c(NC(=O)CCl)snc2cc1,TP
+Fc1cc2cccnc2c2c1nccc2,TP
+BrC(C1=C(Cl)C(=O)OC1)Br,TP
+O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,TP
+SCCc1cnccn1,TN
+CC12CCC(C2(C)C)CC1(C)O,TN
+COc1nsc2c1cccc2[N+](=O)[O-],TP
+c1cc(OCC2CO2)c2c(c1)cns2,TP
+Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,TP
+ClCCSCc1ccccc1,TP
+Cc1cccc2-c3c([C@H](c12)C)cccc3,TP
+[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,TP
+SC[C@@H](C(=O)O)NC(=O)C,FN
+Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],TP
+OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,TN
+OCCCCCCC/C=C/C=C/C,TN
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,TP
+OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,TN
+Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],TN
+[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,TP
+O=C(c1ccccc1N)OC/C=C/c1ccccc1,TN
+[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],TP
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],TN
+COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,NA
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],TN
+OCCCc1ccccc1,TN
+COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,TP
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+Cc1ccc(cc1)C,TN
+COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,TN
+COc1ccc(cc1)N.Cl,TP
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,TP
+Oc1nc2c(C)cccc2nc1O,FN
+BrCCCBr,FP
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+CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,TN
+CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,NA
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+COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,TN
+Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,NA
+ClC[C@@H](CBr)Br,TP
+C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,TN
+O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,FP
+COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,TN
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+O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,NA
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+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,TN
+ONc1ccc(cc1)Oc1ccccc1,TP
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+[S-]C(=S)NC.[Na+],TP
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+O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],TP
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+CCCCN(CCCC)CCCC,TN
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+OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,NA
+Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,TP
+NCCNCCNCCN,FN
+O=C(C(C)C)Nc1snc2c1cccc2,TN
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,TP
+COC(=O)c1ccc(cc1)CN(N=O)C,TN
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+OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,TN
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,TP
+CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,NA
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+OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,TP
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+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,TN
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+CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,TP
+C1C2SCC=CN2C1=O,FP
+CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,NA
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+C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,TN
+O=C(N(C)C)Nc1ccc(c(c1)Cl)C,TN
+c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,TP
+ClC/C=C\Cl,TP
+ClCc1ccccc1,TP
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,TP
+c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,TP
+O=C1c2ccccc2-c2c1ccc1c2cccc1,FN
+Nc1nc(nc(n1)Cl)NC(C)(C)C,TN
+Nc1ccccc1SCCSc1ccccc1N,TP
+COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+CC(=O)Nc1ccc(c(c1)N)C,TP
+OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,TN
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],TP
+CCCCCCCCCCCCCC(=O)O,TN
Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,NA
-OCc1ccc(cc1)Cl,NA
-CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,FP
-OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,NA
-CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,NA
-ONc1ccc(cc1)c1ccccc1,NA
-OS(=O)(=O)c1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],NA
-N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,NA
-O=C1c2cc(ccc2OC21CC2)C(=O)C,NA
-CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,NA
-ONc1ccc(c(c1)Cl)Cl,NA
-NC(=O)NNC(=O)N,NA
-OC1CCN(CC1)N=O,NA
-COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,NA
-[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,NA
-CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,NA
-CCCCN(CCCC)N,TN
-Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,NA
-Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,NA
-Cn1sc(cc1=O)Cl,NA
-Clc1cccc(c1)Br,NA
-CC(c1ccccc1)C,NA
-NC(=O)C=C,NA
-[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,NA
-OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,NA
-Cc1nc2c(s1)cccc2,NA
-O=NN1CSCC1,NA
-CC12OC1C1CCCCC1c1c2cccc1,NA
-CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,NA
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,NA
-Cl[C@@H]1CO1,NA
-Nc1ccc(cc1)/C=C/c1ccc(cc1)N,TP
-CC(Nc1nc(N)nc(n1)Cl)C,NA
-CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,NA
-[O-][N+](=O)c1cccc2c1nccc2,NA
-OC1C(O)C=Cc2c1cccn2,NA
-Cc1ccc2c(c1)cccn2,NA
-C1CCC2(CC1)CO2,NA
-C1CC[C@H]2[C@@H](C1)O2,NA
-Cc1cc(C)cc(c1)C,NA
-[O-][N+](=O)c1ccccc1Cl,NA
-Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,NA
-COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,NA
-O=NN(CC(=O)O)CC(=O)O,NA
-[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],NA
-COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],NA
-CC(=O)NNC(=O)c1ccccn1,FP
-O=C1NC(=O)C(=C(Cl)Cl)C1Cl,NA
-Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,NA
-Fc1cccc2c1c1cccnc1cc2,NA
-OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,NA
-CC(COC(=O)C(=C)C#N)C,NA
-CC(=O)OCc1ccc(cc1)[N+](=O)[O-],NA
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-O=C(C1OC1)Nc1ccccc1,NA
-CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,NA
-COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,NA
-[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,NA
-Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],NA
-CCc1cccc(c1NC(=O)C)CC,NA
-O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,NA
-[O-][N+](=O)c1[nH]cnc1c1ccccc1,NA
-CCCC(=O)OCCC(C)C,NA
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-[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],NA
-CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,NA
-O=CC(=C(Cl)Cl)Cl,NA
-NC(=O)N/N=C/C(=O)O,NA
-Fc1cnc2c(c1)c1ccccc1cc2,NA
-Clc1ccc(c(c1)Cl)C(=O)O,NA
-CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,NA
-OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,NA
-Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,NA
-CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,NA
-Cc1ccc(c(c1)N)O,NA
-ClCC1=CC(=O)OC1,NA
-Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,NA
-OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,NA
-COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,NA
-CCOC(=O)N(CCOC(=O)C)N=O,NA
-[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,NA
-Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,NA
-CCOc1ccccc1N,NA
-CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,NA
-O=C1NCCN1c1nccs1,NA
-OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,NA
-OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,NA
-Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],NA
-Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,TP
-OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],NA
-N#CC(=C(C#N)C#N)C#N,NA
-CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,NA
-C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,FP
-OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,NA
-CCSCCOP(=S)(OCC)OCC,TP
-Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,NA
-CC(=O)C(Cl)(Cl)Cl,NA
-CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,NA
-NC1c2ccccc2-c2c1cccc2,NA
-Cc1c[nH]cn1,NA
-CCCC[C@H](CN)CC,NA
-c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,NA
-Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,NA
-c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,NA
-C=C1[C@H]2CC[C@@H](C1(C)C)C2,NA
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-O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,NA
-C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,NA
-CC(=O)Nc1snc2c1cc(Cl)cc2,NA
-OC(=O)c1cc(Cl)cc(c1)Cl,NA
-C=CC(=C)Cl,NA
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-C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,NA
-[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,NA
-Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,NA
-CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,NA
-COc1nsc2c1cc(cc2)[N+](=O)[O-],NA
-C=CC=C,NA
-Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-C=CC(=O)NC(CC(=O)C)(C)C,NA
-CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,NA
-CCOP(=O)(SCCN(C(C)C)C(C)C)C,NA
-COc1cc(CNC(=O)C(Br)C)ccc1O,NA
-CN1CN(C)CSC1=S,NA
-CN1CN(C)CSC1=S,NA
-[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],NA
-OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,NA
-C=CCN(CC=C)N=O,NA
-OCc1ccc(cc1)F,NA
-COc1cc(Cl)c(cc1Cl)OC,NA
-CN(CCN(C)C)C,NA
-Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,NA
-NCC(=O)Nc1ccccc1,NA
-O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,NA
-N#Cc1cccc(c1)C#N,NA
-c1ccc(cc1)Oc1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)cc[nH]2,NA
-CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,NA
-Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,NA
-O=C=Nc1cccc(c1C)N=C=O,NA
-OCc1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,NA
-c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,NA
-[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],NA
-OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,FP
-Cc1ccc(cc1)C(O)(C)C,NA
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-[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,NA
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-OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,NA
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-[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,NA
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-[O-][n+]1ncc2c(c1)nccc2,FP
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-Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,NA
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-[O-][N+](=O)c1ccc2c(c1)CC=C2,NA
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-[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],NA
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-O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,NA
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+CCCCCCOC[C@H]1CO1,FN
CC1=CC(C)(C)Nc2c1cccc2,NA
-CCCCCCCCCCCCCC(=O)O,NA
-C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,NA
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-NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,NA
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-COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,NA
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-[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,NA
-COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,NA
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-[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,NA
-[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,NA
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-[O-][N+](=O)c1ccc(c(c1)O)N,TP
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-OC(=O)c1ccco1,NA
-[O-][N+](=O)OOC(=O)C,NA
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-OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,NA
-CCOC(=O)CC(C)C,NA
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-O=NN(C(=N)N[N+](=O)[O-])C,NA
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-O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,NA
-OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,NA
-Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,TP
-Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,NA
-Br[C@H](CBr)COC(=O)C=C,NA
-CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,NA
-Oc1ccccc1Cl,NA
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-[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],NA
-OCCN(N=O)CCO,FN
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],NA
-C=CC(=O)OCCN(C)C,FP
-ClCCNCCCl,NA
-O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,NA
-COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,NA
-Fc1ccc(c2c1ccc1c2cccn1)F,NA
-COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,NA
-Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,NA
-C1OCCO1,NA
-CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,NA
-COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,NA
-BrCC(CBr)Br,NA
-[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,NA
-CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,FP
-CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],NA
-CC(=O)Nc1ccnc2c1cccc2,NA
-CNP(=S)(N1CC1)N1CC1,NA
-BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,NA
-ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,NA
-Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,TP
-CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,NA
-CCCCN(CCCO)N=O,FN
-[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,TP
-CC(Br)Br,NA
-BrCCOC(=O)C=C,NA
-Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],NA
-OCCCCO,NA
-Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,NA
-COP(=S)(OC)Cl,NA
-O=C(c1ccc(cc1)Cl)NCOC(=O)C,NA
-[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],NA
-COc1cccc(c1O)C=O,NA
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,NA
-OCCc1c[nH]c2c1cccc2CC,NA
-CC12OOC2(C)c2c(O1)cccc2,NA
-COC(=O)c1ccccc1N,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,NA
-O=Cc1ccc(cc1)[N+](=O)[O-],TP
-Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,NA
-ICI,NA
-CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,NA
-N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,NA
-ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,NA
-BrC(C1=C(Br)C(=O)OC1O)Br,NA
-CC(=O)Nc1cccc(c1C(=O)O)N,NA
-OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,NA
-CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,NA
-C/C=C\C=O,NA
-OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,NA
-OC(=O)/C=C/c1ccc(c(c1)O)O,NA
-Fc1cnc2c(c1)c(F)ccc2,NA
-N#CCCC(=O)CCc1ccc(cc1)C(=O)O,NA
-CCCCCl,NA
-NNCCO,FN
-COc1cc(cc(c1O)OC)C(=O)C,NA
-N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-ClC(C[C@@H]1OC1)(Cl)Cl,NA
-CC(=O)OC=C,NA
-OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,NA
-C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,NA
-[O-][N+](=O)c1cccc(c1N)C,NA
-ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,NA
-C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,NA
-CCCN(CCCC(=O)O)N=O,NA
-OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,NA
-CCCCO,NA
-ICCc1ccccc1,FP
-O=NN(C(=O)O/N=C(\SC)/C)C,NA
-O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,NA
-ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,NA
-CCCCCCCCSCN1C=CN(C1)C,NA
-O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,NA
-O=S1(=O)CC=CC1,NA
-CCCCCCC=C,NA
-CCCCC1CO1,NA
-S=P(N1CC1)(N1CC1)N1CC1,NA
-Fc1c(F)c(F)c(c(c1F)Cl)F,NA
-CNP(=O)(N(C)C)N(C)C,NA
-Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,NA
-CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,NA
-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],NA
-ClCC#N,NA
-CN(CCN(c1ccccn1)Cc1cccs1)C,NA
-O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,NA
-[O-][N+](=O)c1cc2ccccc2c2c1cccc2,NA
-Oc1ccc(c2c1c(O)c1ccccc1c2O)O,NA
-C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,NA
-OC(=O)c1cccc(c1)[N+](=O)[O-],NA
-Clc1ccc(cc1N)C(F)(F)F,NA
-c1cnc2c(c1)C1OC1CC2,NA
-CCCCOC(=O)/C=C\C(=O)OCCCC,FP
-CCCCN(CCCC(=O)O)N=O,NA
-Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,NA
-C1CCC2(CO1)CO2,NA
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,NA
-CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,NA
-CC([N+](=O)[O-])(C)C,NA
-CCCCCCCCCC=C,NA
-CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,NA
-[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],NA
-CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,FP
-OCC(CBr)(CBr)CBr,NA
-Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,NA
-[O-][n+]1ncc2c(c1)ccnc2,NA
-COc1ccc(cc1)N=O,NA
-CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,NA
-N#CCCCCC#N,FP
-COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,NA
-ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,NA
-COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],NA
-[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],NA
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,NA
-CC(OC[C@@H]1OC1)C,TP
-Cc1ccccc1Cl,NA
-O=C1OC2=CCO[C@H](C2=C1)O,NA
-O=C=Nc1ccc(cc1)N=C=O,NA
-COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,NA
-CCCCOCCOCCOCCCC,NA
-C=Cc1ccccn1,NA
-CN(CCOC(=O)C(=C)C)C,TP
-ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,TP
-COc1cccc2c1C1(C)OOC1(O2)C,TP
-Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,NA
-Cc1ccc2c3c1ccc1c3c(C2)ccc1,NA
-Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,NA
-Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,NA
-CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,NA
-N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,NA
-Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-Br/C(=C\c1ccccc1)/[N+](=O)[O-],NA
+CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,FP
+CC(COC(=O)C(=C)C)C,TN
+CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,TP
+CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,TN
+ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,FN
+CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,FN
+COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+OC(=O)CCl,FP
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,TN
+Cc1cnc(c(n1)C)C,TN
+Nc1cccc2-c3c(Cc12)cccc3,TP
+C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,FN
+COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],TN
+O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,TN
+O=NN(Cc1ccc(cc1)F)C,TP
+CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,TN
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,TP
+OCCCCO,FP
+COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,TN
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,TN
+OCCCCN(N=O)C,TP
+Clc1ccc(c(c1)N)[N+](=O)[O-],TP
+COP(=S)(SC(C(=O)O)CC(=O)O)OC,TN
+C#CCOCC[n+]1ccccc1/C=N/O,NA
+O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,TP
+C1CCC2(CC1)CO2,TN
+OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,NA
+O=NN(C(=O)N)CCC(=O)O,FN
+[O-][n+]1ncc2c(c1)ccnc2,TN
+COC(=O)C1=CCCN(C1)C,TP
+COc1ccc(cc1)N,TP
CC(Cl)C,FN
-CCO,NA
-O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,NA
-OC(=O)C[C@@H](C(=O)O)C,NA
-OC[C@@H]1SCCN1N=O,NA
-OCCNC(=O)C(O)C,NA
-Cc1cc2c(c3c1cccc3)ccc1c2cccc1,NA
-O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,NA
-OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,NA
-Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,NA
-CC(=O)OCCOCCOCCOC(=O)C,NA
-CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,NA
-Oc1ccc(cc1O)C(C)(C)C,NA
-Clc1ccc2c(c1)cccc2,NA
-CCCCCC(=O)OCC,NA
-OCC(C)C,TN
-OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,NA
-CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,NA
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,NA
-O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,NA
-c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,NA
-COS(=O)(=O)C(F)(F)F,NA
-NNC(=O)c1ccncc1,NA
-CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,NA
-COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,TP
-c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,NA
-CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,NA
-C[C@H](C(=O)NCC(=O)O)S,NA
-COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,FP
-OC(=O)Cc1ccccc1[N+](=O)[O-],NA
-OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,NA
-CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,NA
-COS(=O)(=O)C,NA
-Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,NA
-[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,NA
-FC(C(F)(F)F)Cl,NA
-CCCCCCCCCCCCOS(=O)(=O)O,NA
-C[C@@H]1CCC(=C(C)C)C(=O)C1,NA
-CC(=O)c1cccc2c1OC1(C2(C)OO1)C,NA
-BrCc1c2ccccc2cc2c1c1ccccc1cc2,TP
-ClCC=O,NA
-CCC(Nc1snc2c1cccc2)C,NA
-OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,TP
-NC(=O)Nc1ccc(cc1)C,FP
-CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,NA
-ClCCC(=O)N(c1snc2c1cccc2)C,NA
-CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,NA
-NC(=O)Nc1cccc2c1nccc2,NA
-c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,NA
-OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,NA
-CC1CCCO1,NA
-O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,NA
-NC(=O)N,NA
-Oc1ccc(cc1)[N+](=O)[O-],NA
-C[C@H]1CC(=O)O1,NA
-CSCCC(C(=O)O)N,NA
-O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],TP
-ONc1nc2c(n1C)ccc1c2nc(C)cn1,TP
-ClC(C(=CC(=O)O)C(Cl)Cl)Cl,NA
-O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,NA
-CC1(C)C2CCC3(C1C2)CO3,FP
-Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,NA
-Ic1ccc2c(c1)c(N)c1c(n2)cccc1,NA
-O=NN(C(=O)N)CC(=O)O,NA
-O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,NA
-CCCCCC[N+](=O)[O-],NA
-CN(C(=O)OCC)N=O,NA
-O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,NA
+Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,TN
+CNc1ccc(cc1)[N+](=O)[O-],TP
+CC(F)(F)F,TN
+COC(=O)c1ccccc1O,FN
+CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,TN
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+CC/C=C\C#N,TN
+O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,FP
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+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,TN
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+NC(C(=O)O)CS/C=C/Cl,FN
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+[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],TP
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,FP
+OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,TN
+OC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)C(=O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(=O)C2)C,TN
+[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,FP
+Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,NA
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+BrN1C(=O)CCC1=O,TP
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+Cc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,TP
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,TP
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+CC(=O)OCC12OOC2(C)c2c(O1)cccc2,TP
+C1CCC=CC1,TN
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+Cc1ccc2c(c1)c(C)c1c(c2)cccc1,TP
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+O=C(c1ccccc1N)OCCc1ccccc1,NA
+Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,TP
+O=NN(C(=O)O/N=C(\SC)/C)C,FN
+O=c1nc[nH]c(=O)[nH]1,TN
+O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,TN
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+C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,TN
+Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,TN
+O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,TP
+CS(=O)(=O)C,TN
+CC1(OC1)c1ccc(cc1)Cl,FN
+CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,TN
+OC(C(F)(F)F)C(F)(F)F,TN
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+Nc1ccc2c(c1)c(Cl)ns2,FN
+BrCCCCCBr,TP
+Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,TP
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,TP
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+CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,TP
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+COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,TN
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+N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,NA
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
+NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,NA
+CCOc1cccc(c1)N,FN
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,TP
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-[O-][N+](=O)c1nccn1C,NA
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-Oc1cccc2c1C(=O)c1ccccc1C2=O,NA
-NCCNc1cccc2c1cccc2,NA
-SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,NA
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-O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,NA
-CC(=O)OO,NA
-COCCOCCOC,NA
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-OC(=O)CCCC[C@H]1SSCC1,NA
-Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,NA
-SCCc1cnccn1,NA
-Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],NA
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-N/N=c/1\sc2c(n1C)cccc2,NA
-Oc1cccc2c1ccc1c2ccc2c1cccc2,NA
-OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,NA
-OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,NA
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-CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,NA
-NC1CCCC(C1)N,TN
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-CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,NA
-CC(=C)[C@@H]1CC=C([C@H](C1)O)C,NA
-C=CCOC(=O)CC(C)C,NA
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,NA
-BrCc1ccc(cc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,NA
-Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,NA
-OC(=O)CCc1c[nH]c2c1cccc2,NA
-OCc1ccnc2c1cccc2,NA
-O=CN(C(=O)N(C)C)C,NA
-ONc1ncnc2c1ncn2C,NA
-O=C1OC(=O)c2c1cccc2,NA
-N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-OCc1ccc2c3c1-c1ccccc1-c3ccc2,NA
-NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,NA
-[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],NA
-NC(C(=O)O)CSC(=O)NCCCl,NA
-[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,NA
-CCCCOCCOCCSC#N,NA
-c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,NA
-CCCCN,TN
-[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],NA
-O(Cc1ccccc1)CC1OC1,NA
-Nc1scc(n1)c1cccnc1,NA
-O=C(Cc1ccccc1)OCc1ccccc1,FP
-O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,TP
-O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,NA
-[O-][N+](=O)c1ccc2c3c1cccc3C=C2,NA
-ClCc1cccnc1,NA
-N[C@@H]1C[C@H]1c1ccccc1,NA
-Cc1cccc2c1ccc1c2cc2c(c1)cccc2,NA
-ClCc1ccccc1,NA
-FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,NA
-O=CN(c1ccc(cc1)[N+](=O)[O-])O,NA
-COC(=O)C(Cl)C,NA
-CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,FP
-C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,FP
-CCN(CCCC(=O)O)N=O,NA
-CC(=O)OCc1cccc(c1)[N+](=O)[O-],NA
-OCCc1ccc(cc1)[N+](=O)[O-],NA
-NCC=C,NA
-CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,NA
-COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,NA
-C[N+]1=CC=C(CC1)c1ccccc1,NA
-Oc1cccc2c1nccc2,NA
-O=NN(C(=O)C)C,NA
-c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,TP
-Clc1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,NA
-CCN(C(=O)c1cccc(c1)C)CC,NA
-Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,NA
-OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,NA
-Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,NA
-[O-][N+](=O)c1ccc(c(c1)Cl)Cl,NA
-Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,NA
-OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,NA
-ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,NA
-CCCCON(C(=O)c1ccccc1)OC(=O)C,NA
-c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,NA
-OC1C(O)C(OC1n1cnc2c1ncnc2O)COP(=O)(O)O,NA
-CC(OP(=O)(F)C)C,FP
-[O-][N+](=O)CCl,NA
-Cn1c(N)nc2c1cc1ccccc1n2,NA
-CCCCCCc1ccc(cc1O)O,NA
-CC(C(=O)O)N,NA
-Cc1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-ClCc1ccc(cc1)Br,NA
-BrCCBr,NA
-ClC(=O)c1ccccc1,NA
-CCCCOC(=O)c1ccc(cc1)N,NA
-OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,NA
-Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,NA
-ClC(C#N)Cl,NA
-CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,NA
-OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,NA
-Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,NA
-ONc1nc2[nH]c3c(c2cc1C)cccc3,TP
-O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,NA
-ClCCCC(=O)N(c1snc2c1cccc2)C,NA
-OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,NA
-CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,NA
-Clc1c(Cl)ccc(c1Cl)Cl,NA
-Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,NA
-CCSCSP(=S)(OCC)OCC,NA
-COC(CC(=O)C)(C)C,FP
-N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,TP
-c1ccc(cc1)c1ccccc1c1ccccc1,FP
-OC(=O)c1cccc(c1Cl)Cl,NA
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-C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,NA
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-O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,NA
-O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],NA
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-O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,NA
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-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],NA
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-OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,NA
-CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,NA
-CCCCCCCCC=C,FP
-Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,NA
-OC(=O)c1ccc(cc1)Cl,NA
-COc1ccc(cc1)CN(N=O)C,NA
-CCc1nccc(c1)C(=S)N,NA
-[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],NA
-C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,NA
-Cl[C@H](C#N)Br,NA
-ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,NA
-COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,NA
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-OCCN1CC1,NA
-Nc1ccc(c(c1)[N+](=O)[O-])N,NA
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-OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,NA
-O1C[C@@H]1COc1ccccc1,NA
-Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],NA
-CCN1CCOCC1,NA
-COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,NA
-O=C1NC(=O)c2c1cccc2,NA
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+Oc1ccccc1c1ccccc1,TP
+NNc1ccccc1.Cl,TP
+CC(=C)[C@@H]1CC=C([C@H](C1)O)C,TN
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,TP
+ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,FN
+Nc1ccc(cc1)/C=C/c1cccc(c1)N,TP
+CCCCN(CCCC)N,TN
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+CN(c1ccncc1)C,TN
+Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,TP
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,FP
+O=NN1CCN([C@H](C1)C)N=O,TP
+CCOC(=O)CNC(=O)C(Br)C,TP
+COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,TN
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+O=C(C1OC1)NCc1ccccc1,TP
+CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,TN
+OCC12OOC2(C)c2c(O1)cccc2,FP
+CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,TP
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,NA
+O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,TN
+CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,TN
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,TP
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,TN
+Oc1ncc(cc1N)c1ccncc1,NA
+O=C(c1ccccc1O)Oc1ccccc1,TN
+CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,TN
+OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,FP
+ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,TP
+CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,FN
+N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,TN
+O=C/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,FN
+OS(=O)(=O)O.Nc1ccc(c(c1)C)N,TP
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,TP
+N[C@H](C(=O)O)CSCCCl,FN
+O=C1N(C)CCCN1C,TN
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+Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,TP
+Cc1c(C)cccc1O,TN
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+COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,TN
+CNC(=O)Nc1ccc(cc1)Br,TN
+OC(=O)C(CSC(=C(Cl)Cl)Cl)N,TP
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,TP
+CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,TN
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+ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,FP
+CN(CCN(c1ccccc1)Cc1ccccc1)C,TN
+[O-][n+]1cccc(c1)C1CCC(=O)N1C,TN
+O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,TP
+O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,TP
+CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,NA
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,TN
+OC1=C(O)C(=O)C1=O,TN
+CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,TN
+C1CC[C@@]2(CO1)CO2,TP
+O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,TN
+[O-][N+](=O)[CH-]CCC,FP
COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],TP
-Nc1cccc2c1cc1ccccc1c2,TP
-CSCC(C(=O)O)N,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-CC(=O)[C@H](O)C,NA
-CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,NA
-OC(=O)c1cccc(c1)C(=O)O,NA
-CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,NA
-c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,NA
-COc1c2cc3OCOc3cc2nc2c1cco2,NA
-c1ccc2c(c1)cc1c3c2C=Cc3ccc1,NA
-CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,NA
-[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],NA
-CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,NA
-COc1cc(N)c(cc1N)C,NA
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,FP
-CC(=O)Nc1cccc(c1)C,NA
-COc1nncc2c1ccnc2,NA
-Nc1ncnc2c1ncn2C,TP
-CN(c1ccc2c(c1C)nc(c(n2)C)C)C,TP
-[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,NA
-CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,NA
-OCCc1ccccc1[N+](=O)[O-],NA
-Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,NA
-O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,NA
-C[C@H]1CN1,NA
-Oc1ccnc2c1cccc2,NA
-[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],NA
-O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,NA
-CC(=O)Nc1ccc(cc1)S(=O)(=O)N,NA
-CC(=O)Nc1snc2c1cc(Cl)cc2Cl,NA
-Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,NA
-CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,FP
-CCOCCOCC,NA
-O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],TP
-CCCCCC(/C=C/C=O)O,NA
-OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,NA
-CCOc1ccc(cc1)NO,NA
-CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,NA
-O=C1C[C@H]2C([C@]1(C)CC2)(C)C,NA
-O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,NA
-O=C1C(=O)c2c3c1cccc3ccc2,NA
-CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,NA
-c1ccc2c(c1)nc1c(c2)cccc1,NA
-OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,NA
-ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,NA
-Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,NA
-Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],NA
-OCNc1ncnc2c1ncn2C1OC(C(C1O)O)CO,NA
-CNC[C@H](c1cccc(c1)O)O,NA
-NC(C(=O)O)CSC(C(Cl)Cl)(F)F,NA
-Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,NA
-COc1ccc2c(c1)nc([nH]2)N,NA
-CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,NA
-[O-][N+](=O)c1ccc(cc1)c1ccccc1,NA
-OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,TP
-OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,NA
-NC(C(=O)O)CCS/C(=C/Cl)/Cl,NA
-CCOC(=O)C[n+]1csc2c1cccc2,NA
-[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,NA
-CCOC(=O)OCC,NA
-NCCc1c[nH]c2c1cc(O)cc2,NA
-OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,NA
-O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,NA
-O=NN1CCCN(CC1)N=O,NA
-[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,TP
-CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,NA
-OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,NA
-Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,NA
-COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],NA
-c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,NA
-OC(=O)c1ccc(o1)[N+](=O)[O-],NA
-O1C[C@@H]1c1ccccc1,NA
-CN(CCCNc1c2ccccc2nc2c1cccc2)C,NA
-CC1OC(C)CN(C1)N=O,NA
-[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],NA
-[O-][n+]1cccc2c1cccc2,FP
-c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,NA
-FC(C(Cl)(F)F)(Cl)F,NA
-O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,NA
-[O-][N+](=O)c1ccc2c(c1)csn2,NA
-CCCCCCCCCCCC(=O)N(CCO)CCO,FP
-Fc1cc2cccnc2c(c1)F,NA
-Brc1ccc2c(c1)[nH]c(c2)C(=N)N,NA
-CCNc1cccc(c1)O,NA
-C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,NA
-COc1cccc2c1OC1(C2(C)OO1)C,NA
-CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,NA
-COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,NA
-ONc1nc2c(n1C)ccc1c2cccn1,TP
-Oc1ccc2c(n1)cccc2,NA
-Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,NA
-Cc1ccc(c(c1)O)N,NA
-Nc1[nH]cnc2-c1ncn2,NA
-Cc1ccc(c(c1)N)N,NA
-c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,NA
-C=CC(=O)OCCCCOC(=O)C=C,FP
-O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,NA
-C=C[C@H](c1ccc2c(c1)OCO2)O,NA
-ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,TP
-CC(=O)ON(c1ccccc1C)C(=O)C,NA
-OCP(CO)(CO)CO,NA
-OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,NA
-COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,NA
-NC(=O)NCC(=O)O,NA
-CNCCO,NA
-CCN(S(=O)(=O)c1ccc(cc1)N)CC,NA
-OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],NA
-C/C=C\c1ccc(c(c1)OC)O,NA
-CCN(CC)N,NA
-OC1C(O)C(Oc2ccc3c(c2)c2ccc4c5c2c(c3)ccc5ccc4)OC(C1O)C(=O)O,NA
-O=S1(=O)CCCCO1,NA
-ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,NA
-OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,NA
-c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,NA
-C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,NA
-ClC(=C1C=CC(=O)O1)Cl,NA
-CC(NCC(c1ccc(c(c1)O)O)O)C,NA
-[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,NA
-ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,NA
-CCSCC[C@@H](C(=O)O)N,FP
-c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,NA
-COC1OC(=O)C(=C1C(Cl)Cl)Cl,NA
-ClC1CCN(CC1)N=O,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,NA
-ONc1[nH]cnc2-c1ncn2,NA
-CCOC(=O)c1ccccc1C(=O)OCC,NA
-CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,NA
-c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,NA
-Nc1nc(N)nc(n1)Cl,NA
-Nc1cccc2c1cccc2,NA
-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],NA
-ClC(=O)OCc1ccccc1,NA
-COC1=C(OC)C(=O)C(=CC1=O)C,NA
-Brc1ccc2c(c1)c(N)c1c(n2)cccc1,NA
-C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,NA
-[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,NA
-[O-][N+](=O)C1CCCC1,NA
-CC(c1ccc2c(c1)ccc1c2cccc1C)C,NA
-CNC(=O)ON(C(=O)NC)C(=O)C,TP
-O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,NA
-ClCCN(c1cnc(nc1O)O)CCCl,NA
-CCCCCCCCCCCCCO,NA
-NNc1nncc2c1cncc2,NA
-CC(COC(=O)Cc1ccccc1)C,NA
-CCCCCCCCCCCl,NA
-[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,NA
-CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,NA
-O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,NA
-CC(=O)Cl,NA
-Clc1ncccc1Cl,NA
-OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,NA
-Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,TP
-COc1ccc2c(c1)nc1c(c2OC)cco1,NA
-COP(=O)(SC)SC,NA
-COCCOCCO,NA
-Nc1cc2ccccc2cc1N,NA
-Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,NA
-CCOP(=O)(N(C)C)C#N,NA
-ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,NA
-O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,NA
-OC[C@H]1CO1,NA
-[O-][N+](=O)c1ccccc1C(=O)N,NA
-OC(CN=N#N)CN=N#N,NA
-COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,TP
-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],NA
-ClCc1ccc(cc1)C(F)(F)F,NA
-Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,TN
+COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,TN
+BrC(C1=C(Cl)C(=O)OC1O)Br,TP
+CCCCN=NC(OO)(C)C,TP
+Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,TN
+Nc1ccc2c(c1)nc1c(n2)cccc1,TP
+Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
+COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,TN
+Nc1ccc(cc1)CCc1ccc(cc1)N,TP
+Cc1cc2ccccc2c(c1)C,FP
+C=CCN1C2C1c1ccccc1-c1c2cccc1,TP
+C1CCCCC1,TN
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,TP
+Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
+CCOc1ccc(cc1)[N+](=O)[O-],TP
+CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,TN
+S=C(NC1CCCCC1)NC1CCCCC1,TN
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,FP
+CC(=O)OCN(N=O)CCCl,TP
+CCCCCCCCCCCCO,TN
+CC(=O)Nc1ccc2c(c1)cccn2,FN
+[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],TP
+OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],TP
+CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,TN
+NCCS,TN
+ClCC1=C(Cl)C(=O)O[C@H]1O,TP
+OC(=O)CCC(=O)O.[Na+].[Na+],TN
+NS(=O)(=O)c1cccc2c1nccc2,TN
+BrCC(=O)NCc1ccccc1,TP
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,TP
+O/N=C/C1N(CCN(C)C)C=CN1C,TN
+ONc1ccc(cc1)C,TP
OC1C=Cc2c(C1O)ccc1c2cccc1,TP
-Clc1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,NA
-[O-][N+](=O)c1nc2c(n1C)cccc2,NA
-BrC[C@H]1CO1,NA
-ClCCCC(=O)N(c1snc2c1cccc2)CC,NA
-CSCNc1ccccc1,TP
-[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,NA
-ClCCOC(=O)Cl,NA
-O=C(C(C)C)Nc1snc2c1cccc2,NA
-CC(=O)OCc1ccccc1[N+](=O)[O-],NA
-CN(N=Nc1ccccc1)C,NA
-CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],NA
-O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,NA
-Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],NA
-CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,NA
-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,NA
-OC(=O)C(Cc1ccc(cc1)O)N,NA
-BrCCSCC(C(=O)OC)NC(=O)C,NA
-BrCC(=O)c1ccc(cc1)c1ccccc1,NA
-O=C(Nc1ccc(cc1)O)CC(=O)C,NA
-O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,NA
-OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,NA
-CC(=O)N1CNC(=O)N(C1=O)C(=O)C,NA
-CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,NA
-OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,NA
-O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,NA
-CCCCCCCCCCCCCC=C,NA
-[O-][N+](=O)c1cccc2c1c(C)ccc2,NA
-NC(=S)NNC(=S)N,NA
-ONc1ccc(cc1)N=Nc1ccccc1,NA
-O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,NA
-Nc1nc(O)c2c(n1)nn[nH]2,NA
-CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,NA
-CCCC(=O)Nc1snc2c1ccc(c2)Cl,NA
-[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,TP
-O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,NA
-Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,NA
-CCCCCC,NA
-[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],NA
-ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,NA
-OCC(Cl)Cl,NA
-CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,NA
-CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,NA
-CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,TP
-CC1=CC(=O)CC(C1)(C)C,NA
-OC(=O)CC[C@@H](C(=O)O)N,NA
-ClCCN(P1(=O)OCCCN1CCCl)CCCl,NA
-O=Cc1ccc2-c1cocc2COC(=O)C,NA
-ClCC(C(Br)(C)C)Br,NA
-Cc1ccccc1c1nc2c(o1)cccc2,NA
-COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,NA
-O=NN(Cc1ccccc1)C,NA
-[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,NA
-Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,NA
-Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,NA
-O=C(Nc1c(C)cccc1C)CN1CCCC1=O,FP
-C=C[C@@](CCC=C(C)C)(O)C,NA
-CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,TP
-COc1c2cc(OC)ccc2nc2c1cco2,NA
-CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,FP
-c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,NA
-CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-c1ccc2c(n1)c1CCC3C(c1cc2)O3,NA
-[C-]#N,NA
-COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],NA
-Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,NA
-[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,TP
-Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,NA
-CCc1ccccc1[N+](=O)[O-],NA
-ClC(c1ccccc1)C(=O)Cl,NA
-OC(=O)Cc1ccc(cc1)N,NA
-CCCSC(=O)Cl,NA
-[O-][N+](=O)NC(=N)NC,NA
-[O-][N+](=O)NC(=N)NC,NA
-Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,NA
-COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,NA
-COCC12OOC2(C)c2c(O1)cccc2,NA
-Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-O1COCOC1,NA
-OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO,NA
-Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,NA
-[O-][N+](=O)c1cc2c(N)snc2cc1,NA
-C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,NA
-Cl[C@@H](C(F)(F)F)Br,NA
-NCCNCCNCCN,TP
-CN(c1ccc(cc1)N=Nc1ccccc1)C,TP
-CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,NA
-C=CCCCC[C@@H]1OC1,TP
-NCCCN,NA
-C1CC=C2C(C1)CCc1c2cccc1,NA
-Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-ClCc1ccccc1CCl,NA
-Cn1cnc(c1c1ccccc1)[N+](=O)[O-],NA
-Cc1cc2-c3ccccc3Cc2cc1C,NA
-O=Nc1ccc2-c3c(Cc2c1)cccc3,NA
-Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,NA
-Nc1ccc(cc1)Oc1ccc(cc1)N,NA
-OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,TP
-Cc1ccc(cc1)[C@H]1OC1,NA
-N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,NA
-c1cc[n+]2c(-c3cccc[n+]3CC2)c1,NA
-OC(=O)c1cccnc1,NA
-Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,NA
-OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,NA
-NC(C(=O)O)CS/C=C/Cl,TP
-Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,NA
-O=c1[nH][nH]c(=O)c2c1cccc2,NA
-[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,NA
-CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,NA
-Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,NA
-C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,NA
-c1ccc2c(c1)Sc1c(N2)cccc1,NA
-c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,NA
-CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,NA
-c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,NA
-Brc1ccc(cc1)[N+](=O)[O-],NA
-ClCCCl,NA
-ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,NA
-CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,NA
-COc1cc2c(cc1OC)nc1c(c2O)cccc1,TP
-O=C/C(=C(/C(=O)O)\Cl)/C,TP
-OCCN1CCNCC1,FP
-Cc1cc2ccccc2c2c1cc1ccccc1c2,NA
-O=CC1C=COC=C1,FP
-CN(C=O)N,TN
-NC(=O)c1ccc(cc1)[N+](=O)[O-],NA
-CCCC(=O)O,FP
-OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,NA
-Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,NA
-Nc1ccc2c(c1)c1ccccc1n2C,NA
-NC(=O)N=NC(=O)N,NA
-CC([N+](=O)[O-])(Cl)Cl,NA
-O=C1OCC1(C)C,NA
-OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,NA
-NCCNCCNCCNCCN,NA
-Oc1ncc2c3c1ccc1c3c(cc2)ccc1,NA
-COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,NA
-ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,NA
-O=C1NS(=O)(=O)c2c1cccc2,NA
-C[C@H]1CCOS(=O)(=O)O1,NA
-Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,NA
-CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,NA
-CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,TP
-COO,NA
-N[C@H](C(=O)O)CSCc1ccccc1,NA
-SC(=N/C=C/N=C(S)S)S,NA
-OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCC(N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,NA
-Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,NA
-CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,NA
-CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,NA
-OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,NA
-CC1CCCC2(C1(O)CCCC2)C,NA
-Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,NA
-Cc1ccc2c(c1)c(N)c1c(n2)cccc1,NA
-Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,FP
-COC(C(Cl)Cl)(F)F,NA
-[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,TP
-O=CC(=O)O,NA
-Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,NA
-CC(=O)CCOOCCC(=O)C,NA
-c1ccc(cc1)C(c1ccccc1)c1ccccc1,NA
-OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,NA
-O=NN(Cc1ccc(cc1)C(=O)O)C,FP
-NC(C(=O)O)CCCCNCC(C(=O)O)N,NA
-O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,NA
-Clc1cccc2c1cccc2,NA
-CNNCc1ccc(cc1)C(=O)NC(C)C,NA
-CCN1CCNC(=O)C1=O,NA
-[O-][N+](=O)c1cccc2c1cccc2,NA
-OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],NA
-[O-][N+](=O)c1cccc2c1c1ccccc1o2,NA
-Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,NA
+N#Cc1ccc(cc1)C1(C)OC1,TP
+NCCNCCO,FN
+O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,TN
+FC(C(C(Cl)(F)F)(F)F)Cl,TN
+CCCCN(CCCCO)N=O,TP
+C[N+]1(C)CCCCC1.[Cl-],TN
+OCC(Cl)(Cl)Cl,TP
+Fc1cccc2c1cccn2,TP
+Oc1c2ccccc2nc2c1cccc2,FP
+C/C(=C\C)/CCl,FN
+O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,TN
+Clc1ccc(cn1)Cl,TN
+O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,TP
+CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,TP
+Fc1cccc2c1nccc2,TP
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,TP
+Brc1ccccc1,TN
+OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,TN
+[O-][N+](=O)c1ccccc1Cl,FN
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+[O-][N+](=O)c1ccccc1C(=O)Cl,TP
+[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
+O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,NA
+Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,FP
+O=C1NS(=O)(=O)c2c1cccc2,TN
+CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,TN
+CN1CN(C)CSC1=S,NA
+CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,TN
+CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,TN
+BrC[C@H](c1ccccc1)Br,FN
+OC(=O)C(=O)O,TN
+OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,TP
+Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+OC(CN=[N+]=[N-])CN=[N+]=[N-],TP
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,TP
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,TP
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,TP
+O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,TP
+Oc1ccc2c(c1)[nH]c1c2ccnc1C,TP
+[O-][n+]1cccc2c1c(O)ccc2,TN
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,TN
+C/C=C\C=C/C(=O)O,TN
+OCCCCCCCCCCCCCCCCCC(=O)O,TN
+COc1ccc(cc1)CNC(=O)[C@H](Br)C,TP
+CSSC,FP
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,TP
+CCN(C(=N)N[N+](=O)[O-])N=O,TP
+Brc1ccc2c(c1)C1OC1C1C2CCCC1,TN
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,TP
+OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,FP
+OC(=O)C(CC(=O)O)CC(=O)O,TN
+O=Nc1ccc2c(c1)cccc2,TP
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,TP
+CN=NO,TP
+COc1cc(CNC(=O)C(Br)C)ccc1OC,TP
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,TN
+CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,TN
+CC[C@H]([C@@H](CO)C)C,TN
+OC(=O)/C=C\C(=O)O,TN
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],FN
+Clc1ccc2c(c1)nc([nH]2)C,TP
+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,TP
+Nc1ccc(cc1N)c1ccc(c(c1)N)N,TP
+CCCCOC(=O)c1ccccc1C(=O)OCCCC,TN
+[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,TP
+CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],TP
+CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,TN
+O=Cc1ccc(cc1)Cl,TN
+CC(C(C)C)C,TN
+C/C=C/c1cc(OC)c(cc1OC)OC,FN
+Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,TN
+O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,FN
+COc1nncc2c1cccn2,TN
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],TP
+O=c1oc2cccc3c2c2c1cccc2cc3,FP
+O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,TP
+NCCCCC(C(=O)O)N,FN
+CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,TP
+CCCCCCCCCCSCn1cc[n+](c1)C,FN
+COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,TP
+CC[N+](=NC)[O-],TN
+CCC(Nc1snc2c1cccc2)C,TN
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,TN
+C[C@@H]1CC[C@H](C(=O)C1)C(C)C,FN
+C=Cc1ccccn1,TN
+CS(=O)(=O)O,TN
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,FN
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,TP
+CCCBr,FP
+OCc1nc(Nc2ccccc2)nc(c1)C1CC1,NA
+C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,TP
+Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,TN
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,TN
+Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],NA
+COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,TP
+CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,NA
+OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,FP
+OCc1c2ccccc2c(c2c1cccc2)C,TP
+OC(=O)c1ccc(cc1N)S(=O)(=O)C,TN
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,FN
+O=NN1CCC(=O)NC1=O,TP
+Cc1c(C)c(Br)c(c(c1Br)Br)Br,TN
+OC(=O)/C=C/C(=O)CC(=O)C,TN
+O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
+COC(=O)Nc1nc2c([nH]1)cc(cc2)O,NA
+OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,TN
+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,TP
+O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,TN
+COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
+CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,TN
+COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,TP
+O=C1C=CC(=O)c2c1c(O)ccc2O,TP
+C=CC(=O)OCCCCCCOC(=O)C=C,TN
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,TN
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,FP
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,TP
+ONc1ccc(cc1)Sc1ccccc1,TP
+COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,TP
+OC(=O)[C@@H](CCl)Cl,FP
+O=Nc1ccc(cc1)C(=O)C,TP
+Nc1c2CCCCc2nc2c1cccc2,TP
+NC(C(=O)O)Cc1ncn[nH]1,TN
+COc1c2ccccc2nc2c1cco2,TP
+CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,TP
+C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,TN
+c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,NA
+COC(=O)C1=C(CC)[C@@H](OC1=O)C,TP
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,TP
+COc1ccc(cc1)O,FP
+OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],FP
+BrCC(CBr)Br,TP
+CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,TN
+O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],TN
+OC(=O)[C@H](O)C.[Na+],TN
+CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,TN
+O=NN(c1ccccc1)O,FN
+CN(CCN(c1ccccn1)Cc1ccccc1)C,TN
+NCC(=O)O.Cl,TN
+Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,TN
+Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
+COc1ccc(cc1)CC=C,TN
+NC(=S)NCC=C,TN
+CCN(N(N=O)O)CC,TP
+Oc1cc2ccccc2c2c1cccc2,TP
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,TP
+CC(N=C=NC(C)C)C,TN
+COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
+N#Cc1cc(c2ccncc2)c(nc1O)C,NA
+CCCCCOc1ccc(cc1)N=O,TP
[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],FP
-Oc1ccc(c2c1cccc2)O,NA
-COP(=O)(OC=C(Cl)Cl)OC,TP
-CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,NA
-c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,NA
-c1ccc2c(n1)C1OC1C1C2O1,NA
-CCCOC(=O)c1ccc(cc1)O,NA
-O=C1C=CC(=NC(=O)C)C=C1,NA
-FCC(F)(F)F,NA
-O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,TP
-Nc1cc(Cl)cc(c1)Cl,NA
-O1CCOCCOc2c(OCCOCC1)cccc2,NA
-COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,NA
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,NA
-COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,NA
-O=C1C=CC2=[N+](C(/C(=N/c3ccccc3)/C2=C1)(c1ccccc1)c1ccccc1)[O-],NA
-OC1OC(=O)C=C1CCl,NA
-CC(c1ccccc1)CCN=N#N,NA
-CCOc1ccc(cc1)N(C(=O)C)O,NA
-OC(=O)C(c1ccc(cc1)Oc1nccs1)C,NA
-CCC(=O)O,NA
-CCOC(=O)c1ccc(cc1)N(C=O)O,NA
-CCN=C=S,NA
-c1ccc2c(n1)c1[nH]ccc1cc2,NA
-OO[C@@H]1CCCc2c1cccc2,NA
-BrCC(=C)Br,NA
-O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,NA
-[O-][N+](=O)c1ccccc1C(=O)O,NA
-Cc1ccc(c(c1)O)O,NA
-CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,NA
-Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,NA
-Nc1cccc(c1)Cl,NA
-CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,NA
-C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,NA
-COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,NA
-Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],NA
-COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,NA
-C[Si](N=N#N)(C)C,NA
-CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,NA
-c1ccc(cc1)P(c1ccccc1)c1ccccc1,NA
-ONC(=O)c1ccc2c(c1)cccc2,NA
-N#Cc1ccc2c(c1)nc([nH]2)N,TP
-CC12OOC1Oc1c2cccc1,NA
-Oc1ccc(c(c1Cl)Cl)Cl,NA
-Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,NA
-Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],NA
-CCCCN(/C(=N/O)/C=O)N=O,NA
-CNc1ccc(cc1)[N+](=O)[O-],NA
-C(C[C@@H]1OC1)CC[C@@H]1OC1,NA
-O=CCC(C)C,FP
-OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,NA
-CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],NA
-CC(O)C,TN
-CCl,NA
-O=C1NCC(=O)N1,NA
-Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,NA
-COC[C@H]1CO1,NA
-COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],NA
-NN(c1ccc(cc1)C)c1ccc(cc1)C,FN
-Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,NA
-OC(=O)CCl,NA
-ClCC(CCl)Br,FN
-CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,NA
-O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,TP
-c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,NA
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,NA
-CC(=N)S,NA
-COc1nsc2c1ccc(c2)N,NA
-[O-][N+](=O)c1ccccc1O,NA
-Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,NA
-Nc1ccc(cc1)/C=C/c1ccccc1,NA
-O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,NA
-OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],TP
-CCCCCCC1OC1,NA
-c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,NA
-NNC(=O)N,NA
-CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,NA
-Nn1nnc2-c(c1O)nc1c2cccc1,NA
-N#N=NCC(C(C(C(CO)O)O)O)O,NA
-NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],NA
-c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,NA
-N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,NA
-COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,NA
-Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,NA
-O=c1ccc2c(o1)cccc2,NA
-Clc1nncc2c1cccn2,NA
-CCN(C(=O)N(C)C)N=O,NA
-O=NN1CCCCCCCCCCCC1,NA
-Nc1cc([N+](=O)[O-])c(c(c1C)C)N,NA
-O=NN(Cc1ccc(cc1)C)C,NA
-O=Nc1cc(ccc1C)[N+](=O)[O-],NA
-Cc1cccc(c1N)C,NA
-Cc1cccc(c1N)C,NA
-[O-][N+](=O)c1ccc(c(c1)C)N,NA
-Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,NA
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,NA
-NNc1ccccc1,NA
-O=C1c2ccccc2CCc2c1cccc2,NA
-CC(N)(C)C,NA
-O=C1C=CC(=O)O1,NA
-c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,NA
-Cc1cccc2c1nccc2,NA
-CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,NA
-O1CC1Oc1ccccc1,TP
-Oc1ccc(c(c1)C(C)(C)C)O,NA
-COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,NA
-CC/C=C/C=C/C=C/C=C/OCC(CO)O,NA
-O=Nc1cccc(c1)c1ccccc1,NA
-ClCCC(=O)N(c1snc2c1cccc2)CC,NA
-OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,NA
-CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,FP
-S(Cc1ccccc1)SCc1ccccc1,NA
-Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,NA
-OCCNC(=O)N(CCCl)N=O,NA
-[CH2-][N+](=O)[O-],NA
-Nc1cc(N)c(cc1N=Nc1ccccc1)C,NA
-Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,NA
-CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,NA
-CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,NA
-O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,TP
-OC(=O)C1CC=C(C=C1)OP1(Oc2ccc(cc2)C(=O)O)NP(Oc2ccc(cc2)C(=O)O)(Oc2ccc(cc2)C(=O)O)NP(N1)(Oc1ccc(cc1)C(=O)O)Oc1ccc(cc1)C(=O)O,NA
-CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,NA
-Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,NA
-IC(I)I,NA
-ClCBr,NA
-O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,FP
-CCCCC(=O)Nc1snc2c1cc(Cl)cc2,NA
-C=CC(=O)OCCCCCOC(=O)C=C,NA
-CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,NA
-Cc1ccc(cc1NCC)O,NA
-Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,NA
-c1ccc2c(c1)[nH]cc2,NA
-COc1ccc(cc1)OC,NA
-O=NN1CCC[C@@H]1c1cccnc1,NA
-CCCCCCCCO,NA
-[O-][N+](=O)c1cccc(c1Cl)Cl,NA
-O=C/C=C/C=O,NA
-Nc1ccccc1N,NA
-Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,NA
-[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,NA
-O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,NA
-[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,NA
-CC1CS1,NA
-[O-][N+](=O)c1scc(c1)C(=O)N,NA
-c1ccc2c(n1)c1ncccc1cc2,NA
-c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,NA
-C/C=C/C,NA
-O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,NA
-c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,NA
-CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,NA
-OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,TN
-[O-][N+](=O)c1cc2c(Cl)nsc2cc1,NA
-[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,TP
-O=C1c2ccccc2Cc2c1cccc2,NA
-Nc1ccc(c(c1)N)Cl,NA
-Fc1ccccn1,NA
-Oc1c2ccccc2cc2c1ccc(c2O)O,NA
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,TN
-COC(=O)C(=C)C#N,NA
-O=Nc1ccc(cc1)Oc1ccccc1,NA
-[O-][N+](=O)c1ccccc1,NA
-O=C=S,NA
-NC(C(=O)O)CSC(C(Br)Cl)(F)F,TP
-C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,TN
-CC(c1ccccc1)N(C)C,NA
-[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,TP
-[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],NA
-CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,NA
-[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,NA
-CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,NA
-NNc1scc(n1)c1ccc(cc1)N,NA
-Cc1ccc(cc1)NN=NCc1ccccc1,NA
-CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,NA
-C[C@H]1CO1,NA
-OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,NA
-Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],NA
-O=C(C(F)(F)F)C(F)(F)F,NA
-O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,NA
-COCCc1ccc(cc1)OCC(CNC(C)C)O,NA
-OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-CC1(OC1)c1ccc(cc1)c1ccccc1,NA
-O=C/C(=C(/C(=O)O)\Cl)/Cl,NA
-CCCCCC(=O)O,NA
-Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,NA
-[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,NA
-O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,NA
-Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,FP
-CC(=O)Nc1ccc(cc1)Sc1ccccc1,NA
-N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,NA
-ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,NA
-CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,NA
-OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,NA
-COc1ccccc1N=Nc1c(O)ccc2c1cccc2,NA
-O=CN(c1ccc2c(c1)cccc2)O,NA
-CC(=O)c1ccco1,NA
-CCCCNCC,NA
-[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,NA
-[O-][N+](=O)c1ccc2c(c1)ncn2C,NA
-COc1ccccc1c1ccccc1,NA
-CC(CC(=O)CC(C)C)C,NA
-Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,NA
-CNP1(NC)NP(NC)(NC)NP(N1)(NC)NC,NA
-Nc1ccc(cc1)CCc1ccccc1,NA
-CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,FP
-Fc1ccc2-c3c(C(c2c1)C)cccc3,NA
-Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,NA
-CCn1c2ccc(cc2c2c1cccc2)N,TP
-Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,NA
-OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,NA
-CCCCN(CCC(=O)OC)N=O,NA
-Clc1ccc(c(c1)N)[N+](=O)[O-],NA
-COCC=O,NA
-Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
-CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,NA
-ONc1cc(C)ccc1C,NA
-c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,NA
-O=NN1CN2CN(C1)CN(C2)N=O,NA
-NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,NA
-OC(=O)[C@H](Br)Cl,NA
-NC(=O)C1CO1,NA
-COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,NA
-Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,NA
-O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],NA
-OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,NA
-SC[C@@H](C(=O)O)NC(=O)C,NA
-CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,NA
-CCCCON=O,FN
-ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,NA
-Fc1ccc2c(n1)cccc2,NA
-N1CCN(CC1)c1ccccc1,NA
-COC(C)(C)C,NA
-CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,NA
-Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,NA
-Oc1ccccc1c1ccccc1O,NA
-COc1cc(C=O)ccc1OC,NA
-ClCc1ccc(cc1)CCl,NA
-Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,TP
-Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,FP
-CC(=O)OCN([N+](=O)[O-])C,NA
-CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,NA
-Cc1cccc2-c3c(C(c12)C)cccc3,NA
-[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],NA
-CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,NA
-CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,NA
-Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,NA
-CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,NA
-c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,TP
-CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,NA
-OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,NA
-COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,FP
-Nc1c2cc(C)ccc2nc2c1cc(C)cc2,NA
-FC(C(C(F)(F)F)F)F,NA
-Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,NA
-CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,NA
-CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,NA
-CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,NA
-CNC(=O)NC,TN
-CCCC[C@H](COCCC#N)CC,NA
-OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,NA
-O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,TP
-COc1cc(C=O)ccc1O,NA
-CCNS(=O)(=O)c1ccc(cc1)C,NA
-N#CCC[C@H](C#N)C,NA
-Cc1c2ccc3c(c2nc2c1cccc2)cccc3,NA
-O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,NA
-O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,FP
-CNCCCN1c2ccccc2CCc2c1cccc2,FP
-Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],NA
-CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,NA
-Cc1c(C)ccc(c1C)C,NA
-O=NN(C(C(=O)C)OC(=O)C)C,TP
-[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,NA
-O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,NA
-O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
-CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,NA
-CC(=O)Nc1ccc(cc1)O,NA
-[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],NA
-N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,NA
-O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,NA
-OC(=O)Cc1cccc(c1)[N+](=O)[O-],NA
-Cc1cc(C)c(c(c1)C)C,NA
-CC(=O)N,NA
-ClC/C(=C(\C(=O)O)/Cl)/C=O,NA
-CC(=O)n1ncc(c(c1=O)Cl)Cl,NA
-ClCC(=O)Nc1snc2c1ccc(c2)Cl,NA
-Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,NA
-CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,NA
-ONc1cc2c([nH]1)cccc2,NA
-Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,NA
-CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,NA
-Nc1ccc(cc1C)S(=O)(=O)O,NA
-O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,NA
-Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,NA
-CC(O)(C)C,NA
-CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,NA
-O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,NA
-NCN,NA
-ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,NA
-CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,NA
-CCCCOCCOCCO,NA
-CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,NA
-BrCC(COP(=O)(OCC(CBr)Br)O)Br,NA
-OCc1ccc(o1)C=O,NA
-Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,NA
-CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,NA
-C[C@H](CN)O,NA
-ClN1C2C1c1ccccc1-c1c2cccc1,NA
-ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,NA
-ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,NA
-OC(=O)C1CSSC(C(=O)N1)(C)C,NA
-[O-][N+](=O)c1cccc2c1oc1c2cccc1,NA
-COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,NA
-ClC(=O)c1ccc(cc1)[N+](=O)[O-],NA
-OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,NA
-O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,NA
-O=Cc1ccccc1O,NA
-OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,NA
-CCOc1cccc(c1)N,NA
-CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,NA
-Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,NA
-C=CC(=O)OCC(C)(C)C,NA
-[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,NA
-O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,NA
-Oc1ccc(c(c1)Cl)Cl,NA
-O(Cc1ccccc1)Cc1ccccc1,NA
-Cc1ccc(cc1)CC[C@@H]1OC1,NA
-OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,NA
-O=C1OC(=O)c2c1cc(cc2)C(=O)O,NA
-C[n+]1c2ccccc2c(c2c1cccc2)N,NA
-O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,NA
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-O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,NA
-COc1ccc(cc1N)C,NA
-CCCCC=C,FP
-CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,NA
-FC(C(Cl)(Cl)F)(Cl)Cl,NA
-CC/C=C/CC/C=C/C=O,NA
-OC1C=Cc2c(C1O)ccc1c2cccn1,NA
-CCCC[C@H](COC[C@H]1CO1)CC,NA
-Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,NA
-CCN(c1ccccc1)Cc1ccccc1,FP
-COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,NA
-CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,NA
-Oc1c(O)cccc1O,FN
-COS(=O)(=O)OC,NA
-CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,NA
-NN(c1ccccc1)c1ccccc1,NA
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-[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,TP
-OOC([C@@H]1CC[C@H](CC1)C)(C)C,TP
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-O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],NA
-CC(CCON=O)C,NA
-CCNC(=O)CCC(C(=O)O)N,NA
-CCCCC/C=C\C=C/C=O,NA
-CCCN(C(=O)N)N=O,NA
-CCCCCCCC/C=C\CCCCCCCC(=O)OC,NA
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-[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,NA
-OC(COc1cccc2c1C=CC2)CNC(C)C,FP
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-ClCC(=O)N(c1snc2c1cccc2)C,NA
-CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,NA
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-OC(=O)C1OC(Oc2cccc3c2cc2ccc4c5c2c3ccc5ccc4)C(C(C1O)O)O,NA
-CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,NA
-O1CCOCCOCCOCCOCCOCC1,NA
-CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,NA
-O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,NA
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-ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,NA
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+BrC[C@H](Br)C,TP
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+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,NA
+O/N=C/C=N/O,TN
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+O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,TN
+CCCCOCC(=O)O,TN
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+CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,FP
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+Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,TN
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+COc1ccc(cc1)CCC1OC1,TP
+CC(Nc1ccccc1)C,TN
+CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,FP
+CC(=O)c1ccco1,FN
+CCCCCN(CCCC)N=O,FN
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+Nc1ccc(c(c1)N)C,TP
+CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,TN
+Nc1ccc(cc1)Nc1ccccc1,FP
+Clc1cccc2c1c1ccccc1o2,FP
+COc1ccc(cc1)C(=O)C1OC1c1ccccc1,TN
+OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,TN
+C[C@H]([C@@H](CCl)Br)Br,TP
+ClCCSCCCl,TP
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1,TP
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CCN(CC)CC,TN
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-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],NA
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-[O-][N+](=O)NC(=N)N(N=O)CCCCCC,NA
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-C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,NA
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-[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,NA
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+COC(=O)CCl,FP
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-[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,NA
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-[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],NA
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-O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,NA
-CCCC[C@@H](C(=O)O)CC,FP
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-CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,NA
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-[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,NA
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-[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,NA
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-[O-][N+](=O)c1cncn1C,NA
-O=S1(=O)OCCCO1,NA
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-[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,NA
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-[O-][N+](=O)c1cc2ccccc2cc1C,NA
-CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],NA
-OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,NA
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-[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,TP
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O(CC1OC1)CCOCC1OC1,TP
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-[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,NA
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-[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,NA
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-[O-][n+]1cnc2c(c1N)[nH]cn2,NA
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CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,NA
-COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,NA
-Clc1ccc(c(c1)Cl)N,NA
-CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,NA
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-CN,NA
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-CC1=Nc2c(C1(C)C)cccc2,NA
-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,NA
-BrC/C=C\CBr,NA
-CCCCN1C2C1c1ccccc1-c1c2cccc1,NA
-Clc1ccc2c(c1)nsc2N,TP
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-[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,NA
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-[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,NA
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-c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,NA
-OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],NA
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-NCC1(C)CC(N)CC(C1)(C)C,FP
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-O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,NA
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-Cc1ccc2c(c1)nc([nH]2)N,NA
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-ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,FP
-[O-][N+](=O)OCCN([N+](=O)[O-])C,NA
-BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,TP
-Cc1ccc(c2c1ccc1c2cccc1)C,NA
-C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,NA
-CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,NA
-CNC(=O)N(c1nc2c(s1)cccc2)C,NA
-COC1=CC=CC=CC1,NA
-CC(N1C(=O)c2ccccc2NS1(=O)=O)C,NA
-CC(c1ccccc1)CN=N#N,TP
-ClCCN(P(=O)(O)N)CCCl,NA
-O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,NA
-CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,TP
-CCc1cccc2c1[nH]c1c2CCOC1(C)CC,NA
-O=Cc1ccccc1C,NA
-Oc1ccc2c(c1)oc(=O)cc2C,FP
-CS(=O)(=O)C,NA
-O=NN(C(=O)Oc1cccc2c1cccc2)C,NA
-O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],NA
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-Oc1ccc(cc1)c1ccc(cc1C)N,NA
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-ClCc1c2ccccc2c(c2c1cccc2)C,FN
-OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,NA
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-[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],NA
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-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],NA
-ClC#N,NA
-c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,NA
-ClCSP(=S)(OCC(C)C)OCC(C)C,NA
-[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,NA
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-CC(=O)/C=C/c1ccco1,NA
-CNC(=S)N(C)C,NA
-Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,NA
-OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,TP
-O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,NA
-O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,NA
+Oc1ccc(c2c1cccc2)O,FN
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+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,FP
+CCOC(=O)C=C,TN
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+CCC(=O)/C=C/C1C(=CCCC1(C)C)C,FP
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+CC(c1ccccc1)CCN=N#N,TP
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],NA
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+COc1c(N)cc(c(c1C)N)C,FP
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+Clc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
+Clc1cc(N)c(c(n1)C(=O)O)Cl,TN
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+Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,TP
+NCCc1c[nH]c2c1cc(O)cc2,TN
+CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],TN
+CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,TN
+OCCn1c(CO)ncc1[N+](=O)[O-],TP
+ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,TP
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,TN
+CCNc1snc2c1cccc2,TN
+ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,TP
+COS(=O)(=O)C(F)(F)F,NA
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,TN
+CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,NA
+NC(=O)CCCCC(=O)N,FP
+Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,TN
+Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,FN
+c1cccnc1,TN
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+[O-][N+](=O)c1cccc2c1[nH]nc2,TP
+O1C[C@@H]1[C@@H]1OC1,TP
+Nc1ccc2c(c1)cc1c(c2)cccc1,TP
+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,TP
+Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,TN
+OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,TP
+BrCC(=O)c1ccc(cc1)c1ccccc1,NA
+[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],TP
+COC(=O)C(Cl)C,TP
+ClC[C@H](O[C@@H](CCl)C)C,FN
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+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],TP
+C1N2CN3CN1CN(C2)C3,NA
+C[N+](Cc1ccccc1)(C)C.Cl,TN
+O=S1(=O)CCCO1,TP
+OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,TN
+Oc1ncc(c(n1)O)F,TN
+COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,TN
+CCSCSP(=S)(OCC)OCC,TN
+OCC([N+](=O)[O-])(CO)Br,TN
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],TN
+OC[C@H]([C@H](CO)O)O,TN
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+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,TP
+C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,TP
+CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,TP
+NC(=O)c1c(Cl)ccc(c1Cl)O,TN
+Cc1cccc(c1)Br,TN
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+O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,TP
+CCCOC(=O)c1ccc(cc1)O,TN
+O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,TP
+CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,TP
+COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,TP
+OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],TP
+Nc1scc(n1)c1ccccc1,TP
+CN(N=O)C[C@H](O)C,FN
+Clc1cc(Cl)c2c(c1)c(N)sn2,FN
+NC(C(=O)O)CSC(C(Cl)Cl)(F)F,FP
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+Clc1ccc(c(c1)Cl)[N+](=O)[O-],TP
+OCCCCN(CCO)N=O,TP
+ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,TP
+c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,TP
+c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,TP
+Oc1cc2nnsc2c(c1)C(=O)O,TN
+CCCCCCCCCCCCCC[C@@H]1OC1,TN
+[N-]=[N+]=NC[C@@H](CO)O,TP
+[O-][N+](=O)c1cccc(c1Cl)Cl,FP
+CCCCCOC(=O)C=C,TN
+OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,FP
+CC(=C)OC(=O)C,TN
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,FP
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+C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,FN
+Oc1ccc(c(c1)C)Cl,TN
+Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,TN
+CC(=O)/C=C/c1ccc2c(c1)OCO2,TN
+Fc1c(F)c(F)c(c(c1Cl)F)Cl,NA
+O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,FN
+BrC(C(=O)O)Br,TP
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,TP
+C[n+]1ccc(cc1)c1ccccc1,TN
+OC(=O)CC(=O)O,TN
+CCNN=NCC,FN
+NC(=O)C1CO1,TP
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,TN
+COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,TN
+COP(=O)(SC)OC,TN
+Clc1cc(Cl)c(c(c1)Cl)O,TN
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,TN
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],TP
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,TP
+ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,TP
+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,TP
+Oc1ccc(c(c1)Cl)Cl,TN
+OC(=O)/C=C/c1c[nH]cn1,TN
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,TP
+OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,TN
+CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,TP
+ClCCP(=O)(O)O,TN
+C/C=C/c1ccc(cc1)OC,TN
+[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,TP
+C1CCCCCC2C(CCCC1)O2,TN
+CC(=O)Nc1snc2c1cc(Cl)cc2,TP
+c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,TN
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,TN
+CCN(c1ccccc1)N,FN
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,TP
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,TP
+Cc1ccc(cc1)Cc1ccccc1,TN
+COCN(c1c(CC)cccc1CC)C(=O)CO,NA
+Clc1ccncc1,TN
+CC(CCOC(=O)C)C,TN
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,FN
+CN(c1ccc(nn1)NN)C[C@H](O)C,NA
+CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,TN
+CCNc1nc(Cl)nc(n1)NC(C)(C)C,TN
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,FP
+OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,TN
+Cc1ccccc1N=Nc1ccc(cc1)N(C)C,FP
+CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,TP
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,TN
+COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,TN
+Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,TP
+ClC(=O)c1c(Cl)cccc1Cl,FN
+FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,TN
+OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,TP
O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,NA
-Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,NA
-O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,NA
-C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,NA
-CCC(C)(C)C,NA
-c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,NA
-[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],NA
-OC[C@H](CN(C[C@H](O)C)N=O)O,NA
-CC(COC(=O)c1ccccc1N)C,NA
-COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,NA
-OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],NA
-COC(=O)C(Cc1ccc(cc1)Cl)N,NA
-c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,NA
-OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,NA
-Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,NA
-COc1ccc2c(c1)ccc(c2)CCC(=O)C,NA
-CC(COS(=O)(=O)C)C,NA
-[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,NA
-CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,NA
-Cc1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-CN([N+](=O)[O-])C,NA
-Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,NA
-OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,TP
-CCCCN(CC(OCc1ccccc1)CO)N=O,NA
-Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,TP
-OC1=C(O)C(=O)C1=O,NA
-ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,NA
-CC(=[N+]([O-])[O-])C,NA
-Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,TP
-ONc1cc[n+](c2c1cccc2)[O-],NA
-CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,NA
-[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],NA
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,FP
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+BrCCBr,TP
+ClC(C(=O)C(Cl)(Cl)Cl)Cl,TP
+CC(=O)Oc1ccccc1C(=O)O,FP
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+CCOc1ccc2c(c1)sc(n2)N,TP
+Cc1ccc(c(c1)C)C,TN
+CC1(C)C2CC3C(C1C2)(C)O3,TN
+CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,FN
+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,FP
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+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],TP
+CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,TP
+Fc1ccc(c(c1)F)N,TP
+Cc1ccc(c2c1ccc1c2cccc1)C,TP
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+CCc1nc2c(nc1CC)ccc(c2C)NC,TP
+OC(=O)C(c1cccc(c1)Oc1ccccc1)O,TN
+O=C(c1ccccc1)C(=O)C,TN
+Oc1ccccc1Cl,TN
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+CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,TP
+COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,TN
+OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,TN
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,FN
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+c1ccc(cc1)Nc1cccc2c1cccc2,FP
+CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,TN
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,TN
+Cc1cccc2c1ccc1c2cc2c(c1)cccc2,TP
+O=C/C(=C(/C(=O)O)\Cl)/Cl,TP
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+COc1ccc2c(c1)C1CCCCC1C1C2O1,TN
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+NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,TP
+OC(=O)/C(=C(/C(=O)O)\C)/Cl,TN
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+CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,TN
+CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,TN
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
+Oc1ccccc1/C=N/c1snc2c1cccc2,FP
+NC(=O)c1cnccc1C(F)(F)F,TN
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+OCCC(C)C,TN
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+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,FP
+OCCN(C(=O)OCC)N=O,TP
+ClC(c1ccccc1)C(=O)Cl,FN
+CC(OC(=O)C(=C)C)C,TN
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+c1ncc[nH]1,TN
+NC(=N)c1ccccc1,TN
+O=NN1CC[C@@H]([C@H](C1)Br)Br,NA
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],TP
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+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,TP
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+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,TN
+O=C1c2ccccc2C(=O)c2c1cccc2,TP
+Cc1cccc2c1c1ccc3c(c1cc2)cccc3,TP
+BrCC(=O)Nc1ccc(cc1)C,FP
+CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,TN
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,TP
+c1ccc2c(c1)c1ccccc1cc2,TP
+OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],TN
+C=CCc1ccc(c(c1)OC)O,TN
+O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,FN
+OCCNC(=O)C(O)C,FN
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+[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,TP
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,TP
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,TP
+O=C1OC2=CCO[C@H](C2=C1)O,TN
+Oc1ccc2c(c1)nc([nH]2)N,FN
+O=C1C(=O)C2(C(C1CC2)(C)C)C,TN
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+OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,TN
+CNC(=O)Oc1cccc2c1cccc2,NA
+O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,NA
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+O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,FP
+CC(=O)N(c1ccc(cc1)c1ccccc1)O,TP
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,FP
+Nc1ccc2c(-c3ccccc3C2)c1,TP
+Nc1nc2c(n1C)ccc1c2cncc1,TP
+[O-][N+](=O)c1ccccc1,TN
+C=CC=O,FN
+Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,TN
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,TP
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,TP
+COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,TN
+OC(=O)COc1ccc(cc1C)Cl,TN
+Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,TN
+CCN(C(=S)SSC(=S)N(CC)CC)CC,FP
+Cc1cccc(c1)C,TN
+[O-][N+](=O)[CH-]C,TN
+CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,TP
+[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
+CC(=O)NC(C(=O)O)CCP(=O)(O)C,TN
+N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,TN
+O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,FN
+CC(=O)Nc1ccc(cc1)S(=O)(=O)N,TN
+[O-][N+](=O)c1nc2c([nH]1)cccc2,TP
+Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,TN
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,TN
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,TN
+Fc1cccc2c1ccc1c2nccc1,TP
+CCCCCCC[C@@H]1CCC(=O)O1,TN
+OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,TP
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,TN
+COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,TP
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,TP
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,FN
+[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,NA
+OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,NA
+O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,TP
+OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
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+OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,TN
+N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,TN
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+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,TP
+Cc1ccc(c2c1cccc2)C,TN
+ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,TN
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+Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,TN
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+CC(C[C@H](O)C)C,TN
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+COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,FP
+ClCC(CBr)(Br)C,TN
+OC1CC=Cc2c1nccc2,TN
+C/C=C/c1ccc(cc1OC)OC,TN
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,TN
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,TN
+Cn1ccnc1S,TN
+COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,TN
+N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,TP
+CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,FN
+COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,TN
+CCC(=O)Nc1ccc(c(c1)Cl)Cl,TN
+O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,TN
+O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,TP
+O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,TN
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+Cc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+OC[C@@H](CI)O,TP
+COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,TN
+COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,TN
+O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,TN
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,TP
+ClCc1ccc(cc1)F,TN
+O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],TP
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,TP
+Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,TN
+S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,TN
+O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,FP
+ON(c1ccccc1)C(=O)C,FP
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,TP
+CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],TP
+C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,NA
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,TN
+O=C1C(=O)c2c3c1cccc3ccc2,TP
+[O-][N+](=O)c1scc(c1)C(=O)N,TP
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
+NCP(=O)(O)O,TN
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,FN
+OS(=O)(=O)O.COc1ccc(cc1N)N,TP
+O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,TP
+Nc1nc2c(s1)cccc2,TN
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,FN
+C1=C[C@@H]2[C@H](C=C1)O2,FN
+CC(OC(=O)CC(=O)OC(C)C)C,TN
+O=C(c1cnccc1C(F)(F)F)NCC(=O)O,TN
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,TP
+OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,FN
+O=C(Nc1ccc(cc1)Cl)CCC(=O)O,TN
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,TN
+NNc1nncc2c1cccc2,TP
+C=CS(=O)(=O)C,TN
+O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+Brc1c(O)c(Br)c(c(c1Br)Br)Br,TN
+CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,TP
+O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,FP
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,TP
+COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,TP
+CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,TN
+Cc1ccc2c(c1C)cccc2,FP
+OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],TP
+COC(=O)c1sccc1S(=O)(=O)N,TN
+Oc1ccc(c(c1)O)C(=O)O,TN
+OC1C=Cc2c(C1O)nccc2,TN
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,FP
+CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,TN
+[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,TP
+O=C1C=CC(=O)C1(Cl)Cl,TP
+O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,TP
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,TP
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,TP
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,TN
+O=S1CCOC(=C1C(=O)N)C,TN
+OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,TP
+c1ccc(cc1)c1ccc(cc1)OCC1OC1,TP
+O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,NA
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+CCCCOC(=O)C=C,TN
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,TP
+Nc1ccc2c(n1)n1ccccc1n2,TP
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CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,TN
-[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,NA
-OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,NA
-ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,NA
-N#Cc1c(Cl)cccc1Cl,NA
-[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,NA
-O=NN1CCC[C@@H](C1)Cl,NA
-Cn1c(N)nc2c1cc1ccccc1c2,NA
-CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,TP
-CC(OC(=O)CC(=O)OC(C)C)C,NA
-Oc1ncnc(c1)O,NA
-Cc1ccccc1N=Nc1ccc(c(c1N)C)N,NA
-NS(=O)(=O)c1cccc2c1nccc2,NA
-OCc1ccc(cc1)C(F)(F)F,NA
-Clc1cc(Cl)c(c(c1)Cl)Cl,NA
-Sc1[nH]cnc2-c1ncn2,NA
-OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,NA
-Ic1cccc(c1)[N+](=O)[O-],NA
-COC(=O)c1ccc(cc1)C(=O)OC,NA
-NNc1nncc2c1cccn2,NA
-O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,NA
-NNc1ccccc1[N+](=O)[O-],NA
-Cc1c(N)cccc1Cl,NA
-CCCC(=O)C,NA
-OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,NA
-CC(=C)C1CCC2(C(C1)O2)C,NA
-O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,NA
-C/C=C/c1ccc2c(c1)OCO2,NA
-c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,NA
-CC1=CC[C@H]2C[C@@H]1C2(C)C,NA
-OC1C=Cc2c(C1O)c1cccnc1cc2,NA
-Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,NA
-O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,TN
-CN1CCN=N1,NA
-COCCCN,NA
-Clc1ccc2c(n1)cccc2,NA
-OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,NA
-CCCC(=O)Nc1snc2c1cccc2,NA
-CC1=CC[C@H](CC1)C(=C)C,NA
-O=C(C(=O)c1ccccc1)c1ccccc1,NA
-Nc1cccc2-c3c4c(-c12)cccc4ccc3,NA
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,NA
-OC(=O)COc1ccc2c(c1)cccc2,NA
-C=COC(=O)C=C,NA
-C1CCc2c(C1)cccc2,NA
-C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,NA
-CCCCCCCCCCCCCN1CC(C)OC(C1)C,NA
-Nc1ccc2c(c1)nccc2,NA
-[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,NA
-c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,NA
-BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,NA
-CCCBr,NA
-O=C1NCCN1c1ncc(s1)[N+](=O)[O-],NA
-Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,FP
-CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,NA
-NCCO,NA
-CCCCCCCCCCCCCCCCN,NA
-ONc1ccccc1c1ccccc1,NA
-COc1cc2nc3cc(N)ccc3nc2cc1N,TP
-Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,NA
-ONc1ncnc2c1ncn2Cc1ccccc1,TP
-Nc1nc2c(s1)ccc1c2cccn1,NA
-O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,NA
-COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,NA
-CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,NA
-Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,NA
-OC1C2OC2c2c(C1O)ccc1c2nccc1,NA
-OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,NA
-C1CN1c1nc(nc(n1)N1CC1)N1CC1,NA
-O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],NA
-CCCCCCC(=O)O,NA
-[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],NA
-OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,NA
-OC1c2ccccc2Oc2c1cccc2,NA
-CCN(c1ccc(c(c1)O)N=O)CC,NA
-COc1nsc2c1cccc2[N+](=O)[O-],NA
-CN1CCC=C2C1CCc1c2nc(s1)N,NA
-C[C@]1(N)CC[C@H](CC1)C(N)(C)C,FP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,NA
-CC(CCCCCCCOC(=O)C(=C)C)C,NA
-CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,NA
-[O-][N+](=O)c1ccc(c(c1)N)O,NA
-CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,TP
-NC=O,NA
-CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,NA
-OC(=O)C1(N)CCCC1,NA
-c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,NA
-O=c1c2cccc3c2c2c1cccc2cc3,NA
-[O-][N+](=O)c1ccc2c(c1)NCC2,NA
-COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,NA
-C1CCCO1,NA
-C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,NA
-OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,NA
-BrCC(=O)c1ccc(cc1)Br,NA
-CCCC(=O)Nc1snc2c1cc(C)cc2,NA
-OCCCCCCC/C=C/C=C/C,NA
-BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,NA
-OC(=O)/C=C/C(=O)CC(=O)C,NA
-CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,NA
-C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,NA
-Clc1ccccc1Cl,NA
-O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,FP
-ClCC(=O)Nc1snc2c1cccc2,NA
-ClCCN(C)C,NA
-N#CCC#N,NA
-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,NA
-ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,NA
-OCCOCCO,NA
-CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,NA
-Fc1ccccc1,NA
-CC12CCC(C2(C)C)CC1(C)O,NA
-Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,NA
-C=CC(=O)OCCOCCOC(=O)C=C,NA
-OCCCc1ccccc1,NA
-OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,NA
-CCC(C1NC(=O)C(=C1O)C(=O)C)C,FP
-Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,NA
-CCCN(C(=O)SCC)CCC,NA
-O=NN(C(=O)N)C,NA
-C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,NA
-C[C@@H]1CNC[C@H](O1)C,NA
-N#Cc1ccccc1,NA
-Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,NA
-[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],NA
-Nc1ccc(cc1)O,NA
-ClCc1ccc(cc1)Cl,NA
-CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,NA
-CC[C@@H](NCCN[C@@H](CO)CC)CO,NA
-Nc1cc(N)c(cc1N=Nc1ccccc1C)C,NA
-CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,FP
-[O-][n+]1cccc(c1)C1CCC(=O)N1C,NA
-NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,NA
-Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,NA
-O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccc(c2c1cccc2)C,NA
-C=CCc1ccc(c(c1)OC)OC,NA
-[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,NA
-c1ccc2-c3c(Cc2c1)cccc3,NA
-COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,NA
-Oc1nc(Cl)nc(n1)Cl,NA
-C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,NA
-OC1COC(=C(C1=O)O)C,NA
-Cc1ccc(c(c1)N)C,TP
-Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,NA
-ClCCNCCCNc1c2ccccc2nc2c1cccc2,NA
-Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,NA
-CSCC(C(=O)O)NC(=O)C(SC)(C)C,NA
-O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,TP
-COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,NA
-CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,NA
+Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],TP
+C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,TP
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],TN
+COCCN(c1c(C)cccc1C)C(=O)CCl,TN
+OC(=O)CCCCCCCCC(=O)O,TN
+OCc1cc2c([nH]1)c1ncccc1cc2,FP
+CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,FP
+OC(C(Cl)(Cl)Cl)O,FN
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,TP
+Cc1cnc2c(c1)cccc2,TP
+C/C=C\C=C/C=O,TP
+CCCCOC(=O)C(=C)C,TN
+Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,NA
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,TN
+O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,TP
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
+CCCCCCCCCCCCS,TN
+c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,TP
+CC(=O)C=C,FN
+[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],TP
+O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,TN
+CCCN=NC(OO)(C)C,TP
+CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
+COP(=O)(C(C(Cl)(Cl)Cl)O)OC,FP
+COc1cccc(c1)N,TP
+ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,FP
+O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,FP
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,TN
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,FP
+CCOC(=O)CC(C)C,TN
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,TN
+CCOc1nc(N)nc(n1)N,TN
+O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,TN
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,TN
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,TN
+OC(=O)CCC(=O)O,TN
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,TP
+CNC(=O)c1cccnc1S(=O)(=O)N,TN
+COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],TP
+Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],TP
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,TP
+CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,TN
+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],TP
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,TP
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,TN
+FCC(F)(F)F,TN
+[O-][N+](=O)c1ccc(c(c1)N)C,TP
+Nc1ccc(c(c1)[N+](=O)[O-])O,TP
+OC(=O)C1CSSC(C(=O)N1)(C)C,NA
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,TN
+Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,NA
+OCc1cc2ccc3c4c2c(c1)ccc4ccc3,TP
+O=NN1CCCN(CC1)N=O,TP
+O=Nc1c(C)n(n(c1=O)c1ccccc1)C,FN
+ONc1c(C)cccc1C,TP
+CC(NC(C)C)C,TN
+CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,TP
+COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,TN
+CC1=Nc2c(C1(C)C)cccc2,TN
+COc1ccc(cc1)CC1OC1,TP
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TN
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,TN
+C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,NA
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,NA
+O=C(C(=C)C)OCCCCOC(=O)C(=C)C,TN
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,FN
+CCC(=O)C(=O)CC,FN
+CC1(CO1)C1CO1,TP
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TP
+COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,FP
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,FP
+OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
+CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,TN
+OCC=C(CCC=C(C)C)C,TN
+C=Cc1ccc(cc1)C,TN
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,TP
+C[Si](N[Si](C)(C)C)(C)C,NA
+OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,TN
+O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,TP
+COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,TP
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,TP
+O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,TP
+CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,TN
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+BrC(C1=C(Br)C(=O)OC1O)Br,TP
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+CCCC[C@H](CN)CC,TN
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+Clc1cccc(c1O)Cl,TN
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+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,TN
+Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,TN
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+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,FP
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,TP
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CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,NA
-CCC(OS(=O)(=O)C)C,NA
-ClSC(Cl)(Cl)Cl,NA
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BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,TP
-[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,NA
-N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,NA
-C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,NA
-OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,NA
-CC(=O)CCl,NA
-O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,NA
-Cc1cccc(c1)[N+](=O)[O-],NA
-CN(CCC=C1c2ccccc2CCc2c1cccc2)C,NA
-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],NA
-BrCC1=C(Br)C(=O)OC1,NA
-ONc1cnc2c(c1)nc1n2cccc1,NA
-Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],NA
-CC(C#N)C=C,NA
-O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,NA
-O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,NA
-Nc1cccc2c1c1ccccc1cc2,NA
-Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,NA
-CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,NA
-[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],NA
-O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,TP
-Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,NA
-O/N=C(/c1ccc(c(c1)O)O)\N,NA
-O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,NA
-CC(=O)Nc1ccc(c(c1)N)C,NA
-c1cnc2c(c1)CCC1C2O1,NA
-CCOP(=S)(OCC(C)C)SCCl,FP
-OC(=O)CNCP(=O)(O)O,NA
-C(C1OC1)Cc1ccccc1,NA
-OC(=O)c1ccc(cc1)C,NA
-NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,NA
-ClCCC(CBr)Br,NA
-OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,NA
-COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],NA
-CCOc1ccc(cc1)N=O,NA
-O/N=C/C1N(CCN(C)C)C=CN1C,NA
-ClC[C@@H](CBr)Cl,FN
-CC(c1ccccc1)Br,NA
-O=Cc1ccccc1Cl,FP
-CCCCCCCCCCCCN(N=O)C,NA
-CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,NA
-Nc1ccc(c(c1)[N+](=O)[O-])C,NA
-ClC[C@H]1CO1,NA
-CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,NA
-COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,NA
-COC(=O)C(=C)Cl,NA
-CNC(=O)ON(C(=O)NC)C(=O)NC,NA
-COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,NA
-ON1C(C)(C)CCCC1(C)C,NA
-c1cnc2c(c1)c1CCC3C(c1cc2)O3,NA
-Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,NA
-CCCCOCCO,FP
-CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,NA
-Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,NA
-OC(=O)c1cccc2c1nccc2,NA
-COc1ccc2c(c1OC)nc1c(c2OC)CCO1,TP
-O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,NA
-CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,NA
-CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,NA
-Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,NA
-Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],NA
-O=c1ccc2c(o1)cc1c(c2)cco1,FP
-COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],TP
-Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,TP
-CCCCN(N=O)CCCC,NA
-COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,NA
-COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,NA
-CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,NA
-COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],NA
-Nc1ccccc1c1ccccc1,NA
-CCc1ccc(cc1)C,NA
-Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],NA
-Fc1ccc2c(c1)c1ncccc1cc2,NA
-OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,NA
-[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,NA
-N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,NA
-Oc1cc(O)c2c(n1)cccc2,NA
-O=C(Nc1ccccc1)Nc1ccccc1,NA
-Cc1ccc2c(c1)nc(n2C)N,NA
-CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,NA
-OC(=O)CBr,NA
-Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,NA
-OCCC#N,NA
-[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],NA
-CN(C(=O)Cl)C,NA
-ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,NA
-Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,NA
-CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,TP
-[O-][n+]1ncc2c(c1)cccc2,NA
-CCC(C(=O)NC(=O)N)(CC)Br,NA
-CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,NA
-CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,NA
-OCCCN(N=O)CC,NA
-Nc1ccn(c(=O)n1)CC(CN=N#N)O,NA
-C=Cc1ccc(cc1)C,NA
-O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,NA
-[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,NA
-Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,FN
-Cc1ccc2-c3c([C@H](c2c1)C)cccc3,NA
-Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,NA
-COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,FP
-[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,NA
-O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],NA
-OCCCBr,NA
-CCCOC(=O)C(=C)C,NA
-Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,NA
-CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,NA
-[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],NA
-CCC(c1ccc(cc1)O)(C)C,NA
-ClC(=C(Cl)Cl)Cl,NA
-OC(=O)C(Cn1cncc1)N,NA
-CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,NA
-c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,NA
-Cc1c2ccccc2cc2c1cccc2,NA
-CCCCOC(=O)CCCCCCCCC(=O)OCCCC,NA
-O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,NA
-C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,NA
-CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,NA
-[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,TP
-CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,NA
-CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,TP
-ClC(=O)c1ccccc1C(=O)Cl,NA
-CCc1cccc2c1nccc2,NA
-O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,TP
-O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,FP
-Nc1ccc(c(c1)Cl)C,NA
-[O-][N+](=O)c1ccc2c3c1cccc3CC2,NA
-Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,NA
-CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],NA
-COc1c2cccc(c2nc2c1cco2)O,NA
-OC1C=CC=CC1O,NA
-Oc1ccc(cc1)C(c1ccccc1)(C)C,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,NA
-Ic1cc(Cl)c2c(c1O)nccc2,NA
-Fc1cccc(n1)F,NA
-Oc1ccc2c(c1)[nH]c1c2ccnc1C,NA
-Oc1ccc(c(c1)C)Cl,NA
-CCCCN(CC(=O)CC)N=O,NA
-Oc1ccc(cc1)c1ccc(cc1)O,NA
-c1ccc(cc1)c1ccccc1OCC1CO1,NA
-COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,TP
-COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,FP
-OCc1ccc(cc1)Br,NA
-OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,NA
-ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,NA
-Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,TP
-Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,NA
-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],NA
-O=Nc1ccc(cc1)Sc1ccccc1,NA
-c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,NA
-OCC(CO)(CO)CO,NA
-CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,NA
-CC(CC(O)C)C,NA
-Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,NA
-Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,NA
-COc1cc2c(cc1OC)nc1c(c2OC)cco1,NA
-CCCOO,NA
-COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,NA
-OCCCCN(N=O)C,NA
-CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,NA
-[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,NA
-Cc1ccc(c(c1)O)C(C)C,NA
-CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,NA
-CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,NA
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,NA
-NNc1nncc2c1cccc2,NA
-ClCCOC(=O)C=C,NA
-Cc1nccnc1C,NA
-CNc1ccccc1N,NA
-[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,NA
-BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,NA
-ClCCN[P@]1(=O)OCCCN1CCCl,NA
-CCOC(=O)CNC(=O)CBr,NA
-Cc1c(C)cccc1O,NA
-CC[C@@H](CN)O,NA
-Clc1ccc(cc1)CC1OC1,NA
-COC(=O)CC(=O)C,NA
-CCN1CCN=N1,NA
-N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,NA
-c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,NA
-OC(=O)CCCOc1ccc(cc1Cl)Cl,NA
-CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,NA
-CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,NA
-CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,NA
-CC([N+](=O)[O-])(Cl)C,NA
-O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],TP
-CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,NA
-Nc1ccc(cc1)S(=O)(=O)N,NA
-Nc1ccccn1,NA
-CCc1cccc(c1N)C,NA
-OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,TP
-ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,NA
-CCN(c1ccccc1)N=O,NA
-O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,NA
-ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,NA
-NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,NA
-Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,NA
-CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,NA
-CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,NA
-CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,NA
-CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,NA
-OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,NA
-OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
-COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,NA
-CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,NA
-Nc1ccc2c(c1)scn2,NA
-CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,NA
-OCc1cccc2-c3c4c(-c12)cccc4ccc3,NA
-O=NN(C(=O)N)CCCC(=O)O,NA
-c1ccc2c(c1)snc2,NA
-O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,NA
-CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,NA
-Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,NA
-CCCCN(CC(=O)C)N=O,NA
-NCC(=O)O,NA
-CCCCCCCCCCCC(=O)C,NA
-OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,FP
-COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,NA
-Nc1nc2c(n1C)c(C)cc1c2nccn1,NA
-O=C1CC(=NN1c1ccccc1)C,NA
-CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,NA
-C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,NA
-O=C1CCc2c1c1ccc3c(c1cc2)cccc3,TP
-CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,NA
-Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,NA
-C1CCC=CC1,TN
-O=C(C1(C)OC1)NCc1ccccc1,NA
-Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,NA
-O=C(Nc1ccc(cc1)C)CC(=O)C,NA
-COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,NA
-C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,FP
-C=CCOC(=O)C=C,FP
-ClC(=O)c1ccccc1F,NA
-C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,NA
-Nc1ccc2c(n1)no[n+]2[O-],NA
-Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],FP
-Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,NA
-CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,NA
-CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,NA
-O=CN(C)C,NA
-S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],NA
-Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],NA
-COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,NA
-CCN(N=O)C=O,NA
-ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,NA
-O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,NA
-O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,NA
-CC(=C)c1ccccc1,NA
-OC(=O)Cn1c(C)ncc1[N+](=O)[O-],NA
-CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,NA
-CCCCOC(=O)C(=C)C,NA
-COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,NA
-O=C1C=CC(=O)C(=C1)C,NA
-ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,NA
-C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,NA
-OC1CC2C(C1(C)CC2)(C)C,NA
-Cc1cc2c(NC(=O)CCl)snc2cc1,NA
-ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,NA
-COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,NA
-CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,NA
-O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,TP
-COc1c(OC)c2occc2c2c1ccc(=O)o2,NA
-OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,NA
-N#C[Se]Cc1ccccc1,NA
+CNC(=O)Oc1ccc(cc1)c1ccccc1,TP
+O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,TP
+COC(=O)/C(=C/c1ccc(o1)Br)/C#N,TN
+OC(=O)c1cccc(c1)C(F)(F)F,TN
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+CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,TN
+Clc1ccc(cc1)Br,TN
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+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,TP
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,TN
+Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,TN
+CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,FP
+CCOC(/C=C(\CCC=C(C)C)/C)OCC,TN
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,TN
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+[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],FP
+Clc1c(O)cc(c(c1Cl)Cl)Cl,TN
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+ClC[Si](C=C)(C)C,FP
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+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,TP
+C1CCC(CC1)N=C=NC1CCCCC1,TN
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+O=C1CSC(=S)N1,FP
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+Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,TP
+Clc1ccc(c(c1)Cl)Cl,TN
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+OCC(=O)Nc1c(CC)cccc1CC,NA
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+CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,FN
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C=COc1ccc(cc1)[N+](=O)[O-],TP
-CCC(=O)N(c1ccc2c(c1)cccc2)O,NA
-COC=O,NA
-Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,NA
-[O-][N+](=O)c1ccc2c(c1)cns2,NA
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-COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,NA
-NC(=O)NCC=C,NA
-CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,NA
-ClC(c1ccccc1)Cl,NA
-c1ccc2c(c1)c(CCC1CO1)ccc2,NA
-O=NN1CCC(=O)CC1,NA
-Cc1ccnc2c1cccc2,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,NA
-NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,NA
-CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,NA
-C[N+]1(C)CCOCC1,NA
-CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,NA
-OCC=O,NA
-O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,NA
-OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,NA
-[O-][N+](=O)c1cc(C)c2c(c1)cccc2,NA
-O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,NA
-O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],NA
-O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,NA
-CC(C(=O)O)Cl,NA
-CC(=C)C(=O)OCC(C)(C)C,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,NA
-COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],TP
-C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,NA
-CC1(OC1)c1ccc(cc1)Cl,NA
-C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,NA
-O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-CCCC[C@H](CNC[C@@H](CCCC)CC)CC,NA
-CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,NA
-CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,NA
-[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,NA
-CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,NA
-CC(Cc1nccs1)C,NA
-[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,NA
-BrCC(=O)Nc1ccccc1,NA
-Nc1[nH]cc2-c(n1)ncn2,NA
-OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,NA
-COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,NA
-OCC(=O)N(c1ccc(cc1)Cl)O,NA
-O=C/C=C/c1ccc(o1)[N+](=O)[O-],NA
-NC(C(=O)O)CSCCCl,NA
-Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,NA
-OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,NA
-CCOCC=O,NA
-Br/C=C/Br,NA
-Brc1cccc(c1)c1ccccc1,FP
-c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,NA
-[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,NA
-O=C/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],NA
-ClC/C=C\Cl,NA
-S=c1ssc(c1C)c1cnccn1,NA
-N#N=Nc1nc2c(n1C)c1cccnc1cc2,NA
-COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,NA
-[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,NA
-CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,NA
-OC(=O)CC(C(=O)O)N,NA
-BrCCCBr,NA
-CC(=O)C=C,NA
-O=C1CC=C(O1)C,TN
-NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccc(c(c1)N)C,NA
-OCC(C(=O)O)N,NA
-OCC(=O)O,NA
-COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,NA
-C1CCOCO1,NA
-Cc1ncc(nc1)C,NA
-Clc1cc2ccccc2c2c1cccc2,NA
-c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,TP
-C/C=C/c1ccc(cc1)OC,NA
-[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,NA
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,FP
-CN(c1nc2c(n1C)ccc1c2cccn1)C,NA
-CN(CCCN1c2ccccc2CCc2c1cccc2)C,NA
-Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],NA
-c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,NA
-CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,NA
-C=CC(=O)OCCCCCC(C)C,NA
-O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],NA
-Cc1ccc2c(c1)ccc1c2cccc1,NA
-OCc1ccc(cc1N)[N+](=O)[O-],NA
-Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,FP
-COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,NA
-CCC(CC(CC(Cl)C)Cl)Cl,NA
-Brc1cc2cccnc2c(c1)C(=O)O,NA
-[O-][N+](=O)NC(=N)N(N=O)CCCCC,NA
-CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,TP
-OOC1(C)c2ccccc2-c2c1cccc2,NA
-Clc1nc2ccccc2nc1Cl,FP
-OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,NA
-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],TP
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-O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,NA
-[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,NA
-CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,NA
-O=NN(c1ncn(c1C(=O)NC)C)C,NA
-COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,NA
-OC(=O)C/C(=C/C(=O)O)/C(=O)O,NA
-OC1C=Cc2c(C1O)nccc2,NA
-OC1C=CC2C(C1O)O2,NA
-O=C1C(=O)C2(C(C1CC2)(C)C)C,NA
-Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,NA
-ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,NA
-ClC(C(=O)C)Cl,NA
-C[C@H](CN(C[C@H](O)C)N=O)O,NA
-O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,NA
-CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],NA
+CC1=CC[C@H]2C[C@@H]1C2(C)C,TN
+Cc1cc(C)c(c(c1)C)N,TP
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+SCC(C(=O)O)NC(=O)C(S)(C)C,TN
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+ClCCCN(COC(=O)C)N=O,TP
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,TP
+Cc1ccc2c(c1)cccn2,FN
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+O(Cc1ccccc1)Cc1ccccc1,TN
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+ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,TP
+Oc1ccc2c(c1)cccn2,TN
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+Clc1ccc(cc1)C(=O)Cl,FP
+O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],TP
+[O-][N+](=O)c1ccccc1[O-].[Na+],TN
+CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,TP
+CC(=O)OCc1ccco1,FN
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,TP
+OCCOCCOCC,TN
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,TN
+COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,FP
+OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],TP
+CCOP(=S)(SCSC(C)(C)C)OCC,TN
+C1CC=C2C(C1)CCc1c2cccc1,TP
+ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,TP
+CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,TP
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,TP
+N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,TP
+Nc1ccc2c(c1S(=O)(=O)O)cccc2,FN
+CN(N=Nc1ccc(cc1)Br)C,TP
+C[n+]1c2ccccc2nc2c1cccc2,TP
+CCCCCCCCC=C,TN
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,TN
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,TN
+COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,TP
+O=CC=C(C)C,TN
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2,TP
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+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,TN
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+OC(=O)c1cc(O)c2c(n1)cccc2,TN
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+CC(COS(=O)(=O)C)C,TP
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+CCCCCCc1ccc(cc1O)O,NA
+CCCCCC(=O)OCC=C,TN
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+CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,TN
+Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,TP
+FC(CCc1ccccc1S(=O)(=O)N)(F)F,TN
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+O=C([C@@H]1OC1)NCc1ccccc1,TP
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+O=C(c1ccccc1O)OCc1ccccc1,NA
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+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,TN
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+O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],FP
+O=NN(COC(=O)C)C,TP
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+O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],FP
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+O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,TP
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+OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,TP
+OCC(CBr)(CBr)CBr,TP
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+Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,TN
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+O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,TP
+c1ccc2c(n1)c1ncccc1cc2,FP
+CSCC(C(=O)O)NC(=O)C(SC)(C)C,TN
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+COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
+OCc1ccc(cc1)F,TN
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+Brc1c(C)c(Br)c(c(c1Br)Br)Br,TN
+CC(S(=O)(=O)Cl)C,TP
+COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,TN
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,FP
+OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,FN
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+c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,TP
+OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,FN
+Cc1c2ccc3c(c2nc2c1cccc2)cccc3,TP
+CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,TP
+OC(=O)Cc1ccc(c(c1)O)O,FN
+C=C[C@H]1CCC=CC1,TN
+CCCCCCCCCCCCOS(=O)(=O)O.[Na+],TN
+CC(=C)C(=O)OCC(C)(C)C,TN
+O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,FN
+ON1C(C)(C)CCCC1(C)C,FP
+O=C1C=CC(=[N+]=[N-])C=C1,TP
+O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,TN
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+Oc1cc(O)c2c(n1)cccc2,FN
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,TP
+ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,FN
+c1ccc2c(c1)[nH]cn2,TN
+CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,TN
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+O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],TP
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+C[n+]1ccc(cc1)c1cc[n+](cc1)C,NA
+c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,TP
+CC(Br)Br,FP
+CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,TN
+CC1=CCC(CC1)C(O)(C)C,TN
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],TP
+c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,FN
+c1ccc2c(c1)cnc1c2cccc1,TP
+OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,TP
+FC(C(Cl)(F)F)(Cl)F,TN
+C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,TN
+CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,TP
+CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,TN
+O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,TN
+CNC(=O)ONC(=O)NC,FN
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,TP
+ONC(=O)c1ccc2c(c1)cccc2,TP
+C[N+]1=CC=C(CC1)c1ccccc1,TP
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,FP
+Nc1ccccc1SCSc1ccccc1N,TP
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+CC(=O)C(=O)C,FN
+OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,FP
+COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,TN
+CCCCN(CC(C1=C/C(=N#N)/C(=O)C=C1)O)N=O,NA
+C[C@@H](c1ccccc1)Br,TN
+CCOP(=S)(OCC(C)C)SCCl,TN
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+O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,TN
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+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,TN
+BrCc1ccccc1CBr,TN
+CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,TN
+CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,TN
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+COc1c2ccc(=O)oc2cc2c1cco2,FN
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+COc1cc(N)ccc1NC(=O)C,TP
+CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,TN
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+[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,TP
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+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,TP
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+O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,TN
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+Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,TN
+CC(=O)OCc1ccc2c(c1)OCO2,TN
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+[N-]=[N+]=NCc1ccccc1,TP
+C[C@]12CC[C@H](CC1)C(O2)(C)C,TN
+OC(COc1cccc2c1cccc2)CNC(=O)C,TN
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+OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,TP
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+[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,TP
+Clc1cc(Cl)nc(n1)N,TN
+COCCN(c1c(C)cccc1C)C(=O)C(=O)O,TN
+COc1nc2c(CBr)cccc2nc1OC,NA
+Fc1c[nH]c(=O)[nH]c1=O,FP
+[O-][n+]1ccc(cc1)[N+](=O)[O-],TP
+CCC=O,TN
+CCCCCCCCC(=O)OCC=C,TN
+Cc1ccc(c(c1)C)O,TP
+CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,NA
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],TP
+CCCC(=O)Nc1snc2c1ccc(c2)Cl,TN
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+Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,FN
+[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,TP
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+O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,NA
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+CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,TN
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+OC(=O)Cc1cccc2c1cccc2,TN
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+COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,TN
+COc1ccccc1C[C@H]1CO1,TP
+Nc1cccc(c1C)N,TP
+ClCC(Cl)(Cl)Cl,TN
+O=S1(=O)CCCC1,TN
+OC(=O)C(Cc1ccc(cc1)O)N,TN
+O=Nc1ncn(c1c1ccccc1)C,TP
+C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,TN
+CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,TN
+CO[C@@H](C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,NA
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,NA
+c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,TP
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,NA
+COc1cc(CNC(=O)[C@H](Br)C)ccc1O,TP
+[O-][N+](=O)c1cc(O)c(cc1Cl)N,TP
+[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,TP
+CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,TN
+CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,TN
+CC1=CC(=O)C(=CC1=O)C,NA
+ONc1nc2c(n1C)cc(cn2)c1ccccc1,TP
+C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,TN
+c1ccc2c(c1)scn2,TN
+COc1cc2c(cc1OC)nc1c(c2O)cccc1,TP
+O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,TN
+N#CCc1ccccc1,FP
+NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,FP
+O=C1CCc2c1c1c(cc2)ccc2c1cccc2,FP
+Nc1ccc(cc1)F,TP
+CCSCCSP(=O)(OC)OC,TN
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,TP
+CSc1cc(SC)c(c(c1N)C)N,TP
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,TP
+O=C(C(F)(F)F)C(F)(F)F,TN
+[O-][N+](=O)c1ccc2c(c1)NCC2,TP
+COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,TN
+Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,TN
+OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,TN
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,TP
+COc1c2cc(OC)ccc2nc2c1cco2,TP
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,TN
+CC(=O)O.CCCCCCCCCCCCNC(=N)N,TN
+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,TP
+[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,TP
+CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,TP
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,TP
+[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,TP
+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,TN
+CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,TN
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,TN
+OCCI,TP
+O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,TP
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,TP
+OOC([C@@H]1CC[C@H](CC1)C)(C)C,FN
+CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,TN
+CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,TN
+CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,TN
+Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,TP
+Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,TN
+O=CC[C@H](CCC=C(C)C)C,TN
+Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,NA
+COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,FP
+Oc1ccc(cc1N)S(=O)(=O)O,TN
+c1ccc2c(c1)cc1c3c2C=Cc3ccc1,TP
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,TN
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,TN
+COc1cccc(c1O)C=O,TN
+COCCOC(=O)C=C,TN
+COP(=O)(O)O,TN
+CC(NC(=O)Nc1ccccc1)C,TN
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,TN
+CCc1cnccn1,TN
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,TP
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,TP
+OC(=O)CN=N#N,TN
+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],TN
+COc1ccc(c(c1)O)C(=O)c1ccccc1O,FN
+Nc1cn[nH]c(=O)c1Cl,FP
+O=Nc1ccc(cc1C)OP(=S)(OC)OC,FN
+ClC=C(C)C,FN
+CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,TN
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,TP
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,TP
+Cc1cc(O)nc(n1)S,TN
+CCS(=O)(=O)c1cccnc1S(=O)(=O)N,TN
+CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],TN
+O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,TP
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,TP
+O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],TP
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,TN
+[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],TN
+[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,TP
+Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],TP
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,TN
+O=c1[nH]ncc2c1cccc2,TN
+CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,TN
+CC(=O)/C=C\c1ccc2c(c1)OCO2,TN
+c1ccc2-c3ncsc3CCc2n1,FP
+CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,TN
+CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,TP
+CCN(c1ccccc1)CC,TN
+CCCN(CCCC(=O)O)N=O,TP
+C[C@H]1CC(=O)O1,FN
+[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,TP
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,TN
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,TP
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,TN
+O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,TN
CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,TP
-OC1OC(=O)C(=C1C)Cl,NA
-c1ccc2c(c1)[nH]c1c2ccnc1,NA
-N[C@@H](C(=O)O)CS,NA
-ClCc1cccc(c1)[N+](=O)[O-],NA
-CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,NA
-O=CCC(c1ccc(cc1)C(C)(C)C)C,FP
-O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,NA
-CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,NA
-O=C/C(=C/c1ccccc1)/Br,NA
-COC(=O)CCCCC(=O)OC,NA
-OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,NA
-CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,NA
-Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],NA
-Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,NA
-O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,NA
-Cc1cc2ncccc2c2c1n(C)c(n2)N,NA
-Clc1cc(Cl)nc(n1)Cl,NA
-[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,NA
-CCOc1ccccc1[N+](=O)[O-],TP
-c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,NA
-C=C[C@H]1CO1,NA
-S=C(NC1CCCCC1)NC1CCCCC1,TN
-CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,NA
-CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,NA
-Oc1ccc(cc1N)S(=O)(=O)O,NA
-CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,NA
-CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,FP
-ON=C,NA
-Clc1cc(Cl)c2c(c1O)nccc2,NA
-OCCc1c(nc(n2c1ncn2)N)c1ccccc1,NA
-Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,NA
-ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,NA
-Nc1ccc2c(n1)c1ccccc1cc2,TP
-ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,NA
-C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,NA
-N#Cc1ccc2c(c1)n(C)c(n2)N,TP
-N#Cc1cc(Br)c(c(c1)Br)O,NA
-CC(N(C(C)C)N)C,NA
-CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,NA
-C=C1CC(=O)O1,NA
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,NA
-CCCC[C@H](COCCCN)CC,NA
-OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],NA
-O=NN(C(=O)c1c(NC)ncn1C)C,NA
-C[Si](O)(C)C,TN
-[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],NA
-COc1cc(ccc1N)c1ccc(c(c1)OC)N,TP
-CCOc1ccc(cc1N)N,NA
-[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],NA
-O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,NA
-Cn1c(N)nc2c1cc1cnccc1n2,NA
-c1ccc(nc1)c1cccnc1,NA
-CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,NA
-COC(=O)c1ccc(cc1)CN(N=O)C,NA
-O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,NA
-O=C1CCC(N1C)c1cccnc1,FP
-Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,NA
-OC(=O)CCC(=O)O,NA
-Nc1cc(Cl)c(c(c1)Cl)Cl,NA
-CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,NA
-CN1CCN(CC1)C,NA
-O/N=C(/c1cc(O)c(c(c1)O)O)\N,NA
-CNC,NA
-Brc1c(C)c(Br)c(c(c1Br)Br)Br,NA
-[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,NA
-OCCCN=N,NA
-CC=O,NA
-OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,NA
-c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,NA
-OCC#C,NA
-[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],NA
-OCCCCN(CCO)N=O,NA
-[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,NA
-OCC(Cc1ccccc1)CN=N#N,NA
-Brc1ccc2c(c1)C=CC1C2CCCC1,FP
-Cc1nsc(c1)N,NA
-CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,NA
-OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,NA
-O=NN(c1ccccc1)c1ccccc1,NA
-S=C1SSC2=NCCN12,NA
-COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,NA
-Cc1ccc(cc1)CC1OC1,NA
-O=C1CCCCCN1,NA
-Nc1nc2c(n1C)ccc1c2cccn1,NA
-CN(N=O)C[C@H](O)C,NA
-Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],NA
-C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,TP
-OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,NA
-CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,NA
-ClCCOC/C(=C\Cl)/Cl,NA
-O=Cc1cccc(c1)c1ccccc1,NA
-CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,FP
-COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,NA
-COC(=O)CC(=O)OC,NA
-Clc1ccc(c(c1)N)O,NA
-Nc1sc2c(n1)cc(c(c2)C)C,NA
-SCC(C(=O)O)NC(=O)C(S)(C)C,NA
-c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,NA
-Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,FP
-Cc1nc2c(nc1C)ccc1c2nc(n1C)N,NA
-[O-][N+](=O)c1ccccc1N,NA
-c1ccc[nH]1,NA
-FC(I)(F)F,NA
-Cc1nc2c(nc1C)ccc(c2C)N,NA
-COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,NA
-[O-][N+](=O)c1cc(N)c(c(c1)N)C,NA
-O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,NA
-N#Cc1cc(c2ccncc2)c(nc1O)C,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,FN
-OCc1ccc(cc1)NNC(=O)C,NA
-Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,NA
-CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,NA
-Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,NA
-NNc1ccc(cc1)[N+](=O)[O-],NA
-CC[C@H]([C@@H](CO)C)C,FP
-[O-][n+]1ncc2c(c1)cccn2,NA
-Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,TP
-[O-][n+]1cccc2c1C=CC1C2O1,NA
-Cl/C=C\Cl,NA
-CC(=O)Nc1cccc(c1)O,NA
-O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,NA
-Oc1ccc(cc1)/C=N/c1snc2c1cccc2,NA
-O=Nc1ccc(cc1)C(=O)C,NA
-OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,NA
-OOC(c1ccccc1)(C)C,NA
+ClCC(C(Br)(C)C)Br,FP
+O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,TP
+OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,NA
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,TN
+Clc1cccc(n1)C(Cl)(Cl)Cl,FN
+[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,FP
+Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,FN
+ClCC(=O)N(c1snc2c1cccc2)C,FP
+[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,TP
+CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,FP
+Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,FP
+OCCBr,TP
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],TP
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,TP
+C[Si](N=N#N)(C)C,FN
+ClC(=O)c1ccccc1C,FN
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,TP
+Oc1ccnc2c1cccc2,FP
+O=C1CCC(=O)O1,FP
+OC(=O)c1ccc(c2c1snn2)O,TN
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+CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,TP
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+CC1CCCO1,TN
+Cc1cccc2c1c1cc3ccccc3cc1cc2,TP
+O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,TN
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,FP
+Fc1cccc2c1c1cccnc1cc2,TP
+OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,NA
+O=S1(=O)OCCCO1,TP
+O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,TN
+CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,TN
+O=c1ccoc(c1O)C,FN
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,TN
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,TP
+CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,TN
+COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,TN
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,TN
+Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,TN
+Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
+OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,TN
+O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,TN
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,TN
+Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,TP
+O=C/C=C(\CCC=C(C)C)/C,TN
+Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,TN
+O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,NA
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,TP
+OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,TN
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,TP
+Nc1ccc(c(c1)C)C,TP
+Nc1ncn[nH]1,FN
+Nc1ccc(c(c1)N)[N+](=O)[O-],TP
+Oc1ccc(c2c1c(O)c1ccccc1c2O)O,TP
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,TP
+Nc1ccc(cc1F)c1ccc(c(c1)F)N,TP
+CN(CC[C@H](c1ccccn1)c1ccccc1)C.OC(=O)/C=C\C(=O)O,TN
+[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],TP
+O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,TN
+[N-]=[N+]=CC(=O)NCC(=O)NN,TP
+OCc1ccc(cc1)NS(=O)(=O)N(C)C,NA
+[O-][N+](=O)c1ccc2c3c1cccc3C=C2,TP
+ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,TP
+Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,TP
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,TP
+OC(=O)/C=C/c1ccccc1,TN
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,FP
+[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,TP
+CC(Nc1snc2c1cccc2)C,TN
+O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,FP
+O=C/C=C/c1ccco1,TN
+NNc1scc(n1)c1ccc(cc1)N,NA
+[O-][N+](=O)c1ccccc1[N+](=O)[O-],TP
+S(Cc1ccccc1)SCc1ccccc1,FN
+CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,TP
+O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,TP
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,TP
+Clc1cc(Cl)nc(n1)Cl,TN
+NNC(=O)CNc1ccc2c(c1)cccc2,TN
+CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,TN
+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,TN
+COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,FN
+CCCC(=C)C=O,TP
+c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,TP
+Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,TP
+O=CN(N=O)C,TP
+SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,TN
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,TN
+OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,TN
+COC(=O)c1ccccc1S(=O)(=O)N,TN
+C1CCSCS1,FN
+Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
+[O-][N+](=O)NC(=N)N(N=O)CCCC,TP
+CC(=O)OCc1ccc(cc1)[N+](=O)[O-],FN
+Cc1ccc(c(c1)S(=O)(=O)O)N,FP
+OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,TN
+CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,TP
+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,TP
+Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,FP
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,TP
+Clc1ncccc1Cl,FN
+O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,FN
+O[C@@H](c1ccccc1)[C@H](N)C,TN
+CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,TN
+OCc1c(CO)cnc(c1O)C.Cl,NA
+COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,NA
+[O-][N+](=O)c1cc2ccccc2cc1C,FP
+Nc1cccc(c1)S(=O)(=O)O,TN
+CC12OOC2(C)c2c(O1)ccc1c2cccc1,FP
+C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,FN
+CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,TN
+[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,TP
+CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,TP
+CCCON(C(=O)c1ccccc1)OC(=O)C,TP
+C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,NA
+OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,TN
+c1cnc2c(c1)CCC1C2O1,TN
+O=CC(=O)c1ccccc1,FN
+ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,TP
+CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,TN
+Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,FP
+COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],TP
+CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,TN
+Clc1cc(O)c(c(c1)Cl)Cl,TN
+C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,TP
+Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,TP
+N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,FP
+[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],TP
+CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,TP
+NC(=N)c1c(F)c(F)ccc1C(F)(F)F,TN
+N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,TN
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,TP
+OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,TN
+OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,TP
+Nc1cccc2c1c1ccccc1cc2,FP
+O=NN(C(=O)c1c(NC)ncn1C)C,FN
+O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,NA
+Oc1ccc2c(c1N)cccc2,FP
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,TN
+Cl/C=C(\SCc1ccccc1)/Cl,TP
+O=C1CCCO1,TN
+COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,TN
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,TN
+O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,TP
+COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,TN
+Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,TN
+CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,TP
+N[C@@H](C(=O)O)Cc1ccccc1,FP
+OCc1cccc(c1)Oc1ccccc1,TN
+CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,TP
+Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,FP
+COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,TP
+COc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,TN
+CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],TP
+COC=C,TN
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,TP
+N#Cc1ccc2c(c1)nc([nH]2)N,TP
+Oc1ccc(cc1)C(=O)O,TN
+Nc1sc2c(n1)c(Cl)ccc2,TN
+CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,FP
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],TP
+CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,TN
+CCc1c2ccccc2cc2c1c1ccccc1cc2,FP
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,FN
+CC1CCc2c(C1)occ2C,TN
+COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,TP
+C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,TN
+COc1nc(NC(=O)N)nc(c1)OC,TN
+c1ccc(cc1)Cc1ccccc1OCC1CO1,TP
+CCN=NC(OO)(C)C,FP
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,TN
+CNC(=O)Nc1ccccc1,TN
+COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,TN
+OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,FN
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,TN
+CCCCOP(=O)(Oc1ccccc1)OCCCC,TN
+OC(=O)c1cccc2c1OC(O2)(F)F,TN
+O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,TN
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,TP
+CCN([N+](=NO)[O-])CC,TP
+c1scc(n1)c1nc2c([nH]1)cccc2,TN
+OCc1ccc(cc1)NNC(=O)C,TP
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],TP
+CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,TN
+CCOc1ccc(cc1)NO,FN
+CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],TN
+CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,TN
+Nc1nc2c([nH]1)cccc2,TN
+Clc1ccccc1Cl,TN
+Cl/C=C(/C(Cl)Cl)\Cl,TP
+BrCCC(Br)Br,TP
+COC(=O)Nc1nc2c([nH]1)cccc2,FN
+OCc1ccccc1,FP
+OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,TP
+CCSCCOP(=S)(OC)OC,TN
+C=CC(=O)NC(CC(=O)C)(C)C,TN
+COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,TN
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,TP
+CC1=CC2CCCCC2c2c1cccc2,TP
+c1cnc2c(c1)c1c(cc2)CCC2C1O2,TP
+Nc1cccc(n1)N,FN
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,TN
+OCc1cccc(c1)[N+](=O)[O-],FP
+CC(=O)N(c1ccc2c(c1)cccc2)O,TP
+C=C[Si](Cl)(Cl)C,FN
+COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,TP
+Nc1ccc(c(c1Cl)Cl)Cl,TN
+O=C1CC=C(O1)C,TN
+CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,TN
+Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,TP
+Oc1c2ccccc2nc2c1cco2,TN
+CN(c1nc2c(n1C)ccc1c2cccn1)C,TP
+Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,TP
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,NA
+O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,FP
+Cc1nccc2c1[nH]c1c2cccc1,TP
Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,TP
-OC(=O)CN(CC(=O)O)CC(=O)O,NA
-COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,NA
-C[C@@H](c1ccccc1)CCc1ccccc1,NA
-Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,NA
-CS(=O)C,NA
-CNC(=O)c1ccccc1,FP
-O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],NA
-COCCOC,NA
-Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,NA
-COP(=O)(O)O,NA
-CCCCOC(=O)C,NA
-ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,NA
-OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,NA
-ClCc1ccc(cc1)OC,FP
-ClC(C(=O)C(Cl)Cl)Cl,NA
-O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],FP
-CC[C@H]1CO1,NA
-Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,NA
-C=CN=Nc1ccccc1,NA
-CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,NA
-CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,NA
-Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,NA
-O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,NA
-Oc1ccc(c(c1)O)O,NA
-CNC=O,TN
-Fc1cccc2c1ccc1c2nccc1,NA
-OCC1OC(CC1O)n1cc(O)c(nc1=O)N,NA
-O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],NA
-CC(C(=O)NCc1ccccc1)NCc1ccccc1,NA
-O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,NA
-[O-][N+](=O)c1ccc(c(c1)C)C,NA
-Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,NA
-COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,NA
-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,NA
-O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],NA
-Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,NA
-C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,NA
-OC(=O)C1OC(O/N=C(/c2ccccc2)\N)C(C(C1O)O)O,NA
-CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,NA
-O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,NA
-Clc1ccc(c(c1)C(=O)O)Cl,NA
-CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,NA
-[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,NA
-ClCc1ccc(cc1)OC(=O)C,NA
-Oc1[nH]cnc2-c1cnn2,NA
-Nc1ccccc1O,TP
-O=NN1CCSCC1,NA
-CC1(CO1)C=C,NA
-CNC1Cc2cccc3c2c(C1)ccc3,NA
-Nc1ccc2c(c1)cc1c([n+]2C)cccc1,NA
-Oc1cc2ccccc2c2c1c1ccccc1cc2,NA
-C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,NA
-Nc1ncnc2c1ncn2Cc1ccccc1,NA
-Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,NA
-CC(CON=O)C,NA
-ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,NA
-CCOC(/C=C(\CCC=C(C)C)/C)OCC,NA
-CCCc1ccc2c(c1)OCO2,NA
-OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,NA
-CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,NA
-Nc1ccc(c2c1cccc2)N,NA
-Cl/C=C(/C(Cl)Cl)\Cl,NA
-CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,FP
-ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,NA
-Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,NA
-Oc1cccc(c1)O,TN
-CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,NA
-Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,NA
-O=Cc1ccc2-c1cc(ccc2C)C(=C)C,NA
-COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],NA
-OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,NA
-OC(=O)c1c(Cl)cccc1Cl,NA
-O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,NA
-CC(=O)Nc1ccc(cc1)C(=O)O,NA
-[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],NA
-[O-][N+](=O)/C=C/c1ccco1,NA
-COC1=CC(=O)C=CC1=O,FP
-O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,NA
-CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,NA
-C/C=C/c1ccc(cc1OC)OC,NA
-BrCC1=C(Cl)C(=O)OC1,NA
-[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,NA
-ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,NA
-N#CC1(O)CCCCC1,NA
-ONC(=O)c1ccc(c(c1)O)O,NA
-CC(CC1NC(=O)CNC1=O)C,NA
-c1ccc(cc1)/C=C/c1ccccc1,NA
-[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,NA
-Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],NA
-Brc1c(O)c(Br)c(c(c1Br)Br)Br,NA
-C[C@H](COC(C)(C)C)O,NA
-O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,NA
-O=NN1CCCCCCC1,NA
-Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,NA
-O=C1NC(=O)NC(=O)C1(O)O,NA
-OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,NA
-CC[C@H]([N+](=O)[O-])CO,NA
-ClCCNc1ccc(cc1)CCCC(=O)O,NA
-Cc1ccc(cc1)Cl,NA
-OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,NA
-Fc1cc2cccnc2c2c1cccn2,NA
-Cc1cc(C)c2c(c1N)nsn2,NA
-ONc1cccc(c1)c1ccccc1,NA
-Nc1ccc2c(c1S(=O)(=O)O)cccc2,NA
-OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,NA
-OC(=O)CCCc1c[nH]c2c1cccc2,NA
-C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,NA
-Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],NA
-Clc1cc(Cl)c(c(c1)Cl)O,NA
-Cc1ccco1,NA
-C=CCNCC=C,NA
-[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,NA
-OC1COC(C(C1O)O)Nc1ccc(cc1)C(=O)O,NA
-O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,FP
-CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,NA
-CC(=O)c1ccc[nH]1,NA
-COc1cc(N)c(cc1N)OC,TP
-c1ccc2c(c1)Sc1c(O2)cccc1,NA
-[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,NA
-COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,NA
-C=Cc1cccnc1,FP
-O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,NA
-Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,NA
-OCCSN=O,NA
-O=NN1CCNC1=O,NA
-CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,NA
-C/C=C/Cl,NA
-Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,NA
-[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,NA
-c1ccc2c(c1)c1sc3c(c1cc2)cccc3,NA
-[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],NA
-c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,NA
-CC([N+](=O)[O-])C,NA
-OCC(COP(=O)(O)O)O,NA
-O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,NA
-CCN(N=O)CC,NA
-CC(=O)c1ccc(cc1)[N+](=O)[O-],NA
-COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,NA
-COC12OOC2(C)Oc2c1cccc2,NA
-COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,NA
-O=NN(C(=O)N)C[Si](C)(C)C,NA
-BrCC(CBr)Cl,NA
-Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],NA
-CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,NA
-OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,NA
-O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,NA
-CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-C1COC1=O,NA
-NC(=O)c1ccccc1O,NA
-CC1CCN(CC1)N=O,NA
-C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,NA
-CC(OC[C@@H]1OC1)(C)C,NA
-Clc1ccc(c(c1)Cl)C(=O)Cl,NA
-Cc1ccc(c(c1)C)O,NA
-CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,NA
-NCCCCCCCCCCC(=O)O,NA
-NCCCl,NA
-[O-][n+]1cccc2c1c(O)ccc2,NA
-CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,NA
-Cn1cnc2c1c(=O)[nH]c(=O)n2C,NA
-CC(CC(=O)Nc1ccc(cc1)O)O,NA
-OC(=O)c1ccc(cc1)[N+](=O)[O-],NA
-OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,NA
-O=C1CCCCC1=O,NA
-CCC/C=C/C=O,NA
-[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,NA
-OC(=O)C(CCl)Cl,NA
-C=CC=O,NA
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,NA
-CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,NA
-OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,NA
-O=C1OCCN1P(=O)(N1CCOC1=O)Cl,NA
-ClC1=C(Cl)C(=O)OC1,TP
-Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],NA
-NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,NA
-COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,NA
-COC(=O)c1ccco1,NA
-OCc1ccc(cc1)O,NA
-CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,NA
-c1ccc(nc1)c1cccc(n1)c1ccccn1,NA
-Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,NA
-Clc1ccc(cc1)S(=O)(=O)C,NA
-C[n+]1cccc(c1)OC(=O)N(C)C,NA
-CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,NA
-c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,NA
-C=CC#N,NA
-COC(=O)Nc1nc2c([nH]1)ccc(c2)O,NA
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,NA
-CCN(c1ccc(cc1)N=Nc1ccccc1)CC,NA
-CCOCCOC(=O)/C=C\c1ccc(cc1)OC,NA
-Nc1nc2c([nH]1)cccc2,NA
-OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,FP
-O=C(OC(C)(C)C)CN=N#N,NA
-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,NA
-[O-][N+](=O)c1cccc(c1N)N,NA
+ClCC1=CC(=O)OC1,TP
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,TP
+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,FP
+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],TP
+ClC(C1=C(Cl)C(=O)OC1O)Br,TP
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+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,TP
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],TP
+CCCCCN1C2C1c1ccccc1-c1c2cccc1,TP
+[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,TP
+O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,TN
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+Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,TP
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,TP
+CNc1ccc2c(c1C)nc(cn2)C,TP
+C[N+]1(C)CCOCC1.Cl,TN
+ClCCN(P1(=O)OCCCN1CCCl)CCCl,TP
+COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,TP
+CCOC(=O)c1ccccc1C(=O)OCC,TN
+Clc1ccc2c(c1)nsc2N,FN
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+CC(=O)c1ccc[nH]1,FN
+Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,TP
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,TP
+CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,TN
+CC(CCOC(=O)CC(C)C)C,TN
+ClC(C(=O)C)Cl,FN
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+OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,TP
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+Nc1sc2c(-c3cccnc3CC2(C)C)n1,TP
+CC1=CC[C@H](CC1)C(=C)C,TN
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+Cc1ccc2c(c1)nn[nH]2,TN
+OCC#C,FN
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+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,TP
+c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,FP
+CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,TN
+Clc1cccc(c1)C(=O)O,TN
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+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],TN
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+CC(Nc1ccc(cc1)Nc1ccccc1)C,TN
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+Cc1ccc(cc1)N=NN(C)C,TP
+O=CN(C)C,TN
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+CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,NA
+NCCc1ccc(c(c1)O)O,FN
+C1OC(=O)C=C1,TN
+Fc1cnc2c(c1)cc(c1c2cccc1)F,FP
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,TP
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,NA
+Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,TN
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+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],TN
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,TP
+CC(OS(=O)(=O)C)C,FN
+C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],NA
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+Clc1cc(Cl)cc(c1)Cl,TN
+Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,NA
+C1NCCS1,FN
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+N#C/C(=C(/C#N)\N)/N,TN
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+c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,TP
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+CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,TN
+O=C(c1cccc2c1nccc2)OCc1ccccc1,TN
+Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,TN
+Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],TP
+COc1nncc2c1cncc2,TN
+Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,TP
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,TP
+OC(=O)[C@H](CC[S@](=O)(=N)C)N,TN
+CCCCCCCCCCCCCCCC(=O)O,TN
+N#Cc1cccc(c1)[N+](=O)[O-],TP
+Cc1cccc2c1nccc2,TP
CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,TP
-OC[C@@H]1CO[C@H](O1)[C@@H](I)C,NA
-Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,NA
-O=C1C2OC2C2c3c1c(O)ccc3C1c3c2ccc(c3C(=O)C2C1O2)O,NA
-CCCCCCOC(=O)C(=C)C,NA
-CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,NA
-O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,FP
-Nc1ccc(cc1)Br,NA
-[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,NA
-Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,NA
-Nc1cc2c(c3c1cccc3)ccc1c2cccc1,NA
-CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,NA
-NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,NA
-Cc1ccccn1,NA
-Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,NA
-CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,NA
-Cn1c(N)nc2c1cc(cn2)c1ccccc1,NA
-Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,NA
-CNCCCC(=O)O,NA
-O=C/C=C\c1ccccc1,NA
-ClC(Cl)(Cl)Cl,NA
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-O=C1CCCO1,NA
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-O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,NA
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-CCN(C(=S)SSC(=S)N(CC)CC)CC,NA
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+ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,TN
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-C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,NA
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-[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,NA
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-O=C1CCc2c(O1)cccc2,NA
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-[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],NA
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-OOCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,NA
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-[O-][N+](=O)c1cccc(c1O)N,NA
-COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,NA
-CC1(C)C2CC3C(C1C2)(C)O3,NA
-[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,NA
-CC(=O)Nc1ccc2c(c1)cccn2,NA
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-OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,NA
-CCCCCN(CCCCC)CCCCC,NA
-COc1cc(OC)c2c(c1)OC1C2C2OC2O1,NA
-Clc1nncc2c1nccc2,NA
-CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,NA
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-O[C@@H](COc1cccc2c1cccc2)CNC(C)C,NA
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-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,NA
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+CCN(C(=O)N)N=O,TP
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Clc1ccc(cc1)SCc1ccc(cc1)Cl,NA
-C/C(=N/O)/C(=O)C,NA
-BrCBr,NA
-NCCCN(CC)CC,FP
-N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,NA
-COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],NA
-O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,NA
-CC(C(CBr)Br)Cl,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,NA
-CN(c1nc(nc(n1)N(C)C)N(C)C)C,NA
-C1CCCCC1,NA
-OCC(C(C(C1SCCN1N=O)O)O)O,NA
-CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,NA
-c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,NA
-Cc1ccc(cc1)N=NN(C)C,NA
-C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,NA
-Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],NA
-O=NN(Cc1cccc(c1)C#N)C,TP
-c1nccs1,NA
-Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,NA
-Clc1ccncc1,NA
-C[C@H](COC[C@H](O)C)O,NA
-CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,NA
-O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,NA
-NC[C@H](N)C,NA
-CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,FP
-OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,NA
-OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,NA
-Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,NA
-OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,NA
-CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,NA
-Fc1cccc2c1cccn2,NA
-Clc1ccc(c(c1)N)C,NA
-O1CCOCCOCCOCCOCCOCCOCC1,NA
-OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,NA
-S1CC1,NA
-C1OC(=O)C=C1,NA
-O=NN(C1OCC(C(C1O)O)O)CCc1c[nH]c2c1cccc2,NA
+Clc1ccc2c(n1)cccc2,TN
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+Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,NA
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+OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
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+N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,TN
+CCOCC=O,TN
+CNC=O,TN
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+[O-][N+](=O)c1cnc(s1)N,TP
+CCCCOCCOCCSC#N,TN
+OC(COc1cccc2c1cc[nH]2)CNC(C)C,TN
+CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,TN
+COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],NA
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+O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,TP
+Cc1ccccc1O,TN
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+[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],TP
+OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,TN
+Sc1ncnc2c1[nH]cn2.O,TP
NNC(=O)CN(c1ccc2c(c1)cccc2)C,NA
-COc1nsc2c1ccc(c2)[N+](=O)[O-],NA
-CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,NA
-[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,NA
-CCC(=O)C(=O)C,NA
-CCCCC#N,NA
-ON(c1ccc(cc1)Br)C(=O)C,FP
-ONc1c(C)cccc1C,NA
-Cc1cc(O)c(c(=O)o1)C(=O)C,NA
-c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,NA
-CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,NA
-BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,NA
-CC(C1CCC2(CC1)OC2)(C)C,NA
-[O-][N+](=O)c1ccc2c(c1)cccc2C,NA
-COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,NA
-CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,NA
-CC1c2ccccc2-c2c1cc(C)c(c2)C,TP
-Cc1c2ccccc2c(c2c1cccc2)C,NA
-OC(=O)Cc1c[nH]c2c1cc(O)cc2,NA
-N#CSCSC#N,NA
-Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,NA
-[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],NA
-[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,NA
-COc1ccc(cc1)/C=C/c1ccc(cc1)N,NA
-OC1C(O)C(OC(C1O)C(=O)O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,NA
-Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],NA
-O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,NA
-O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,NA
-BrCC#C,NA
-Cc1ccncc1,NA
-NCCC(N)C,NA
-CCCC(C(=O)O)CCC,NA
-CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,TP
-CCSCCOP(=S)(OC)OC,NA
-CC(COS(=O)(=O)c1ccccc1)C,NA
-N#N=NCCC(c1ccccc1)c1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)cccc2,NA
-CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,NA
-CCNC(=S)NCC,NA
-CCCC[C@H](CO)CC,NA
-Oc1ccc(cc1)OP1(Oc2ccc(cc2)O)NP(Oc2ccc(cc2)O)(Oc2ccc(cc2)O)NP(N1)(Oc1ccc(cc1)O)Oc1ccc(cc1)O,NA
-ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,NA
-CCCCCCCCCCCCC=C,NA
-N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,NA
-O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,NA
-CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,NA
-CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,NA
-[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,NA
-CCON(C(=O)c1ccccc1)OC(=O)C,NA
-Nc1cccc2c1cc1ccccc1n2,NA
-O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,NA
-Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,NA
-O=Cc1ccccc1,NA
-CCCCCCCCCCCC=C,NA
-CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,FP
-CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,NA
-CC(=O)OCc1ccccc1,FP
-OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,NA
-COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,NA
-COC(=O)c1ccccc1C(=O)OC,NA
-BrCc1cccc(c1)CBr,NA
-c1ccc(cc1)[Se][Se]c1ccccc1,NA
-Clc1cccc(c1O)Cl,NA
-Cc1cc2cc3ccccc3cc2c2c1cccc2,NA
-ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,NA
-OC(CO)CN=N#N,NA
-Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,NA
-CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,NA
-O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,NA
-O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,NA
-CN1CCC[C@@H]1c1cccnc1,NA
-Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,NA
-NC(=S)c1c(Cl)cccc1Cl,TP
-CC(=O)N(c1snc2c1cccc2)C,NA
-c1ccc(cc1)/C=N/c1snc2c1cccc2,NA
-c1cc(OCC2CO2)c2c(c1)cns2,NA
-OCNC(=O)NCO,NA
-OC1C(O)C(O)COC1N(c1ccc(cc1)C)N=O,NA
-CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
-CCNCC,NA
-C1O[C@H]1C=O,FN
-COc1cc(ccc1NC(=O)C)NC(=O)C,NA
-CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,NA
-[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,TP
-CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,NA
-CC1(CO1)C1CO1,NA
-ClCc1ccc(cc1)C,NA
-COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,NA
-CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,NA
-CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,FP
-OC[C@@H](CBr)Br,FN
-Nc1ccc(c(c1)O)[N+](=O)[O-],NA
-ClCc1ccc2c3c1-c1ccccc1-c3ccc2,NA
-Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,NA
-Nc1ccc2c(c1)nc1c(n2)cccc1,NA
-O[C@H](C(=O)c1ccccc1)c1ccccc1,NA
-OCCOC(=O)C=C,NA
-CC(=O)CCC(=O)C,NA
-[O-][N+](=O)c1cccc2c1cccc2C,NA
-OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,NA
-O=NN(Cc1ccccc1)Cc1ccccc1,NA
-COc1ccc(cc1N)NOS(=O)(=O)O,NA
-O1CCN(CC1)Sc1nc2c(s1)cccc2,NA
-CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,NA
-NC(C(S)(C)C)C(=O)O,NA
-O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,NA
-O=C1CCCCC1,FP
-ClCCNC(=O)N(CCCl)N=O,NA
-c1ccc2-c3ncsc3CCc2n1,NA
-COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,NA
-O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,NA
-CC(c1ccccc1)Cl,NA
-CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,NA
-N1CCc2c(C1)cccc2,NA
-CCCCc1cc(C)cc(c1O)CCCC,NA
-C1CCC2C(C1)c1ccccc1CC2,NA
-CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,NA
-COC(=O)C(NC(=O)C)CSCC(Br)C,NA
-OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,NA
-CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,NA
-ONc1ccc(c(c1)[N+](=O)[O-])C,NA
-COc1cc(C=C)ccc1O,NA
-CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,NA
-CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,NA
-COP(=O)(OC)O,NA
-[O-][N+](=O)c1ccccc1C(=O)C,NA
-Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,NA
-OC(c1c(C)cccc1[N+](=O)[O-])O,NA
-Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,NA
-Oc1[nH]nc2c1cccc2,NA
-CN1CCNCC1,NA
-O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,NA
-c1ccc2c(c1)ccc1c2ccc2c1ccnc2,NA
-[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-Cc1ccc2c(c1)cccc2,NA
-[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,NA
-CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,NA
-CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,NA
-OCN=N,NA
-CN(C)C,NA
-NC1CCCCC1,NA
-CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,FN
-CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,NA
-COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,NA
-O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,FP
-C(C1OC1)CC1OC1,NA
-CCCCCN(CCCCO)N=O,NA
-CC(=O)Nc1ccc(cc1)[N+](=O)[O-],NA
-Clc1ccc2c(c1)cc1c(c2)cccc1,NA
-[O-][N+](=O)[CH-]CCCC,NA
-Cc1cc2c(nc1N)[nH]c1c2cccc1,NA
-COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,NA
-CC(C(=O)N)Br,NA
-Nc1cc2ccc3c4c2c(c1)ccc4ccc3,NA
-NC(=N)N,NA
-OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],NA
-NC(=O)CI,NA
-Nc1cc(N)c(c(c1)[N+](=O)[O-])C,NA
-CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,NA
-O=Nc1cccc(c1)C,NA
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,NA
-OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,NA
-OC(=O)c1occ(c1c1ccccc1)c1ccccc1,NA
-O=C(c1ccccc1)Nc1snc2c1cccc2,NA
-[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,NA
-CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,NA
-O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,FP
-Fc1ccc(c2c1ccc1c2nccc1)F,NA
-CCOC(=O)CBr,NA
-Cc1ccc(cc1)O,NA
-COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-Cc1cccc2c1c1cc3ccccc3cc1cc2,NA
-[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],NA
-Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,NA
-CN(c1ccc(cc1)N)C,NA
-N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,NA
-COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],NA
-[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,NA
-CCCCN(CCO)N=O,NA
-O=CC=O,NA
-O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,FP
-OC(=O)C(=O)O,NA
-CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,NA
-O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,NA
-O=CCCCC=O,NA
-OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,NA
-NC(=O)OCc1ncc(n1C)[N+](=O)[O-],NA
-OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,NA
-ClCCN(CCCl)C,NA
-O=C1C=CC(=O)c2c1cccc2,NA
-OC(=O)Cc1cccc2c1cccc2,NA
-O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,NA
-CNc1ccc2c(c1N)nc(cn2)C,NA
-CN(C(=S)SSC(=S)N(C)C)C,NA
-OCc1ccccc1,NA
-Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,NA
-OCCCNC(=O)C(C(CO)(C)C)O,NA
-BrCC(C)(C)C,NA
-CCCCN([C@H](OC(=O)C)CCC)N=O,NA
-OC1C2OC2c2c(C1O)cccn2,NA
-c1ccc2c(c1)c(ccc2)CC1CO1,NA
-CC(=O)Nc1cnc2c(c1)cccc2,NA
-CCC(=O)n1ncc(c(c1=O)Cl)Cl,NA
-Clc1nncc2c1cccc2,NA
-Cc1ccc(c(c1)[N+](=O)[O-])N,NA
-CCN(c1ccc(cc1)N)CC,NA
-CC1CCCC1,NA
-Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,FP
-O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],NA
-c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,NA
-CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,NA
-COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,NA
-O=NN1CCSC1C(C(C(C(O)C)O)O)O,NA
-CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,NA
-CC(=CC1C(C1(C)C)C(=O)O)C,NA
-Clc1cc(Cl)c(c(c1Cl)O)Cl,NA
-COP(=O)(NC(=O)C)SC,NA
-c1cnc2c(c1)ccc1c2cccn1,NA
-COC(=O)COc1ccc(cc1Cl)Cl,NA
-Oc1cccc2c1c(O)c1c(c2)cccc1O,NA
-OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,NA
+CN1CCNCC1,TN
+ClCC(CCl)O,TP
+Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,FP
+Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,TP
+C1COCCS1,TN
+Cc1ccc(cc1)C(O)(C)C,TN
+CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,TN
+[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,TP
+Nc1cc2cccc3c2c2c1cccc2cc3,TP
+CCN(c1ccccc1)N=O,FP
+[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,TP
+OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,FP
+CC(=O)c1ccccn1,TN
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,TN
+CCCCN(CCC(=O)O)N=O,TP
+CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,FN
+O=NN(Cc1cccc(c1)OC)C,FN
+Nc1[nH]cc2-c(n1)ncn2,TN
+OC(=O)CN(CC(=O)O)CC(=O)O,TN
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,TP
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,TN
+CNN=NC,FN
+[O-][n+]1ncc2c(c1)cccc2,TN
+c1cc2cccc3c2c(c1)CC3,FP
+C=CC(=C)CCC=C(C)C,TN
+O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],TP
+ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,TP
+Oc1c(Cl)cc(c(c1Cl)Cl)Cl,TN
+CC(=O)OCN([N+](=O)[O-])C,TP
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,TP
+CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,TN
+NNc1nncc2c1cccn2,TP
+O=NN(C(=O)C)C,TP
+ClC/C=C/CCl,TP
+CC(=O)CC(=O)C,TN
+O/C=C\1/C[C@@]2(C)[C@H](CC1=O)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@]2(C)O)C,TN
+Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,TP
+OCc1ccc(cc1)C#N,TN
+CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,FN
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,TP
+O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,TN
+Clc1ccc(cc1)S(=O)O,TN
+O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,TN
+COc1cc(OC)c2c(c1)OC1C2C2OC2O1,NA
+Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,TP
+CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,TN
+CNc1ccc2c(c1C)nc(cn2)c1ccccc1,TP
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,TP
+CCc1cccc2c1nccc2,FN
+OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,TN
+CC(=O)Nc1ccc2c(n1)cccc2,FP
+Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],TP
+OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)C[C@@H]2CC[C@H](CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,TP
+Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,TP
+O=NN(CC(=O)C)C,FN
+CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,FP
+CCCCCCCCCCCCOS(=O)(=O)O,TN
+ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,TP
+OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,TN
+Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,TN
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,TP
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],TP
+C1CCC2C(C1)CC1(CC2)CO1,TN
O=NN1CCNCC1,TP
-BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
-CC(Cl)Cl,NA
-[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,NA
-O=C/C=C\c1ccccc1OC,NA
-CCNc1snc2c1cccc2,NA
-O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,NA
-CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,NA
-CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,NA
-C=C[C@H](c1ccc(cc1)OC)OC(=O)C,NA
-C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,NA
-CC(=O)C(=O)C,NA
-CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,NA
-OC(=O)/C=C\C(=O)O,NA
-O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,NA
-ClCCCBr,FN
-O=c1cc(n(n1c1ccccc1)C)C,NA
-CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,NA
-Cc1cc(C)cc(c1)O,NA
-Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,NA
-C1CCC(CC1)NSc1nc2c(s1)cccc2,NA
-OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,NA
-COC(=O)C1=C(C)C(OC1=O)(C)O,NA
-Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],NA
-CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,NA
-Clc1cc(Cl)cc(c1)Cl,NA
-CCOP(=S)(SCCl)OCC,NA
-Oc1cnc2c(c1)cccc2,NA
-CCCCCO,NA
-OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,NA
-Oc1ccc2c(c1)cc[nH]2,NA
-COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,NA
-CC(=O)NS(=O)(=O)c1ccc(cc1)N,NA
-OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,NA
-O/N=C/C(=O)Nc1ccccc1,NA
-CC(C(=O)NCc1ccccc1)Br,NA
-c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,NA
-Oc1c2ccccc2nc2c1cccc2,NA
-CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,NA
-O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,NA
-Nc1ccc(c(c1)[N+](=O)[O-])O,TP
-CC#N,NA
-O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,NA
-Oc1ccc(c2c1nccc2)S(=O)(=O)O,NA
-CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,NA
-O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,NA
-Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,NA
-Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,TP
-CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,NA
-O1CC1Cc1ccccc1,NA
-N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,NA
-C=CCOC(=O)c1ccccc1C(=O)OCC=C,NA
-CCC(=O)Nc1ccc(c(c1)Cl)Cl,FP
-Cc1cccc2c1c1ccc3c(c1cc2)cccc3,NA
-CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],NA
-NC(=O)Cc1cccc2c1cccc2,NA
-NC(=O)Cc1cccc2c1cccc2,NA
-[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,NA
-Cc1cc2n(C)c(nc2c2c1nccn2)N,TP
-O=C(N(C)C)Nc1ccc(c(c1)Cl)C,NA
-O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,NA
-ClC[Si](C=C)(C)C,NA
-c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,NA
-ONc1cccc(c1)C,NA
-CCNc1nc(NCC)nc(n1)Cl,TN
-C1CC2CCc3c(C42C(C1)O4)cccc3,FP
-CNC(=O)Oc1ccccc1,NA
-Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,NA
-Fc1c(F)c(F)c(c(c1Cl)F)Cl,NA
-C=Cc1ccc(cc1)N,NA
-COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,NA
-OC(C(F)(F)F)C(F)(F)F,NA
-[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],NA
-CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],NA
-Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,NA
-C/C=C/C1OC(=O)C=CC1O,NA
-[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],NA
-C1CCSCS1,NA
-CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,NA
-Oc1c2ccccc2nc2c1cco2,NA
-CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,NA
-[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,TP
-C(Sc1ccccc1)CSc1ccccc1,NA
-Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,NA
-Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,NA
-[O-][N+](=O)c1ccc2c(c1)cn[nH]2,NA
-ClC(=O)OCC1c2ccccc2-c2c1cccc2,NA
-OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,TP
-O=NN(CCCC(c1cccnc1)O)C,NA
-O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,NA
-OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O,NA
-O=NN1CCN([C@H](C1)C)N=O,NA
-c1cccnc1,NA
-ClCCBr,NA
-c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,NA
-ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-N#CCc1ccccc1[N+](=O)[O-],NA
-NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,NA
-OCCC(CCC=C(C)C)C,NA
-OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
-CCOC(=O)C,NA
-CC(CN(C(=N)N[N+](=O)[O-])N=O)C,NA
-OC(=O)Cc1c[nH]c2c1cccc2,NA
-O=C1C=CC(=O)C(=C1)Cl,NA
-ClCc1ccc(cc1)[N+](=O)[O-],NA
-CCC#N,NA
-CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,NA
-O1C=CC2C(C=C1)O2,NA
-Nc1nc2c(n1C)ccc1c2nccc1,NA
-COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,NA
-CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,FP
-O1OC2c3c(C1c1c2cccc1)cccc3,NA
-ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,NA
-CCC/C=N\O,TP
-COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,NA
-CSC(/C=N\O)(C)C,FP
-ClCC(=C)Br,NA
-c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,NA
-BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,NA
-c1ccc2c(c1)scn2,NA
-COCCOC(=O)c1ccccc1C(=O)OCCOC,NA
-COC1OC1(C)C,NA
-OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,NA
-CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,NA
-CC(OC1OC(=O)C(=C1Cl)Cl)C,NA
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,TP
-CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,FP
-[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,FP
-O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,NA
-Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,NA
-BrCc1cccc(c1)[N+](=O)[O-],NA
-c1ccc2c(c1)cc(cc2)[C@@H]1CO1,NA
-OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],NA
-CCCCCCCCCCSCn1cc[n+](c1)C,NA
-[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],NA
-Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,NA
-Oc1ccc2c(n1)ccc1c2nc(n1C)N,NA
-COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,NA
-CC(Br)(C)C,NA
-CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,NA
-CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,NA
-COc1ccc(cc1)/C=C/C(=O)c1ccccc1,NA
-OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,NA
-NCCCN(C)C,NA
-CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,TP
-OC(=O)C1OC(Oc2ccc3c4c2ccc2c4c(cc3)cc3c2cccc3)C(C(C1O)O)O,NA
-CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,NA
-COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,NA
-O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,TN
-O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],NA
-COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,NA
-CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,FP
-CCOC(=O)c1cccc2c1nccc2,NA
-CCN(c1ccc(cc1)N=O)CC,NA
-OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccccc1[N+](=O)[O-],NA
-CCCC[C@H](COC(=O)CCCCC(=O)O)CC,NA
-C=CN1CCCC1=O,NA
-O=c1ccoc(c1O)C,NA
-Nc1ccc2c(n1)cccc2,NA
-C=CCc1ccc2c(c1)OCO2,NA
-O1CCOCC1,NA
-Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,NA
-OC(=O)C(Oc1ccc(cc1Cl)Cl)C,NA
-CC(=O)OCN(N=O)CCCl,NA
-COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,NA
-Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,NA
-Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,NA
-CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,NA
-CCOS(=O)(=O)c1ccc(cc1)C,NA
-CC(=O)OC(=O)C,NA
-Oc1ccc2c(c1)c(N)c1c(n2)cccc1,NA
-OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O,NA
-O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,NA
-COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,NA
-Oc1ccc2c(c1)OCO2,NA
-c1ccc2c(c1)nccc2,NA
-NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-CC(=C)C(=O)OC[C@@H](CBr)Br,NA
-CC/C=C/[C@H](C=O)CC,NA
-ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,NA
-C1CCC(CC1)NC1CCCCC1,TN
-CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,NA
-NNc1ccc(cc1)C(=O)O,NA
-CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,NA
-CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,FP
-N#Cc1cccc(c1)C,NA
-CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,NA
-COC(=O)CCl,NA
-Clc1cccc(c1)C(=O)O,NA
-Clc1ccc(cc1)Cl,NA
-OCc1cc2c([nH]1)c1ncccc1cc2,NA
-CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,NA
-[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,NA
-O=Cc1ccc(cc1Cl)Cl,NA
-Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,TP
-ClC(=O)c1ccccc1Cl,NA
-ClCCCN(COC(=O)C)N=O,NA
-COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,TP
-COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,NA
-CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,NA
-BrC[C@H](Br)C,NA
-Nc1cc2nc3ccccc3nc2cc1O,NA
-Cc1cccc2c1cc1c(c2)ccc2c1cccc2,NA
-BrCCC(CCBr)(CO)CO,NA
-OC(=O)C(Cl)(Cl)Cl,NA
-OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],NA
-Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,NA
-CCCCCCCCCC[C@@H]1OC1,NA
-ClC1OC1CBr,NA
-Cc1ccc2c(c1C)cccc2,NA
-Nc1ccc(cc1C)c1ccc(c(c1)C)N,NA
-CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,TP
-[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,NA
-ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,NA
-O=C1CCc2c1ccc1c2ccc2c1cccc2,NA
-c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,NA
-O=Nc1ncn(c1c1ccccc1)C,NA
-OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,NA
-O=CC1=CCC(CC1)C(=C)C,NA
-Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,NA
-OCCCO/C=C/C=C/C=C/C=C/C=C/CC,NA
-CC(Nc1snc2c1cccc2)C,NA
-COc1ccc(cc1)CC1OC1,NA
-NNc1nncc2c1nccc2,NA
-CCN(c1cccc(c1)O)CC,NA
-OCNC(=O)C=C,NA
-COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,TP
-[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,NA
-[O-][N+](=O)c1cccc(c1O)c1ccccc1,NA
-OCc1ccc(cc1)[N+](=O)[O-],NA
-O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,NA
-COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,TP
-CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],NA
-CCCC(=C)C=O,NA
-CC(N)C,NA
-CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],NA
-c1ccc(cc1)c1ccc(cc1)OCC1OC1,NA
-Nc1sc2c(n1)c(C)ccc2,NA
-Cc1cccc(c1)c1nc2c(o1)cccc2,NA
-CCn1c(N)nc2c1ccc1c2nc(cn1)C,NA
-O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,NA
-O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,NA
-COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,NA
-CCn1c(N)nc2c1ccc1c2cccn1,NA
-FC(OC(C(Cl)F)(F)F)F,NA
-Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,NA
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,NA
-COc1cc(N)cc(c1N)OC,NA
-ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,NA
-CC(Cl)(Cl)C,NA
-CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,NA
-Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,NA
-O=NOC(C)(C)C,NA
-O=Nc1ccc(cc1)O,NA
-NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,NA
-C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,NA
-CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,NA
-OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,NA
-Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,NA
-Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,NA
-CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,NA
-CCNc1cc2oc(=O)cc(c2cc1C)C,NA
-O=NN1CSCC1C(=O)O,FP
-CN(c1ccncc1)C,FP
-Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,NA
-Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,NA
-OC(=O)CS,NA
-CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,NA
-O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],NA
-NC(=O)C[C@H]1CO1,NA
-COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,NA
-O[C@@H](c1ccccc1)C#N,NA
-CC(=O)Nc1ccc2c(n1)cccc2,NA
-OC1=C(C)CCC1=O,NA
-CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,NA
-Clc1cc(Cl)nc(n1)N,NA
-[O-][N+](=O)c1cccc2c1snc2Cl,NA
-CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,TN
-CC(C(=O)NCc1ccccc1)Cl,NA
-OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,NA
-NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,NA
-OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,TN
-C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,NA
-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],NA
-OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,NA
-CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,NA
-OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,NA
-Clc1ccc(c(c1)O)Cl,NA
-[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],NA
-CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,NA
-CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,FP
-OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,FP
-C1CC2OC2CCC2C1O2,FP
-O=Cc1cccc2c1nccc2,NA
-[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,NA
-OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O,NA
-Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,NA
-Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,NA
-Nc1ccc(c(c1)C)C,NA
-O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,NA
-OC(=O)c1cc(O)c2c(n1)cccc2,NA
-N#N=NCC(C(C(C(C(=O)O)O)O)O)O,NA
-CCCCN=NC(OO)(C)C,NA
-[O-][n+]1c2ccccc2nc2c1cccc2,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,NA
-CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,NA
-COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,NA
-CC([C@](C(=O)O)([C@H](O)C)O)C,NA
-OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,NA
-NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,NA
-Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],NA
-CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,NA
-c1ccc(cc1)c1ccc(cc1)c1ccccc1,NA
-CCCC[C@H](COS(=O)(=O)O)CC,NA
-c1ccco1,NA
-c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,NA
-OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,NA
-CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,TP
-CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,NA
-CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,NA
-Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,NA
-BrC(C(=O)O)Br,NA
-OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,NA
-NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,NA
-C1CCNC(=O)N1N=O,NA
-S=C(Nc1ccccc1)Nc1ccccc1,NA
-CCCC(=O)c1cc(O)c(cc1O)O,NA
-CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,NA
-CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,NA
-CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,NA
-O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,NA
-COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,NA
-O(Cc1cccc2c1cccc2)CC1CO1,NA
-[O-][N+](=O)CCC(=O)O,NA
-[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,NA
-O=c1n(CC2CO2)sc2c1cccc2,NA
-O=CNc1ccc2-c3c(Cc2c1)cccc3,NA
-CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,NA
-Nc1cc([N+](=O)[O-])c(cc1C)N,TP
-Oc1ccc2c(c1N)cccc2,NA
-COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,NA
-OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,NA
-CCn1c(N)nc2c1c(C)cc1c2cccn1,NA
-C[n+]1c2ccccc2cc2c1cccc2N,NA
-ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,NA
-CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,NA
-OS(=O)(=O)c1cccc2c1nccc2,NA
-c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,NA
-NCCCCC(C(=O)O)N,TP
-[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,NA
-COc1ccc(cc1)C(=O)C1OC1c1ccccc1,NA
-FC(C(C(Cl)(F)F)(F)F)Cl,NA
-COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,NA
-O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,NA
-Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,NA
-Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,NA
-CN(N=O)CCCC,NA
-COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,NA
-O=Cc1ccco1,NA
-CCN(C(=N)N[N+](=O)[O-])N=O,TP
-Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,NA
-Oc1cc(Cl)c(c(c1)Cl)Cl,NA
-CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,NA
-ON1CN(Cl)CN(C1)Cl,TN
-CCCC[C@H](C=O)CC,FP
-COC(=O)C1=CCCN(C1)N=O,NA
-OCCN(C(=O)Nc1ccccc1)C,NA
-CCSCCSP(=S)(OC)OC,NA
-O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,NA
-OC(COc1cccc2c1cc[nH]2)CNC(C)C,NA
-OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,NA
-CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,NA
-O=C1C=Cc2c3c1cccc3ccc2,NA
-CCCCCCN(C(=O)N)N=O,NA
-CCOC(=O)C(=C)C,NA
-CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,NA
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],NA
-CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,NA
-N#Cc1ccc(cc1)[N+](=O)[O-],NA
-CC(Nc1ccccc1)C,NA
-O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,NA
-CC(=O)n1cncc1,NA
-O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,NA
-Nc1nc2c(n1C)ccc1c2ccnc1,NA
-O=C/C=C(\CCC=C(C)C)/C,NA
-COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,TP
-c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,NA
-BrC(C1=C(Br)C(=O)OC1)Br,TP
-CC1(CO1)C(=O)N,NA
-c1ccc(cc1)Nc1ccccc1,NA
-OCc1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],NA
-C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],NA
-CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,TN
-ONc1ccc(cc1)N=O,NA
-O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,NA
-ClCC1=C(Cl)C(=O)OC1O,NA
-[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,NA
-[O-][N+](=O)c1c(O)ccc2c1cccc2,NA
-CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,NA
-Nc1[nH]ccc2-c1c1ccccc1n2,NA
-O=NN(CCCC(=O)c1cccnc1)C,NA
-CCOC(=O)C(C(=O)C)Cl,NA
-O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,NA
-C1CCC(CC1)N=C=NC1CCCCC1,NA
-CC1CCC2CC1C2(C)C,NA
-[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,NA
-CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,NA
-C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,NA
-CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,NA
-Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,NA
+CCCCCCCCCCCC(=O)NCCO,TN
+Clc1cnc2c(c1C)cccc2,FP
+CCOC(=O)CC(O)C,TN
+Cc1ccc(c(c1)C)[N+](=O)[O-],TP
+CNC[C@@H](c1ccc(c(c1)O)O)O,TN
+O=C1C=C(O)C(=O)c2c1cccc2,FN
+Cc1ccncc1,TN
+CCOC(=O)CC(=O)CCl,TN
+COC(=O)C(=C)Cl,TP
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,TN
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,TP
+CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,TN
+Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,TP
+CNC(=O)ON,TP
+BrCC(CBr)Cl,TP
+c1ccc2c(c1)ccc1c2c2C=CCc2cc1,TP
+Cc1cc(nc(n1)O)C1CC1,TN
+c1ccc(cc1)Oc1ccccc1,TN
+O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,TN
+C=CCOc1ccccc1OCC(CNC(C)C)O,TN
+OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,TP
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,FP
CC(Cc1ccc(cc1)C(C(=O)O)C)C,NA
-CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,NA
-Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],NA
-CNCC(c1ccc(c(c1)O)O)O,NA
-Cc1cnccn1,NA
-c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,NA
-c1ccc2c(c1)ccc1c2nccc1,NA
-c1ccc(cc1)Nc1ccc2c(c1)cccc2,NA
-OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,NA
-CNC(=O)N(C(=O)C)O,TP
-Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,NA
-CCC(OC)(C)C,NA
-CC/C=C/C=O,NA
-OCc1ccc(cc1)C,NA
-CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,NA
-CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,NA
-CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,NA
-CCOc1cc(C=O)ccc1O,NA
-CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,NA
-CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,NA
-O=NN1CC(=O)NC1=O,NA
-Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],NA
-OC(=O)CCCCC(=O)O,NA
-C=CCN=C=S,NA
-COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,NA
-COC(=O)CCC(=O)OC,NA
-COc1ccc(cc1)C(=O)/C=C/c1ccccc1,NA
-Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,NA
-OOC(N=NC)(C)C,NA
-O=C(Nc1ccccc1C)CC(=O)C,NA
-CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,NA
-Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,NA
-CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,NA
-CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,NA
-CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,NA
-O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,NA
-O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,NA
-Brc1cccc(c1)[N+](=O)[O-],NA
-Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,NA
-ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,NA
-Cn1c(N)nc2c1cc1ncccc1n2,NA
-COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,NA
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,NA
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,NA
-OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,NA
-COc1ccc(cc1)C(C=C)O,NA
-BrCC(=O)N(Cc1ccccc1)C,NA
-Oc1ccc2c(c1)cccn2,NA
-S=C=S,NA
-CCO[Si](OCC)(OCC)C,NA
-O=CN(c1ccc(cc1)c1ccccc1)O,NA
-OCC1=CCN2[C@H]1[C@H](O)CC2,NA
-CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,NA
-CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,FP
-CCN(C(=O)N)N=O,NA
-[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],NA
-Cc1cccc2c1cc1ccc3c(c1n2)cccc3,NA
-c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,NA
-BrC([N+](=O)[O-])(Br)Br,NA
-OCC1OC(CC1O)n1cnc2c1ncn1c2ncc1,NA
-O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,NA
-NC(=O)OC1CO1,NA
-Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,NA
-[O-][N+](=O)c1cnc(n1C)C,NA
-CCOc1ccc(cc1N)NC(=O)C,NA
-CN(Cc1ccccc1)C,NA
-C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,NA
-CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,NA
-O=C1NCNC(=O)N1,NA
-ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,FP
-CNc1ccc2c(c1C)nc(c(n2)C)C,NA
-ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,NA
-OC1c2cc3ccccc3c3c2c2c1cccc2cc3,NA
-COC(=O)c1oc(c(c1Cl)Cl)N,NA
-C1CC2=CC3C(C=C(C1)O2)O3,TN
-CC[N+](=NC)[O-],NA
-O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,NA
-CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],NA
-c1ccc2c(c1)c1ccccc1c1c2cccc1,NA
-O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,NA
-OCc1c(N)cccc1[N+](=O)[O-],NA
-[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],NA
-ClCCOCCCl,NA
-O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],NA
-Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,NA
-[O-][N+](=O)c1cccc2c1nsc2,NA
-[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,NA
-CC(CO)Cl,NA
-CC/C=C/C=C/C=C/C=C/C=C/OC,NA
-CCCCCN1C2C1c1ccccc1-c1c2cccc1,NA
-CCCCN(CCC(=O)C)N=O,NA
-Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,NA
-COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,NA
-[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,NA
-ONS(=O)(=O)c1cccc2c1nccc2,NA
-COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,NA
-O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,NA
-O=NN1CCCC[C@H]1C,NA
-Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,NA
-OCC1OC(C(C1O)O)n1cnc2c1ncn1c2ncc1,NA
-ONc1cc(ccc1C)[N+](=O)[O-],NA
-Cc1cccc2c1nn[nH]2,NA
-[O-][N+](=O)C(C(O)C)C,NA
-CC(=C)OC(=O)C,NA
-NCCNC(=O)c1ccc(cn1)Cl,NA
-CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,NA
-c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,NA
-CC(=O)Nc1cccc2c1-c1ccccc1C2,NA
-Cc1c(C)c(Br)c(c(c1Br)Br)Br,NA
-ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,TP
-ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,NA
-OCC1OC(SC(=S)N(CC)CC)C(C(C1O)O)O,NA
-O=CN(c1ccccc1)O,NA
-CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,NA
-Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,NA
-CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,NA
-CC(=C)C(=O)OCCO,NA
-OC(COc1cccc2c1OCC(C2)O)CNC(C)C,NA
-Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,NA
-Clc1cccc(c1)c1nc2c(o1)cccc2,NA
-Nc1cccc(c1)O,NA
-CCOS(=O)(=O)c1ccccc1,NA
-COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-Fc1cc2cccnc2c2c1cccc2,NA
-N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,TP
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,NA
-CCC(C)C,NA
-[N-]=[N+]=NCCC(C(=O)O)N,NA
-OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C,NA
-NNc1nncc2c1ccnc2,NA
-[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],NA
-Nc1cccc2c1C(=O)c1ccccc1C2=O,NA
-[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],NA
-Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,NA
-Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,TP
-CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,NA
-COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,NA
-O=c1oc2cccc3c2c2c1cccc2cc3,NA
-NC1=N[C@@H](CS1)C(=O)O,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,NA
-Nc1nc2-c3cccnc3CCc2s1,NA
-Nc1c(C)cccc1O,NA
-Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,NA
-[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],NA
-OCCOCCOCCO,NA
-CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,NA
-CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,NA
-CCCCCCCCCCCC(=O)NCCO,NA
-CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,NA
-Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,NA
-CNc1ccc(cc1)N=Nc1ccccc1,NA
-Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,NA
-CN(C(=O)Nc1ccc(cc1)Cl)C,NA
-[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],NA
-CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,NA
-ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,NA
-C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,NA
-ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,NA
-CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,NA
-CN(c1ccc(cc1)/C=C/c1ccccc1)C,NA
-Nc1cc(nn1C)C1CC1,NA
-OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,NA
-OCCCCN(N=O)CC,NA
-O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,NA
-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,NA
-CCOC(=O)C(=C)C#N,NA
-OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],NA
-Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],NA
-CC(N=C=NC(C)C)C,NA
-Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,NA
-c1ccc(cc1)Nc1cccc2c1cccc2,FP
-N#[N+]c1nc[nH]c1C(=O)N,NA
-c1ccc2c(c1)c(OCC1CO1)ccc2,NA
-Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,FP
-O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,NA
-OC1C2OC2c2c(C1O)ccc1c2cccn1,NA
-OC[C@@H](CCl)O,NA
-CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,TP
-CC(=O)c1ccc(c(c1Cl)Cl)Cl,NA
-Cn1c(N)nc2c1cccc2,NA
-OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,NA
-c1ccc2c(c1)cc1c3c2cccc3C=C1,NA
-O=Cc1ccc2c(c1)OCO2,NA
-COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,NA
-CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,NA
-CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,NA
-BrCCCCCCCC(=O)O,NA
-Nc1ccc(cc1F)c1ccc(c(c1)F)N,NA
-O=C(c1ccccc1N)OCCc1ccccc1,NA
-Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,NA
-Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,NA
-OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,NA
-OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,NA
-Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,NA
-Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,NA
-Nc1cccc2c1snc2Cl,TP
-c1ccc2c(c1)cc(cc2)OCC1CO1,NA
-O=NN(CCN(C)C)C,TP
-Cc1ccc2-c3c(Cc2c1)cc(cc3)C,NA
-COC(=O)c1ccccc1,NA
-O=NN(Cc1cccc(c1)C(F)(F)F)C,NA
-O=Cc1cccc(c1Cl)Cl,NA
-CCOc1ccc(cc1)NC(=O)N,NA
-OCc1ccc(cc1[N+](=O)[O-])N,NA
-O=CN(c1ccc(c(c1)Cl)Cl)O,NA
-Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,NA
-Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],NA
-O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,NA
-N#N=NCC(Cn1cnc2c1ncnc2Cl)O,NA
-O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,NA
-OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,NA
-[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,NA
-COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,FP
-CCC1OC1c1ccccc1,NA
-CC(Oc1ccc(cc1)Nc1ccccc1)C,NA
-[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,NA
-O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,NA
-[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,NA
-OC(=O)Cc1ccc(c(c1)O)O,NA
-ONC(=O)CNC(=O)c1ccccc1,NA
-FC(=C(F)F)Cl,NA
-CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,NA
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,NA
-O1CCN(CC1)SSN1CCOCC1,NA
-CC(C(=O)N(c1ccc(cc1)Cl)O)C,NA
-OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,NA
-OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,FP
-CCOC(=O)CNC(=O)C=[N+]=[N-],NA
-Nc1ccc2c(c1)ccc1c2cccc1,NA
-C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,NA
-Nc1ccc(cc1)Oc1ccccc1,NA
-NCCCN1CCN(CC1)CCCN,NA
-CCOC(=O)N(C)C,NA
-Cc1cccs1,NA
-Cl[Si](Cl)(Cl)Cl,NA
-CO,NA
-Nc1ccc(c(c1)C(F)(F)F)Cl,NA
-CC=C,FN
-BrCC(=O)Nc1ccc(cc1)C,NA
-CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,NA
-COc1cc(CNC(=O)C(Br)C)ccc1OC,NA
-Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,NA
-[N-]=[N+]=NC[C@H](C(=O)O)N,NA
-CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,NA
-CC(=O)NC(C(=O)O)CSCCCl,NA
-[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],NA
-CCCCCCCCCCCCCCCCCC(=O)O,NA
-[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],NA
-CCc1ccco1,NA
-Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,NA
-OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,NA
-c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,TP
-N#CC(=Cc1ccccc1Cl)C#N,NA
-Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,NA
-ClCCN(P1(=O)OCCC(=O)N1)CCCl,NA
-BrCC(c1ccccc1)Br,NA
-O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,NA
-[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,FP
-Cc1c(N)c(C)c(c(c1C)N)C,NA
-c1ncc[nH]1,NA
-Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,NA
-OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,NA
-BrCC(=O)c1cccc(c1)OC,FP
-O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,NA
-CC(=O)Nc1cccc2c1ncc(c2)F,NA
-Nc1ccc(cc1)/C=C/c1cccc(c1)N,NA
-CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-O=C1C=C(O)c2c(C1=O)cccc2,NA
-O=C1C=C(O)c2c(C1=O)cccc2,NA
-Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,NA
-[O-][N+](=O)c1cc(ccc1C)C(=O)O,NA
-ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,NA
-On1nnc2c1cccc2,NA
-CCc1c(Br)c(Br)c(c(c1Br)Br)Br,NA
-O=C1C=CC(=O)C=C1,NA
-ClCl,NA
-Oc1cccc2c1cccc2,NA
-Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,NA
-O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,NA
-O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,NA
-CCCCOCCOCCOCc1cc2OCOc2cc1CCC,NA
-Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,NA
-ClCC(CCl)(CCl)CCl,NA
-OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,NA
-C=Cc1ccncc1,FP
-CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,NA
-COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,TP
-CC(NCC(c1ccc2c(c1)cccc2)O)C,NA
-N[C@@H]1CC[C@H](CC1)N,NA
-ONc1nc(N)nc2c1[nH]cn2,NA
-[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,NA
-Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@@]1(Cl)[C@@]1([C@@]2(Cl)[C@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,NA
-NC(C(=O)NCC(=O)O)CS,NA
-CNC(=O)ONC(=O)C,NA
-Cc1ccc(c(c1)N)[N+](=O)[O-],NA
-Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,NA
-Fc1ccnc2c1cccc2,NA
-CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,TP
-Cc1cccc(c1O)C,NA
-COCOC,NA
-NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,NA
-CCOC(=O)CNC(=O)C(Br)(C)C,NA
-Oc1ccc(nn1)O,NA
-Cc1c(C)cccc1N,NA
-Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-N#Cc1ccccc1C,FP
-COc1ccc(cc1)CC=C,NA
-COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,NA
-CCOC(=O)NNc1nncc2c1cccc2,NA
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,NA
-CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,NA
-OCC(CO)O,NA
-O=Nc1ccc(cc1C)OP(=S)(OC)OC,NA
-O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,NA
-O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,NA
-CN(N=Nc1ccc(cc1)Cl)C,NA
-CCCCCCCCCCCCCCCCCCCC,NA
-OC(=O)c1ccccc1Cl,FP
-NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,NA
-CCCC/C=C/C=C/C=C/C=C/C=C/OC,NA
-CCCCOS(=O)(=O)C,TP
-[O-][N+](=O)c1ccc2c3c1CCc3ccc2,NA
-Nc1ccccc1,FP
-Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,NA
-N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl,NA
-CCOC(=O)N,NA
-c1ccc(cc1)CN1CCN=N1,NA
-O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,NA
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,NA
-BrC(C#N)Br,NA
-Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,NA
-CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,NA
-O=NN1CCCCCC1,NA
-Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],NA
-FC(c1ccc(cc1)Cl)(F)F,NA
-O=CC(=O)C,NA
-Clc1ccc(c(c1)Cl)[N+](=O)[O-],NA
-CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,NA
-CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],NA
-CCCCCCCCCCCCc1ccccc1,FP
-COCN(c1c(CC)cccc1CC)C(=O)CO,NA
-CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,NA
-Clc1cccc(c1)[N+](=O)[O-],NA
-OCc1occ(c(=O)c1)O,NA
-Oc1ccc(cc1)Cl,NA
-O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,NA
-ONc1ccc(cc1)Cl,NA
-O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,NA
-Clc1cccc2c1oc1c2cccc1,NA
-[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,NA
-CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,NA
-COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,NA
-O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,NA
-COC(=O)Nc1nc2c([nH]1)cccc2,NA
-ClCc1cccc2-c3c4c(-c12)cccc4ccc3,NA
-CCCN(N=O)CCC,NA
-c1ccc(cc1)CNc1ncnc2c1[nH]cn2,NA
-OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,NA
-CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,NA
-N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,NA
-Clc1cc(N)c(c(n1)C(=O)O)Cl,NA
-COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,NA
-COc1cc(OC)nc(n1)N,NA
-Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,NA
-O=C1NS(=O)(=O)Cc2c1cccc2,NA
-COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,NA
-COC(=O)c1ccccc1CS(=O)(=O)N,NA
-CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,NA
-OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,NA
-Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,NA
-Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,NA
-BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,NA
-CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,NA
-CCCCc1c(=O)nc([nH]c1C)NCC,NA
+OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,TN
+COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,TP
+OC(=O)C(CCS(=O)(=N)C)N,TN
+Nc1c2ccccc2nc2c1cccc2,TP
+Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,NA
+COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,FN
+COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,TN
+Cc1cscc1,TN
+Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,TP
+CC(=O)c1cccn1[N+](=O)[O-],TP
+O=C1CCC(N1C)c1cccnc1,TN
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,TN
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
+CNC(=O)c1ccccc1,FP
+O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,TP
+OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,TN
+CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,FP
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+CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,TN
+Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,TN
+[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,TP
+CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,TN
+OCc1ccco1,TN
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+OCC(C1OC(=O)C(=C1O)O)O,TN
+c1cnc2c(c1)C1OC1CC2,TN
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+COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],TP
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,NA
+Cc1ccc2c3c1ccc1c3c(C2)ccc1,TP
+CC(=O)OC=C,TN
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+CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,FP
+Cc1ccc(cc1)/N=N/N(C)C,TP
+CCOCN(c1c(C)cccc1CC)C(=O)CCl,TN
+[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,TP
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+[O-][N+](=O)c1cccc(c1C)C,TP
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+CCCCCN(CCCCO)N=O,TP
+CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,TN
+OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,TN
+Cc1ccc(cc1)c1nc2c(o1)cccc2,TN
+ONc1ccc(cc1)/N=N/c1ccccc1,TP
+Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
+O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,TN
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+CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,TN
+O=C/C(=C\c1ccccc1)/C,FP
+CC(Br)(C)C,FN
+O=C1C=CC(=O)O1,TN
+CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,TN
+ClCC[N+](C)(C)C,TN
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+CCCCCC[N+](=O)[O-],TN
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+Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],TP
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+COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,TP
+[O-][N+](=O)c1ccccc1C,TN
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+COP(=O)(NC(=O)C)SC,TN
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+O=NN1CCC(=O)CC1,TP
+C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,TP
+ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,TP
+CCNc1ccccc1,TN
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,TN
+NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],TP
+C1CCCCNC1,TN
+Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,TN
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+COc1c2ccccc2[n+](c2c1cco2)[O-],FP
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+CCCCC=C,TN
+COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,TN
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+CC(c1ccc(c(c1)O)C)C,TN
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+Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],TN
+Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,TN
+CNC(=O)ON(C(=O)NC)C(=O)C,TP
+Clc1cccc(c1)Cl,TN
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+O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,TN
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+O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,TN
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+COc1c2oc(=O)ccc2cc2c1occ2,FN
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+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,TN
+ONc1ncnc2c1nc[nH]2,TP
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+O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,TN
+c1ccc(cc1)N(c1ccccc1)c1ccccc1,TN
+c1ccc(cc1)c1ccc(cc1)c1ccccc1,FP
+CCCCOC(=O)c1ccccc1N,TN
+CCC/C=C/C=O,TP
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+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,TP
+O=CC=CNCCCCC(C(=O)O)N,FN
+CCCCCCCCn1sccc1=O,TN
+COc1cc(C=C)ccc1O,TN
+N[C@H](C(=O)O)CSCc1ccccc1,TN
+OCC(C(CO)O)O,TN
+OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,TN
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-[S-]C(=S)NC.[Na+],NA
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-CCNc1nc(Cl)nc(n1)NC(C)(C)C,NA
-Nc1nc(nc(n1)O)NC(C)(C)C,FP
-CCNc1nc(O)nc(n1)NC(C)(C)C,NA
-Nc1nc(nc(n1)Cl)NC(C)(C)C,NA
-Oc1nc2NC(C(n2c(=O)n1)O)(C)C,NA
-CC(Nc1nc(O)nc(n1)O)(C)C,NA
-Cn1c(O)nc(nc1=O)NC(C)(C)C,NA
-CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,NA
-COP(=S)(SC(C(=O)O)CC(=O)O)OC,NA
-CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,NA
-CNC(=O)Nc1ccc(cc1)Br,NA
-NC(=O)Nc1ccc(cc1)Br,NA
-CONC(=O)Nc1ccc(cc1)Br,NA
-COc1cc(O)nc(n1)NC(=O)N,FP
-OCC(c1ccc(cc1)NC(=O)N(C)C)C,NA
-O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,NA
-CC(c1ccc(cc1)NC(=O)N)C,NA
-CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,NA
-ClCCP(=O)(O)O,NA
-OCCP(=O)(O)O,NA
-OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,NA
-[O-]Cl.[Na+],NA
-FS(=O)(=O)F,NA
-O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,NA
-OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,NA
-COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,NA
-CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,NA
-CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,NA
-Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,NA
-CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,NA
-CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,NA
-CCc1nn(c(c1Cl)C(=O)N)C,NA
-COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,NA
-Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,NA
-OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,NA
-Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,NA
-COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,NA
-COP(=O)(C(C(Cl)(Cl)Cl)O)OC,NA
-OC(=O)COc1nc(Cl)c(cc1Cl)Cl,NA
-CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,NA
-CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,NA
-CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,NA
-OC(=O)C(CC(=O)O)CC(=O)O,NA
-O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,NA
-O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,NA
-OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,FP
-O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,FP
-OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,NA
-COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,NA
-OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,NA
-COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,NA
-OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,NA
-ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,NA
-COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,NA
-CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,NA
-COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,NA
-CCS(=O)(=O)c1cccnc1S(=O)(=O)N,NA
-COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,NA
-CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,NA
-CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,FP
-O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,NA
-O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,NA
-NC1=C(Cl)C(=O)c2c(C1=O)cccc2,NA
-ClC(=C(Cl)Cl)CS(=O)(=O)O,NA
-COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,FP
-COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,NA
-COC(=O)c1csc(c1S(=O)(=O)N)C,NA
-COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,NA
-O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,NA
-FC(Oc1ccc(cc1)N)(F)F,NA
-O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,NA
-CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,NA
-Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,FP
-O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,NA
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,FP
-Nc1ccc(cc1Cl)C(F)(F)F,NA
-CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,NA
-N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,NA
-COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],FP
-[O-][N+](=O)c1ccccc1[O-].[Na+],NA
-[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],FP
-CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,NA
-OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,NA
-Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,NA
-OCc1ccc(cc1)NS(=O)(=O)N(C)C,NA
-OCC1OC(Oc2cc(C)ccc2NS(=O)(=O)N(C)C)C(C(C1O)O)O,NA
-Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,FP
-O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,NA
-CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,NA
-CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],NA
-O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,NA
-CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,NA
-COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,FP
-OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,NA
-OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,NA
-COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,NA
-Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,FP
-Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,NA
-Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,NA
-CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,FP
-O=C1NC(=O)N[C@@]1(C)c1ccccc1,NA
-O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,NA
-CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,NA
-CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,NA
-CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,FP
-CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,NA
-CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,NA
-O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,NA
-O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,NA
-O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,NA
-N#CCNC(=O)c1cnccc1C(F)(F)F,NA
-OC(=O)c1cnccc1C(F)(F)F,NA
-NC(=O)c1cnccc1C(F)(F)F,NA
-O=C(c1cnccc1C(F)(F)F)NCC(=O)O,NA
-O=C(c1cnccc1C(F)(F)F)NCC(=O)N,NA
-Oc1ncc(c(c1)C(F)(F)F)C(=O)O,NA
-CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,NA
-CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,NA
-CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,NA
-CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,NA
-Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,NA
-Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,NA
-C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,FP
-Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,NA
-OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,NA
-OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,NA
-N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,NA
-NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,NA
-CC(c1ccc(nc1)C(F)(F)F)O,NA
-CCc1ccc(nc1)C(F)(F)F,NA
-CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,NA
-CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,NA
-ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,NA
-CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,NA
-c1coc(c1)c1nc2c([nH]1)cccc2,NA
-CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,NA
-CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,NA
-CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,NA
-[O-]P(=O)([O-])[O-].[Fe+3],NA
-Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,NA
-CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,NA
-Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,NA
-C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,NA
-C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,NA
-O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,NA
-O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,NA
-O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,FP
-OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,NA
-C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,NA
-O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,FP
-O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,NA
-N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,NA
-Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,NA
-Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,NA
-COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],NA
-COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,NA
-COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,NA
-OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,NA
-COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,FP
-CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,NA
-Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,NA
-O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,NA
-CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,NA
-O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,NA
-OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,NA
-Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,NA
-CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,NA
-O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,NA
-N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,NA
-N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,NA
-N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,NA
-N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,NA
-N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,NA
-OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,FP
-NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,NA
-Cc1cc(=O)[nH]o1,TN
-OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,NA
-Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,NA
-C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,NA
-Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,NA
-OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,NA
-COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,NA
-O=c1[nH]cc(cc1Cl)C(F)(F)F,NA
-Cn1cc(cc(c1=O)Cl)C(F)(F)F,NA
-COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,NA
-Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,NA
-CNc1nc(OCC(F)(F)F)nc(n1)N,NA
-FC(COc1nc(N)nc(n1)N)(F)F,NA
-O=C1NS(=O)(=O)c2c1cccc2C,NA
-NCP(=O)(O)O,NA
-CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,NA
-OC(=O)C(F)(F)F,NA
-CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,NA
-OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,NA
-Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,NA
-C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,FP
-COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,NA
-N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,NA
-CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,NA
-CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,NA
-F[C@H](C(C(Cl)(F)F)(F)F)Cl,TN
-Nc1cc(N)c(cc1/N=N/c1ccccc1)C,NA
-Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,NA
-C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,NA
-OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,FP
-OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,NA
-C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,NA
-OC(=O)CC[C@@H](C(=O)O)N.[K+].O,NA
-Cc1nccc2c1[nH]c1c2cccc1.Cl,NA
-O=NN1CCO[C@H](C1)O,NA
-O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,NA
+OCc1ccc(cc1[N+](=O)[O-])N,TP
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,TN
+Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],TP
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-Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,NA
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-c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,NA
-O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],NA
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-O(C[C@@H]1OC1)CCOC[C@@H]1OC1,NA
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-N#CC(/N=N/C(C#N)(C)C)(C)C,NA
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-[N-]=[N+]=CC(=O)NCC(=O)NN,NA
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-[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,NA
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-[O-][N+](=O)c1cccc2c1[nH]nc2,NA
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-[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],NA
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-[O-][N+](=O)[C@@H](CC)C,NA
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-Cl[C@@H](C=C)CCl,TN
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-BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,NA
-C/N=N/O.[K+],NA
-CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,NA
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-[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,NA
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-O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,FP
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-[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,NA
-Cc1cc(O)c(c(=O)o1)C(=O)C.[Na+],FP
-O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,NA
-OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,NA
-O=CCC=O,NA
-Cc1nsc(c1)N.Cl,NA
-CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,NA
-O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,NA
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-OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,NA
-O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,NA
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-Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],NA
-c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,NA
-O=C1c2cc3ccccc3cc2-c2c1cccc2,NA
-CNc1ccc(cc1)/N=N/c1ccccc1,NA
-CCN(c1ccc(c(c1)O)N=O)CC.Cl,NA
-C[C@@H](c1ccccc1)Br,NA
-COc1cc(CNC(=O)[C@H](Br)C)ccc1O,TP
-OC(=O)c1ccccc1.[Na+],NA
-OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,NA
-Cc1ccc2c(-c3ccccc3[C@H]2C)c1,TP
-O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,NA
-CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,NA
-[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,NA
-O=c1cn[nH]c(=O)[nH]1.OCCNCCO,NA
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-O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,NA
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-[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,NA
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-O[C@@H]1OC(=O)C=C1CCl,NA
-Cc1cccc2c1-c1ccccc1[C@@H]2C,NA
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-CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,TP
-CC[C@H](OS(=O)(=O)C)C,NA
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,TP
-COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,FP
-Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],NA
-N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,NA
-c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,NA
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-O=CC[C@H](CCC=C(C)C)C,NA
-Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,NA
-COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,NA
-Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,NA
-C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,NA
-ONc1ncnc2c1nc[nH]2,NA
-N#C/C=C/C#N,FP
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-O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,NA
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-[N-]=[N+]=CC(=O)NCC(=O)N,NA
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COc1cc(ccc1OC)Cc1cnc(nc1N)N,NA
-CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,NA
-CCOCCOC(=O)/C=C/c1ccc(cc1)OC,NA
-C[C@@]1(CO1)[C@H]1CO1,NA
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-OC/C=C(\CCC=C(C)C)/C,NA
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-C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,NA
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-O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,NA
-OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],NA
-OCCCCCl,NA
-Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,NA
-N[C@H](C(=O)NCC(=O)O)CS,NA
-[O-][N+](=O)c1ccc(cc1)COc1ccccc1,NA
-O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,NA
-Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],NA
-C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,NA
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+BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,NA
+CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,TN
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CC(C[C@@H]1NC(=O)CNC1=O)C,NA
-CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,NA
-ClNc1nc(NCl)nc(n1)NCl,NA
-C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,NA
-COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,NA
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-OC(=O)/C=C/C(=O)O,NA
-O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,NA
-CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,NA
-COc1nsc2c1cccc2OC[C@H]1CO1,NA
-CNNC,NA
-[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,NA
-N#C[C@@H]1COCC[N@]1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,NA
-C[C@@H](c1ccccc1)N(C)C,NA
-OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,NA
-CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,FP
-COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,NA
-C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,NA
-O=C1CC[C@H](N1C)c1cccnc1,NA
-CCCCC/C=C/C=C/C=O,NA
-Clc1ccc(cc1)C[C@@H]1OC1,NA
-C/C=C/C=C/C(=O)O.[K+],NA
-O=C/C=C(/CCC=C(C)C)\C,NA
-c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,NA
-CN(c1ccc(cc1)/N=N/c1ccccc1)C,TP
-OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],NA
-O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,NA
-Cc1cccc2-c3c([C@H](c12)C)cccc3,NA
-SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,NA
-Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,NA
-CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,NA
-O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
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+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,TN
+OC(=O)Cc1ccccc1[N+](=O)[O-],TP
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+O=C1C=CC(=NC(=O)C)C=C1,TN
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+C=CCc1ccc(cc1)O,TN
+O=C1C=CC(=O)C(=C1)Cl,TN
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+C[C@@H]1CN(N=O)[C@H](CN1N=O)C,TP
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+CCCCCN(N=O)CCCCC,FN
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+Clc1cccc(c1)c1nc2c(o1)cccc2,TN
+CC(=O)n1ncc(c(c1=O)Cl)Cl,FP
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+O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,TN
+[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],TP
+CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],TP
+N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,FP
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+N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,TP
+N#CCc1cn(c2c1cccc2)N=O,TP
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+CCc1ccc(cc1)C,TN
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+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,FN
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+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,TN
+NCCN1CCNCC1,TN
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,TN
+CCCCCCCCCCCCCCCCCC(=O)O.[Li+],TN
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+[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,TP
+OC(=O)C[C@@H](C(=O)O)C,TN
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+C[C@@H]1CNC[C@H](O1)C,FN
+Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,NA
+CC(Cc1nccs1)C,NA
+Cc1cc(ccc1N)c1ccccc1C,TP
+CC(c1ccc(cc1)C(C)(C)C)O,NA
+OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,FP
+CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,TN
+O=Nc1ccc(cc1)Sc1ccccc1,TP
+COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,TP
+COP(=O)(OC)OC,TP
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],TP
+Clc1cccc2c1cccc2,TP
+Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],FP
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,TN
+ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,FN
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
+CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],FP
+COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,TN
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+c1ccc(cc1)c1ccccc1,FP
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+Nc1cccc(c1)Cl,TN
+COCCO,FP
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+CCCNc1snc2c1cccc2,TN
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+OC(=O)/C=C/c1ccc(c(c1)O)O,TN
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+CC(CCOS(=O)(=O)C)C,TP
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+OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,TN
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+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,TP
+CN(/C=N/c1ccc(cc1C)Cl)C,FP
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,TN
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,TN
+Nc1cccc(c1)[N+](=O)[O-],TP
+Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,TP
+O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],TP
+C=CCCCC[C@@H]1OC1,FN
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
+COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,TN
+Cc1ccc2c(c1)nc(n2C)N,TP
+Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],TN
+O1CCOCC1,TN
+Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],TP
+ClCC=C,TP
+Oc1cccc(c1C)O,FP
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,TN
+FC(C(C(F)(F)F)F)F,TN
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,TN
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,TN
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
+O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,NA
+CNP(=O)(N(C)C)N(C)C,FN
+CC(c1ccc(cc1)NC(=O)N)C,TN
+SCc1ccccc1,TN
+CCC(CC(CC(Cl)C)Cl)Cl,TN
+CCCCCOC(=O)C(=C)C,TN
+CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,FP
+O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,TP
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,TP
+C=CC(=O)OC[C@H]1CO1,FN
+CCN,TN
+Nc1ccc(c(c1)[N+](=O)[O-])N,TP
+[O-]P(=O)(OC)O,TN
+Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,TP
+COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,FP
+C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,FN
+ClCCOC(=O)C=C,FN
+COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,TN
+[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,TP
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,TP
+O=NN(CCCC(=O)c1cccnc1)C,NA
+CCn1c2ccc(cc2c2c1cccc2)N.Cl,TP
+Nc1cccc2c1c(N)ccc2,TP
+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,FP
+O=Nc1ccc(cc1)c1ccccc1,TP
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,TP
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,TP
+ClC(C(Cl)(Cl)Cl)Cl,TN
+OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,TN
+Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,FP
+O=C(C1(C)OC1)NCc1ccccc1,TP
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,TP
+Cc1nccnc1C,TN
+OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,TN
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,TN
+CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,FP
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],TP
+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,TP
+CNc1nc(OCC(F)(F)F)nc(n1)N,TN
+CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,FP
+COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,TP
+c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,FP
+CC(=O)C,TN
+NNc1ccccc1[N+](=O)[O-],TP
+CCCCC(CCCC)(CCC)S,TN
+Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,NA
+C1CC2CCc3c(C42C(C1)O4)cccc3,TN
+OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,TP
+CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,FP
+Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,TP
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,TN
+Nc1ccccc1S,TP
+O=C/C=C/C=C/C=O,TP
+[O-][N+](=O)c1ccc2c(c1)cns2,TP
+CCCCCCCCCc1ccc(cc1)O,TN
+Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,TP
+CN=[N+](C)[O-],FN
+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,TN
+COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],TP
+O=C(C(=O)O)C(=O)O,TN
+C[C@H]1CO1,FN
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,TN
+COc1ccn(c(=O)n1)CC(CN=N#N)O,TP
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,TP
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,TN
+C[C@H](c1ccccc1)O,TN
+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
+O=C(C1(C)OC1)Nc1ccccc1,TP
+c1ccc(cc1)Nc1ccccc1,TN
+O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,TP
+Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,TN
+Nc1ccc(cc1)N,TP
+CCOCOCC,TN
+CC(=O)Nc1ccc2c(c1)nccc2,FN
+CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,TN
+OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,TP
+Br[C@@H](C=O)CBr,TP
+CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,TP
+NNc1ccccc1,TP
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,TP
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,FP
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,TN
+COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,TP
+CN1CCN=N1,FN
+CC1=NNC(=O)N(C1)N,FP
+c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,TP
+Cc1cccc2c1cc1ccccc1c2,FP
+O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,TP
+O=C1CCCCCO1,TN
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,TN
+NC(=O)Nc1ccc(cc1)Br,TN
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,TP
+CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,TN
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,TP
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,TN
+CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,FN
+Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,FP
+ONc1ccc(cc1)N=O,TP
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,TP
+Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,TN
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
+NC(=O)O[C@H]1CO1,FN
+OC(=O)c1cccc(c1Cl)Cl,TN
+CONC(=O)Nc1ccc(cc1)Br,TN
+Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,TN
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,TP
+CCCC(=O)Nc1snc2c1cc(C)cc2,TN
+CCCCN(C[C@@H](CC)O)N=O,TP
+NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,TP
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,TP
+O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,NA
+Nc1ccn(c(=O)n1)CC(CN=N#N)O,TP
+O=CCCCC=O,TP
+c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,TP
+O1CCC2(CC1)CO2,TP
+CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,TN
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,TN
+CCCCCCC=O,TN
+CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
+Clc1cc(Cl)c(c(c1)Cl)Cl,TN
+COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,TN
+CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,FN
+COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,TN
+BrCc1ccc(cc1)CBr,TN
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,TP
+O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,TP
+CCCCOP(=O)(OCCCC)OCCCC,TN
+NC(C(=O)O)CN=N#N,TP
+Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,TP
+Fc1ccccn1,FN
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],TP
+N#[N+]c1ccc(cc1)[N+](=O)[O-],TP
+CC(=O)Nc1ccccc1C,FN
+O=P1(OCc2c(O1)cccc2)Oc1ccccc1,NA
+CC(=O)Nc1snc2c1cc(Cl)cc2Cl,FP
+CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,TN
+OCC1CC1,FP
+CON,TN
+OC(=O)c1ccc(cc1)N,TN
+CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,TN
+CN(P(=O)(N(C)C)N(C)C)C,TN
+O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,TN
+Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],TN
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,TP
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,FN
+Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,TN
+OC(=O)C(Br)(Br)Br,TP
+Brc1ccc(cc1)c1ccccc1,FP
+CCCC(=O)Nc1snc2c1cc(Cl)cc2,TN
+O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,FP
+ONS(=O)(=O)c1cccc2c1nccc2,NA
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],TN
+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,NA
+Nc1ccc(c(c1)C(F)(F)F)Cl,TN
+OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,FP
+NCCCNCCCN,TN
+CC(CCON=O)C,TP
+O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,TN
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,TP
+CCOCCOC(=O)C,FN
+CCCCCCCCCCCCCCCCN,TN
+COc1ccc(cc1)N=O,TP
+NC(C(=O)O)COC(=O)/C=N#N,TP
+CNC(=O)N(c1ccccc1)c1ccccc1,TN
+FC(c1ccc(cc1)Cl)(F)F,FP
+COc1ccc(cc1)C=O,TN
+OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],TP
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,TN
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],NA
+COc1nsc2c1c(ccc2)[N+](=O)[O-],TP
+CCCCCCCCCCCCc1ccccc1,TN
+C/C(=N/O)/CC,FN
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,TN
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,TP
Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,TP
-COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,NA
-NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,FP
-CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,NA
-Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,NA
-O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,NA
-CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,NA
-O=C/C=C/c1ccco1,NA
-CCCCCCCCCCCCCCCCCC(=O)O.[Li+],NA
-COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,NA
-Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,TP
-CCCC[N+](=O)[O-],NA
-[O-][N+](=O)c1nc[nH]c1c1ccccc1,NA
-N[C@H](C(=O)O)CSCCCl,NA
-OC(=O)O.[Ca+2],NA
-OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,NA
-Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,NA
-O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,NA
-O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O.[Na+].[Na+],NA
-C=CC(=O)OCCOC(=O)C=C,NA
-O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],TP
-C/C=C/C=C/C=O,NA
-CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,NA
-COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,TP
-OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,NA
-Cc1cc(N)c(cc1N)C,NA
-O=c1cn[nH]c(=O)[nH]1.NCCO,NA
-COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],FP
-O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,NA
-O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,NA
-O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,NA
-CCCCC/C(=C\c1ccccc1)/C=O,NA
-CN(CC(=O)O)C.Cl,NA
-Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,NA
-O=C([C@]1(C)OC1)NCc1ccccc1,NA
-ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,NA
-Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,NA
-O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,NA
-COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,NA
-CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,NA
-Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,NA
-C[C@H](C(=O)NCc1ccccc1)Br,NA
-CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,NA
-Nc1c2ccccc2nc2c1cccc2.Cl.O,NA
-O=C1C=C/C(=N/C(=O)C)/C=C1,NA
-C[C@H]([C@H](O)C)O,NA
-c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,NA
-ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,NA
-OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,NA
-ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,NA
-COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,NA
-CC/N=[N+](/CC)\[O-],NA
-Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,NA
-OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,NA
-CCCCCCC[C@@H]1CCC(=O)O1,NA
-CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,NA
-CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,NA
-Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],NA
-CCO[P@@](=O)(N(C)C)C#N,FP
-CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,NA
-OC(=O)CS.[Na+],NA
-NC[C@]1(C)C[C@H](N)CC(C1)(C)C,NA
-CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,NA
-O[C@@H]1OC(=O)C(=C1C)Cl,NA
-NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,NA
-CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,FP
-ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,NA
-OC(=O)CC[C@@H](C(=O)O)N.O.N,NA
-Sc1ncnc2c1[nH]cn2.O,NA
-SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,NA
-COc1cc(ccc1OC)C[C@H]1CO1,NA
-CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,NA
-CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)[N@@]2N1C(=O)c2c(C1=O)cccc2)C)C,NA
-OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],TP
-C[n+]1c2ccccc2cc2c1cccc2N.Cl,NA
-CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,NA
-Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N,NA
-CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,NA
-O(Cc1cccc2c1cccc2)C[C@H]1CO1,NA
-CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,NA
-Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,NA
-OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],NA
-ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,NA
-Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],NA
-CN/N=N/C,FN
-CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+],NA
-O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,NA
-C/C(=C\C)/C#N,NA
-[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,NA
-OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,NA
-[O-]/[N+](=N\c1ccc(c(c1)N)C)/c1ccc(c(c1)N)C,NA
-CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OC[C@@H](CCCC)CC,NA
-Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,NA
-OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],TN
-COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,TP
-C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,NA
-O[C@H]1C=C[C@@H]2[C@@]34[C@H]1Oc1c4c(C[C@H]2N(CC3)C)ccc1O,NA
-C[C@H]1CS1,NA
-O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,NA
-Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,NA
-O=C([C@]1(C)OC1)Nc1ccccc1,NA
-Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,NA
-O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,NA
-OC(=O)[C@@H](CCl)Cl,NA
-COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,NA
-CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-OCCNc1ccc(cc1[N+](=O)[O-])N,NA
-ClCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,TP
-C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,NA
-C/C=C\c1cc(OC)c(cc1OC)OC,NA
-O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,NA
-CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],NA
+C[C@@H]1CC[C@H](CC1)C(C)C,TN
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,NA
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+CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,TN
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,TP
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,FN
+CCCN(CCCCO)N=O,TP
+CCCCNc1snc2c1cccc2,TN
+ONc1ccc(c(c1)C)C,TP
+C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,TN
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,TN
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+NC(C(=O)O)CCCCNCC(C(=O)O)N,TN
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+COc1cc(C=O)ccc1OC,TN
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],TN
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,TN
+CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,TP
+[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],NA
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+CCOC(=O)CC(=O)C,TN
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+ClCCN(CCCl)CCCl,FP
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+C=CC(=O)OCCCCOC(=O)C=C,TN
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O=c1n(C[C@H]2CO2)sc2c1ccc(c2)OC[C@H]1CO1,NA
-CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl.Cl,NA
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+c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,TP
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+CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,TN
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+O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,TN
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+CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,TN
+CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,TN
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],TP
+Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+CC1(OC1)c1ccc(cc1)Br,TN
+CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,FP
+c1ccc(cc1)NNc1ccccc1,TP
+CCCCCCCCOc1ccc(cc1)C(=O)O,TN
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,TP
+CC(=O)Nc1ccc(cc1)c1ccccc1,TP
+Cc1cc(C)c2c(c1)ccc1c2cccc1,TP
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,TP
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+CCCCCC(=O)OCC,TN
+C[C@]1(OC1)c1ccc(cc1)c1ccccc1,TP
+CCCCOC(=O)c1ccc(cc1)O,TN
+OCCCBr,TP
+c1ccc(cc1)N=Nc1ccccc1,TP
+ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
+OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,TN
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,TN
+[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],TN
+Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,TN
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+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,TP
+CCC(=O)n1ncc(c(c1=O)Cl)Cl,TN
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+O=C1CCCC2=C1C(C)(C)[C@@H](C2(C)C)C,TN
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+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,TN
+O=C1NS(=O)(=O)c2c1scc2,TN
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],TP
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,TP
+C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,NA
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+SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
+CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,TN
+N#N=Nc1nc2c(n1C)cccc2,TP
+Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,TP
+Nc1cccc2c1cc1ccccc1n2,TP
+Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,TP
+COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
+OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,NA
+C(C1OC1)CC1OC1,TP
+CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,NA
+Sc1ncc(c(n1)O)C,TN
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,TP
+[O-][N+](=O)c1ccc2c3c1CCc3ccc2,TP
+N=C(Nc1ccccc1)Nc1ccccc1,FN
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-C/C(=N\O)/C(=O)C,NA
-c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,NA
-COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@]2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2,NA
-OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,NA
-Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O.O.O,NA
-ClCc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,NA
-C[C@H]([C@@H](CCl)Br)Br,NA
-CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,NA
-COC[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C,NA
-CC(=O)N[C@H](C(=O)O)CSCCCl,NA
-CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,NA
-CC(=O)/C=C/C1=C(C)CCCC1(C)C,NA
-Cc1ccc(cc1C)S(=O)(=O)O.[Na+],NA
-CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,NA
-c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,NA
-CCc1cc(N)cc(c1Cc1c(C)cc(cc1CC)N)C,NA
-CC(=O)CC(=O)C,NA
-[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,TP
-C/C=C(\C=O)/Cl,NA
-NC(=N)NC(=O)c1nc(Cl)c(nc1N)N.Cl,NA
-O=C1CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1,NA
+ClCC(=O)Nc1snc2c1cccc2,TP
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,FN
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+OCC(CO)(CO)CO,TN
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+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,FP
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+COc1nncc2c1cccc2,TN
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+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,TN
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+OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,TP
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+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,TP
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,TN
+COc1ccc(c(c1)C(C)(C)C)O,TN
+CCCCB(CCCC)CCCC,FN
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+CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,TP
+CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,NA
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+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,TN
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+O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,TN
+O=C1NS(=O)(=O)Cc2c1cccc2,TN
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+COP(=S)(SCC(=O)N(C=O)C)OC,TN
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+O[C@@H](COc1cccc2c1cccc2)CNC(C)C,TN
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+O=C1NOCC1(C)C,TN
+CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,TN
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+Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,TP
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+COC(=O)C,FP
+CNc1ccc(cc1)N=Nc1ccc(cc1)NC,FP
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+Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,FP
+Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,TN
+COc1cccc(c1C(=O)N)OC,TN
+CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,TN
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],TN
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+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,TN
+CCC(COC(=O)CCCCC(=O)O)CCC(O)C,TN
+OC(=O)CC[C@@H](C(=O)O)N.[K+],TN
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+c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,TP
+Cn1c(N)nc2c1cc1ccccc1c2,TP
+ClCCCC(=O)N(c1snc2c1cccc2)C,FP
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,TN
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,TN
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,FP
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,TP
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,FP
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,TN
+OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,TN
+CCCCCNCCCCC,TN
+Nc1ccc(cc1)O,TN
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,TN
+CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,FP
+O=C1NC(=O)NC(=O)C1(O)O,TN
+Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],TP
+CCCCON(C(=O)c1ccccc1)OC(=O)C,TP
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,TP
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,TN
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,TP
+CN1CCN(CC1)C,TN
+Cc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
+Clc1ccc2c(c1)oc1c2cccc1,NA
+COc1ccc(cc1)C(C=C)O,TN
+Cc1ccc(cc1)OC[C@@H]1OC1,TP
+ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,TP
+OC[C@@H]1SCCN1N=O,TP
+NC[C@H](N)C,TN
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],TP
+OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,TN
+OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,TP
+COC(CC(=O)C)(C)C,TN
+CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,TN
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,TN
+CCC/C=C(\C=O)/CC,TN
+Nc1c2cc(C)ccc2nc2c1cc(C)cc2,TP
+CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,NA
+CCCC(=O)OC1CCCCC1,TN
+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,TN
+CCOCCOCCOCC,TN
+CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,TP
+C=CC(=O)OCC(C)(C)C,TN
+NCCC#N,TN
+Cc1cc(C)cc(c1)N,FN
+O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,TP
+CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,FN
+N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,TP
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,FN
+CC(=O)Nc1ccc(cc1)O,TN
+COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,TN
+CCCCCC(/C=C/C=O)O,TN
+COC(=O)C1=C(C)C(OC1=O)C(C)C,NA
+CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,TP
+CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,TP
+COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,TP
+CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],TN
+Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,TP
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,TP
+OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,TN
+C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,FN
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CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],NA
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-COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,NA
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-[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,NA
-Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,NA
-ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC.Cl.Cl,NA
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-[N-]=[N+]=NCc1ccccc1,NA
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-[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,NA
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-[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],TP
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-[O-]/[N+](=N\c1ccccc1)/c1ccccc1,NA
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-[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,NA
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+CCCCOC(=O)c1ccc(cc1)N,TN
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+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,TP
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+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,TP
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+CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,TP
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+CCNC(=O)CCC(C(=O)O)N,TN
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+Cc1c(N)cccc1Cl,TN
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+O=C1c2ccccc2-c2c1c1ccccc1cc2,FP
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+O=CCCN(C(=O)OCC)N=O,TP
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+OCC(CBr)(Br)C,FP
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+CC(OC)CCO,TN
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+OCC(C(=O)O)N,TN
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+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,NA
+OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,TN
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+FC(C1=C(C=N[N]1)C(=O)O)F,TN
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+OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,TP
+CN(C=O)N,FP
+OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,FN
+OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,TP
+CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,TP
+Oc1ccc(cc1N)S(=O)(=O)C,TN
+Nc1ccccc1c1ccccc1.Cl,TP
+N#CC1=C(SCCS1)C#N,TN
+CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,TN
+COc1cccc(c1)/C=C/c1ccc(cc1)N,TP
+OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,FN
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,TP
+Nc1ccc2c(c1)nc1c(c2)cccc1,TP
+NC(=O)N,TN
+Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,FP
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,TP
+Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,FP
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,TP
+CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,TP
+[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,TP
+CNc1nc(C)c(c(n1)O)C,TN
+OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,TN
+ClC(=O)c1ccccc1,FN
+NC(=O)Nc1nc2c([nH]1)cccc2,TP
+Oc1cc(Cl)c(c(c1)Cl)Cl,TN
+NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,TN
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,TN
+COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],FN
+O=Cc1ccc2-c1cc(ccc2C)C(=C)C,NA
+CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,FN
+COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+Cc1ccccc1S(=O)(=O)N,TN
+Clc1ccc(c(c1)O)Cl,TN
+O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,TN
+[O-][N+](=O)[C@@H](CC)C,TN
+CC(c1ccccc1)CN=N#N,TP
+Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,TN
+OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,TP
+OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,TP
+c1cc2ccc3c4c2c(c1)cnc4ccc3,TP
+Clc1ccc(c(c1)Cl)N,FN
+[O-][N+](=O)C1CCCC1,TP
+Oc1ccc2c(c1)cccc2O,FN
+CC[C@H](c1ccccc1O)C,TN
+ClCC(=C)Cl,TP
+O=c1[nH]c(=O)[nH]c(=O)[nH]1,FP
+O=C([C@@H]1OC1)Nc1ccccc1,TP
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,FP
+CCC/N=N/O.[K+],TP
+Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],TP
+OCc1nc(N)nc(c1)C1CC1,TN
+Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,TP
+CN(CC[C@H](c1ccccn1)c1ccccc1)C,TN
+O=C(c1ccccc1)OOC(C)(C)C,FN
+COc1c(Cl)ccc(c1C(=O)O)Cl,TN
+Cn1c(N)nc2c1cc1ccccc1n2,TP
+Clc1ccc(c(c1)N)O,FN
+[O-][N+](=O)c1ccc(c(c1)N)O,TP
+O=C1NS(=O)(=O)c2c1cccc2C,TN
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,FP
+ClCCN(C)C,FN
+[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,TP
+ClCC(=O)NCc1ccccc1,TP
+CCCCOCCOCCOCCCC,TN
+O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,TP
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,TP
+ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,FP
+CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,TN
+[O-][N+](=O)c1cccc2c1c(C)ccc2,TP
+Oc1ccnc(n1)O,TN
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,TP
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,TP
+C/C=C\c1cc(OC)c(cc1OC)OC,FN
+CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,NA
+Cc1ccc(cc1)N(C)C,FN
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,TP
+CCCC(C(=O)O)CCC,TN
+O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,NA
+CCCC=O,FP
+Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],FN
+OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,TN
+CCOC(C(=O)C(O)O)C,FN
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,TN
+O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,TP
+O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,TP
+CCOC(=O)CNC(=O)C(Br)(C)C,FP
+Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,NA
+CCOC(=O)[C@H](Br)C,TP
+O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,TP
+O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,TN
+CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,TP
+Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl,TN
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,TN
+CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,TP
+BrCc1c2ccccc2cc2c1cccc2,TP
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,TP
+CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,FN
+CNC(=O)/C=C(/OP(=O)(OC)OC)\C,TP
+CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,TP
+O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,TN
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,TN
+CCn1c(N)nc2c1c(C)cc1c2cccn1,TP
+OC(=O)c1cccc(c1)C(=O)O,TN
+[N-]=[N+]=NCCc1ccccc1,TP
+COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,TP
+O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],TP
+Oc1ccc2c(c1)OCO2,TN
+CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,TP
+OC1OC(=O)C(=C1C)Cl,TP
+Oc1cccc2c1C(=O)c1ccccc1C2=O,TP
+COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],TN
+CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,TN
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,FP
+O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,TP
+CC(=N)S,TN
+Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,TP
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,TP
+COc1nncc2c1nccc2,TN
+c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,TP
+COC(=O)C(CSCCCl)N,TP
+[O-][N+](=O)c1cccc(c1N)O,TN
+Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,TP
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,TP
+Nc1ccc(cc1)Sc1ccc(cc1)N,TP
+COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],TP
+c1ccc2c(c1)Sc1c(O2)cccc1,FP
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,TP
+O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,FP
+OCC(=O)CO,FN
+[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],TP
Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,NA
-C[n+]1c2ccccc2cc2c1cccc2.Cl,NA
-COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,NA
-OC1=CC(=O)C1=O,NA
-[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],NA
-O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,NA
-C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C1CCCC1,NA
-OC(=O)CC[C@@H](C(=O)O)N.[K+],NA
-CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,TP
-OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,NA
-CNC[C@@H](c1ccc(c(c1)O)O)O,NA
-O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,NA
-OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,NA
-COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],NA
-CSCC[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO,NA
-COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1CCO[C@H]1O2,NA
-CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1,NA
-Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,NA
-Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,NA
-O=C1C=C(O)C(=O)c2c1cccc2,NA
-Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],NA
-CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],NA
-C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,NA
-OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,NA
-Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
-C1[N@@]2C[N@@]3C[N@]1C[N@](C2)C3,NA
-CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,NA
-O=C1C(=O)[C@]2(C([C@@H]1CC2)(C)C)C,NA
-CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,NA
-C/C=C/c1ccc(c(c1)OC)O,NA
-CC(C[C@@H](C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,NA
-Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,NA
-C[N+](Cc1ccccc1)(C)C.Cl,NA
-CN(/N=N/c1ccc(cc1)Br)C,NA
+Cc1cc2ccccc2c2c1c1ccccc1cc2,TP
+CC(C(=O)NCc1ccc(cc1)Cl)Br,TP
+COC=O,TN
+OC(=O)C=C,TN
+NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,FP
+Br/C(=C\c1ccccc1)/[N+](=O)[O-],TP
+Cc1ccc2c(c1)c(N)sn2,FN
+ClCc1c2ccccc2c(c2c1cccc2)C,TP
+O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,TP
+Cc1ncc(nc1)C,TN
+OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,TN
+CN([C@H]1C(=C(C(=O)N)C(=O)[C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C.Cl,TN
+CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,NA
+C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,TN
+COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,NA
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,FP
+COP(=O)OC,TP
+COCCc1ccc(cc1)OCC(CNC(C)C)O,TN
+O1Cc2c(C1)cccc2,FN
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,TP
+CCCCCCNCCCCCC,TN
+Oc1ncc(c(c1)C(F)(F)F)C(=O)O,TN
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,TN
+Nc1nc2c(n1C)c(C)cc1c2nccn1,TP
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,TN
+Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,TP
+CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,TN
+OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,TP
+OC(=O)C(Oc1ccc(cc1Cl)Cl)C,TN
+Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],TP
+Oc1ccc(cc1)c1ccc(cc1)O,FP
+OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,TP
+CNCCS(=O)(=O)O,FP
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TP
+OC1CCCCC1,TN
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,TN
+c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,FP
+OC1C=CC=CC1O,FN
+c1ncn[nH]1,TN
+COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,TN
+O=Nc1ccc2-c3c(Cc2c1)cccc3,TP
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,TP
+[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,TP
+CC=C,FN
+COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,TN
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,TP
+CC(=O)NNC(=O)c1ccccn1,FP
+c1ccc2c(c1)[nH]c1c2ccnc1,TP
+Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,FP
+CC(N(C(C)C)N)C,FN
+[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],TP
+OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,FN
+O=c1c2ccccc2[nH]c2c1cccc2,FP
+Nc1ccc(cc1)N=Nc1ccccc1,TP
+C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,TN
+ClC(=O)c1ccc(cc1)[N+](=O)[O-],TP
+BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,FP
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-[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,NA
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-O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],FP
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-CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],NA
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-CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,NA
-OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,NA
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-CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,NA
-CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,NA
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-Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],NA
-NNc1ccccc1.Cl,NA
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diff --git a/crossvalidations/predictions/cdk/lazar-high-confidence.csv b/crossvalidations/predictions/cdk/lazar-high-confidence.csv
index c5b8cc6..2892952 100644
--- a/crossvalidations/predictions/cdk/lazar-high-confidence.csv
+++ b/crossvalidations/predictions/cdk/lazar-high-confidence.csv
@@ -1,8309 +1,4980 @@
-O=C1c2ccccc2C(=O)c2c1c1[nH]c3c(c1c1c2[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O)ccc1c3C(=O)c2ccccc2C1=O,NA
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-OCc1cc2ccc3c4c2c(c1)ccc4ccc3,NA
-CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,NA
-C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,NA
-N#Cc1ccccc1C#N,NA
-CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],NA
-CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,NA
-C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,NA
-CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,NA
-CCCCCCOC(=O)C=C,NA
-CN(N=Nc1ccc(cc1)C(=O)O)C,NA
-ClC(c1ccccc1)(Cl)Cl,NA
-CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,NA
-O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,NA
-CCC([N+](=O)[O-])CC,FP
-CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,NA
-N#Cc1ccc(cc1)C,NA
-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],NA
-COc1nsc2c1ccc(c2)OCC1CO1,NA
-Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,NA
-[O-][N+](=O)NC(=N)N(N=O)CCCC,NA
-CCCON=O,NA
-CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,NA
-OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,NA
-O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,NA
-c1ccc2c(c1)ccc1c2c2CCCc2cc1,NA
-NCCC#N,NA
-Clc1cccc2c1c1ccccc1o2,NA
-C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,NA
-CCCCC,NA
-Cc1cccc(c1)O,NA
-CCCC(=O)OCc1ccccc1[N+](=O)[O-],FP
-BrCc1ccccc1,TP
-N#N=NCCC(C(=O)O)N,NA
-ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,NA
-CC(CCOC(=O)/C=C\c1ccccc1)C,NA
-Clc1ccccc1C(F)(F)F,NA
-NNS(=O)(=O)c1ccc(cc1)C,NA
-FC(C(F)(F)F)F,NA
-Cc1ccccc1S(=O)(=O)N,NA
-Sc1ncc(c(n1)O)C,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,NA
-c1cc2ccc3c4c2c(c1)ccc4cnc3,NA
-ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,FN
-c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,NA
-CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,NA
-Cc1ccc(c(c1)C)N,NA
-CN(N=O)C[C@@H](CO)O,NA
-OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,NA
-ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,NA
-C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,FN
-OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,NA
-O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,NA
-Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,NA
-OC(=O)/C=C/c1ccc(cc1)Cl,NA
-CCc1ccc(cc1)[N+](=O)[O-],NA
-NC(=O)CCCCC(=O)N,NA
-[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],NA
-CCCCOC(=O)c1ccccc1C(=O)OCCCC,NA
-OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,NA
-NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,NA
-NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,NA
-O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-COc1cccc(c1)N,NA
-CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],NA
-O=P1(OCc2c(O1)cccc2)Oc1ccccc1,NA
-Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,NA
-O=Nc1ccc(cc1)N(C)C,NA
-CN(N=Nc1ccc(cc1)Br)C,NA
-CC(=C)C(=O)OC(C)(C)C,NA
-CCc1ccccc1,NA
-OCC1OC(C(C1O)O)n1c(O)nc2c1nc(N)nc2O,NA
-Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,NA
-CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,NA
-N#Cc1cc(ccc1N)[N+](=O)[O-],NA
-Nc1c(C)cccc1N,NA
-CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,NA
-Nc1cccc2c1nccc2,NA
-Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,NA
-N#CCCNCCC#N,NA
-O=CC(C)C,NA
-Nc1sc2c(n1)cc(c(c2)Cl)Cl,NA
-COc1ccc(cc1)C=C,NA
-CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,NA
-Clc1ccnc2c1cccc2,NA
-COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,NA
-ClCC1=C(Br)C(=O)OC1,NA
-CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,NA
-COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,NA
-CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,NA
-O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,NA
-O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],NA
-NC(=N)S(=O)O,NA
-[O-][N+](=O)c1ccc2c(c1C)cccc2,NA
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,NA
-CP1(C)NP(C)(C)NP(N1)(C)C,NA
-C=CCOC(=O)COCCC(C)C,NA
-Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,NA
-OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,NA
-Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,NA
-CC(Nc1nc(NC(C)C)nc(n1)Cl)C,NA
-CNC(=O)CSP(=S)(OC)OC,TP
-OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],NA
-COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,NA
-CCOc1ccccc1C(=O)N,NA
-OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,NA
-Clc1ccc(cc1)S(=O)C,FP
-CCCCCCCC/C=C\CCCCCCCCN,FN
-NCCCNCCCN,NA
-NCCNCCO,NA
-COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,NA
-CCOS(=O)(=O)OCC,NA
-COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,NA
-C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,NA
-Cc1ccc(cc1)OC[C@@H]1OC1,NA
-[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],NA
-O=C1C=C(C)C(=O)c2c1cccc2,NA
-CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,NA
-Clc1ccc(c(c1)[N+](=O)[O-])C,NA
-O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,NA
-CCCC(=O)OC1CCCCC1,NA
-CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,NA
-COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,NA
-CCCCCCCCC=O,NA
-OC(=O)C(CCS(=O)(=N)C)N,NA
-CSCNc1ccccc1OC,NA
-O=Cc1cccc(c1)Cl,FP
-CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,NA
-CCCCCCCCn1sccc1=O,NA
-CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,NA
-OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,NA
-c1ccc2c(c1)cnnc2,NA
-OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,NA
-O=CC(=O)c1ccccc1,NA
-[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,FP
-O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],NA
-N#C/C(=C\c1ccccc1Br)/C(=O)OC,NA
-[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,NA
-C1NCCS1,NA
-OCCc1cn(c2c1cccc2)N=O,NA
-O=NN(Cc1cccc(c1)C)C,NA
-OCC(CO)(C)C,NA
-O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,NA
-N#C/C(=C\c1ccco1)/C(=O)OC,NA
-COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,FP
-OC(=O)c1ccc(cc1)N,NA
-COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,NA
-OC(=O)/C=C/c1ccccc1,NA
-N#Cc1cccc(c1)[N+](=O)[O-],NA
-COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,NA
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,NA
-CCN(c1ccc(cc1)[N+](=O)[O-])CC,NA
-CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,NA
-C/C(=C\C)/CCl,NA
-COc1cc(ccc1O)CC1CO1,NA
-OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,NA
-COCCO,NA
-Fc1cc2ccccc2c2c1cccn2,NA
-Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,NA
-N#Cc1ccc(cc1)C1(C)OC1,NA
-OCCNc1ccc(c(c1)O)C,NA
-O1Cc2c(C1)cccc2,NA
-N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,NA
-COc1ccn(c(=O)n1)CC(CN=N#N)O,NA
-S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],NA
-CC(C(C)C)C,NA
-c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,NA
-OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,NA
-CNc1ccccc1,NA
-O=C(C(=O)O)C(=O)O,NA
-c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,NA
-CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,NA
-CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,NA
-C/C=C/1\C[C@H]2C[C@@H]1C=C2,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,NA
-Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],NA
-ON=C1CCCCC1,NA
-COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,NA
-NC(=N)NNc1ccc(cc1)N=NC(=S)N,NA
-CCc1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-Cc1cnc2c(n1)ccc1c2nc(n1C)N,NA
-BrC(=C)C=O,NA
-[O-][N+](=O)c1ccnc2c1cccc2,NA
-Nc1nc2c(n1C)cc1c(n2)nccc1,NA
-OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,NA
-Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,NA
-CCCCCCCCCCO,NA
-[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],NA
-Cc1cccc(c1)C(=O)Cl,NA
-ClCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,NA
-Nc1cccc2c1snc2,TP
-COc1c2ccccc2[n+](c2c1cco2)[O-],NA
-COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,NA
-CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,NA
-OCC1OC(OC2C(O)CC3(C(C2(C)C(=O)O)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)C(C(C1O)O)O,NA
-O=C(Nc1ccc(cc1)Cl)CCC(=O)O,NA
-OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,NA
-CCCCOP(=O)(OCCCC)OCCCC,NA
-COC(=O)/C(=C/c1ccc(o1)Br)/C#N,NA
-OCC(C(C(=O)NCCC(=O)O)O)(C)C,NA
-ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],NA
-c1ccc2c(c1)nccn2,NA
-N#CC1=Cc2c3c1cccc3ccc2,NA
-CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,NA
-C=C1CCC2CC1C2(C)C,NA
-NC(=N)NS(=O)(=O)c1ccc(cc1)N,NA
-CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,FP
-CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,NA
-Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,NA
-OCCBr,NA
-OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,NA
-CN(c1ccc(nn1)NN)C[C@H](O)C,NA
-Oc1ccc(cc1)c1ccccc1,NA
-CC(=O)/C=C\C1=C(C)CCCC1(C)C,NA
-COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,NA
-COc1cc(ccc1N)[N+](=O)[O-],NA
-C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],NA
-COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,NA
-O/N=C/C1N(CCCN(C)C)C=CN1C,NA
-CC12OOC2(C)c2c(O1)ccc1c2cccc1,FP
-CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,NA
-OCCCCl,NA
-OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,FP
-CC(=O)OC[C@@H](CO)O,NA
-COCC(=O)O,FP
-O=Nc1c(O)ccc2c1cccc2,NA
-Cc1c(N)cccc1N=Nc1cccc(c1C)N,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,NA
-Clc1ccc(cc1)C(Cl)(Cl)Cl,TP
-CC(=O)c1ccc([nH]1)[N+](=O)[O-],NA
-Nc1ncnc2c1cnn2CC(CN=N#N)O,NA
-NC(=O)c1cnccn1,NA
-OC1C2OC2c2c(C1O)ccc1c2cccc1,NA
-C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,NA
-O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,NA
-CSc1cc(SC)c(c(c1N)C)N,NA
-CCN(c1ccccc1)N,NA
-CCOCCOCCOCC,TN
-COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,NA
-CC(OOC(C)(C)C)(C)C,NA
-CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,NA
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,NA
-N/C(=N\OS(=O)(=O)O)/c1ccccc1,NA
-ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,NA
-O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,NA
-Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,NA
-CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,NA
-CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,TP
-CNC(=O)ONC(=O)NC,TP
-O=S1(=O)CCCO1,NA
-Nc1nc2c(n1C)ccc1c2cncc1,NA
-ClC(C1=C(Cl)C(=O)OC1O)Br,NA
-Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,NA
-Nc1ccc(cc1)Sc1ccccc1,NA
-CC(=O)N(c1ccc2c(c1)cccc2)O,NA
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,TP
-[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,NA
-CCCCCC(=O)N,NA
-Cc1c(NC)ccc2c1nccn2,NA
-O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,NA
-Clc1cnc2c(c1C)cccc2,NA
-O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],NA
-CS(=O)(=O)OCCCCOS(=O)(=O)C,NA
-O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],NA
-CCOC[C@H]1CO1,NA
-c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,NA
-Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,NA
-COP(=O)(OC)OC,NA
-OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,NA
-ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,NA
-ClCc1cccc(c1)CCl,NA
-O=C(Nc1snc2c1cccc2)Nc1ccccc1,NA
-CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,NA
-O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,NA
-C/C=C/c1cc(OC)ccc1OC,NA
-OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,NA
-n1ccc2c(c1)cnnc2,NA
-CC/C=C/C,NA
-Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,NA
-O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,NA
-CC(=O)c1ccc2c(c1)cccc2,NA
-ClCC(=O)c1ccccc1,NA
-[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],NA
-O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,NA
-Nc1cccc2c1c(O)nnc2O,FP
-CCC(=O)Nc1snc2c1cc(C)cc2,NA
-OCC1OC(C(C1O)O)n1cc(O)c(nc1=O)N,NA
-Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,NA
-COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,NA
-O=NN(C(=O)Oc1ccccc1OC(C)C)C,TP
-Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],NA
-CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,NA
-O=NN(c1ccccc1)C,NA
-CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,NA
-CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,NA
-O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,NA
-ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,NA
-c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,NA
-Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,NA
-COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,NA
-C[Si](O[Si](C)(C)C)(C)C,NA
-CCCCCCCCCCCCCCCCCC(=O)N,NA
-OC(=O)C1OC(Nc2nc3c(n2C)ccc2c3nc(C)cn2)C(C(C1O)O)O,NA
-CC[Si](CC)(Cl)Cl,NA
-Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,NA
-[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,NA
-CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,NA
-COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,NA
-CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,NA
-O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,NA
-C1CCCCCC2C(CCCC1)O2,NA
-OCCc1ccc(cc1)N(C)C,NA
-Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,NA
-ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,NA
-CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,NA
-OC(=O)c1cc(O)c2c(n1)c(O)ccc2,NA
-O=C1CCCN1C,NA
-Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],NA
-N#CC(O)(C)C,NA
-CC(C[C@H](N)C)C,NA
-NCCc1c[nH]cn1,NA
-CN(NC(=O)CCC(=O)O)C,NA
-Oc1ccc2c(c1)cccc2O,NA
-Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,NA
-O=CCCN(C(=O)OCC)N=O,TP
-CCOC(C(=O)C(O)O)C,TP
-CC(COC(=O)C=C)O,NA
-OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,NA
-Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,NA
-COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,NA
-O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,NA
-[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],NA
-CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,FP
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,NA
-[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,NA
-CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,FP
-CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,NA
-COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,NA
-COc1cc(ccc1OC)CC1CO1,NA
-Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],TP
-CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,NA
-O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,NA
-Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,NA
-Nc1ccc2c(c1)c1ccccc1cc2,NA
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,NA
-c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,NA
-COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],NA
-CCCOS(=O)(=O)C,NA
-[O-][N+](=O)c1cccc(c1C)N,NA
-Nc1cnc2c(c1)cccc2,NA
-OC(=O)CCCCC1SCC2C1NC(=O)N2,NA
-O=C(c1ccccc1)OOC(C)(C)C,TP
-CC(=O)C1(CCNCC1)c1ccccc1,NA
-NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,NA
-O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,NA
-CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,NA
-Cn1cnc2c1ccc1c2cccn1,NA
-Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,NA
-Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],NA
-C=C,NA
-Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,NA
-OCN1[C@H](O)[C@H](N(C1=O)CO)O,NA
-[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,NA
-OC(=O)c1c(N)cccc1N,NA
-Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,TP
-Cc1ccc(cc1)Br,NA
-CC(CN1CC(OC1=O)C)O,NA
-CCNS(=O)(=O)c1ccccc1C,NA
-Nc1ccc2c(c1N=Nc1ccccc1)cccc2,NA
-Clc1ccc2c(c1)cccn2,NA
-CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,NA
-CCCCOC(=O)C=C,NA
-CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,NA
-Oc1cc(O)c2c(c1)oc(=O)cc2C,NA
-O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,NA
-[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,NA
-O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],NA
-ONc1ccc(cc1)Sc1ccccc1,NA
-O1CCOCCOCCOCC1,NA
-BrCc1c2ccccc2cc2c1cccc2,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],NA
-C=CC(=O)NCCCN(C)C,NA
-Nc1cccc2c1c(N)c1c(n2)cccc1,NA
-O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],TP
-Nc1ccc(cc1)[N+](=O)[O-],NA
-COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,NA
-Clc1cccc(c1)Cl,NA
-CCc1c2ccccc2cc2c1c1ccccc1cc2,NA
-CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,NA
-Nc1ccc(cc1O)c1ccc(c(c1)O)N,NA
-CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,NA
-NCCS,NA
-CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,NA
-C[n+]1c2ccccc2nc2c1cccc2,NA
-O=NC([N+](=O)[O-])(C)C,NA
-C1CCCCNC1,NA
-Cc1cccc(c1)Br,NA
-Clc1ccc(c(c1)Cc1ccccc1)O,NA
-COc1ccc(cc1)N,NA
-ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,NA
-[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],NA
-OC(=O)[C@H](O)C,NA
-OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,NA
-CCCCCCCCCCCCCCCCCC1=NCCN1CCO,NA
-Nc1cccc(c1)c1ccccc1,NA
-ONC(=O)c1ccccc1,NA
-NCCN1CCNCC1,NA
-ClCCN(c1ccc(cc1)C)CCCl,NA
-OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,NA
-COC(=O)c1cc2c([nH]1)c1ncccc1cc2,NA
-[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,NA
-Clc1cc(Cl)c(c(c1Cl)Cl)Cl,NA
-Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],NA
-CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,NA
-O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,NA
-O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,NA
-ClCC[N+](CCCl)(C)[O-],NA
-Cc1ccc2c(c1)nn[nH]2,NA
-ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,TP
-CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,NA
-c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,NA
-COC(=O)C1OC1c1ccccc1,NA
-CN(C1CCCCC1)C,NA
-CC(C(=O)Nc1ccccc1)Br,NA
-OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,NA
-O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,NA
-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,NA
-O=C1C(O)CC(N1C)c1cccnc1,NA
-CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,NA
-[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,NA
-CCCCCCCCC,NA
-CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,NA
-CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,NA
-Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,NA
-CNCCN(c1ccccn1)Cc1ccc(cc1)OC,NA
-CCCO/C=C/C=C/C=C/C=C/C=C/CC,NA
-[O-][N+](=O)c1nccn1C[C@H](COC)O,NA
-CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,NA
-CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,TP
-CC(=C)C(Cl)C,NA
-COc1c(C(=O)O)c(O)nc2c1cccc2,NA
-CC(Cc1ccccc1)N,NA
-O=C1CCC(=O)O1,NA
-[O-][N+](=Nc1ccccc1)c1ccccc1,NA
-COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,NA
-O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,NA
-Cc1cccc2c1cccc2,NA
-CCOC(=O)C(CS)N,NA
-C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,NA
-ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,TN
-CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,NA
-NC(=S)N,NA
-Clc1ccc(c(c1)N)N,NA
-COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,NA
-OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,NA
-O=Nc1ccc(cc1)c1ccccc1,NA
-C=CCN(CC=C)CC=C,NA
-ClC(=O)C(Cl)Cl,NA
-COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,NA
-CC(=O)c1ccccn1,NA
-O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],NA
-Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,NA
-CC(C(=O)OC)CN=N#N,NA
-c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,TP
-O=NN1CCCCC1,NA
-CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,NA
-ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,NA
-N#N=NCC1OC(O)C(C(C1O)O)O,NA
-FC(OC(C(F)(F)F)Cl)F,NA
-Nc1ccc(cc1)S(=O)(=O)O,NA
-Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,FP
-CCCCCCCCCc1ccc(cc1)O,NA
-O=NN1CCc2c(C1)cc(c(c2)OC)OC,NA
-C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,FP
-CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],NA
-OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,NA
-COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,NA
-CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,NA
-NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],NA
-OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,FP
-C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,NA
-CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,NA
-C/C(=N/O)/CC,NA
-Nc1nc2c(s1)cccc2,NA
-CCCCOO,NA
-COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,NA
-Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,NA
-c1ccc2c(-c3ccccc3C3C2O3)c1,NA
-OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,NA
-BrCCOC(=O)C(=O)OCCBr,NA
-Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,TP
-C[n+]1ccc(cc1)c1ccccc1,FP
-Brc1cc(Br)c(c(c1)Br)O,NA
-COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,NA
-[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,NA
-Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,NA
-C1CN2CCN1CC2,NA
-COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,NA
-Nc1ccc2c(c1)nc(c(n2)C)C,NA
-Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,NA
-O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],NA
-Nc1ccc(c(c1)N)N=Nc1ccccc1,TP
-OC[C@H](O)C,NA
-CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,NA
-Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,NA
-C=CC(=O)OCC(C)C,NA
-CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],NA
-OC(=O)C(Cl)(Cl)C,NA
-ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,TP
-CN(CCOC(c1ccccc1)c1ccccc1)C,NA
-C1=Cc2c(C1)ccc1c2ccc2c1cccc2,NA
-CC(=O)OCc1c2ccccc2cc2c1cccc2,NA
-COCCOC(=O)C=C,NA
-OCc1ccccc1N=Nc1ccc(cc1)N(C)C,NA
-OCC=C,TN
-Clc1c(O)cc(c(c1Cl)Cl)Cl,NA
-CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,NA
-Nc1ccc(c(c1C)N)N=Nc1ccccc1,NA
-BrCCCCCBr,NA
-CCN,NA
-OCCCl,NA
-CCCCCCCCCCCCO,NA
-O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,TP
-BrC1=C(Br)C(=O)OC1,NA
-Clc1cc(Cl)c(c(c1)Cl)N,NA
-c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,NA
-CC(CNCC(C)C)C,NA
-COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,NA
-Nc1n[nH]cn1,NA
-CCOC(=O)CNC(=O)C(Br)C,NA
-NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,NA
-ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,TP
-CCCCOC(=O)c1ccccc1N,NA
-CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,NA
-c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,NA
-CCCCCOC(=O)C=C,NA
-CC(OS(=O)(=O)C)C,NA
-Cc1c2ccccc2cc2c1c1ccccc1cc2,NA
-O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,NA
-OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,NA
-Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,NA
-CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,NA
-COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,FP
-BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,NA
-c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,NA
-Nc1cnc2c(c1C)nc1n2cccc1C,NA
-O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,NA
-CCCCCCCCCCCCOC[C@@H]1OC1,NA
-CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,NA
-Cc1cc2ccccc2c2c1c1ccccc1cc2,NA
-Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,NA
-O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,NA
-OC(=O)Cc1ccccc1Cl,NA
-C=CCCC(C=O)CC,NA
-Nc1cnn(c(=O)c1Cl)c1ccccc1,NA
-Nc1cnn(c(=O)c1Cl)c1ccccc1,NA
-COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,NA
-c1ccc2c(-c3ccccc3C3C2N3)c1,TP
-c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,NA
-C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,FP
-CC(C(=O)NCc1ccc(cc1)Cl)Br,NA
-NNC(=O)CNc1ccc2c(c1)cccc2,NA
-[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,TP
-O=C(C1(C)OC1)Nc1ccccc1,NA
-Oc1ccnc(n1)O,NA
-COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,NA
-OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,NA
-N#N=NCC(Cn1cnc2c1ncnc2N)O,NA
-ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,NA
-OC(=O)c1occc(=O)c1O,NA
-[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],NA
-CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,NA
-CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,NA
-C=CC(=O)c1ccc2c(c1)OCO2,NA
-OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,FP
-COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,NA
-O/N=C/c1ccncc1,NA
-C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,TP
-CCCNCCC,NA
-O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,NA
-CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,NA
-ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,NA
-CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,TP
-COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,NA
-Nc1ccc(cc1)c1ccc(cc1)N,NA
-Cc1ccc(o1)C,NA
-CCCCCN(CCCC)N=O,NA
-ONc1cnc2c(c1C)nc1n2cccc1C,NA
-C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,NA
-N1C2C1c1cscc1-c1c2csc1,NA
-Clc1ccc(cc1)CC[C@@H]1OC1,NA
-Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,NA
-CN(c1ccccc1)C,NA
-c1ccc2c(n1)cnnc2,NA
-OCC(=O)CO,NA
-OC(=O)c1ccc(cc1)C(=O)O,NA
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,NA
-CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,NA
-COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,NA
-O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-CCN(c1ccc(cc1)[N+]#N)CC,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,NA
-CCNc1nc(NC(C)C)nc(n1)Cl,NA
-COc1nncc2c1cncc2,NA
-OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,NA
-O=NN(c1cccnc1)C,NA
-CC(Nc1ccc(cc1)Nc1ccccc1)C,NA
-OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,NA
-ON1C(C)(C)CC(C1(C)C)C(=O)N,NA
-[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],NA
-ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,FN
-O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-c1cc2ccc3c4c2c(c1)cnc4ccc3,NA
-OCc1cc2ccccc2c2c1c1ccccc1cc2,NA
-[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,TP
-c1cc(cc(c1)c1ccccc1)c1ccccc1,NA
-NCCNCC,NA
-Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,TP
-c1ccc2c(n1)c1c(cc2)CCC2C1O2,NA
-CN(CCN(c1ccccc1)Cc1ccccc1)C,NA
-CCCCCCCCCCCCCCCCCCO,NA
-COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,NA
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,NA
-CSCNc1ccccc1C(=O)C,NA
-OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,NA
-Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,TP
-Oc1ccc(cc1N)S(=O)(=O)C,FP
-C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,NA
-COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,NA
-[O-][N+](=O)c1ccccc1C(F)(F)F,NA
-Fc1ccc(c2c1nccc2)F,TP
-CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,NA
-[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,NA
-CN1C=CN(C1/C=N/O)CCOCC#C,NA
-CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,NA
-CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,NA
-Cl[C@@H]1CN(C[C@H]1Cl)N=O,NA
-Nc1cccc2c1cccc2N,NA
-OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,NA
-O=Nc1ccccc1C,NA
-Oc1cccc(c1)/C=N/c1snc2c1cccc2,NA
-Cc1ccc(cc1)c1nc2c(o1)cccc2,NA
-CNc1ccc2c(c1N)cccn2,NA
-ONc1ccc(cc1)[N+](=O)[O-],NA
-CC(=O)Nc1ccc(cc1)N,NA
-Clc1c2ccccc2cc2c1cccc2,FN
-CCCCOC[C@H]1CO1,NA
-CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,NA
-Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,NA
-O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,NA
-CC[C@H](N)C,NA
-CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,NA
-CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,NA
-Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,NA
-CCCCN(CCC)N=O,NA
-O=Nc1nccn1C,NA
-c1cnc2c(c1)C1OC1C=C2,NA
-COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,NA
-CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,NA
-OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,NA
-Nc1ccc2c(c1)oc(=O)cc2C,NA
-CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,NA
-O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,NA
-CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,NA
-NC(=NC(=N)N)NCCc1ccccc1,NA
-Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,NA
-OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,NA
-CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,NA
-Cc1ccc(c2c1n(C)c1c2cccc1)C,NA
-O1C[C@H]1c1ccc(cc1)c1ccccc1,NA
-CC1=C(C)C(=O)C(=C(C1=O)C)C,NA
-Cc1ccc(cc1)C,NA
-O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,FP
-ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-COc1cc(ccc1O)C(=O)C,NA
-Cc1ccc(c(c1)O)C,NA
-ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,NA
-CCc1cc(cc(c1N)CC)c1ccccc1,NA
-CC1=CC2CCCCC2c2c1cccc2,NA
-OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,NA
-CCCO,NA
-COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,NA
-Nc1cccc(c1)[N+](=O)[O-],NA
-Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,NA
-COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,NA
-CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,NA
-OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,NA
-CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,FP
-CCCCCCCCCCCCCC[C@@H]1OC1,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,NA
-[O-][N+](=O)c1cc2c(cc1)ncn2C,NA
-O=NN1CC[C@@H]([C@H](C1)Br)Br,NA
-CCC(=O)Nc1snc2c1cccc2,NA
-CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,NA
-O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,NA
-ClC(Cl)Cl,NA
-COc1ccc(cc1)CNC(=O)C(Br)C,NA
-CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,NA
-Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,NA
-O=NN1CCOC(C1)O,NA
-O=C1CCC(=O)N1c1ccc(cc1)Cl,NA
-Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,NA
-C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,NA
-ClCc1c2ccccc2c(c2c1cccc2)CCl,NA
-O=NN1C[C@H](C)N([C@@H](C1)C)N=O,NA
-[O-][N+](=O)c1cccc(c1)C(F)(F)F,NA
-OC1COC(C(C1O)O)NCCc1c[nH]c2c1cccc2,NA
-O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,NA
-[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],NA
-COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,NA
-O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,NA
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-C=O,NA
-O=NN1CC[C@H](C1)O,NA
-Oc1ccccc1c1ccccc1,NA
-Oc1ccccc1c1ccccc1,NA
-CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,NA
-[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,NA
-c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,NA
-O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,NA
-COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,NA
-CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,NA
-CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,NA
-CCOc1ccc2c(c1)sc(n2)N,NA
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,TN
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+Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,TN
+CNCCO,TN
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+OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,TN
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+Cc1cnc2c(n1)ccc1c2nc(n1C)N,TP
+OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,TN
+O=NN1CCCC[C@H]1C,TP
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+CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,TN
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+OC(=O)c1cccc(c1N)O,TN
+N[C@H](c1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)O)(C)C.O.O.O,TN
+CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,TP
+COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,TP
+CCNc1cccc(c1)O,FN
+Nc1ccc2c(c1)oc1c2cccc1,TP
+CC(C=O)CC,TN
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+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
+CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,TN
+Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
+OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,TN
+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,TN
+c1ccc(cc1)c1ccc(cc1)CC1CO1,TP
+CCCCSCCC(C(=O)O)N,TN
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+CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
+Cc1cccnc1,TN
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+OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,TP
+CC(C[C@H](N)C)C,TN
+O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,TN
+CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,TP
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+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,TP
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+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,FN
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+CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,TN
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+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,TN
+COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,TP
+CC12OC1C1CCCCC1c1c2cccc1,TN
+CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,TN
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
+[O-][n+]1ncc2c(c1)cccn2,TN
+Clc1ccc(c(c1)C)O,TN
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,TN
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,NA
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+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],TN
+O1C(C1c1ccccc1)c1ccccc1,FP
+CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,FN
OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,TP
-COc1c(Cl)ccc(c1C(=O)O)Cl,NA
-OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,NA
-O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,NA
-OCc1c2ccccc2cc2c1cccc2,NA
-CS(=O)(=O)O,NA
-CCCCCNCCCCC,NA
-OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,NA
-Nc1ccc2c(c1)c(N)c1c(n2)cccc1,NA
-[O-][Cl](=O)(=O)=O,NA
-CC1=CCC(CC1)C(O)(C)C,NA
-OC1CC(C)(C)N(C(C1)(C)C)O,NA
-COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,NA
-O[C@@H](c1ccccc1)[C@H](N)C,NA
-O=CCC(CCC=C(C)C)C,NA
-Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],NA
-Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,NA
-CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,FP
-C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,NA
-Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,NA
-[O-][N+](=O)c1cccc2c1snc2,TP
-Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,NA
-COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,NA
-CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,NA
-[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,NA
-CCN(N(N=O)O)CC,NA
-O=Cc1ccc(c(c1)Cl)Cl,NA
-COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],NA
-O=NN1CCN(CC1)C,NA
-CNc1ccc(cc1)N=Nc1ccc(cc1)NC,NA
-Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],NA
-OC(=O)CCCOc1ccc(cc1C)Cl,NA
-OCCOCC,FP
-O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,NA
-[O-][N+](=O)c1ccc2c(c1)nc[nH]2,NA
-O=Cc1ccccc1[N+](=O)[O-],NA
-Oc1ccc(cc1)C(=O)O,NA
-C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,NA
-OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,NA
-C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,NA
-ClC=C(Cl)Cl,NA
-N#Cc1cccc2c1cccc2[N+](=O)[O-],NA
-O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,NA
-OCC[N+](C)(C)C,NA
-OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCC(COc1cccc2c1cccc2)O,NA
-Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,NA
-O=CC=C(C)C,NA
-O=CC=C(Cl)Cl,NA
-c1ccc(cc1)c1ccc(cc1)CC1CO1,NA
-CCCCCCCCCCCCCCCC[C@H]1CO1,NA
-OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,NA
-CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,NA
-Nc1ccc(c(c1)C(=O)O)O,NA
-c1ccc(cc1)N(c1ccccc1)c1ccccc1,NA
-OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(CCC(C(C)C)O)C)C)/C1,NA
-Oc1cc(Cl)c(cc1Cl)O,NA
-CCC(CO)(CO)CO,NA
-CC(OC(=O)Cc1ccccc1)C,NA
-CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,NA
-ClC([N+](=O)[O-])Cl,NA
-CCOC(=O)c1ccccc1N,NA
-ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,NA
-COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,NA
-CC(=O)Nc1ccccc1C,NA
-COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,NA
-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,NA
-O=c1[nH]c(=O)n(cc1F)C1CCCO1,FP
-N1CC1,NA
-CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,NA
-Cc1cnc2c(n1)c1ncn(c1cc2)C,NA
-OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,NA
-c1ccc2c(c1)oc1c2cccc1,NA
-ClC(=O)c1ccc(cc1)C,NA
-C1CCCN1,NA
-CC(=O)Nc1ccc(cc1)c1ccccc1,NA
-CC1(OC1)c1ccccc1,NA
-N#N=Nc1nc2c(n1C)ccc1c2cccc1,NA
-NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,NA
-O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,NA
-COc1nsc2c1cccc2N,NA
-CC(=O)OCN=[N+](C)[O-],NA
-OC(COc1cccc2c1cccc2)CNC(=O)C,NA
-Nc1cc2cccc3c2c2c1cccc2cc3,NA
-CCCCCON=O,NA
-CCCCOC(=O)CCC,NA
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-[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],NA
-OCC(CBr)(Br)C,NA
-C[N+](CC1OC1)(C)C,NA
-O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,TP
-CN1CCOCC1,NA
-Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,NA
-O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,TP
-O=C1C=CC(=O)N1,NA
-ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,NA
-N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,NA
-Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,NA
-ClCC(=O)CCl,NA
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-CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,NA
-[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],NA
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-Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,FP
-Oc1cc(O)cc(c1)O,NA
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-C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,NA
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-CC(C(=O)N(Cc1ccccc1)C)Br,FP
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-[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-CC(=O)N(c1ccccc1C)O,NA
-OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,NA
-N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],NA
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-n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,NA
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-Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,NA
-Nc1ccc2c(c1)c(Cl)ns2,NA
-OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,NA
-O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,NA
-OCC12OOC2(CO)Oc2c1cccc2,NA
-CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-O=C1c2ccccc2C(=O)c2c1cccc2,NA
-OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,NA
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-OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,NA
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-C[C@H](CBr)O,NA
-OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1cccc(c1)[N+](=O)[O-],NA
-COc1nc2c(CBr)cccc2nc1OC,NA
-CCCN(CCCCO)N=O,NA
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-OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,FP
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-COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,NA
-ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,NA
-CN=C=O,NA
-OC(=O)CI,TP
-Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,NA
-CCCC,NA
-CNc1ccc2c(c1C)ncc(n2)C,NA
-C1CC23C(C1)(O3)C=CC=C2,NA
-[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,NA
-OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,NA
-Brc1ccc(cc1)c1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)snc2Cl,NA
-CN[C@H](Cc1ccccc1)C,NA
-Cc1ccc(cc1)[N+](=O)[O-],NA
-CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,NA
-COc1cc(N)c(cc1N)[N+](=O)[O-],NA
-Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,NA
-CC(C#N)O,NA
-C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,NA
-OC1C(O)c2cccc3c2c2c1cccc2cc3,NA
-NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,NA
-BrCCOC(=O)C(C(C(=O)OCCBr)O)O,NA
-OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,NA
-c1cnc2c(c1)c1c(cc2)CCC2C1O2,NA
-BrC(=C)C(=O)C,NA
-S(Cc1ccccc1)Cc1ccccc1,NA
-Fc1cnc2c(c1)cc(c1c2cccc1)F,NA
-O=C/C=C/C(O)C,NA
-Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,NA
-Oc1cccc2c1c1ccc3c(c1cc2)cccc3,NA
-ClCCN([P@]1(=O)NCCCO1)CCCl,NA
-CC/C=C/C=C/C=C/C=C/C=O,NA
-COc1ccccc1N,NA
-C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],NA
-Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,NA
-CCC1(C)CO1,NA
-CCC(=C)C=O,NA
-Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,NA
-O=C(c1ccccc1N)OC/C=C/c1ccccc1,FP
-Cc1ccc2c(n1)cccc2,NA
-ClC(Br)Br,NA
-Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],NA
-CC1(OC1)c1ccc(cc1)Br,NA
-Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,FP
-CC(NC(C)C)C,NA
-NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,NA
-C/C(=C/C)/C#N,NA
-Cc1ccc(cc1)Cc1ccccc1,NA
-O=NN(Cc1cccc(c1)Br)C,NA
-CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,NA
-CCC[C@H]([C@H](CO)CC)O,NA
-CNC(=O)N(c1ccccc1)c1ccccc1,NA
-C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,NA
-Clc1ccccc1,NA
-COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,NA
-[O-][N+](=O)c1c(C)cccc1C,FP
-ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,NA
-Nc1ccc(cc1C)NOS(=O)(=O)O,NA
-OCC1OC(C(C1O)O)n1ccc(nc1=O)N,NA
-CC(COS(=O)(=O)c1ccc(cc1)C)C,NA
-CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,NA
-Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,NA
-BrCc1ccccc1CBr,NA
-COC(=O)c1ccccc1O,NA
-BrCCCCBr,NA
-c1ccc(cc1)Cn1cncc1,NA
-CCC12OC2O1,NA
-OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,NA
-OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O,NA
-[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,TP
-CC1CCc2c(C1)occ2C,NA
-CN(C1Cc2cccc3c2c(C1)ccc3)C,NA
-COCCOCCOP1(OCCOCCOC)NP(OCCOCCOC)(OCCOCCOC)NP(N1)(OCCOCCOC)OCCOCCOC,NA
-O=Nc1c(CC)cccc1CC,NA
-O=C(c1ccccc1O)Oc1ccccc1,NA
-COc1ccc2c(c1)C1CCCCC1C1C2O1,FP
-O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,TP
-Nc1ccc2c(c1)cc1c(n2)cccc1,NA
-[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,TP
-Fc1cccc2c1nccc2,NA
-OC1CC=Cc2c1nccc2,NA
-Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],NA
-O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,FP
-ON(c1ccccc1)C(=O)C,NA
-Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,NA
-COc1ccc2c(c1)nc(n2C)N,NA
-CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,NA
-c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,NA
-O=C1c2ccccc2-c2c1ccc1c2cccc1,NA
-CCCCCCCCCCC,NA
-OCC1OC(CC1O)n1cc(I)c(nc1=O)N,NA
-COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,NA
-OCC1CC(C(O1)n1cnc2c1ncnc2N)O,NA
-O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,NA
-OC[C@@H](CCl)Cl,NA
-CCOC(=O)OC(=O)OCC,NA
-NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,NA
-N#N=NC(c1ccccc1)c1ccccc1,NA
-Cc1cncc(n1)C,NA
-CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,NA
-FC[C@H]1CO1,NA
-OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,NA
-CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,NA
-Fc1cccc2c1ccc1c2cccn1,NA
-CCCc1cc(O)nc(n1)S,NA
-[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,NA
-Cc1ccc(c(c1O)C)C,NA
-COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,NA
-ClCC1=C(Cl)C(=O)OC1,NA
-Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,NA
-NC(=O)c1cccnc1,NA
-O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,NA
-CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,NA
-CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,NA
-CCCCCCCCBr,NA
-CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,NA
-CCOO,NA
-Cc1ccc2c(c1)cccc2C,NA
-O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,NA
-CC(C(C)(C)C)OP(=O)(F)C,NA
-CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,NA
-O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,NA
-[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,NA
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,TP
-FC(C(F)(F)F)(Cl)F,NA
-Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,NA
-O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,NA
-ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,NA
-C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,NA
-[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,NA
-COc1c2oc(=O)ccc2cc2c1occ2,NA
-SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,NA
-Clc1ccc(c(c1Cl)O)Cl,NA
-OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,NA
-O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,NA
-Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,NA
-c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,NA
-CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,NA
-CCP(=O)(OCC)OCC,NA
-CC(c1ccc(cc1)O)(CC(C)(C)C)C,NA
-Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,NA
-Cc1cc(N)c(cc1C)C,NA
-Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,NA
-CCCCCCCC[C@H]1CO1,NA
-O=S1(=O)CCCC1,NA
-CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,NA
-CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
-CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,NA
-C1CCC2C(C1)c1ccccc1C1C2O1,FP
-COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,TP
-Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,NA
-Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,NA
-CN=NO,NA
-[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],NA
-Nc1ccc(cc1)Cc1ccc(cc1)N,NA
-NCCCCCCN,NA
-O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-NC(=S)NCC=C,NA
-Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,NA
-CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,NA
-CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
-CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,NA
-OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,NA
-O=Nc1c(C)n(n(c1=O)c1ccccc1)C,NA
-O=C(C1=C(C)OCCS1)Nc1ccccc1,NA
-Nc1cccc(c1C)N,NA
-[N-]=[N+]=NCC(C(=O)O)(N)C,NA
-Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,NA
-COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,NA
-O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,NA
-OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,NA
-[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,NA
-O=NN(COC(=O)C)C,NA
-COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],NA
-OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,NA
-O=C(c1cccc2c1nccc2)OCc1ccccc1,NA
-CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,TP
-C1=C[C@@H]2[C@H](C=C1)O2,NA
-OC(=O)C(CC(=O)c1ccccc1N)N,NA
-Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,NA
-c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,TP
-Nc1ccc2c(c1)cccc2,NA
-ONc1ccc2c(c1)cccc2,NA
-BrC(C1=C(Cl)C(=O)OC1)Br,NA
-COC(=O)c1ccc(cc1)O,NA
-Cc1ccc(cc1)N(C(=O)C)O,NA
-CCCCNCCCC,NA
-OCCN(C(=O)OCC)N=O,NA
-CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,NA
-Oc1ccc2c(c1)cccc2,NA
-Brc1c(Br)c(Br)c(c(c1Br)Br)Br,NA
-CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,NA
-OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,NA
-CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,TN
-Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,NA
-Oc1ccc2c(c1)nccc2,NA
-OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,NA
-CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,NA
-O=c1c2cccc3c2c2c(c1=O)cccc2cc3,NA
-O=NN(CC(=O)C)C,NA
-Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,NA
-[N-]=[N+]=NCCc1ccccc1,NA
-Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],NA
-CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,NA
-Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,NA
-OCCOc1cc(Cl)c(cc1Cl)Cl,NA
-O1CC1,NA
-O=NN(Cc1ccc(cc1)Cl)C,NA
-COP(=S)(OC)OC,NA
-CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,NA
-O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,NA
-O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,NA
-Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],NA
-COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-CC(c1cccc(c1O)C(C)(C)C)(C)C,NA
-COc1ccc(ccc1=O)[N+](=O)[O-],NA
-C[C@@H]1O[C@H]1c1ccccc1,NA
-c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,NA
-CC(Cc1ccc(cc1)C(=O)C)C,NA
-CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,NA
-Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,NA
-Nc1ccc2-c3c(Cc2c1)cc(cc3)N,NA
-CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,NA
-CCC(=O)N(c1ccc(cc1)c1ccccc1)O,TP
-COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
-Nc1cnc2c(c1)c1ccccc1cc2,NA
-CNc1ccc(cc1)O,NA
-C/C=C\C=C/C=O,NA
-O=C1C=Cc2c(C1=O)cccc2,NA
-OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,NA
-CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,NA
-S=c1scc(s1)c1ccccc1,NA
-c1ccccc1,NA
-CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,FP
-Clc1cc(O)c(c(c1)Cl)Cl,NA
-O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,NA
-CSc1ccc(cc1C)OP(=S)(OC)OC,NA
-C=CCOC(=O)c1ccccc1N,NA
-COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O,NA
-C=C[C@H]1CCC=CC1,NA
-C1CCC2C(C1)c1ccccc1C=C2,NA
-Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,NA
-NC(=O)CN1C[C@@H](CC1=O)O,NA
-OC(=O)CCCC(=O)O,NA
-C=CCc1ccc(c(c1)OC)O,NA
-Clc1cc2c(c3c1cccc3)ccc1c2cccc1,NA
-CC(C=O)CC,NA
-CCOP(=S)(SCSC(C)(C)C)OCC,NA
-Cc1ccc(cc1C)S(=O)(=O)O,FP
-CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,NA
-C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,NA
-Oc1ccccc1O,NA
-Cl/C=C/CSCC(C(=O)O)N,NA
-CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,NA
-Brc1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,NA
-O1CC1COc1ccc(cc1)Cc1ccccc1,NA
-O=NN1CCC=CC1,NA
-O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,TP
-O=N#Cc1cc(C)cc(c1)C#N=O,NA
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,NA
-ClCc1c2ccccc2c(c2c1cccc2)Cl,NA
-O=NN(C(=O)N)CCC[C@H](C(=O)O)N,NA
-O=CN(c1cccc(c1)Cl)O,NA
-C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,NA
-CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,NA
-CCCCN(CC(c1ccc(cc1)O)O)N=O,NA
-CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,NA
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,NA
-CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,NA
-COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,NA
-Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,NA
-CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,NA
-CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,NA
-Nc1c2CCCCc2nc2c1cccc2,NA
-C[n+]1cccc(c1)C(=O)O,NA
-[O-][N+](=O)c1ccccc1c1ccccc1,NA
-C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,NA
-OCC1OC(CC1O)n1c(O)nc2c1nc(N)nc2O,NA
-N#Cc1cccc2c1nccc2,NA
-O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-ClC(C(=O)C(Cl)(Cl)Cl)Cl,NA
-O=NN(C(=O)N)CCC(=O)O,NA
-OCc1ccc(cc1)OC,NA
-Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,NA
-Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,FP
-Sc1ccc(cc1)[N+](=O)[O-],NA
-N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,NA
-COc1ccc(cc1N)[N+](=O)[O-],NA
-O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,NA
-BrC(=C)C(=O)O,NA
-CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,NA
-Nc1cc(N)c(cc1N=Nc1cccnc1)C,NA
-CCCCOP(=O)(Oc1ccccc1)OCCCC,NA
-OCCC(C)C,NA
-Nc1ccc(cc1)N=Nc1ccccc1,NA
-OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,NA
-Nc1nc(N)c2c(n1)nc[nH]2,NA
-N#Cc1ccccc1[N+](=O)[O-],NA
-OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,NA
-OC(=O)/C=C/c1ccccc1[N+](=O)[O-],NA
-Nc1ccc(c2c1cccc2)S(=O)(=O)O,NA
-CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,NA
-CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,NA
-CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,NA
-C/C=C(/C=O)\Cl,NA
-OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,NA
-OC(=O)CCC(=O)CC(=O)C,NA
-ClC(C1=C(Cl)C(=O)OC1)Cl,NA
-O=C(C(=C)C)OCCCCOC(=O)C(=C)C,NA
-CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,NA
-CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,NA
-NCCNCCN,NA
-COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,NA
-N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,NA
-c1ccc2c(c1)[nH]nn2,NA
-CC(=O)/C=C\c1ccc2c(c1)OCO2,FP
-O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,NA
-Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,NA
-Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,NA
-O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,NA
-COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,TP
-C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,NA
-OCCc1ccccc1,NA
-CCC=O,NA
-O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,NA
-OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,NA
-ClCC[N+](C)(C)C,FP
-COC(=O)c1ccccc1NC,NA
-CCOc1cccc(c1)[N+](=O)[O-],NA
-FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,NA
-CC(COC(=O)C(=C)C)O,NA
-ONc1ccc2c(n1)n1cccc(c1n2)C,NA
-COc1cc(C=O)c(cc1OC)OC,NA
-COc1nsc2c1cccc2OCC1CO1,NA
-Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,NA
-OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,NA
-Cc1cscc1,FP
-CN(C#N)C,NA
-CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,FP
-COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,NA
-CCOC1=CC(=O)C(=CC1=O)NC(=O)C,NA
-BrC(C(Br)(Br)Br)Br,NA
-CNC(=O)Nc1ccccc1,NA
-Cc1cc(C)c(c(c1N)C)N,NA
-CCNc1nc(NC(C)C)nc(n1)O,NA
-C[C@H](CCl)O,FN
-Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,NA
-[O-][N+](=O)CCO,NA
-COc1ccc(c(c1)O)C(=O)c1ccccc1,NA
-OC(=O)c1ccccc1C(=O)O,NA
-CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,TP
-Nc1sc2c(-c3cccnc3CC2(C)C)n1,NA
-CCCC[C@H](COC(=O)C=C)CC,FP
-Oc1ccccc1/C=N/c1snc2c1cccc2,NA
-CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,TP
-Oc1cccc(c1)Nc1ccccc1,NA
-CCN(C(=S)SCC(=C)Cl)CC,NA
-Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,NA
-CCN(C#N)N=O,NA
-OCOC(C)(C)C,NA
-BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,NA
-CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,NA
-CCCCCCCC(=O)O,NA
-Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,NA
-CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,NA
-[O-][N+](=O)c1c(N)cccc1O,NA
-c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,NA
-OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,NA
-c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,NA
-O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,NA
-O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,TP
-OC1C2OC2c2c(C1O)c1cccnc1cc2,NA
-CN(c1ccc(cc1)N(C)C)C,NA
-CCCN(c1snc2c1cccc2)C(=O)CCCl,NA
-ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,NA
-[O-][N+](=O)c1cnc(s1)N,NA
-[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,NA
-CCCCCCCCCCCCCCCCCCN,NA
-[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,NA
-c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,NA
-Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,NA
-CCCCCCC=O,NA
-COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,NA
-ClC(Br)(Cl)Cl,NA
-CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,NA
-Oc1nc2c(C)cccc2nc1O,NA
-[O-][N+](=O)c1cccc2c1nc1ccccc1n2,NA
-[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-O=NN(Cc1ccc(cc1)Br)C,NA
-CNc1ncnc(c1)Oc1ccc(cc1)N,NA
-CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,NA
-CC(=O)Nc1ccc(cc1)Oc1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],NA
-COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,NA
-CC(=O)ON(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)C(=O)C,NA
-CCCCCCCCCCCCCCCC(=O)O,NA
-OC(=O)Cc1ccc(cc1)NC(=O)C,NA
-COc1ccccc1O,NA
-Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,NA
-COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,NA
-O=C1CCCCCCCCCCCCCCO1,NA
-OC[C@@H]1O[C@H](CN=[N+](C)[O-])[C@H]([C@@H]([C@H]1O)O)O,NA
-ClCC=C,NA
-NC(C(=O)O)CSC(C(F)F)(F)F,NA
-C/C=C/c1cccc(c1OC)OC,NA
-[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],NA
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,NA
-NC(=O)c1ccccc1,NA
-CCCCN(CCCC)CCCC,NA
-Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,TP
-c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,NA
-CN(CCNC(=O)c1cccc2c1nc1ccccc1n2)C,NA
-ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,NA
-Oc1ccc2c(c1)nc([nH]2)N,NA
-CCC/C=C(\C=O)/CC,NA
-Nc1cccc(n1)N,NA
-Cc1cc(ccc1N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1cc(c2c(c1N)cccc2)S(=O)(=O)O,NA
-[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,NA
-C/C(=C\C=O)/Cl,NA
-CC(=O)NCc1onc(n1)c1ccc(o1)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],NA
-Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,NA
-[O-][N+](=O)c1cccc2c1n[nH]c2,NA
-ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,NA
-[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,TP
-CCCCCN,NA
-CC/C=C/1\OC(=O)c2c1cccc2,NA
-CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,NA
-COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,NA
-CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,NA
-O=C1C=CC(=N#N)C=C1,NA
-OC(=O)c1ccc(c(c1)C)[N+](=O)[O-],NA
-C=CCOC[C@H]1CO1,NA
-CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,NA
-CCCCOCC(=O)O,NA
-CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,NA
-COc1ccc2c(c1)C1CCCCC1C=C2,NA
-Cc1ccccc1C,NA
-Clc1ccc(c(c1)Cl)Cn1nc(c2c1cccc2)C(=O)O,NA
-CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,TN
-CC(=O)C(=C)C,NA
-CCOc1ccc(cc1)NC(=O)C[C@H](O)C,NA
-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,NA
-ICC[C@@H]1OC[C@H](O1)CO,NA
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,NA
-CC(CCOC(=O)CC(C)C)C,NA
-ClCc1ccncc1,NA
-COc1c2C(=O)c3ccccc3C(=O)c2cc(c1CO)O,NA
-Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,NA
-OC(=O)COc1cc(Cl)c(cc1Cl)Cl,NA
-ClC([N+](=O)[O-])(Cl)Cl,NA
-Brc1ccc2c(c1)C1OC1C1C2CCCC1,NA
-CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,NA
-O=Cc1ccc(o1)[N+](=O)[O-],NA
-OCc1cccc(c1)[N+](=O)[O-],NA
-Oc1ccc(c(c1)C)C,NA
-O=CC1=CCCC2(C1(C=O)C2)C,NA
-CSc1ccc(cc1)Cl,NA
-ONc1ccc(cc1)C(=O)C,TP
-OC(=O)c1cc(O)c(c(c1)O)O,NA
-C=CCN1C2C1c1ccccc1-c1c2cccc1,TP
-Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,NA
-CCC(COC(=O)CCCCC(=O)O)CCC(O)C,NA
-[O-][N+](=O)c1ccc(c(c1)N)N,NA
-OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,NA
-Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,NA
-Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,NA
-OCCCCCCCCCCCCCCCCCC(=O)O,NA
-OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,NA
-CN(c1ccc(cc1)c1ccc(cc1)N(C)C)C,NA
-O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,NA
-COc1c(O)c2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,NA
-Fc1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,NA
-N#CC(N=NC(C#N)(C)C)(C)C,NA
-C=CC(=O)NCCC[N+](C)(C)C,NA
-OC(=O)C[N+](C)(C)C,NA
-OCCNCCO,NA
-Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,FP
-Nc1cc([N+](=O)[O-])c(cc1Cl)N,NA
-COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,NA
-O=C1OCCN1/N=C/c1ccc(o1)[N+](=O)[O-],TP
-Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,NA
-CCCCOCC=O,NA
-CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,NA
-CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,NA
-CCCCOC(=O)c1ccc(cc1)O,NA
-OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],NA
-O/N=C(/c1ccccc1)\N,NA
-Clc1cc(N)c(c(c1)C(=O)O)Cl,NA
-CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,NA
-CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,NA
-Nc1ccc(cc1)N=Nc1cccc(c1N)N,NA
-CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@@H]2O)C[C@](C(=O)O)(O)C,NA
-OC(=O)C(Oc1ccc(cc1)[C@@H]1CC1(Cl)Cl)(C)C,NA
-O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,NA
-CC(COC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-Oc1cnnc(n1)O,NA
-C=Cc1ccccc1C=C,NA
-Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,NA
-O=C(C(=C)C)OCCOC(=O)C(=C)C,NA
-CCCCCCCCCCCC(=O)O,NA
-Nc1ccc(cc1)c1ccccc1C,NA
-OC(=O)C(Br)(Br)Br,NA
-CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O,NA
-Ic1cc2cccnc2c(c1)C(=O)O,NA
-ClC([C@H]1OC1)(Cl)Cl,NA
-O=S(=O)(N1C2C1c1ccccc1-c1c2cccc1)Cc1ccccc1,NA
-OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,NA
-OCc1c(CO)cnc(c1O)C,FP
-CC(CCOS(=O)(=O)C)C,NA
-BrC(c1ccccc1)C(=O)NCc1ccccc1,NA
-ClC(=O)c1c(Cl)cccc1Cl,NA
-O=C1C=C(N)c2c(C1=O)cccc2,NA
-Cc1cc2ccccc2c(c1)[N+](=O)[O-],NA
-COS(=O)(=O)F,NA
-Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,NA
-OCC1OC(C(C1O)O)n1cnc2c1ncnc2N,NA
-ClCC(Cl)(Cl)Cl,NA
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],NA
-CC(=C)C=O,NA
-c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,NA
-Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,NA
-Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,NA
-CC[C@H](c1ccccc1O)C,FP
-c1ccc(cc1)Cc1ccccc1OCC1CO1,NA
-CC[n+]1c2ccccc2nc2c1cccc2,NA
-O=CC1=C2C=C(C)OC=C2[C@H]([C@@](C1=O)(C)O)O,NA
-Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,NA
-[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],TP
-CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,NA
-Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)Cl,NA
-OCC(C(C(C(C1SCC(N1N=O)C(=O)O)O)O)O)O,NA
-CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,NA
-[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,NA
-Clc1cccc(c1NC1=NCCN1)Cl,NA
-N#CCCC#N,NA
-OC(=O)CN=N#N,NA
-C=COCC(F)(F)F,NA
-[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,FP
-OC(=O)C[C@@H](C(=O)O)Cl,NA
-Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,FP
-Clc1ccccn1,NA
-OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,NA
-COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,NA
-C[C@H](OC(=O)C)CN(C[C@@H](OC(=O)C)C)N=O,NA
-Oc1cc2ccc3c4c2c(n1)ccc4ccc3,NA
-[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],NA
-C[Si](N[Si](C)(C)C)(C)C,NA
-Cc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,NA
-ClCc1cnc(nc1Cl)Cl,TP
-COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-Oc1ccc(c2c1C(=O)c1ccccc1C2=O)N,NA
-c1ccc(cc1)c1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],NA
-OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,NA
-CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,TP
-N1CCNCC1,NA
-O=C1C=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,NA
-Cc1ccc2c(c1)cccc2[N+](=O)[O-],NA
-O1CCOCCOCCOCCOCC1,NA
-C=CCc1ccccc1OCC(CNC(C)C)O,NA
-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,NA
-CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,NA
-OC/C=C(/CCC=C(C)C)\C,NA
-Clc1ccc(c(c1)[N+](=O)[O-])Cl,NA
-Nc1cccc2c1-c1ccccc1C2,NA
-OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C,NA
-OCCCNP(=O)(N(CCCl)CCCl)O,NA
-OCC(Cl)(Cl)Cl,NA
-CCCCNc1snc2c1cccc2,NA
-O=CNc1ccccc1,NA
-CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,NA
-CC(C1=CC(=O)C(=CC1=O)C)C,NA
-OC1OC(=O)C(=C1Cl)Cl,NA
-Fc1ccc2c(c1)cccn2,NA
-C=Cc1ccc(cc1)[N+](=O)[O-],NA
-COC(=O)c1occ(c1c1ccccc1)c1ccccc1,NA
-CN=[N+](C)[O-],NA
-CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],NA
-CCC(c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-])C,NA
-CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,NA
-O1C2C1c1cscc1-c1c2csc1,NA
-CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,NA
-OC1C=Cc2c(C1O)ccc1c2nccc1,NA
-c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,NA
-Oc1cccc2c1C(=O)c1c(C2)cccc1O,NA
-Nc1cccc2c1c(N)ccc2,NA
-CC(=O)c1cccn1[N+](=O)[O-],NA
-SCc1ccccc1,NA
-Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],NA
-Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,NA
-CC(=O)Nc1ccc(cc1)C,TP
-Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,NA
-Br/C=C/c1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,NA
-N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,NA
-COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,NA
-C=CC(=O)OC(C)(C)C,NA
-Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,NA
-CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,TP
-BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,TP
-CCc1nc2c(nc1CC)ccc(c2C)NC,NA
-O=C(C(Br)(C)C)NCc1ccccc1,NA
-COP(=O)OC,NA
-NC(=O)NO,NA
-CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,FP
-[O-][N+](=O)c1n(C)cnc1c1ccccc1,NA
-CNc1ccc2c(c1)c1cc(O)ccc1cc2,NA
-BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],NA
-CCN(c1ccc2c(c1)oc(=O)cc2C)CC,NA
-Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,NA
-Oc1cc(Cl)cc(c1)Cl,NA
-ClCc1c2ccccc2cc2c1cccc2,NA
-CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,NA
-CCCCBr,NA
-Cc1cc(C)c(cc1C)C,NA
-Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,NA
-CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-COc1ccc(cc1)[Se]c1ccc(cc1)OC,NA
-c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,NA
-O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-CCOC(=O)COc1ccc2c(c1)oc(cc2=O)c1ccccc1,NA
-Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,NA
-c1cccs1,NA
-CC(F)(F)F,NA
-CCCCOB(OCCCC)OCCCC,NA
-O=C1CCCCCCCCCCCC(=O)OCCO1,NA
-[O-][N+](=O)NC(=N)N(N=O)CCC,NA
-OC=O,NA
-OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,NA
-Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,NA
-CBr,NA
-OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,NA
-ClCCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,NA
-CCCC=O,NA
-CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,NA
-Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],NA
-[O-][n+]1ccc(cc1)[N+](=O)[O-],NA
-ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,NA
-n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,NA
-ClNc1ccc2-c3c(Cc2c1)cccc3,NA
-[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,NA
-Cc1ccc(c2c1c1ccccc1[nH]2)C,NA
-Cc1cc2ncccc2c2c1n(C)cn2,NA
-C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,NA
-CC(CNc1snc2c1cccc2)C,NA
-[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,NA
-Nc1ccc2-c3c(Cc2c1)cccc3,NA
-CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,NA
-BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,NA
-[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,NA
-Cc1cc(C)c2c(c1)ccc1c2cccc1,NA
-OC(=O)c1ccc(cc1N)[N+](=O)[O-],NA
-CC(C(O)C)O,NA
-CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,NA
-Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,NA
-[O-][N+]1(C)CCC(=CC1)c1ccccc1,NA
-CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,TP
-COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,NA
-CNc1c(C)cc2c(c1N)cccn2,NA
-COc1nncc2c1cccc2,NA
-CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,NA
-Clc1ccc(c(c1)C(=O)O)O,NA
-O=NN1C[C@H](C)C(=O)NC1=O,NA
-ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,NA
-CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,NA
-COc1ccc(cc1)[N+](=O)[O-],NA
-c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,NA
-O=C1CCCc2c1ccc1c2ccc2c1cccc2,NA
-Nc1cccc(c1)N,FN
-O=NN1CCN(CC1)N=O,TP
-C[N+](Cc1ccccc1)(C)C,NA
-O=C=Nc1cccc2c1cccc2N=C=O,NA
-CCCCCCCCCCCCS,NA
-COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,NA
-S1CCSCC1,NA
-O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,NA
-CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,NA
-Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,FN
-O=CC(Cl)(Cl)Cl,NA
-CCCCCC/C=C\CCCCCCOC(=O)C,NA
-Oc1ccc2c(c1)cccc2S(=O)(=O)O,NA
-CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,NA
-CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,FP
-CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,NA
-Nc1ccc2c(c1)cccn2,NA
-OC(=S)c1ccccc1,NA
-CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC,NA
-COC(CCOC(=O)C)C,NA
-OCC(C(C(C(C(=O)O)O)O)O)O,NA
-CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,NA
-OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],TP
-O=c1[nH]c(=O)[nH]c(=O)[nH]1,NA
-Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,NA
-CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,NA
-O=NN1CCC[C@@H](C1)O,NA
-ClCC(=O)c1ccc(cc1Cl)Cl,NA
-[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,NA
-[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,NA
-Nc1ccc2c3c1-c1ccccc1-c3ccc2,NA
-CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,NA
-BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,NA
-O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,NA
-O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,NA
-ON1c2ccccc2C(=O)C1(C)c1ccccc1,NA
-c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,FN
-COc1cc(OC)c2c(c1)OC1C2C=CO1,NA
-BrCC(Br)(Br)Br,NA
-C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,TP
-CNN=NC,NA
-N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,NA
-COC(=O)C1=C(C)N=C(C(=C(OCCc2ccc(cc2)N2CCN(CC2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])C,NA
-OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,NA
-O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,NA
-Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,NA
-CN(C(=S)N(C)C)C,NA
-CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,NA
-C=C=O,NA
-OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],NA
-C=Cc1ccccc1Cl,NA
-BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,NA
-ClCCc1cn(C2CC(C(O2)CO)O)c(=O)nc1N,NA
-NC(=S(=O)=O)N,NA
-Fc1cnc2c(c1)ccc1c2cc(F)cn1,NA
-O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,NA
-OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,FP
-Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],FN
-O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,NA
-OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,NA
-O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,NA
-Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-Fc1cnc2c(c1)cccc2,NA
-[O-][N+](=O)c1c(C)cccc1C(=O)O,NA
-O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,NA
-CCOP(=S)(OP(=S)(OCC)OCC)OCC,NA
-O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,NA
-O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,NA
-CC(CN(CC(C)C)CC(C)C)C,NA
-[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,NA
-BrCc1ccc(cc1)Br,NA
-O=Cc1c(Cl)cccc1Cl,NA
-CNc1nc2c(n1C)ccc1c2cccn1,NA
-ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,NA
-NCCN,NA
-Nc1sc2c(n1)C1CCCNC1CC2,NA
-O[C@@H]([C@@H](C(=O)O)O)C(=O)O,NA
-OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,NA
-c1scc(n1)c1nc2c([nH]1)cccc2,NA
-c1scc(n1)c1nc2c([nH]1)cccc2,NA
-CCCCOc1ccc(cc1)CC(=O)NO,NA
-[O-][N+](=O)c1nc2c([nH]1)cccc2,NA
-Nc1ccc2c(n1)n1cccc(c1n2)C,NA
-Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,NA
-[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],NA
-NC(=O)c1cccc(c1)[N+](=O)[O-],NA
-Cc1ccc2c(c1)ccc(=O)o2,NA
-OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,NA
-ONc1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,TP
-ONc1ccc(cc1)C,NA
-COc1ccccc1[N+](=O)[O-],TP
-Oc1nncc2c1cccc2,NA
-Cc1cc(C)c(c(c1)C)N,NA
-CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,FP
-[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,NA
-O=C1COC(=C1O)C,NA
-[O-][N+](=O)[C@@H](CC)Cl,TP
-COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,NA
-[O-][N+](=O)c1ccc(o1)CNCCO,NA
-COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,NA
-Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,FP
-COc1cc(CCC(=O)C)ccc1O,NA
-CN[C@@H]([C@H](c1ccccc1)O)C,NA
-NCCc1ccc(c(c1)O)O,NA
-CCCC/C=C/C=O,NA
-COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,NA
-CC1=CC(O)C2CC1C2(C)C,NA
-ICCc1ccc(cc1)OCc1ccccc1,NA
-CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,NA
-O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],NA
-C=CC(=O)N1CCN(CC1)c1ccccc1,NA
-CC(=O)c1ccc(s1)[N+](=O)[O-],NA
-n1ccncc1,NA
-CC1c2ccccc2-c2c1cccc2,NA
-CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,NA
-COC=C,NA
-OC1C(OC(C(C1O)O)COC1OCC(C(C1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
-ClC(C(=O)O)Cl,NA
-O=C1c2ccccc2-c2c3c1cccc3ccc2,NA
-BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,NA
-CCOCN(c1c(C)cccc1CC)C(=O)CCl,NA
-[O-][N+](=O)c1ccccc1S(=O)(=O)O,NA
-CCCCCCC(=O)OCC,NA
-CC(OC(Cl)(C)C)(Cl)C,NA
-CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],NA
+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,TP
+COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,NA
+O=Cc1ccccc1C,TN
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,TP
+ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
+OC(=O)c1ccccc1,TN
+Nc1scc(n1)c1scc(c1)[N+](=O)[O-],TP
+CCc1ccccc1O,TN
+CCCCCCCCC=O,TN
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,FP
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,TN
+Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,TN
Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
-O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],NA
-CC(=C)C(=O)OC[C@H]1CO1,NA
-Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,NA
-[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,TP
-COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,NA
-Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,NA
-ClCC(=O)c1ccc(cc1)NC(=O)C,NA
-OCNC(=O)CCl,NA
-ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,NA
-O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,NA
-COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,NA
-c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,NA
-OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,NA
-OCCI,NA
-C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,NA
-Clc1ccc(cc1)S(=O)O,NA
-O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,NA
-Oc1ccccc1c1nc2c(o1)cccc2,NA
-ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,NA
-O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,NA
-ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,NA
-[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,NA
-CCCCN(CCC(=O)O)N=O,NA
-Clc1ccc2c(c1)oc1c2cccc1,NA
-COc1cc(OC)c(cc1C1OC1C)OC,NA
-NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-COc1c2OCOc2cc2c1nc1occc1c2OC,TP
-Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,NA
-OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,NA
-[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,NA
-CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,NA
-CCCCCCCCCC(=O)O,FP
-NC(C(=O)O)CSC(C(Cl)F)(F)F,NA
-COc1c2ccc(=O)oc2c(c2c1cco2)OC,NA
-CNC(=O)Oc1cccc2c1OC(C2)(C)C,NA
-NC(C(=O)OC(C)(C)C)CN=N#N,NA
-CCCCOC(=O)COc1ccc(cc1Cl)Cl,NA
-Nc1ccc(c(c1Cl)Cl)Cl,NA
-Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,NA
-C/C=C\C=C,NA
-Clc1cccc2c1nccc2,NA
-OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,NA
-CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,NA
-CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,NA
-O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,NA
-[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,NA
-Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,NA
-CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,NA
-Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,NA
-Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,NA
-O=C/C(=C(/C(=O)O)\Br)/Br,NA
-O=C1CSC(=S)N1,NA
-N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,NA
-BrCC=C,TP
-CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,NA
-[O-][N+](=O)c1ccc(o1)c1cscn1,NA
-NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],NA
-O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,NA
-Clc1ccc(c(c1)Cl)Cl,NA
-N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,FP
-O=NN(Cc1cccc(c1)OC)C,NA
-[C-]#[O+],NA
-CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,NA
-Cc1cc(C)cc(c1)N,NA
-Oc1c(Cl)cc(c(c1Cl)Cl)Cl,NA
-CC(=O)Oc1cccc2c1nccc2,NA
-Fc1cc(F)c2c(c1)nccc2,NA
-CCCCCCCCCCOC(=O)C(=C)C,NA
-O=C(c1ccccc1)C(=O)C,NA
-Cc1ccc2c(c1)c(C)c1c(c2)cccc1,NA
-OCC1OC(CC1O)n1cnc2c1ncnc2N,NA
-CC(S)C,NA
-Clc1cccc2c1cc1ccccc1c2,NA
-c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,NA
-CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,NA
-Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,NA
-CC(=O)N(c1ccc(c(c1)Cl)Cl)O,NA
-OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,TP
-ClC(c1ccccc1)C(=O)NCc1ccccc1,NA
-O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,NA
-Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,NA
-OCC1OC(CC1O)n1cc(C=O)c(=O)[nH]c1=O,NA
-O1C(C1c1ccccc1)c1ccccc1,NA
-OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,NA
-OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,NA
-Cc1nccc2c1[nH]c1c2cccc1,NA
-O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,NA
-CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,NA
-COc1ccc2c(c1)oc(=O)cc2CBr,NA
-Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,NA
-Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,NA
-c1ccc2c(c1)cccc2,TN
-COc1ccc(cc1)O,NA
-Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,TP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,NA
-C[C@H](CNC[C@H](O)C)O,NA
-c1ccc2c(c1)[nH]cn2,NA
-OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,NA
-COP(=O)(SC)OC,NA
-CCc1ccnc2c1cccc2,NA
-CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,NA
-[O-][N+](=O)[CH-]CCC,NA
-Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,NA
-CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,NA
-OC(=O)/C=C/c1ccc(cc1)N,NA
-ClCc1ccc(cc1)F,NA
-Cc1ccc(c(c1)C)C,NA
-CCOCC(=O)O,NA
-ONc1ccc(cc1)Oc1ccccc1,NA
-NC(C(=O)O)Cc1ccccc1,NA
-Nc1ccc(cc1N)c1ccc(c(c1)N)N,NA
-Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,NA
-COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,NA
-CCCC(=O)OCC,NA
-OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,NA
-[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,NA
-C=CC(=O)OCC(COC(=O)C=C)(C)C,NA
-O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,TP
-Oc1cccc(c1C)O,TN
-Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,NA
-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,NA
-C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,NA
-CC(OS(=O)(=O)c1ccc(cc1)C)C,NA
-Nc1cccc2c1nc1c(N)cccc1n2,TN
-CN(CC[C@H](c1ccccn1)c1ccccc1)C,NA
-Clc1ccc(cc1)[N+](=O)[O-],NA
-CCc1cnccn1,NA
-Nc1scc(n1)c1scc(c1)[N+](=O)[O-],NA
-ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,NA
-O=Cc1ccc(cc1)N,NA
-OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,NA
-Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,NA
-OS(=O)(=O)ONNCCc1ccccc1,NA
-OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-CNc1ccc2c(c1C)nc(cn2)C,NA
-CC(=O)Nc1cccc2c1cccn2,NA
-OC(=O)CC(C(=O)O)O,NA
-OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,NA
-C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,NA
-COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,NA
-CCOc1cccc2c1nccc2,NA
-O=C(c1ccccc1)/C=C/c1ccccc1,FP
-CCOC(=O)CCl,NA
-C#CCOCC[n+]1ccccc1/C=N/O,NA
-O=C1C=C(C)C(=O)C(=C1)C,FP
-ClCCN(CCCl)CCCl,NA
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,NA
-NC(C(=O)O)CN=N#N,NA
-Oc1ccc2c(c1)nc(n2C)N,FP
-CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,NA
-OCCn1c(CO)ncc1[N+](=O)[O-],NA
-OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,NA
-CCN=NC(OO)(C)C,NA
-COC(=O)C,FP
-ClCC(Cl)Cl,FP
-O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,NA
-[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,NA
-CC(=O)NN,NA
-Nc1ccc(c(c1)O)C,NA
-CCCCOC(=O)c1cccc2c1nccc2,NA
-COc1ccc2c(c1)[nH]c1c2ccnc1C,NA
-OCC1OC(OC23CC(C(=O)C3C(C3(C(=C2)C)CC3)(C)O)C)C(C(C1O)O)O,NA
-[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,NA
-[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,NA
+OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,TP
+On1nnc2c1cccc2,TN
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,FP
+CCCCCN,TN
+COCN(c1c(CC)cccc1CC)C(=O)CCl,FN
+ClC(C(=O)C(Cl)Cl)Cl,TP
+[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,TN
+OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,TP
+O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,NA
+NC1CCCCC1,TN
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,TN
+OC1OC(=O)C(=C1Cl)Cl,TP
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,NA
+CC1OC(C)CN(C1)N=O,TP
+Clc1cccc2c1oc1c2cccc1,FP
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,TP
CC(=O)Nc1cc2Cc3c(-c2cc1O)cccc3,FP
-[O-][N+](=O)c1ccc2c(c1)n[nH]c2,NA
-O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,NA
-Cc1cc2ccccc2c(c1)C,NA
-CCCCCCCCCCCC[C@H]1CO1,NA
-Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,NA
-OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,NA
-Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,NA
-OC(=O)c1ccc(c(c1)Cl)Cl,NA
-Cc1ncc2c(n1)CCC2,NA
-CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,NA
-CN(C#N)N=O,NA
-N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,NA
-c1ccc2c(c1)occ2,NA
-CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,NA
-C1N2CN3CN1CN(C2)C3,NA
-[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,NA
-Nc1ccc(cc1)C(=O)N,NA
-Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,FP
-COc1ccc(cc1)C1OC1C,NA
-Nc1ccc(cc1)CCc1ccc(cc1)N,NA
-c1ccc2c(c1)c1ccc3c(c1cc2)cccc3,NA
-[O-][N+](=O)c1cccc2c1csn2,NA
-C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,NA
-Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,NA
-[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,NA
-CC(OC(=O)C)C,NA
-O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],TP
-COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],NA
-OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,NA
-CCN(c1ccc(cc1)N=Nc1cccnc1)CC,NA
-COCCOC(=O)C,NA
-COCCOCO/N=C\1/C(C)CC(C)(O)C(OC2OC(C)CC(C2O)N(C)C)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C(=O)OC(C(C(C1C)O)(C)O)CC)C,NA
-OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,NA
-[O-][N+](=O)c1ccc2c(c1)cccn2,NA
-Fc1cc2cccnc2c2c1nccc2,NA
-CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,TP
-Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],NA
-O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,NA
-CC(=C)C(=O)O,NA
-CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,NA
-Cc1cc(ccc1N=Nc1ccccc1)N(C)C,TP
-Clc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
-CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,NA
-CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,NA
-BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,NA
-OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,NA
-CC(=O)N(c1ccc(cc1)c1ccccc1)O,NA
-O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,NA
-[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,NA
-CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,TP
-CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,NA
-FC(=C(F)F)F,NA
-[O-][N+](=O)[C@@H](CO)C,NA
-CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,NA
-C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,NA
-OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,NA
-COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,NA
-CCCCCCOC[C@H]1CO1,NA
-ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,NA
-OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O,NA
-CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,NA
-CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,NA
-OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],NA
-OC1C(O)C2OC32c2c1cccc2-c1c3cc2c(c1)cccc2,NA
-COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],NA
-C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,NA
-OC1C(OCC(C1O)O)Nc1ccc(cc1)[N+](=O)[O-],NA
-O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],NA
-OC(=O)/C=C/Cl,NA
-O=NN(c1ccccc1)COC(=O)C,NA
-Cn1cccc1,NA
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2S,NA
-[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,NA
-O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-Nc1ccccc1S,NA
-Cc1ccc(c(c1)S(=O)(=O)O)N,NA
-Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,NA
-Cc1cc(O)nc(n1)S,NA
+COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,FN
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],FP
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,TN
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,TP
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,TN
+COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,TP
+ClCc1cccc(c1)[N+](=O)[O-],TP
+Nc1ccccc1c1ccccc1,TP
+CCCCCCCCCCCCCCCCCCCC,TN
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,TP
+CCCCCCCCCCCCCCCCCC(=O)O,TN
+O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],TP
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,TP
+CCCCCC,TN
+CN1CCC(=CC1)c1ccccc1,FP
+CCOC(=O)C1C(C1(C)C)C=C(C)C,TN
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,TP
+CCCCCCCCCCCCC=C,TN
+COc1cccc2c1nc1occc1c2OC,TP
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,TP
+[O-][N+](=O)NC(=N)N(N=O)CCC,TP
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,TN
+OCC12OOC2(CO)Oc2c1cccc2,TN
+c1ccc2c(c1)[nH]cc2,TN
+Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
+Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,TP
+CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,TP
+BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
+COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,TP
+CCC1(C)CO1,TN
+Cc1cccc(c1)/N=N/c1ccc(cc1)N(C)C,TP
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],TN
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,TP
+CCCCC(=O)Nc1snc2c1cc(Cl)cc2,TN
+COc1cc(ccc1O)CC1CO1,TP
+O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],TP
+CCCCCCC1OC1,FP
+Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,TP
+O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,TN
+O=C/C(=C(/C(=O)O)\Cl)/C,TP
+CCS,TN
+OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,NA
+OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,TN
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
+CC1c2ccccc2-c2c1cc(C)c(c2)C,TP
+CCOCC,TN
+Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,FP
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,TP
+COc1ccccc1/N=N/c1c(O)ccc2c1cccc2,TP
+Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,TP
+CCON(C(=O)c1ccccc1)OC(=O)C,TP
+OCC(C(C(C(C=O)O)O)O)O,TN
+Oc1cccc(c1)Cl,TN
+COc1nsc2c1cc(OC[C@H]1CO1)cc2,TP
+CNc1c(C)cc2c(c1N)cccn2,FP
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,TN
+Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,TP
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,TP
+C[C@@H]1O[C@H]1c1ccccc1,FP
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,TN
+CCn1c(N)nc2c1ccc1c2cccn1,TP
+CCCC[C@H](CO)CC,TN
+COc1ccc(cc1)/C=C/c1ccc(cc1)N,TP
ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,TP
-O=C/C=C/c1ccc(cc1)N(C)C,NA
-C/C=N/N(C=O)C,NA
-CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,NA
-COC(=O)C12OC2(C)C(OC1=O)C,NA
-O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,NA
-OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,NA
-Cc1ccc2c(c1)cc1c(c2)ccc2c1cccc2,NA
-CC(S(=O)(=O)Cl)C,NA
-OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,NA
-O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,NA
-OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,NA
-COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,NA
-CC(CC(=O)OCC1=CO[C@H]([C@@H]2[C@@H]1C[C@@H]([C@@]12CO1)OC(=O)C)OC(=O)CC(C)C)C,NA
-O=CC=CNCCCCC(C(=O)O)N,NA
-CCCCCCCC1CCC(=O)O1,FP
-N#CCc1ccccc1,NA
-Nc1cnc2c(c1)nc1n2cccc1,NA
-ClCN1C(=O)c2c(C1=O)cccc2,NA
-CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,NA
-ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,NA
-c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,NA
-CC(=O)Nc1cccc2c1nccc2,NA
-[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,NA
-OCc1ccccc1[N+](=O)[O-],NA
-Cc1cccc2c1-c1cc3ccccc3cc1C1C2O1,NA
-COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,TP
-O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,NA
-Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-Cc1ccccc1OC[C@H]1CO1,NA
-CNC(=O)Oc1ccccc1OC(C)C,NA
-Nc1ccc(c(c1)C)c1ccc(cc1C)N,NA
-CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,NA
-COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,NA
-C=CC(=C)C,NA
-ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,TP
-OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,NA
-OC(=O)O,NA
-COP1(=S)OCc2c(O1)cccc2,NA
-C=C[C@@H]1CC[C@@]2([C@H](C1)O2)C,NA
-ClC[C@H](OP(=O)(O[C@@H](CCl)C)O[C@@H](CCl)C)C,NA
-CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,NA
-[O-][N+](=O)c1ccc(o1)C(=O)OC,NA
-ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,NA
-Nc1nccs1,NA
-O=NN(Cc1ccc(cc1)F)C,TP
-Clc1c(Cl)cccc1Cl,NA
-N#Cc1cc(I)c(c(c1)[N+](=O)[O-])O,NA
-OCCOc1ccccc1,NA
-CC(OC(=O)COc1ccc(cc1Cl)Cl)C,NA
-CCCCCCOC(=O)c1ccccc1,NA
-COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,NA
-COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,NA
-Nc1cc(Cl)c(c(c1)Cl)N,NA
-CNC(=O)/C=C(/OP(=O)(OC)OC)\C,TP
-COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,NA
-Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,NA
-CC1=CC(=O)c2c(C1=O)cccc2O,NA
-CCOC(=O)CC(=O)CCl,NA
-ClC(C(Cl)(Cl)Cl)(Cl)Cl,NA
-N#CCCN(c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CC,NA
-C=CC1CC2CC1C=C2,NA
-O=NN(c1ccccc1)O,NA
-CNCCS(=O)(=O)O,NA
-CCOc1ccc(cc1)N,NA
-n1sc2c(c1)cc(cc2)OC[C@H]1CO1,NA
-CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,NA
-NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,NA
-C[C@H](c1ccccc1)O,NA
-CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,TP
-COC1C(COC2OC(CO)C(C(C2O)O)O)OC(C(C1O)O)COCC1C(CO)OC(C(C1O)O)CC,NA
-O=C(n1cncc1)n1cncc1,NA
-O/N=C/C=N/O,FP
-Clc1ccc2c(c1)nc([nH]2)N,NA
-O=C1N(C)CCCN1C,NA
-BrCc1ccc2c3c1-c1ccccc1-c3ccc2,NA
-Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,TP
-[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,NA
-O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,FP
-OCCOCCOCC,NA
-O=Nc1ccc(cc1)Nc1ccccc1,NA
-O=C/C=C/c1ccccc1[N+](=O)[O-],NA
-COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,TP
-OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,NA
-COc1cccc2c1nc(s2)N,NA
-Clc1cccc(n1)Cl,NA
-NCC(C)C,NA
-Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,NA
-Cc1c(N)ccc(c1C)N,FP
-O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,NA
-COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1,NA
-CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,NA
-OC(=O)COc1ccc(cc1C)Cl,NA
-[O-][N+](=O)c1cccc2c1ccc1c2cccc1,NA
-ClCC(CCl)Cl,NA
-OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,NA
-OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,NA
-Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,TP
-COC(=O)C1CSC2N1C(=O)C(=C2Cl)Cl,NA
-OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,NA
-COc1cc(F)ccc1[N+](=O)[O-],NA
-OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,NA
-ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,NA
-Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,NA
-CCC(=O)OCc1cccc(c1)[N+](=O)[O-],NA
-Nc1ccnc2c1cccc2,NA
-Cc1cc(ccc1N)c1ccccc1C,NA
-OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,NA
-N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,NA
-Oc1cccc2c1cc1c(c2)c2ccccc2c2c1cccc2,NA
-Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,NA
-COc1ccc(c(c1)O)C(=O)c1ccccc1O,NA
-CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,NA
-Cn1c(N)nc2c1cc1ccncc1n2,NA
-OC(=O)C1OC1C(=O)O,NA
-S=C1NCCN1,NA
-ONc1cccc(c1C)C,NA
-Clc1cc(Cl)c(cc1O)Cl,NA
-Oc1cc2cccc3c2c2c1=C(O)C14C(c2cc3)(O4)CCCC1,NA
-O[C@H]1C=C2c3c([C@@H]1O)cccc3-c1c2cc2ccccc2c1,NA
-COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,NA
-CC(=CCOc1c2occc2cc2c1oc(=O)cc2)C,NA
-Nc1ccccc1C(F)(F)F,NA
-Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],NA
-Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,NA
-N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,NA
-COc1cccc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,NA
-ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,NA
-COc1cc(N)ccc1NC(=O)C,NA
-OCc1ccc(cc1)OC(=O)C,NA
-[N-]=[N+]=NC[C@@H](CO)O,NA
-Nc1ccc(cc1Cl)Oc1ccc(c(c1)Cl)N,NA
-O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,NA
-COc1ccccc1CC1CO1,NA
-Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,NA
-COc1ccc(cc1)Nc1ccc(cc1)OC,NA
-CCCCN(C[C@@H](CC)O)N=O,NA
-O=C/C=C/C=C/C=O,NA
-OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,NA
-Cc1cccnc1,NA
-OCCN(CC)CC,NA
-O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],NA
-COc1c(N)cc(c(c1C)N)C,NA
-OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,NA
-CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,NA
-[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],NA
-CCCCCc1cc(O)cc(c1)O,NA
-O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,NA
-CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,NA
-Nc1ccc2c(c1C(C)(C)C)cccc2,NA
-CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
-CCC(=O)C=C,NA
-O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,NA
-Cc1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1C,NA
-Fc1cccnc1,NA
-OC(=O)C1NC(Cc2ccccc2O)c2c(C1)c1ccccc1[nH]2,FP
-CON,NA
-O=Cc1ccc(cc1)C,NA
-BrC(C1=C(Cl)C(=O)OC1O)Br,NA
-N#[N+]c1ccc(cc1)[N+](=O)[O-],NA
-C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,NA
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1,NA
-CC(=O)c1ccncc1,NA
-CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1ccc(cc1)[N+](=O)[O-])CC,NA
-ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,NA
-N1C2C1c1cccc3c1-c1c2cccc1C1C3N1,NA
-COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,NA
-OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,NA
-FC(=C)F,NA
-O=C1NC(=O)N(C1)/N=C/c1ccc(o1)[N+](=O)[O-],NA
-CC(=O)NNc1ccccc1,NA
-Nc1cccc2c1nc1ccccc1n2,NA
-C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,NA
-COC(=O)C1=C(CC)C(OC1=O)C,NA
-Clc1cccc2c1cccn2,NA
-O=NN(CC(=O)C)C[C@H](O)C,NA
-CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,NA
-O=C1c2cccc3c2c2c4c1cccc4ccc2cc3,NA
-Cc1cccc(c1)N,NA
-OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,NA
-O=NN1CCC(=O)NC1=O,NA
-O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,NA
-FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,NA
-CCCCN(CC[C@H](O)C)N=O,NA
-Cc1ccc2c(c1)cc1c(c2)cccc1,NA
-OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(/C=C/C(C2CC2)O)C)C)/C1,NA
-CC(=O)c1cccc(c1)[N+](=O)[O-],NA
-C=C[Si](Cl)(Cl)C,NA
-O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,NA
-OCc1c2ccccc2c(c2c1cccc2)C,NA
-c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,NA
-Cc1cccc2c1cc1ccccc1c2,NA
-BrCc1ccccc1[N+](=O)[O-],NA
-OCC(C(c1ccccc1)N=N#N)O,NA
-CCOCC,NA
-O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],NA
-[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,NA
-ClC(=O)c1ccccc1C,TP
-OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,NA
-CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,NA
-CCCON(C(=O)c1ccccc1)OC(=O)C,NA
-OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,TN
-CC(=O)c1ccccc1,NA
-CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,NA
-CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,NA
-CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,NA
-COc1ccc(cc1)CCC1OC1,NA
-[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,NA
-OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,NA
-Oc1nsc2c1cccc2,NA
-O=c1ccc2c(o1)c1ccoc1cc2,NA
-COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,NA
-ON(c1ccc(cc1)Cl)C(=O)C,FP
-OC(C1CO1)CO,NA
-Oc1ccc(cc1)O,FP
-CCN=NO,NA
-CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,NA
-O1C2C1C1N=NC2C2C1O2,NA
-CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,NA
-Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,FP
-CC(=O)Nc1ccccc1,NA
-CCCCN(CCCC)CCO,NA
-Cc1ccc2c(c1)c(N)sn2,NA
-Cn1c(N)nc2c1c1cccnc1cc2,NA
-Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,NA
-O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,NA
-COc1c2ccc(=O)oc2cc2c1cco2,NA
-Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,NA
-CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,NA
-BrC(Br)Br,NA
-OC(=O)c1ccccc1O,NA
-CN(C(=O)NC)N=O,NA
-Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,NA
-C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,NA
-CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,FN
-N=C(Nc1ccccc1)Nc1ccccc1,NA
-CCOC(=O)CC(O)C,NA
-CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,TP
-C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,NA
-Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,TP
-O=C1C=CC(=O)c2c1c(O)ccc2O,NA
-CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,NA
-C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,NA
-COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,NA
-[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,NA
-O1C[C@@H]1[C@@H]1OC1,NA
-c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,NA
-CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,NA
-Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,NA
-COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,NA
-CCCCCCCC/C=C/CCCCCCCC(=O)O,FP
-CN(C(=S)SNCCNSC(=S)N(C)C)C,NA
-CCOC(=O)C1C(C1(C)C)C=C(C)C,FP
-Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,NA
-O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,NA
-Nc1ccc2c(c1)s[nH]c2=O,NA
-CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,NA
-OCC#N,NA
-Nc1ccc(cc1)Oc1ccc(c(c1)N)N,NA
-OC(=O)[C@@H]1CSCN1,NA
-Cc1cnc2c(n1)cccc2,NA
-O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,FP
-OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,NA
-COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,NA
-Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,NA
-C=CCCC1CO1,NA
-COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,NA
-OCC1CCCO1,NA
-OCC1OC(Oc2ccc(cc2)N=Nc2ccc(cc2)N(C)C)C(C(C1O)O)O,NA
-CCN([N+](=NO)[O-])CC,NA
-Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,NA
-CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,NA
-CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,NA
-OCC12OOC2(C)c2c(O1)cccc2,NA
-O=C1NC(=O)C(=C1Cl)Cl,NA
-C=CCc1ccc(cc1)O,NA
-CCOC(=O)C=C,NA
-ClC[C@@H](CBr)Br,NA
-CCN(C(=O)Cc1ccccc1)CC,NA
-NC(=O)c1ccccc1C(=O)N,NA
-OCCO,NA
-O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],NA
-Fc1ccc2c(c1F)nccc2,NA
-Clc1ccc2c(c1)c(N)sn2,NA
-Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,NA
-O=c1nc[nH]c(=O)[nH]1,NA
-N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,NA
-Cc1cccc(c1)C(=O)O,NA
-C/C=C/c1cc(OC)c(cc1OC)OC,NA
-NN1C(=O)c2c(C1=O)cccc2,NA
-Nc1cc2nc3ccccc3nc2cc1N,NA
-CC(CCNc1snc2c1cccc2)C,FP
-Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,NA
-OC(=O)c1ccc(c(c1)N)C,NA
-COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,NA
-CCCCN(C[C@@H](CCO)O)N=O,NA
-Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],NA
-O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,TP
-c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,NA
-COc1ccc(c(c1)C)N,NA
-[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,NA
-OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,NA
-Cc1ncc[nH]1,NA
-Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,NA
-CCCCCN(N=O)CCCCC,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],NA
-CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,NA
-CCCCCCCCCCCCCl,NA
-ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,TP
-[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,NA
-[O-][N+](=O)c1ccc2c(c1)CCN2,NA
-O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],NA
-O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,NA
-ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],NA
-O=C1CCCC=C1,NA
-Cc1cccc2c1nc1c(c2)ccc2c1cccc2,NA
-O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],NA
-ClCCN(C(=O)NC1CCC(CC1)C)N=O,NA
-ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,NA
-COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,FP
-Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,FP
-Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],NA
-O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,NA
-O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],NA
-Nc1cccc2-c3c(Cc12)cccc3,NA
-O=Nc1[nH]cnc1c1ccccc1,NA
-OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,NA
-Cc1ccc2c(-c3ccccc3C2C)c1,NA
-COP(=O)(N1CCOCC1)OC,NA
-Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,NA
-C/C(=C/COC(=O)C)/CCC=C(C)C,NA
-[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,NA
-Cl/C=C(\SCc1ccccc1)/Cl,NA
-COC(=O)C(Cl)Cl,NA
-COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],NA
-CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,NA
-COc1ccc2c(c1)sc(n2)N,NA
-OCCN(C(=O)N)N=O,NA
-O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,NA
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],NA
-COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,NA
-CCCCCCCC(=O)Nc1snc2c1cccc2,NA
-COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,NA
-[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,NA
-OOC(C)(C)C,NA
-ClC(=C1OC(=O)C(=C1)Cl)Cl,NA
-O=C1CCCN1c1ncc(s1)[N+](=O)[O-],NA
-ONc1nc2c(n1C)cc(cn2)c1ccccc1,TP
-CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,NA
-OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)c(O)c(cc2O)C)C(=O)C5C1O)c(O)c(cc4O)C,NA
-ClCCN(C(=O)NCC(=O)N)N=O,NA
-[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,NA
-CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,NA
-Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,NA
-O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,NA
-CC12OOC2(C)Oc2c1ccc1c2nccc1,NA
-CC(CCOC(=O)C)C,NA
-CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,TP
-COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,NA
-Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-N#N=Nc1nc2c([nH]1)cccc2,NA
-Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,NA
-OCc1ccc(cc1)Cl,NA
-CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,FP
-OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,NA
-CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,NA
-ONc1ccc(cc1)c1ccccc1,NA
-OS(=O)(=O)c1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],NA
-N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,NA
-O=C1c2cc(ccc2OC21CC2)C(=O)C,NA
-CC(=O)O[C@H]1C[C@H](CC=C1C)C(=C)C,NA
-ONc1ccc(c(c1)Cl)Cl,NA
-NC(=O)NNC(=O)N,NA
-OC1CCN(CC1)N=O,NA
-COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,NA
-[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,NA
-CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,NA
-CCCCN(CCCC)N,TN
-Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,NA
-Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,NA
-Cn1sc(cc1=O)Cl,NA
-Clc1cccc(c1)Br,NA
-CC(c1ccccc1)C,NA
-NC(=O)C=C,NA
-[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,NA
-OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,NA
-Cc1nc2c(s1)cccc2,NA
-O=NN1CSCC1,NA
-CC12OC1C1CCCCC1c1c2cccc1,NA
-CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,NA
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,NA
-Cl[C@@H]1CO1,NA
-Nc1ccc(cc1)/C=C/c1ccc(cc1)N,TP
-CC(Nc1nc(N)nc(n1)Cl)C,NA
-CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,NA
-[O-][N+](=O)c1cccc2c1nccc2,NA
-OC1C(O)C=Cc2c1cccn2,NA
-Cc1ccc2c(c1)cccn2,NA
-C1CCC2(CC1)CO2,NA
-C1CC[C@H]2[C@@H](C1)O2,NA
-Cc1cc(C)cc(c1)C,NA
-[O-][N+](=O)c1ccccc1Cl,NA
-Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,NA
-COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,NA
-O=NN(CC(=O)O)CC(=O)O,NA
-[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],NA
-COC(=O)/C(=C/c1ccco1)/[N+](=O)[O-],NA
-CC(=O)NNC(=O)c1ccccn1,FP
-O=C1NC(=O)C(=C(Cl)Cl)C1Cl,NA
-Cc1cnc2c(n1)c1nc(n(c1cc2)C)N,NA
-Fc1cccc2c1c1cccnc1cc2,NA
-OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,NA
-CC(COC(=O)C(=C)C#N)C,NA
-CC(=O)OCc1ccc(cc1)[N+](=O)[O-],NA
-OC[C@]12[C@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)[C@@H](OC(=O)C)[C@@H]1O)OC3,FP
-O=C(C1OC1)Nc1ccccc1,NA
-CC1=CC[C@H]2[C@H](C1)[C@H](CC=C2C)C(C)(C)C,NA
-COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,NA
-[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,NA
-Cn1cnc(c1Sc1[nH]cnc2-c1ncn2)[N+](=O)[O-],NA
-CCc1cccc(c1NC(=O)C)CC,NA
-O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,NA
-[O-][N+](=O)c1[nH]cnc1c1ccccc1,NA
-CCCC(=O)OCCC(C)C,NA
-CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,TP
-[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],NA
-CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,NA
-O=CC(=C(Cl)Cl)Cl,NA
-NC(=O)N/N=C/C(=O)O,NA
-Fc1cnc2c(c1)c1ccccc1cc2,NA
-Clc1ccc(c(c1)Cl)C(=O)O,NA
-CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)NC(=O)C,NA
-OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,NA
-Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,NA
-CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,NA
-Cc1ccc(c(c1)N)O,NA
-ClCC1=CC(=O)OC1,NA
-Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,NA
-OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,NA
-COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,NA
-CCOC(=O)N(CCOC(=O)C)N=O,NA
-[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,NA
-Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,NA
-CCOc1ccccc1N,NA
-CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,NA
-O=C1NCCN1c1nccs1,NA
-OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,NA
-OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,NA
-Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],NA
-Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,TP
-OCc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],NA
-N#CC(=C(C#N)C#N)C#N,NA
-CCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCNC(C1)C)c(c2)F,NA
-C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,FP
-OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,NA
-CCSCCOP(=S)(OCC)OCC,TP
-Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,NA
-CC(=O)C(Cl)(Cl)Cl,NA
-CC(c1cc(Sc2cc(c(cc2C)O)C(C)(C)C)c(cc1O)C)(C)C,NA
-NC1c2ccccc2-c2c1cccc2,NA
-Cc1c[nH]cn1,NA
-CCCC[C@H](CN)CC,NA
-c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,NA
-Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,NA
-c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,NA
-C=C1[C@H]2CC[C@@H](C1(C)C)C2,NA
-C[C@@H]1CC[C@H](C(=O)C1)C(C)C,NA
-CC(=O)Nc1ccc2c(c1)nccc2,TP
-O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,NA
-C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,NA
-CC(=O)Nc1snc2c1cc(Cl)cc2,NA
-OC(=O)c1cc(Cl)cc(c1)Cl,NA
-C=CC(=C)Cl,NA
-Cc1ccc(cc1)S(=O)(=O)OCC1OC1,TP
-C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)C(=O)CCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)C(=O)CCC1(C)C)\C,NA
-[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,NA
-Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,NA
-CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,NA
-COc1nsc2c1cc(cc2)[N+](=O)[O-],NA
-C=CC=C,NA
-Cc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-C=CC(=O)NC(CC(=O)C)(C)C,NA
-CCOP(=S)(SCn1c(=O)oc2c1ccc(c2)Cl)OCC,NA
-CCOP(=O)(SCCN(C(C)C)C(C)C)C,NA
-COc1cc(CNC(=O)C(Br)C)ccc1O,NA
-CN1CN(C)CSC1=S,NA
-CN1CN(C)CSC1=S,NA
-[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],NA
-OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,NA
-C=CCN(CC=C)N=O,NA
-OCc1ccc(cc1)F,NA
-COc1cc(Cl)c(cc1Cl)OC,NA
-CN(CCN(C)C)C,NA
-Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1c(Br)c(Br)c(c2Br)Br)c1cc(Br)c(c(c1)Br)O,NA
-NCC(=O)Nc1ccccc1,NA
-O[C@H]1C=Cc2c([C@@H]1O)ccc1c2cc2cccc3c2c1C=C3,NA
-N#Cc1cccc(c1)C#N,NA
-c1ccc(cc1)Oc1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)cc[nH]2,NA
-CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,NA
-Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,NA
-O=C=Nc1cccc(c1C)N=C=O,NA
-OCc1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,NA
-c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,NA
-[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],NA
-OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,FP
-Cc1ccc(cc1)C(O)(C)C,NA
-OCC1OC(C(C1O)O)n1cnc2c1nc(N)nc2NO,NA
-[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,NA
-OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,FP
-ClCc1ccccn1,NA
-c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,NA
-CC(=O)/C=C\c1ccccc1,NA
-CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],NA
-Clc1cccc(n1)C(Cl)(Cl)Cl,NA
-NC(=N)NC#N,NA
-OCCN(C)C,NA
-CCCCCOc1ccc(cc1)N=O,TP
-ClCCNc1ccc(cc1)C,TP
-Cc1ccccc1O,NA
-BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,NA
-COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,NA
-N#CC(Cl)(Cl)Cl,NA
-O=C1C=CC(=O)c2c1c(O)ccc2,NA
-O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],NA
-Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],NA
-C[C@@H]1O[C@@H]1C,FN
-ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,NA
-C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,NA
-Oc1ncc(c(n1)O)F,NA
-CCCCSCCC(C(=O)O)N,NA
-O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,NA
-O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,NA
-CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,NA
-COC(=O)C1(OC1(CC)C(O)C)C(=O)N,NA
-Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,NA
-Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],NA
-OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,FN
-OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],NA
-Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,NA
-c1ccc(cc1)c1nc2c(o1)cccc2,NA
-CC(ON(C(=O)c1ccccc1)OC(=O)C)C,NA
-CC(c1cc(ccc1N)c1ccccc1)C,NA
-ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,NA
-COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,NA
-[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,NA
-CCS,NA
-FC(Br)(Cl)F,NA
-N#N=NCc1ccccc1,NA
-Cn1c2ccccc2c2c1cccc2,NA
-CC/C=C\C#N,NA
-O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,TP
-COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,NA
-OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,NA
-COC(=O)CCCC(=O)OC,NA
-NC(=N)c1ccccc1,NA
-CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,NA
-BrN1C(=O)CCC1=O,FN
-S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,NA
-CNC(=O)NO,NA
-Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,NA
-NCCS(=O)(=O)O,NA
-Nc1ccccc1S(=O)(=O)O,NA
-[O-][n+]1ncc2c(c1)nccc2,FP
-Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,NA
-Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,NA
-CN(N)C,NA
-c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,NA
-c1ccc2c(c1)cncc2,NA
-O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,NA
-CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,NA
-Nc1cccc(c1)S(=O)(=O)O,NA
-[O-][N+](=O)c1ccc2c(c1)CC=C2,NA
-OC(=O)CCN=N#N,NA
-Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,NA
-OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,TP
-OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,NA
-CCCCC(CCCC)(CCC)S,NA
-FC(c1ccccc1)(F)F,NA
-O=C(c1ccccc1N)OC1CCCCC1,NA
-N#N=Nc1nc2c(n1C)c1ccccc1cc2,NA
-NC1CC(C)(C)N(C(C1)(C)C)O,NA
-ON1C(=O)CCC1=O,NA
-CCOC(=O)CC(=O)C,NA
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,NA
-c1ccc2c(c1)ccc1c2c2C=CCc2cc1,NA
-[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],NA
-Nc1ccc(cc1)c1ccccc1,NA
-CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,TP
-OC(c1ccccc1)CN=N#N,NA
-CC(Br)C,NA
-N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-OCCn1c(C)ncc1[N+](=O)[O-],NA
-O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,NA
-NC(=O)N(c1ccccc1)c1ccccc1,NA
-ONc1cccc2c1cccc2,NA
-OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,NA
-C=CC(=O)OC[C@H]1CO1,NA
-O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,NA
-CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,NA
-SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,NA
-CC1=CC(C)(C)Nc2c1cccc2,NA
-CCCCCCCCCCCCCC(=O)O,NA
-C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,NA
-O=NN(C(=O)c1ccccc1)C,NA
-COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
-CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,NA
-NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,NA
-OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,NA
-COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,NA
-Cc1cccc2c1ccc1c2ccc2c1cccc2,NA
-Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,NA
-Oc1cccc2c1cccn2,NA
-Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,NA
-CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,NA
-O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],NA
-OCc1ccc2-c1cc(ccc2C)C(=C)C,NA
-C[C@@H]1CC[C@H](CC1)C(C)C,NA
-O=C1C(=O)c2ccccc2-c2c1cccc2,NA
-CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,TP
-ONc1ccc(cc1C(C)(C)C)c1ccccc1,NA
-O/N=C/c1ccccn1,NA
-ClCCCCN(COC(=O)C)N=O,NA
-COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,TP
-CNC(=O)Oc1cccc2c1cccc2,NA
-CNC(=O)Oc1cccc2c1cccc2,NA
-Nc1cc(C)c(c(c1)[N+](=O)[O-])N,NA
-ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,NA
-CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],NA
-BrC(C(Br)Br)Br,NA
-Nc1cccc2c1ccc1c2cccc1,NA
-CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,NA
-Cc1ccccc1,NA
-COc1nncc2c1cccn2,NA
-OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,NA
-[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,NA
-COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,NA
-O=Nc1n(C)cnc1c1ccccc1,NA
-c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,NA
-C1C2SCC=CN2C1=O,NA
-CSCCC=O,FP
-OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,NA
-[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,NA
-[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,NA
-COc1cccc2c1C(=O)c1c(C2=O)cccc1,NA
-CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,NA
-CCCCCCNCCCCCC,NA
-O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,NA
-ClC(=C)C=O,NA
-[O-][N+](=O)c1c2ccccc2cc2c1cccc2,NA
-CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,FP
-N#CC1=C(SCCS1)C#N,NA
-BrC(C=O)CBr,NA
-[O-][N+](=O)c1ccc(c(c1)O)N,TP
-Cc1ccc(o1)C=O,NA
-O=CN(N=O)C,NA
-OCC(C(CO)O)O,NA
-c1ccc(cc1)NN=Nc1ccccc1,NA
-Clc1ccc(cn1)Cl,NA
-OC(=O)C1=CC(N(C1(C)C)O)(C)C,NA
-CC(CN(CC(C)C)N)C,NA
-Cc1cc(C)c2c(n1)cc(c(c2)C)N,NA
-N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],NA
-Cc1ccc(c(c1)[N+](=O)[O-])C,NA
-O=C1C=CC(=O)C=C1c1ccccc1,NA
-O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,NA
-CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],NA
-CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,NA
-CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,NA
-OC(=O)c1ccco1,NA
-[O-][N+](=O)OOC(=O)C,NA
-Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,NA
-OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,NA
-CCOC(=O)CC(C)C,NA
-COc1nsc2c1cc(N)cc2,NA
-O=NN(C(=N)N[N+](=O)[O-])C,NA
-O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],NA
-O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,NA
-OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,NA
-Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,TP
-Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,NA
-Br[C@H](CBr)COC(=O)C=C,NA
-CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,NA
-Oc1ccccc1Cl,NA
-Nc1cc2ccccc2c2c1cccc2,TP
-[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],NA
-OCCN(N=O)CCO,FN
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],NA
-C=CC(=O)OCCN(C)C,FP
-ClCCNCCCl,NA
-O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,NA
-COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,NA
-Fc1ccc(c2c1ccc1c2cccn1)F,NA
-COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,NA
-Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,NA
-C1OCCO1,NA
-CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,NA
-COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,NA
-BrCC(CBr)Br,NA
-[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,NA
-CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,FP
-CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],NA
-CC(=O)Nc1ccnc2c1cccc2,NA
-CNP(=S)(N1CC1)N1CC1,NA
-BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,NA
-ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,NA
-Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,TP
-CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,NA
-CCCCN(CCCO)N=O,FN
-[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,TP
-CC(Br)Br,NA
-BrCCOC(=O)C=C,NA
-Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],NA
-OCCCCO,NA
-Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,NA
-COP(=S)(OC)Cl,NA
-O=C(c1ccc(cc1)Cl)NCOC(=O)C,NA
-[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],NA
-COc1cccc(c1O)C=O,NA
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,NA
-OCCc1c[nH]c2c1cccc2CC,NA
-CC12OOC2(C)c2c(O1)cccc2,NA
-COC(=O)c1ccccc1N,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,NA
-O=Cc1ccc(cc1)[N+](=O)[O-],TP
-Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,NA
-ICI,NA
-CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,NA
-N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,NA
-ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,NA
-BrC(C1=C(Br)C(=O)OC1O)Br,NA
-CC(=O)Nc1cccc(c1C(=O)O)N,NA
-OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,NA
-CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,NA
-C/C=C\C=O,NA
-OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,NA
-OC(=O)/C=C/c1ccc(c(c1)O)O,NA
-Fc1cnc2c(c1)c(F)ccc2,NA
-N#CCCC(=O)CCc1ccc(cc1)C(=O)O,NA
-CCCCCl,NA
-NNCCO,FN
-COc1cc(cc(c1O)OC)C(=O)C,NA
-N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-ClC(C[C@@H]1OC1)(Cl)Cl,NA
-CC(=O)OC=C,NA
-OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,NA
-C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,NA
-[O-][N+](=O)c1cccc(c1N)C,NA
-ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,NA
-C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,NA
-CCCN(CCCC(=O)O)N=O,NA
-OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,NA
-CCCCO,NA
-ICCc1ccccc1,FP
-O=NN(C(=O)O/N=C(\SC)/C)C,NA
-O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,NA
-ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,NA
-CCCCCCCCSCN1C=CN(C1)C,NA
-O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,NA
-O=S1(=O)CC=CC1,NA
-CCCCCCC=C,NA
-CCCCC1CO1,NA
-S=P(N1CC1)(N1CC1)N1CC1,NA
-Fc1c(F)c(F)c(c(c1F)Cl)F,NA
-CNP(=O)(N(C)C)N(C)C,NA
-Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,NA
-CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,NA
-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],NA
-ClCC#N,NA
-CN(CCN(c1ccccn1)Cc1cccs1)C,NA
-O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,NA
-[O-][N+](=O)c1cc2ccccc2c2c1cccc2,NA
-Oc1ccc(c2c1c(O)c1ccccc1c2O)O,NA
-C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,NA
-OC(=O)c1cccc(c1)[N+](=O)[O-],NA
-Clc1ccc(cc1N)C(F)(F)F,NA
-c1cnc2c(c1)C1OC1CC2,NA
-CCCCOC(=O)/C=C\C(=O)OCCCC,FP
-CCCCN(CCCC(=O)O)N=O,NA
-Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,NA
-C1CCC2(CO1)CO2,NA
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,NA
-CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,NA
-CC([N+](=O)[O-])(C)C,NA
-CCCCCCCCCC=C,NA
-CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,NA
-[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],NA
-CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,FP
-OCC(CBr)(CBr)CBr,NA
-Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,NA
-[O-][n+]1ncc2c(c1)ccnc2,NA
-COc1ccc(cc1)N=O,NA
-CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,NA
-N#CCCCCC#N,FP
-COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,NA
-ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,NA
-COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],NA
-[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],NA
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,NA
-CC(OC[C@@H]1OC1)C,TP
-Cc1ccccc1Cl,NA
-O=C1OC2=CCO[C@H](C2=C1)O,NA
-O=C=Nc1ccc(cc1)N=C=O,NA
-COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,NA
-CCCCOCCOCCOCCCC,NA
-C=Cc1ccccn1,NA
-CN(CCOC(=O)C(=C)C)C,TP
-ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,TP
-COc1cccc2c1C1(C)OOC1(O2)C,TP
-Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,NA
-Cc1ccc2c3c1ccc1c3c(C2)ccc1,NA
-Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,NA
-Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,NA
-CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,NA
-N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,NA
-Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-Br/C(=C\c1ccccc1)/[N+](=O)[O-],NA
-CC(Cl)C,FN
-CCO,NA
-O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,NA
-OC(=O)C[C@@H](C(=O)O)C,NA
-OC[C@@H]1SCCN1N=O,NA
-OCCNC(=O)C(O)C,NA
-Cc1cc2c(c3c1cccc3)ccc1c2cccc1,NA
-O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,NA
-OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,NA
-Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,NA
-CC(=O)OCCOCCOCCOC(=O)C,NA
-CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,NA
-Oc1ccc(cc1O)C(C)(C)C,NA
-Clc1ccc2c(c1)cccc2,NA
-CCCCCC(=O)OCC,NA
-OCC(C)C,TN
-OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,NA
-CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,NA
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,NA
-O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,NA
-c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,NA
-COS(=O)(=O)C(F)(F)F,NA
-NNC(=O)c1ccncc1,NA
-CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,NA
+N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,TP
+CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,TN
+O=Nc1n(C)cnc1c1ccccc1,TP
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,TN
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,TN
+NC(C(=O)O)CSC(C(Br)Cl)(F)F,FN
+[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,TP
+BrC(=C)C=O,TP
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,TP
+Oc1cc2ccccc2c2c1c1ccccc1cc2,FP
+CCCCCCCCCCCC(=O)O,TN
+CC(=O)O,TN
+C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,TN
+Nc1ccc(cc1C)S(=O)(=O)O,TN
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,FN
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,TP
+c1ccc2-c3c(Cc2c1)cccc3,FP
+Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,TN
+FC(c1ccccc1)(F)F,TN
+ClCc1ccccc1[N+](=O)[O-],TP
+Nc1ncnc2c1nc[nH]2,TP
+Fc1ccccc1,FN
+O=NN(CC(=O)COC(=O)C)C,TP
+Cc1c2ccccc2cc2c1cccc2,TP
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,TN
+ClC(C(Cl)Cl)Cl,TN
+Cc1cc2c(NC(=O)CCl)snc2cc1,TP
+Fc1cc2cccnc2c2c1nccc2,TP
+CC12CCC(C2(C)C)CC1(C)O,TN
+COc1nsc2c1cccc2[N+](=O)[O-],TP
+c1cc(OCC2CO2)c2c(c1)cns2,TP
+Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,TP
+Cc1cccc2-c3c([C@H](c12)C)cccc3,TP
+Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],TP
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,TP
+OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,TN
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],TN
+[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,TP
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],TN
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],TN
+OCCCc1ccccc1,TN
COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,TP
-c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,NA
-CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,NA
-C[C@H](C(=O)NCC(=O)O)S,NA
-COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,FP
-OC(=O)Cc1ccccc1[N+](=O)[O-],NA
-OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,NA
-CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,NA
-COS(=O)(=O)C,NA
-Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,NA
-[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,NA
-FC(C(F)(F)F)Cl,NA
-CCCCCCCCCCCCOS(=O)(=O)O,NA
-C[C@@H]1CCC(=C(C)C)C(=O)C1,NA
-CC(=O)c1cccc2c1OC1(C2(C)OO1)C,NA
-BrCc1c2ccccc2cc2c1c1ccccc1cc2,TP
-ClCC=O,NA
-CCC(Nc1snc2c1cccc2)C,NA
-OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,TP
-NC(=O)Nc1ccc(cc1)C,FP
-CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,NA
-ClCCC(=O)N(c1snc2c1cccc2)C,NA
-CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,NA
-NC(=O)Nc1cccc2c1nccc2,NA
-c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,NA
-OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,NA
-CC1CCCO1,NA
-O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,NA
-NC(=O)N,NA
-Oc1ccc(cc1)[N+](=O)[O-],NA
-C[C@H]1CC(=O)O1,NA
-CSCCC(C(=O)O)N,NA
-O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],TP
-ONc1nc2c(n1C)ccc1c2nc(C)cn1,TP
-ClC(C(=CC(=O)O)C(Cl)Cl)Cl,NA
-O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,NA
-CC1(C)C2CCC3(C1C2)CO3,FP
-Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,NA
-Ic1ccc2c(c1)c(N)c1c(n2)cccc1,NA
-O=NN(C(=O)N)CC(=O)O,NA
-O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,NA
-CCCCCC[N+](=O)[O-],NA
-CN(C(=O)OCC)N=O,NA
-O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,NA
-COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,TP
-CC(=O)OCC12OOC2(C)c2c(O1)cccc2,NA
-CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,NA
-[O-][N+](=O)c1nccn1C,NA
-Fc1ccc(c(c1)[N+](=O)[O-])F,NA
-CCCN=NC(OO)(C)C,TP
-Fc1ccc2c(c1)nccc2,TP
-BrC=C,NA
-O=NN([C@@H](c1ccccc1)OC(=O)C)C,NA
-O=C/C=C\c1ccco1,FP
-N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,NA
-Cc1cc(ccc1N)N=Nc1ccccc1C,NA
-CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,NA
-C[n+]1c2ccccc2cc2c1cccc2,NA
-Cc1cc(N)cc(c1)N,TN
-N#CC(C(C#N)(C)C)(C)C,NA
-Cc1ccc(c(c1)C)[N+](=O)[O-],NA
-CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,NA
-CC(c1ccc(c(c1)O)C)C,NA
-Oc1cccc2c1C(=O)c1ccccc1C2=O,NA
-NCCNc1cccc2c1cccc2,NA
-SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,NA
-CN(C[C@@H](Cl)C)C,NA
-COc1cccc(c1)[N+](=O)[O-],NA
-OCc1c(OC2OC(COC3OCC(C(C3O)O)O)C(C(C2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
-OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,NA
-CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,FP
-C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,TP
-COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,NA
-ClCC(=O)Nc1c(CC)cccc1CC,NA
-NN(C(=O)C)C(=O)C,NA
-Nc1ccc2c(n1)n1ccccc1n2,TP
-OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,NA
-OCCN(c1ccc2c(c1)cccc2)CCO,NA
-O=C(c1ccccc1)c1ccccc1,TN
-OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,NA
-O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,NA
-CC(=O)OO,NA
-COCCOCCOC,NA
-Nc1ccc2c(n1)[nH]c1c2cccc1,NA
-OC(=O)CCCC[C@H]1SSCC1,NA
-Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,NA
-SCCc1cnccn1,NA
-Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],NA
-CNCC(=O)O,NA
-N/N=c/1\sc2c(n1C)cccc2,NA
-Oc1cccc2c1ccc1c2ccc2c1cccc2,NA
-OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,NA
-OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,NA
-O=C/C=C/c1ccccc1Cl,NA
-CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,NA
-NC1CCCC(C1)N,TN
-c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,NA
-CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,NA
-CC(=C)[C@@H]1CC=C([C@H](C1)O)C,NA
-C=CCOC(=O)CC(C)C,NA
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,NA
-BrCc1ccc(cc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,NA
-Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,NA
-OC(=O)CCc1c[nH]c2c1cccc2,NA
-OCc1ccnc2c1cccc2,NA
-O=CN(C(=O)N(C)C)C,NA
-ONc1ncnc2c1ncn2C,NA
-O=C1OC(=O)c2c1cccc2,NA
-N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-OCc1ccc2c3c1-c1ccccc1-c3ccc2,NA
-NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,NA
-[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],NA
-NC(C(=O)O)CSC(=O)NCCCl,NA
-[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,NA
-CCCCOCCOCCSC#N,NA
-c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,NA
-CCCCN,TN
-[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],NA
-O(Cc1ccccc1)CC1OC1,NA
-Nc1scc(n1)c1cccnc1,NA
-O=C(Cc1ccccc1)OCc1ccccc1,FP
-O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,TP
-O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,NA
-[O-][N+](=O)c1ccc2c3c1cccc3C=C2,NA
-ClCc1cccnc1,NA
-N[C@@H]1C[C@H]1c1ccccc1,NA
-Cc1cccc2c1ccc1c2cc2c(c1)cccc2,NA
-ClCc1ccccc1,NA
-FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,NA
-O=CN(c1ccc(cc1)[N+](=O)[O-])O,NA
-COC(=O)C(Cl)C,NA
-CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,FP
-C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,FP
-CCN(CCCC(=O)O)N=O,NA
-CC(=O)OCc1cccc(c1)[N+](=O)[O-],NA
-OCCc1ccc(cc1)[N+](=O)[O-],NA
-NCC=C,NA
-CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,NA
-COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,NA
-C[N+]1=CC=C(CC1)c1ccccc1,NA
-Oc1cccc2c1nccc2,NA
-O=NN(C(=O)C)C,NA
-c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,TP
-Clc1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,NA
-CCN(C(=O)c1cccc(c1)C)CC,NA
-Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,NA
-OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,NA
-Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,NA
-[O-][N+](=O)c1ccc(c(c1)Cl)Cl,NA
-Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,NA
-OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,NA
-ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,NA
-CCCCON(C(=O)c1ccccc1)OC(=O)C,NA
-c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,NA
-OC1C(O)C(OC1n1cnc2c1ncnc2O)COP(=O)(O)O,NA
-CC(OP(=O)(F)C)C,FP
-[O-][N+](=O)CCl,NA
-Cn1c(N)nc2c1cc1ccccc1n2,NA
-CCCCCCc1ccc(cc1O)O,NA
-CC(C(=O)O)N,NA
-Cc1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-ClCc1ccc(cc1)Br,NA
-BrCCBr,NA
-ClC(=O)c1ccccc1,NA
-CCCCOC(=O)c1ccc(cc1)N,NA
-OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,NA
-Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,NA
-ClC(C#N)Cl,NA
-CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,NA
-OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,NA
-Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,NA
-ONc1nc2[nH]c3c(c2cc1C)cccc3,TP
-O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,NA
-ClCCCC(=O)N(c1snc2c1cccc2)C,NA
-OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,NA
-CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,NA
-Clc1c(Cl)ccc(c1Cl)Cl,NA
-Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,NA
-CCSCSP(=S)(OCC)OCC,NA
-COC(CC(=O)C)(C)C,FP
-N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,TP
-c1ccc(cc1)c1ccccc1c1ccccc1,FP
-OC(=O)c1cccc(c1Cl)Cl,NA
-N#CCc1ccc(cc1)Cl,NA
-C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,NA
-NN(Cc1ccccc1)Cc1ccccc1,NA
-O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,NA
-O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],NA
-Oc1nc2c(o1)cccc2,NA
-O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,NA
-OC(=O)C(CSC(=C(Cl)Cl)Cl)N,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],NA
-NC(=S)Nc1cccc2c1cccc2,TP
-OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,NA
-CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,NA
-CCCCCCCCC=C,FP
-Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,NA
-OC(=O)c1ccc(cc1)Cl,NA
-COc1ccc(cc1)CN(N=O)C,NA
-CCc1nccc(c1)C(=S)N,NA
-[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],NA
-C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,NA
-Cl[C@H](C#N)Br,NA
-ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,NA
-COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,NA
-OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCNCCCNC(=N)CC2CCC(CC2)Cl)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,NA
-Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,NA
-OCCN1CC1,NA
-Nc1ccc(c(c1)[N+](=O)[O-])N,NA
-FC(Cl)(Cl)Cl,NA
-Cc1cccc2c1cccn2,NA
-OC/C=C(\C(=O)OC)/C=C(/C=C(/C=C/C=C(/C(=O)C12OC2C(NC1=O)(O)CCO)\C)\C)\C,NA
-O1C[C@@H]1COc1ccccc1,NA
-Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],NA
-CCN1CCOCC1,NA
-COC1=CC(=O)c2c(C1=O)nc(c1c2nc2-c1c[nH]cc2)C,NA
-O=C1NC(=O)c2c1cccc2,NA
-OCNC(=O)c1ccc(cc1)Cl,NA
-OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,NA
-ClCCN([C@@H](COc1ccccc1)C)Cc1ccccc1,NA
-COC(=O)C1=C(C(OC1=O)C)c1ccccc1,NA
-ClCC(F)(F)F,NA
-Nc1ccc(cc1)c1ccc(cc1)Cl,NA
-CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,NA
-CN(C(=N)N(C)C)C,NA
-[O-][N+](=O)c1ccc2c(c1)c(=O)[nH][nH]c2=O,NA
-O=C1c2ccc3c(c2C(=O)c2c1c1sc(nc1cc2)c1ccccc1)sc(n3)c1ccccc1,NA
-O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,NA
-Oc1ccc2c(c1N=Nc1ccc(cc1)N=Nc1ccccc1)cccc2,NA
-OCC1OC(CC1O)n1ccc(=O)[nH]c1=O,NA
-OCCc1cc(N)cc(c1N)[N+](=O)[O-],NA
-NC(=O)c1ccccc1C,NA
-OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,NA
-COC(=O)C1=C(C)C(OC1=O)C(C)C,NA
-CC(=O)CC(O)(C)C,NA
-OC(=O)c1cc(ccc1N)S(=O)(=O)O,NA
-Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,NA
-O[C@@H]1CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H]([C@H](O2)C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C1)O)C)C)O)C)O[C@H]1O[C@H](C)[C@@H]([C@@H]([C@@H]1O)N)O)C(=O)O,FP
-[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,NA
-[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,NA
-ClCC(C(=C)Cl)Cl,NA
-CCOC(=O)N(N=O)CC,NA
-Cc1cc2cccnc2c(c1)C(=O)O,NA
-CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,NA
-OCCN(CCO)CCO,NA
-Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,NA
-NC(=O)CBr,NA
-CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,NA
-ClN1C(=O)N(C(C1=O)(C)C)Cl,NA
-OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,NA
-N#CCCC(=O)/C=C/c1ccc(cc1)C(=O)O,NA
-O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,TP
-Clc1cccc(c1)C(=O)Cl,NA
-OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,NA
-CC(OC(=O)C(=C)C)C,NA
-Oc1ccc(c(c1)O)C(=O)O,NA
-Nc1ccc(cc1)F,TP
-CCOCCOC(=O)C,NA
-O=C(C(Br)(C)C)Nc1ccccc1,NA
-Nn1c2ccncc2c2c1cccc2,NA
-O1CCC2(CC1)CO2,NA
-Nc1scc(n1)c1ccccc1,NA
-CC(C(CCl)Br)Br,NA
-C=CCOc1ccccc1OCC(CNC(C)C)O,NA
-Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,NA
-ClC(C(Cl)Cl)Cl,NA
-CCCOc1ccc(cc1N)N,NA
-[O-][N+](=O)c1ccccc1C,NA
-Nc1ccc(cc1)Cl,NA
-COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,NA
-OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,NA
-CC(=O)NO,NA
-CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,FP
-c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,NA
-COc1c2ccc(cc2nc2c1cco2)O,NA
-Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-CSCCl,NA
-O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,NA
-Nc1ccc(cc1Cl)NOS(=O)(=O)O,NA
-ONc1ccc(c(c1)C)C,NA
-Cc1cc(C)c2c(c1)c1ccccc1cc2,TP
-ONC(=O)Cc1cn(cn1)N=O,NA
-N#C/C(=C(/C#N)\N)/N,NA
-O[C@@H]([C@@H](COS(=O)(=O)C)O)COS(=O)(=O)C,NA
-OC(=O)/C=C/c1c[nH]cn1,NA
-OCC1OC(CC1O)n1cc(Br)c(=O)[nH]c1=O,NA
-Nc1cc([N+](=O)[O-])c(cc1F)N,NA
-CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,NA
-C1CC[C@@H]2[C@@H](C1)CCCC2,NA
-Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,NA
-Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],NA
-N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,NA
-COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,NA
-Clc1cc(N)c(c(c1)Cl)O,NA
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,NA
-O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,FP
-Clc1nncc2c1ccnc2,NA
-COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],TP
-Nc1cccc2c1cc1ccccc1c2,TP
-CSCC(C(=O)O)N,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-CC(=O)[C@H](O)C,NA
-CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,NA
-OC(=O)c1cccc(c1)C(=O)O,NA
-CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,NA
-c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,NA
-COc1c2cc3OCOc3cc2nc2c1cco2,NA
-c1ccc2c(c1)cc1c3c2C=Cc3ccc1,NA
-CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,NA
-[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],NA
-CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,NA
-COc1cc(N)c(cc1N)C,NA
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,FP
-CC(=O)Nc1cccc(c1)C,NA
-COc1nncc2c1ccnc2,NA
-Nc1ncnc2c1ncn2C,TP
-CN(c1ccc2c(c1C)nc(c(n2)C)C)C,TP
-[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,NA
-CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,NA
-OCCc1ccccc1[N+](=O)[O-],NA
-Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,NA
-O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,NA
-C[C@H]1CN1,NA
-Oc1ccnc2c1cccc2,NA
-[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],NA
-O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,NA
-CC(=O)Nc1ccc(cc1)S(=O)(=O)N,NA
-CC(=O)Nc1snc2c1cc(Cl)cc2Cl,NA
-Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,NA
-CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,FP
-CCOCCOCC,NA
-O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],TP
-CCCCCC(/C=C/C=O)O,NA
-OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,NA
-CCOc1ccc(cc1)NO,NA
-CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,NA
-O=C1C[C@H]2C([C@]1(C)CC2)(C)C,NA
-O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,NA
-O=C1C(=O)c2c3c1cccc3ccc2,NA
-CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,NA
-c1ccc2c(c1)nc1c(c2)cccc1,NA
-OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,NA
-ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,NA
-Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,NA
-Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],NA
-OCNc1ncnc2c1ncn2C1OC(C(C1O)O)CO,NA
-CNC[C@H](c1cccc(c1)O)O,NA
-NC(C(=O)O)CSC(C(Cl)Cl)(F)F,NA
-Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,NA
-COc1ccc2c(c1)nc([nH]2)N,NA
-CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,NA
-[O-][N+](=O)c1ccc(cc1)c1ccccc1,NA
-OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,TP
-OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,NA
-NC(C(=O)O)CCS/C(=C/Cl)/Cl,NA
-CCOC(=O)C[n+]1csc2c1cccc2,NA
-[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,NA
-CCOC(=O)OCC,NA
-NCCc1c[nH]c2c1cc(O)cc2,NA
-OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,NA
-O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,NA
-O=NN1CCCN(CC1)N=O,NA
-[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,TP
-CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,NA
-OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,NA
-Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,NA
-COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],NA
-c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,NA
-OC(=O)c1ccc(o1)[N+](=O)[O-],NA
-O1C[C@@H]1c1ccccc1,NA
-CN(CCCNc1c2ccccc2nc2c1cccc2)C,NA
-CC1OC(C)CN(C1)N=O,NA
-[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],NA
-[O-][n+]1cccc2c1cccc2,FP
-c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,NA
-FC(C(Cl)(F)F)(Cl)F,NA
-O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,NA
-[O-][N+](=O)c1ccc2c(c1)csn2,NA
-CCCCCCCCCCCC(=O)N(CCO)CCO,FP
-Fc1cc2cccnc2c(c1)F,NA
-Brc1ccc2c(c1)[nH]c(c2)C(=N)N,NA
-CCNc1cccc(c1)O,NA
-C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,NA
-COc1cccc2c1OC1(C2(C)OO1)C,NA
-CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,NA
-COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,NA
-ONc1nc2c(n1C)ccc1c2cccn1,TP
-Oc1ccc2c(n1)cccc2,NA
-Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,NA
-Cc1ccc(c(c1)O)N,NA
-Nc1[nH]cnc2-c1ncn2,NA
-Cc1ccc(c(c1)N)N,NA
-c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,NA
-C=CC(=O)OCCCCOC(=O)C=C,FP
-O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,NA
-C=C[C@H](c1ccc2c(c1)OCO2)O,NA
-ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,TP
-CC(=O)ON(c1ccccc1C)C(=O)C,NA
-OCP(CO)(CO)CO,NA
-OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3N4CC(CC3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,NA
-COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,NA
-NC(=O)NCC(=O)O,NA
-CNCCO,NA
-CCN(S(=O)(=O)c1ccc(cc1)N)CC,NA
-OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],NA
-C/C=C\c1ccc(c(c1)OC)O,NA
-CCN(CC)N,NA
-OC1C(O)C(Oc2ccc3c(c2)c2ccc4c5c2c(c3)ccc5ccc4)OC(C1O)C(=O)O,NA
-O=S1(=O)CCCCO1,NA
-ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,NA
-OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,NA
-c1ccc2c(c1)sc(n2)SSc1nc2c(s1)cccc2,NA
-C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,NA
-ClC(=C1C=CC(=O)O1)Cl,NA
-CC(NCC(c1ccc(c(c1)O)O)O)C,NA
-[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,NA
-ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,NA
-CCSCC[C@@H](C(=O)O)N,FP
-c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,NA
-COC1OC(=O)C(=C1C(Cl)Cl)Cl,NA
-ClC1CCN(CC1)N=O,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,NA
-ONc1[nH]cnc2-c1ncn2,NA
-CCOC(=O)c1ccccc1C(=O)OCC,NA
-CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,NA
-c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,NA
-Nc1nc(N)nc(n1)Cl,NA
-Nc1cccc2c1cccc2,NA
-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],NA
-ClC(=O)OCc1ccccc1,NA
-COC1=C(OC)C(=O)C(=CC1=O)C,NA
-Brc1ccc2c(c1)c(N)c1c(n2)cccc1,NA
-C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,NA
-[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,NA
-[O-][N+](=O)C1CCCC1,NA
-CC(c1ccc2c(c1)ccc1c2cccc1C)C,NA
-CNC(=O)ON(C(=O)NC)C(=O)C,TP
-O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,NA
-ClCCN(c1cnc(nc1O)O)CCCl,NA
-CCCCCCCCCCCCCO,NA
-NNc1nncc2c1cncc2,NA
-CC(COC(=O)Cc1ccccc1)C,NA
-CCCCCCCCCCCl,NA
-[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,NA
-CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,NA
-O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,NA
-CC(=O)Cl,NA
-Clc1ncccc1Cl,NA
-OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,NA
-Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,TP
-COc1ccc2c(c1)nc1c(c2OC)cco1,NA
-COP(=O)(SC)SC,NA
-COCCOCCO,NA
-Nc1cc2ccccc2cc1N,NA
-Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,NA
-CCOP(=O)(N(C)C)C#N,NA
-ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,NA
-O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,NA
-OC[C@H]1CO1,NA
-[O-][N+](=O)c1ccccc1C(=O)N,NA
-OC(CN=N#N)CN=N#N,NA
-COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,TP
-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],NA
-ClCc1ccc(cc1)C(F)(F)F,NA
-Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,TN
-OC1C=Cc2c(C1O)ccc1c2cccc1,TP
-Clc1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,NA
-[O-][N+](=O)c1nc2c(n1C)cccc2,NA
-BrC[C@H]1CO1,NA
-ClCCCC(=O)N(c1snc2c1cccc2)CC,NA
-CSCNc1ccccc1,TP
-[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,NA
-ClCCOC(=O)Cl,NA
-O=C(C(C)C)Nc1snc2c1cccc2,NA
-CC(=O)OCc1ccccc1[N+](=O)[O-],NA
-CN(N=Nc1ccccc1)C,NA
-CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],NA
-O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,NA
-Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],NA
-CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,NA
-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,NA
-OC(=O)C(Cc1ccc(cc1)O)N,NA
-BrCCSCC(C(=O)OC)NC(=O)C,NA
-BrCC(=O)c1ccc(cc1)c1ccccc1,NA
-O=C(Nc1ccc(cc1)O)CC(=O)C,NA
-O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,NA
-OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,NA
-CC(=O)N1CNC(=O)N(C1=O)C(=O)C,NA
-CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,NA
-OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,NA
-O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,NA
-CCCCCCCCCCCCCC=C,NA
-[O-][N+](=O)c1cccc2c1c(C)ccc2,NA
-NC(=S)NNC(=S)N,NA
-ONc1ccc(cc1)N=Nc1ccccc1,NA
-O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,NA
-Nc1nc(O)c2c(n1)nn[nH]2,NA
-CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,NA
-CCCC(=O)Nc1snc2c1ccc(c2)Cl,NA
-[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,TP
-O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,NA
-Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,NA
-CCCCCC,NA
-[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],NA
-ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,NA
-OCC(Cl)Cl,NA
-CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,NA
-CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,NA
-CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,TP
-CC1=CC(=O)CC(C1)(C)C,NA
-OC(=O)CC[C@@H](C(=O)O)N,NA
-ClCCN(P1(=O)OCCCN1CCCl)CCCl,NA
-O=Cc1ccc2-c1cocc2COC(=O)C,NA
-ClCC(C(Br)(C)C)Br,NA
-Cc1ccccc1c1nc2c(o1)cccc2,NA
-COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,NA
-O=NN(Cc1ccccc1)C,NA
-[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,NA
-Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,NA
-Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,NA
-O=C(Nc1c(C)cccc1C)CN1CCCC1=O,FP
-C=C[C@@](CCC=C(C)C)(O)C,NA
-CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,TP
-COc1c2cc(OC)ccc2nc2c1cco2,NA
-CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,FP
-c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,NA
-CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-c1ccc2c(n1)c1CCC3C(c1cc2)O3,NA
-[C-]#N,NA
-COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],NA
-Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,NA
-[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,TP
-Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,NA
-CCc1ccccc1[N+](=O)[O-],NA
-ClC(c1ccccc1)C(=O)Cl,NA
-OC(=O)Cc1ccc(cc1)N,NA
-CCCSC(=O)Cl,NA
-[O-][N+](=O)NC(=N)NC,NA
-[O-][N+](=O)NC(=N)NC,NA
-Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,NA
-COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,NA
-COCC12OOC2(C)c2c(O1)cccc2,NA
-Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-O1COCOC1,NA
-OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO,NA
-Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,NA
-[O-][N+](=O)c1cc2c(N)snc2cc1,NA
-C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,NA
-Cl[C@@H](C(F)(F)F)Br,NA
-NCCNCCNCCN,TP
-CN(c1ccc(cc1)N=Nc1ccccc1)C,TP
-CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,NA
-C=CCCCC[C@@H]1OC1,TP
-NCCCN,NA
-C1CC=C2C(C1)CCc1c2cccc1,NA
-Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-ClCc1ccccc1CCl,NA
-Cn1cnc(c1c1ccccc1)[N+](=O)[O-],NA
-Cc1cc2-c3ccccc3Cc2cc1C,NA
-O=Nc1ccc2-c3c(Cc2c1)cccc3,NA
-Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,NA
-Nc1ccc(cc1)Oc1ccc(cc1)N,NA
-OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,TP
-Cc1ccc(cc1)[C@H]1OC1,NA
-N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,NA
-c1cc[n+]2c(-c3cccc[n+]3CC2)c1,NA
-OC(=O)c1cccnc1,NA
-Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,NA
-OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,NA
-NC(C(=O)O)CS/C=C/Cl,TP
-Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,NA
-O=c1[nH][nH]c(=O)c2c1cccc2,NA
-[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,NA
-CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,NA
-Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,NA
-C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,NA
-c1ccc2c(c1)Sc1c(N2)cccc1,NA
-c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,NA
-CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,NA
-c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,NA
-Brc1ccc(cc1)[N+](=O)[O-],NA
-ClCCCl,NA
-ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,NA
-CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,NA
-COc1cc2c(cc1OC)nc1c(c2O)cccc1,TP
-O=C/C(=C(/C(=O)O)\Cl)/C,TP
-OCCN1CCNCC1,FP
-Cc1cc2ccccc2c2c1cc1ccccc1c2,NA
-O=CC1C=COC=C1,FP
-CN(C=O)N,TN
-NC(=O)c1ccc(cc1)[N+](=O)[O-],NA
-CCCC(=O)O,FP
-OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,NA
-Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,NA
-Nc1ccc2c(c1)c1ccccc1n2C,NA
-NC(=O)N=NC(=O)N,NA
-CC([N+](=O)[O-])(Cl)Cl,NA
-O=C1OCC1(C)C,NA
-OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,NA
-NCCNCCNCCNCCN,NA
-Oc1ncc2c3c1ccc1c3c(cc2)ccc1,NA
-COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,NA
-ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,NA
-O=C1NS(=O)(=O)c2c1cccc2,NA
-C[C@H]1CCOS(=O)(=O)O1,NA
-Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,NA
-CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,NA
-CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,TP
-COO,NA
-N[C@H](C(=O)O)CSCc1ccccc1,NA
-SC(=N/C=C/N=C(S)S)S,NA
-OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCC(N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,NA
-Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,NA
-CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,NA
-CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,NA
-OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,NA
-CC1CCCC2(C1(O)CCCC2)C,NA
-Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,NA
-Cc1ccc2c(c1)c(N)c1c(n2)cccc1,NA
-Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,FP
-COC(C(Cl)Cl)(F)F,NA
-[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,TP
-O=CC(=O)O,NA
-Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,NA
-CC(=O)CCOOCCC(=O)C,NA
-c1ccc(cc1)C(c1ccccc1)c1ccccc1,NA
-OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,NA
-O=NN(Cc1ccc(cc1)C(=O)O)C,FP
-NC(C(=O)O)CCCCNCC(C(=O)O)N,NA
-O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,NA
-Clc1cccc2c1cccc2,NA
-CNNCc1ccc(cc1)C(=O)NC(C)C,NA
-CCN1CCNC(=O)C1=O,NA
-[O-][N+](=O)c1cccc2c1cccc2,NA
-OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],NA
-[O-][N+](=O)c1cccc2c1c1ccccc1o2,NA
-Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,NA
-[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],FP
-Oc1ccc(c2c1cccc2)O,NA
-COP(=O)(OC=C(Cl)Cl)OC,TP
-CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,NA
-c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,NA
-c1ccc2c(n1)C1OC1C1C2O1,NA
-CCCOC(=O)c1ccc(cc1)O,NA
-O=C1C=CC(=NC(=O)C)C=C1,NA
-FCC(F)(F)F,NA
-O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,TP
-Nc1cc(Cl)cc(c1)Cl,NA
-O1CCOCCOc2c(OCCOCC1)cccc2,NA
-COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,NA
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,NA
-COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,NA
-O=C1C=CC2=[N+](C(/C(=N/c3ccccc3)/C2=C1)(c1ccccc1)c1ccccc1)[O-],NA
-OC1OC(=O)C=C1CCl,NA
-CC(c1ccccc1)CCN=N#N,NA
-CCOc1ccc(cc1)N(C(=O)C)O,NA
-OC(=O)C(c1ccc(cc1)Oc1nccs1)C,NA
-CCC(=O)O,NA
-CCOC(=O)c1ccc(cc1)N(C=O)O,NA
-CCN=C=S,NA
-c1ccc2c(n1)c1[nH]ccc1cc2,NA
-OO[C@@H]1CCCc2c1cccc2,NA
-BrCC(=C)Br,NA
-O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,NA
-[O-][N+](=O)c1ccccc1C(=O)O,NA
-Cc1ccc(c(c1)O)O,NA
-CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,NA
-Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,NA
-Nc1cccc(c1)Cl,NA
-CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,NA
-C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,NA
-COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,NA
-Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],NA
-COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,NA
-C[Si](N=N#N)(C)C,NA
-CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,NA
-c1ccc(cc1)P(c1ccccc1)c1ccccc1,NA
-ONC(=O)c1ccc2c(c1)cccc2,NA
-N#Cc1ccc2c(c1)nc([nH]2)N,TP
-CC12OOC1Oc1c2cccc1,NA
-Oc1ccc(c(c1Cl)Cl)Cl,NA
-Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,NA
-Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],NA
-CCCCN(/C(=N/O)/C=O)N=O,NA
-CNc1ccc(cc1)[N+](=O)[O-],NA
-C(C[C@@H]1OC1)CC[C@@H]1OC1,NA
-O=CCC(C)C,FP
-OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,NA
-CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],NA
-CC(O)C,TN
-CCl,NA
-O=C1NCC(=O)N1,NA
-Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,NA
-COC[C@H]1CO1,NA
-COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],NA
-NN(c1ccc(cc1)C)c1ccc(cc1)C,FN
-Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,NA
-OC(=O)CCl,NA
-ClCC(CCl)Br,FN
-CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,NA
-O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,TP
-c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,NA
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,NA
-CC(=N)S,NA
-COc1nsc2c1ccc(c2)N,NA
-[O-][N+](=O)c1ccccc1O,NA
-Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,NA
-Nc1ccc(cc1)/C=C/c1ccccc1,NA
-O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,NA
-OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],TP
-CCCCCCC1OC1,NA
-c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,NA
-NNC(=O)N,NA
-CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,NA
-Nn1nnc2-c(c1O)nc1c2cccc1,NA
-N#N=NCC(C(C(C(CO)O)O)O)O,NA
-NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],NA
-c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,NA
-N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,NA
-COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,NA
-Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,NA
-O=c1ccc2c(o1)cccc2,NA
-Clc1nncc2c1cccn2,NA
-CCN(C(=O)N(C)C)N=O,NA
-O=NN1CCCCCCCCCCCC1,NA
-Nc1cc([N+](=O)[O-])c(c(c1C)C)N,NA
-O=NN(Cc1ccc(cc1)C)C,NA
-O=Nc1cc(ccc1C)[N+](=O)[O-],NA
-Cc1cccc(c1N)C,NA
-Cc1cccc(c1N)C,NA
-[O-][N+](=O)c1ccc(c(c1)C)N,NA
-Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,NA
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,NA
-NNc1ccccc1,NA
-O=C1c2ccccc2CCc2c1cccc2,NA
-CC(N)(C)C,NA
-O=C1C=CC(=O)O1,NA
-c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,NA
-Cc1cccc2c1nccc2,NA
-CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,NA
-O1CC1Oc1ccccc1,TP
-Oc1ccc(c(c1)C(C)(C)C)O,NA
-COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,NA
-CC/C=C/C=C/C=C/C=C/OCC(CO)O,NA
-O=Nc1cccc(c1)c1ccccc1,NA
-ClCCC(=O)N(c1snc2c1cccc2)CC,NA
-OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,NA
-CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,FP
-S(Cc1ccccc1)SCc1ccccc1,NA
-Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,NA
-OCCNC(=O)N(CCCl)N=O,NA
-[CH2-][N+](=O)[O-],NA
-Nc1cc(N)c(cc1N=Nc1ccccc1)C,NA
-Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,NA
-CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,NA
-CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,NA
-O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,TP
-OC(=O)C1CC=C(C=C1)OP1(Oc2ccc(cc2)C(=O)O)NP(Oc2ccc(cc2)C(=O)O)(Oc2ccc(cc2)C(=O)O)NP(N1)(Oc1ccc(cc1)C(=O)O)Oc1ccc(cc1)C(=O)O,NA
-CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,NA
-Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,NA
-IC(I)I,NA
-ClCBr,NA
-O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,FP
-CCCCC(=O)Nc1snc2c1cc(Cl)cc2,NA
-C=CC(=O)OCCCCCOC(=O)C=C,NA
-CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,NA
-Cc1ccc(cc1NCC)O,NA
-Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,NA
-c1ccc2c(c1)[nH]cc2,NA
-COc1ccc(cc1)OC,NA
-O=NN1CCC[C@@H]1c1cccnc1,NA
-CCCCCCCCO,NA
-[O-][N+](=O)c1cccc(c1Cl)Cl,NA
-O=C/C=C/C=O,NA
-Nc1ccccc1N,NA
-Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,NA
-[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,NA
-O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,NA
-[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,NA
-CC1CS1,NA
-[O-][N+](=O)c1scc(c1)C(=O)N,NA
-c1ccc2c(n1)c1ncccc1cc2,NA
-c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,NA
-C/C=C/C,NA
-O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,NA
-c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,NA
-CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,NA
-OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,TN
-[O-][N+](=O)c1cc2c(Cl)nsc2cc1,NA
-[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,TP
-O=C1c2ccccc2Cc2c1cccc2,NA
-Nc1ccc(c(c1)N)Cl,NA
-Fc1ccccn1,NA
-Oc1c2ccccc2cc2c1ccc(c2O)O,NA
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,TN
-COC(=O)C(=C)C#N,NA
-O=Nc1ccc(cc1)Oc1ccccc1,NA
-[O-][N+](=O)c1ccccc1,NA
-O=C=S,NA
-NC(C(=O)O)CSC(C(Br)Cl)(F)F,TP
-C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,TN
-CC(c1ccccc1)N(C)C,NA
-[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,TP
-[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],NA
-CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,NA
-[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,NA
-CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,NA
-NNc1scc(n1)c1ccc(cc1)N,NA
-Cc1ccc(cc1)NN=NCc1ccccc1,NA
-CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,NA
-C[C@H]1CO1,NA
-OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,NA
-Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],NA
-O=C(C(F)(F)F)C(F)(F)F,NA
-O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,NA
-COCCc1ccc(cc1)OCC(CNC(C)C)O,NA
-OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-CC1(OC1)c1ccc(cc1)c1ccccc1,NA
-O=C/C(=C(/C(=O)O)\Cl)/Cl,NA
-CCCCCC(=O)O,NA
-Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,NA
-[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,NA
-O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,NA
-Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,FP
-CC(=O)Nc1ccc(cc1)Sc1ccccc1,NA
-N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,NA
-ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,NA
-CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,NA
-OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,NA
-COc1ccccc1N=Nc1c(O)ccc2c1cccc2,NA
-O=CN(c1ccc2c(c1)cccc2)O,NA
-CC(=O)c1ccco1,NA
-CCCCNCC,NA
-[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,NA
-[O-][N+](=O)c1ccc2c(c1)ncn2C,NA
-COc1ccccc1c1ccccc1,NA
-CC(CC(=O)CC(C)C)C,NA
-Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,NA
-CNP1(NC)NP(NC)(NC)NP(N1)(NC)NC,NA
-Nc1ccc(cc1)CCc1ccccc1,NA
-CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,FP
-Fc1ccc2-c3c(C(c2c1)C)cccc3,NA
-Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,NA
-CCn1c2ccc(cc2c2c1cccc2)N,TP
-Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,NA
-OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,NA
-CCCCN(CCC(=O)OC)N=O,NA
-Clc1ccc(c(c1)N)[N+](=O)[O-],NA
-COCC=O,NA
-Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
-CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,NA
-ONc1cc(C)ccc1C,NA
-c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,NA
-O=NN1CN2CN(C1)CN(C2)N=O,NA
-NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,NA
-OC(=O)[C@H](Br)Cl,NA
-NC(=O)C1CO1,NA
-COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,NA
-Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,NA
-O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],NA
-OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,NA
-SC[C@@H](C(=O)O)NC(=O)C,NA
-CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,NA
-CCCCON=O,FN
-ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,NA
-Fc1ccc2c(n1)cccc2,NA
-N1CCN(CC1)c1ccccc1,NA
-COC(C)(C)C,NA
-CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,NA
-Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,NA
-Oc1ccccc1c1ccccc1O,NA
-COc1cc(C=O)ccc1OC,NA
-ClCc1ccc(cc1)CCl,NA
-Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,TP
-Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,FP
-CC(=O)OCN([N+](=O)[O-])C,NA
-CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,NA
-Cc1cccc2-c3c(C(c12)C)cccc3,NA
-[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],NA
-CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,NA
-CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,NA
-Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,NA
-CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,NA
-c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,TP
-CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,NA
-OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,NA
-COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,FP
-Nc1c2cc(C)ccc2nc2c1cc(C)cc2,NA
-FC(C(C(F)(F)F)F)F,NA
-Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,NA
-CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,NA
-CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,NA
-CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,NA
-CNC(=O)NC,TN
-CCCC[C@H](COCCC#N)CC,NA
-OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,NA
-O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,TP
-COc1cc(C=O)ccc1O,NA
-CCNS(=O)(=O)c1ccc(cc1)C,NA
-N#CCC[C@H](C#N)C,NA
-Cc1c2ccc3c(c2nc2c1cccc2)cccc3,NA
-O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,NA
-O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,FP
-CNCCCN1c2ccccc2CCc2c1cccc2,FP
-Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],NA
-CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,NA
-Cc1c(C)ccc(c1C)C,NA
-O=NN(C(C(=O)C)OC(=O)C)C,TP
-[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,NA
-O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,NA
-O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
-CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,NA
-CC(=O)Nc1ccc(cc1)O,NA
-[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],NA
-N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,NA
-O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,NA
-OC(=O)Cc1cccc(c1)[N+](=O)[O-],NA
-Cc1cc(C)c(c(c1)C)C,NA
-CC(=O)N,NA
-ClC/C(=C(\C(=O)O)/Cl)/C=O,NA
-CC(=O)n1ncc(c(c1=O)Cl)Cl,NA
-ClCC(=O)Nc1snc2c1ccc(c2)Cl,NA
-Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,NA
-CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,NA
-ONc1cc2c([nH]1)cccc2,NA
-Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,NA
-CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,NA
-Nc1ccc(cc1C)S(=O)(=O)O,NA
-O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,NA
-Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,NA
-CC(O)(C)C,NA
-CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,NA
-O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,NA
-NCN,NA
-ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,NA
-CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,NA
-CCCCOCCOCCO,NA
-CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,NA
-BrCC(COP(=O)(OCC(CBr)Br)O)Br,NA
-OCc1ccc(o1)C=O,NA
-Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,NA
-CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,NA
-C[C@H](CN)O,NA
-ClN1C2C1c1ccccc1-c1c2cccc1,NA
-ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,NA
-ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,NA
-OC(=O)C1CSSC(C(=O)N1)(C)C,NA
-[O-][N+](=O)c1cccc2c1oc1c2cccc1,NA
-COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,NA
-ClC(=O)c1ccc(cc1)[N+](=O)[O-],NA
-OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,NA
-O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,NA
-O=Cc1ccccc1O,NA
-OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,NA
-CCOc1cccc(c1)N,NA
-CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,NA
-Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,NA
-C=CC(=O)OCC(C)(C)C,NA
-[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,NA
-O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,NA
-Oc1ccc(c(c1)Cl)Cl,NA
-O(Cc1ccccc1)Cc1ccccc1,NA
-Cc1ccc(cc1)CC[C@@H]1OC1,NA
-OC1C2OC2c2c(C1O)ccc1c2c2ccc3c(c2cc1)cccc3,NA
-O=C1OC(=O)c2c1cc(cc2)C(=O)O,NA
-C[n+]1c2ccccc2c(c2c1cccc2)N,NA
-O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,NA
-Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],NA
-O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,NA
-COc1ccc(cc1N)C,NA
-CCCCC=C,FP
-CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,NA
-FC(C(Cl)(Cl)F)(Cl)Cl,NA
-CC/C=C/CC/C=C/C=O,NA
-OC1C=Cc2c(C1O)ccc1c2cccn1,NA
-CCCC[C@H](COC[C@H]1CO1)CC,NA
-Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,NA
-CCN(c1ccccc1)Cc1ccccc1,FP
-COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,NA
-CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,NA
-Oc1c(O)cccc1O,FN
-COS(=O)(=O)OC,NA
-CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,NA
-NN(c1ccccc1)c1ccccc1,NA
-CCN=[N+](C)[O-],NA
-[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,TP
-OOC([C@@H]1CC[C@H](CC1)C)(C)C,TP
-OC(=O)/C=C/C=C/C(=O)O,NA
-O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],NA
-CC(CCON=O)C,NA
-CCNC(=O)CCC(C(=O)O)N,NA
-CCCCC/C=C\C=C/C=O,NA
-CCCN(C(=O)N)N=O,NA
-CCCCCCCC/C=C\CCCCCCCC(=O)OC,NA
-Fc1ccc(c(c1)F)N,NA
-[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,NA
-OC(COc1cccc2c1C=CC2)CNC(C)C,FP
-c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,NA
-ClCC(=O)N(c1snc2c1cccc2)C,NA
-CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,NA
-CCCCC(=C)C=O,NA
-Nc1ccc(cc1)Sc1ccc(cc1)N,NA
-COc1ccc(c(c1)OC)N,NA
-CC(=O)N(C)C,NA
-COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](Cl)[C@H](C(=O)c1c(=O)o2)Cl)C=CO3,NA
-OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],NA
-OC(=O)C1OC(Oc2cccc3c2cc2ccc4c5c2c3ccc5ccc4)C(C(C1O)O)O,NA
-CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,NA
-O1CCOCCOCCOCCOCCOCC1,NA
-CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,NA
-O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,NA
-CC(=O)O,NA
-Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,NA
-ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,NA
-CCN(CC)CC,TN
-BrCc1cccc2-c3c4c(-c12)cccc4ccc3,NA
-N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,NA
-O=C=NC1CCCCC1,NA
-C=CC(=O)OCCCCCCOC(=O)C=C,NA
-O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,NA
-CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,NA
-O=Cc1ccc(cc1)O,NA
-CCCSSCC=C,NA
-OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,NA
-NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,NA
-Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,NA
-Clc1cc(N)c(c(c1)S(=O)(=O)O)O,NA
-c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,NA
-C1CCCC1,NA
-ClC(C(Cl)(Cl)Cl)Cl,NA
-ONc1ccc(cc1C)C,NA
-CSSC,NA
-COc1cccc2c1nc1occc1c2OC,NA
-Cc1c(C)cccc1C,NA
-Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,NA
-N[C@@H](C(=O)O)Cc1ccc(cc1)F,NA
-NC(C(=O)O)CSC(C(Br)Br)(F)F,NA
-Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,NA
-OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,NA
-COc1nncc2c1nccc2,NA
-Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,NA
-COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,NA
-N#N=NCC(Cn1cnc2c1ncnc2SC)O,NA
-COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,NA
-BrCCC(=O)N1CCN(CC1)C(=O)CCBr,NA
-Clc1ccc(cc1)c1nc2c(o1)cccc2,NA
-OC1CCCCC1,NA
-N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,NA
-[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,NA
-CCCCN(CC)CC,NA
-CC(COC(=O)C(=C)C)C,NA
-Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,NA
-Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,NA
-O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,NA
-O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,NA
-[O-][N+](=O)c1ccccc1Nc1ccccc1,NA
-Clc1ccc(c(c1)Cl)O,FP
-C[C@@H]1CN(N=O)[C@H](CN1N=O)C,NA
-Clc1ccc(cc1)C(=O)Cl,NA
-O=C(c1ccccc1O)OCc1ccccc1,NA
-OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,NA
-ClC(=O)CCc1ccccc1,NA
-Nc1ccc2c(c1)nc1c(c2N)cccc1,NA
-NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,NA
-CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,NA
-FC(C(F)(F)F)C(F)(F)F,NA
-ClCC(CBr)(Br)C,NA
-Nc1ccc(cc1)N=Nc1ccc(cc1)N,TP
-O=C(Nc1ccccc1)CC(=O)C,NA
-c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,NA
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],NA
-Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-ClC/C=C/CCl,NA
-ONc1ccc2-c3c(Cc2c1)cccc3,NA
-Cc1ccccc1Br,NA
-OCCN=N#N,NA
-Nc1ccc(cc1)N,NA
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,NA
-[O-][N+](=O)c1cc(ccc1O)c1ccccc1,NA
-O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,NA
-O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,NA
-Clc1c(O)cccc1Cl,NA
-[O-][N+](=O)c1ccccc1C(=O)Cl,NA
-CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,FP
-Nc1sc2c(n1)c(Cl)ccc2,NA
-CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,NA
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,NA
-CCn1c(N)nc2c1ccc1c2ncc(n1)C,NA
-[O-][N+](=O)NC(=N)N(N=O)CCCCCC,NA
-Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-CC(C(C)(C)C)OP(=O)(Cl)C,NA
-O=C1C=CC(=O)C(=C1)C(C)(C)C,NA
-CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,NA
-Cc1cccc2c1-c1ccccc1C2C,NA
-O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,TP
-OCCN(CCO)C,NA
-C/C=C\C=C/C(=O)O,NA
-C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,NA
-Sc1nc2c([nH]1)cccc2,FP
-Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,NA
-[O-][n+]1cccc2c1C1OC1C=C2,NA
-ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,NA
-OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,NA
-OC(=O)CCN[N+](C)(C)C,FP
-[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,NA
-BrCCC(Br)Br,NA
-CC1=CC(=O)C(=CC1=O)C,NA
-O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,NA
-BrCCOC(=O)CC(C(=O)OCCBr)O,NA
-CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,NA
-CCSC(=O)Cl,NA
-CCN(c1ccccc1)CC,NA
-O=C1c2ccccc2C(=O)C1(O)O,NA
-CCCCN(C(=O)N)N=O,NA
-CN1CCC(=CC1)c1ccccc1,NA
-ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,NA
-Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,NA
-COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,NA
-COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],NA
-OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],NA
-O=NN(CC(=O)C)COC(=O)C,NA
-COc1ccc(cc1)/C(=C\C(=O)O)/Br,NA
-ClC[C@H](O[C@@H](CCl)C)C,NA
-Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,NA
-COC(=O)c1ccc(cc1)C,FP
-CC(=O)OCc1ccco1,NA
-CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,NA
-CNS(=O)(=O)c1ccc(cc1)N,NA
-Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,NA
-CCc1ccccc1N,NA
-C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,NA
-C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,NA
-[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,NA
-C=CC(=C)CCC=C(C)C,NA
-Cc1cc(cc(c1)C)[N+](=O)[O-],NA
-Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,NA
-CCCOC(=O)c1cc(O)c(c(c1)O)O,NA
-ClCCN(c1ccc2c(c1)cccc2)CCCl,NA
-OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,NA
-O=C=Nc1ccc(c(c1)N=C=O)C,NA
-ClC(=C)C#N,NA
-COc1ccc2c(c1)[nH]c1c2CCN=C1C,NA
-COc1cccc(c1)/C=C/c1ccc(cc1)N,NA
-OCCN(N=O)CC,NA
-Clc1ccc2c(c1)nc(n2C)N,NA
-OC(=O)c1cccc(c1C)[N+](=O)[O-],NA
-ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,NA
-OCC1OC(CC1O)n1cnc2c1nc(O)nc2N,NA
-Oc1ncnc2c1cccc2,FP
-O=CC(=C(Cl)Cl)C(Cl)Cl,NA
-CC(=O)OCc1ccc2c(c1)OCO2,NA
-ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,NA
-OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,NA
-Nc1ccc2c(c1)cns2,TP
-[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,NA
-Sc1nc2c(s1)cccc2,NA
-N#CCC[C@](C#N)(CBr)Br,NA
-COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],NA
-COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,TP
-COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,FP
-CCOc1ccc(cc1)[N+](=O)[O-],NA
-NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,NA
-Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,NA
-ClCCN(C(=O)NC1CCCCC1)N=O,NA
-Cc1ccccc1N=Nc1ccc(cc1)N(C)C,NA
-[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],NA
-O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,NA
-Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,NA
-OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,NA
-O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,NA
-CCCC[C@@H](C(=O)O)CC,FP
-Cc1ccc(c(c1)C)OP(=O)(Oc1ccc(cc1C)C)Oc1ccc(cc1C)C,NA
-CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,NA
-COC(=O)c1ccc(cc1)C=O,NA
-CC(C1C(=O)N2C1SC(=C2C(=O)O)C1CCCO1)O,NA
-ClC1=CC(=O)C(C1=O)(Cl)Cl,NA
-O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,NA
-N#N=Nc1nc2c(n1C)cccc2,NA
-CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,NA
-CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,NA
-OC(=O)C(CC(=O)O)(CC(=O)O)O,TN
-O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],TP
-CCC(=O)/C=C/C1C(=CCCC1(C)C)C,NA
-c1ccc(cc1)NNc1ccccc1,NA
-CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,NA
-CCCN(CCC)CCC,NA
-O=C1NC(=O)C(=C(Cl)Cl)C1,NA
-NC(C(=O)O)C(C)C,NA
-CCCCCC(=O)OCC=C,NA
-Nc1cccc(c1)C(F)(F)F,NA
-COc1cc(ccc1NC(=O)C)[N+](=O)[O-],NA
-CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@H]2CC2([C@H]3[C@]1(C)CC[C@@H](C3)Br)S(=O)(=O)CCS2(=O)=O)C)C,NA
-CNS(=O)(=O)c1ccc(cc1)NC(=O)C,NA
-OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,NA
-O=NN(c1ccncc1)C,NA
-COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,NA
-CNC(=O)O/N=C\C(SC)(C)C,NA
-CC(=O)Nc1snc2c1cccc2,NA
-C=CCN(C1c2ccccc2-c2c(C1N1C3C1c1ccccc1-c1c3cccc1)cccc2)CC=C,FP
-[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,NA
-OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,NA
-Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],NA
-ClC/C(=C(\C(=O)O)/Cl)/C(=O)O,NA
-CCCNc1snc2c1cccc2,NA
-N#Cc1ccc2c(c1)nc(n2C)N,NA
-O=C(C1OC1)NCc1ccccc1,NA
-[O-][N+](=O)c1cncn1C,NA
-O=S1(=O)OCCCO1,NA
-OC(=O)Cc1ccc(cc1)Cl,NA
-Oc1cccc(c1)N(C)C,NA
-Nc1c2ccccc2cc2c1cccc2,NA
-[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,NA
-CCc1cccc(c1N)CC,NA
-[O-][N+](=O)c1cc2ccccc2cc1C,NA
-CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],NA
-OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,NA
-CCC(=O)NCc1ccccc1,NA
-ClC[C@H](Cl)C,NA
-OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,NA
-O=C1C=CC(=O)C1(Cl)Cl,NA
-CNC(=O)N(C(=O)NC)O,NA
-BrCC#N,NA
-[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,TP
-C/C=N\O,NA
-Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,NA
-O(CC1OC1)CCOCC1OC1,TP
-Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,NA
-[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,NA
-O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,NA
-CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)c1ccccc1,NA
-NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,NA
-OC1COC2(C1CC(=O)C2(O)Cc1cn(c2c1cccc2)C)O,TP
-CCC(=O)C(=O)CC,NA
-ClCCSCCCl,NA
-N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,TP
-CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,NA
-CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,NA
-CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,FP
-[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,NA
-Oc1cc2ccccc2c(c1)O,NA
-O=C/C(=C\c1ccccc1)/C,NA
-Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,TP
-Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,NA
-COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,NA
-COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,NA
-OC(=O)/C(=C(/C(=O)O)\C)/Cl,NA
-Clc1ccc(c(c1)C)O,NA
-CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,NA
-Fc1ccccc1C(=O)c1c(C)nn(c1N)C,TP
-C1C/C=C/CCC2C(CC/C=C\1)O2,NA
-[O-][n+]1cnc2c(c1N)[nH]cn2,NA
-CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,NA
-COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,NA
-Clc1ccc(c(c1)Cl)N,NA
-CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,NA
-CC(=C)C#N,NA
-CN,NA
-NCCc1c[nH]c2c1cccc2,NA
-CC1=Nc2c(C1(C)C)cccc2,NA
-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,NA
-BrC/C=C\CBr,NA
-CCCCN1C2C1c1ccccc1-c1c2cccc1,NA
-Clc1ccc2c(c1)nsc2N,TP
-CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,NA
-C[C@@H](ON=O)CC,NA
-CC(C(=O)Nc1ccccc1)C,NA
-[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,NA
-Clc1ccc(c(c1)N)Cl,NA
-[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,NA
-Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,NA
-CCOc1ccccc1OCC1CNCCO1,FP
-CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,NA
-COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,NA
-c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,NA
-OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],NA
-CCN([N+](=O)[O-])CCO[N+](=O)[O-],NA
-OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,FP
-Nc1cc(cc(c1O)Cl)[N+](=O)[O-],NA
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)C)O,NA
-Cc1cccc2c1cc1ccc3c(c1c2)cccc3,NA
-Cc1cc2CCCc2c2c1c1ccccc1cc2,NA
-CON(C(=O)Nc1ccc(cc1)Br)C,NA
-OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,TN
-[O-][N+](=O)c1ccc(c(c1)Cl)N,NA
-Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,NA
-Clc1cnc2c(c1)cccc2,NA
-COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,NA
-C1CCC2C(C1)CC1(CC2)CO1,NA
-Oc1ccc(cc1)C1Oc2c3C1C(=O)N1CCCCNCCCNC(c(c3)cc2)CC(=O)NCCC1,NA
-Oc1nnc(c(n1)O)C,NA
-Clc1ccc(c(c1)Cl)COC(=O)c1cccc2c1nccc2,NA
-OCC(C(C(C(C=O)O)O)O)O,NA
-Oc1cc2ccccc2c2c1cccc2,NA
-NCC1(C)CC(N)CC(C1)(C)C,FP
-OC(=O)CCCCCCCCC(=O)O,NA
-Nc1ccc(c(c1)N)O,NA
-O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,NA
-OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,NA
-CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,NA
-Cc1ccc2c(c1)nc([nH]2)N,NA
-Oc1ncc(cc1N)c1ccncc1,NA
-ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,FP
-[O-][N+](=O)OCCN([N+](=O)[O-])C,NA
-BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,TP
-Cc1ccc(c2c1ccc1c2cccc1)C,NA
-C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,NA
-CC(=O)[C@H](C(=O)Nc1ccccc1)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=N[C@@H](C(=O)Nc1ccccc1)C(=O)C,NA
-CNC(=O)N(c1nc2c(s1)cccc2)C,NA
-COC1=CC=CC=CC1,NA
-CC(N1C(=O)c2ccccc2NS1(=O)=O)C,NA
-CC(c1ccccc1)CN=N#N,TP
-ClCCN(P(=O)(O)N)CCCl,NA
-O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,NA
-CN(CCCNc1c2ccccc2nc2c1ccc(c2)[N+](=O)[O-])C,TP
-CCc1cccc2c1[nH]c1c2CCOC1(C)CC,NA
-O=Cc1ccccc1C,NA
-Oc1ccc2c(c1)oc(=O)cc2C,FP
-CS(=O)(=O)C,NA
-O=NN(C(=O)Oc1cccc2c1cccc2)C,NA
-O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],NA
-CCn1nc(C(=O)O)c(=O)c2c1cc1OCOc1c2,NA
-Oc1ccc(cc1)c1ccc(cc1C)N,NA
-Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,NA
-ClCc1c2ccccc2c(c2c1cccc2)C,FN
-OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,NA
-c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,NA
-CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],NA
-Cc1ccc(cc1)/C=C/c1ccc(cc1)N,NA
-[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],NA
-Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,NA
-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],NA
-ClC#N,NA
-c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,NA
-ClCSP(=S)(OCC(C)C)OCC(C)C,NA
-[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,NA
-CN(P(=O)(N(C)C)N(C)C)C,NA
-OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],NA
-Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,NA
-CC(=O)/C=C/c1ccco1,NA
-CNC(=S)N(C)C,NA
-Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,NA
-OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,TP
-O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,NA
-O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,TP
-OCC1OC(C(C1O)O)n1cnc2c1nc(O)nc2N,NA
-Cc1ccc2c(c1)nccc2,NA
-OC(=O)Cc1ccc(cc1)[N+](=O)[O-],NA
-OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,NA
-CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,NA
-O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,TP
-O=NN(C1OCC(C(C1O)O)O)c1ccc(cc1)C(=O)O,NA
-CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,NA
-NCCc1cc(O)c(cc1O)O,NA
-OC(=O)COc1ccccc1,NA
-CC(=O)OCC=C,NA
-[O-][N+](=O)c1ccccc1Br,NA
-CCSC(=O)N1CCCCCC1,NA
-COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,NA
-OCC1OC(CC1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],NA
-ClCc1ccc(cc1)C#N,NA
-ClCCOP(OCCCl)OCCCl,NA
-CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,NA
-Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,NA
-Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,NA
-CCS(=O)CCSP(=O)(OC)OC,NA
-COP(=S)(SCC(=O)N(C=O)C)OC,NA
-Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,NA
-[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,TP
-OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],NA
-COP(=S)(Oc1ccc(c(c1)C)N)OC,NA
-[O-][N+](=O)[CH-]C,NA
-O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],NA
-COc1ccc(cc1)C=O,NA
-c1cc2ccc3c4c2c(n1)ccc4ccc3,NA
-Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,NA
-Cc1cnc2c(c1)cccc2,NA
-COc1cc(N=Nc2ccccc2)ccc1N,NA
-[O-][N+](=O)c1c(C)ccc2c1cccc2,NA
-OCC([N+](=O)[O-])(CO)Br,NA
-OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],NA
-CCc1ccccc1O,NA
-OCC(=O)Nc1c(CC)cccc1CC,NA
-c1ccc2c(c1)c(OCC1CO1)ns2,NA
-CSCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCN=C(N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CO)CO,NA
-C1CCO1,NA
-CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,NA
-ClCC(=C)Cl,NA
-COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,NA
-CN(CC[C@@H](N(C)C)C)C,NA
-O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,NA
-CN(/C=N/c1ccc(cc1C)Cl)C,NA
-O=Nc1cccc(c1C)[N+](=O)[O-],NA
-[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,NA
-COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,NA
-Nc1[nH]nc(n1)N,NA
-Nc1ccc2c(c1)nc1c(c2)cccc1,NA
-CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,NA
-Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,NA
-CCCCCCCCCC,NA
-CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,NA
-NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,NA
-O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,NA
-BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,NA
-NCCNCCNCCNCCNCCN,NA
-O=C1CCCCCO1,NA
-Oc1cccc(c1)Cl,NA
-Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,NA
-O=Nc1cc2OCOc2cc1O,NA
-NC(=S)Nc1ccccc1,NA
-NCc1cccc(c1)CN,NA
-NCc1ccc(cc1)CN,NA
-CCCCC/C(=C/c1ccccc1)/C=O,NA
-OCCN(CC(=O)O)N=O,NA
-Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,NA
-CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,NA
-OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,NA
-C=CCc1ccc(c(c1)O)O,NA
-ClCC(=O)OC(C)C,NA
-Clc1ccc2c(c1)nc([nH]2)C,NA
-Oc1ccccc1,NA
-CC[C@H]([N+](=O)[O-])[C@H](O)C,NA
-OCC(CBr)(CBr)CO,FN
-Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],TP
-CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],NA
-NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,NA
-[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],NA
-[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,NA
-OCc1ccc(cc1)C#N,NA
-CCc1ccc(nc1)C,FP
-[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,NA
-[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],NA
-COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,NA
-[O-][N+](=O)/C=C/c1ccccc1,NA
-CC(=C)[C@@H]1CC=C(C(=O)C1)C,NA
-CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,FP
-OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,NA
-Fc1cnc2c(c1)ccc1c2cccc1,NA
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,NA
-CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,NA
-ClCC(CCl)O,NA
-NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,NA
-CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,NA
-CCCC(=O)Cl,NA
-COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,NA
-CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,NA
-Nc1nnc(s1)S,NA
-[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,NA
-Nc1c(C)n(n(c1=O)c1ccccc1)C,NA
-OC(C(Cl)(Cl)Cl)O,NA
-COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,NA
-O=NN(CC(=O)C)CC(=O)C,NA
-[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,NA
-ClCC(=O)Nc1snc2c1cc(Cl)cc2,NA
-Cn1ccnc1S,NA
-OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],NA
-OCC#CCO,NA
-OC(=O)CCc1ccccc1,NA
-O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,NA
-CN(N=O)CC,NA
-CC(COC(=O)CCCCC(=O)OCC(C)C)C,NA
-Oc1nc(O)nc(c1)C(=O)O,NA
-C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,TP
-COc1nsc2c1cc(OCC1CO1)cc2,NA
-CCN=[N+](CC)[O-],NA
-CCCC(=O)Nc1snc2c1cc(Cl)cc2,NA
-Clc1cccc(c1)C(F)(F)F,FP
-Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,NA
-ClC(=O)c1cccc(c1)[N+](=O)[O-],NA
-C=CCc1cc(OC)c2c(c1)OCO2,NA
-Nc1ccccc1SCSc1ccccc1N,NA
-O=NN(c1ccccn1)C,NA
-Nc1ccc2c(-c3ccccc3C2)c1,NA
-NCCCNCCCCN(N(N=O)O)CCCN,NA
-[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,NA
-ClC=C(C)C,NA
-CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,NA
-CCOCOCC,NA
-OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,FP
-C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,NA
-c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,NA
-CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,NA
-CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,NA
-OCCN(C(C)(C)C)CCO,NA
-BrCC1=C(Br)C(=O)OC1O,NA
-COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
-CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,NA
-CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,NA
-CCC1(C(=O)NCNC1=O)c1ccccc1,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,NA
-OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,NA
-O=NN1CCC[C@@H](C1)C,NA
-CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,NA
-CCOC(C)(C)C,NA
-OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,NA
-ClC(=O)Cc1ccccc1,NA
-CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,NA
-BrCC(=O)c1ccccc1,NA
-Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],TP
-ONc1ccccc1C,NA
-COc1cc(/C=C/C(=O)O)ccc1O,NA
-O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,NA
-Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,NA
-O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,NA
-C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,NA
-CCC(C)(C)C,NA
-c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,NA
-[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],NA
-OC[C@H](CN(C[C@H](O)C)N=O)O,NA
-CC(COC(=O)c1ccccc1N)C,NA
-COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,NA
-OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],NA
-COC(=O)C(Cc1ccc(cc1)Cl)N,NA
-c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,NA
-OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,NA
-Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,NA
-COc1ccc2c(c1)ccc(c2)CCC(=O)C,NA
-CC(COS(=O)(=O)C)C,NA
-[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,NA
-CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,NA
-Cc1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-CN([N+](=O)[O-])C,NA
-Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,NA
-OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,TP
-CCCCN(CC(OCc1ccccc1)CO)N=O,NA
-Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,TP
-OC1=C(O)C(=O)C1=O,NA
-ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,NA
-CC(=[N+]([O-])[O-])C,NA
-Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,TP
-ONc1cc[n+](c2c1cccc2)[O-],NA
-CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,NA
-[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],NA
-CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,TN
-[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,NA
-OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,NA
-ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,NA
-N#Cc1c(Cl)cccc1Cl,NA
-[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,NA
-O=NN1CCC[C@@H](C1)Cl,NA
-Cn1c(N)nc2c1cc1ccccc1c2,NA
-CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,TP
-CC(OC(=O)CC(=O)OC(C)C)C,NA
-Oc1ncnc(c1)O,NA
-Cc1ccccc1N=Nc1ccc(c(c1N)C)N,NA
-NS(=O)(=O)c1cccc2c1nccc2,NA
-OCc1ccc(cc1)C(F)(F)F,NA
-Clc1cc(Cl)c(c(c1)Cl)Cl,NA
-Sc1[nH]cnc2-c1ncn2,NA
-OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,NA
-Ic1cccc(c1)[N+](=O)[O-],NA
-COC(=O)c1ccc(cc1)C(=O)OC,NA
-NNc1nncc2c1cccn2,NA
-O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,NA
-NNc1ccccc1[N+](=O)[O-],NA
-Cc1c(N)cccc1Cl,NA
-CCCC(=O)C,NA
-OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,NA
-CC(=C)C1CCC2(C(C1)O2)C,NA
-O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,NA
-C/C=C/c1ccc2c(c1)OCO2,NA
-c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,NA
-CC1=CC[C@H]2C[C@@H]1C2(C)C,NA
-OC1C=Cc2c(C1O)c1cccnc1cc2,NA
-Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,NA
-O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,TN
-CN1CCN=N1,NA
-COCCCN,NA
-Clc1ccc2c(n1)cccc2,NA
-OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,NA
-CCCC(=O)Nc1snc2c1cccc2,NA
-CC1=CC[C@H](CC1)C(=C)C,NA
-O=C(C(=O)c1ccccc1)c1ccccc1,NA
-Nc1cccc2-c3c4c(-c12)cccc4ccc3,NA
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,NA
-OC(=O)COc1ccc2c(c1)cccc2,NA
-C=COC(=O)C=C,NA
-C1CCc2c(C1)cccc2,NA
-C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,NA
-CCCCCCCCCCCCCN1CC(C)OC(C1)C,NA
-Nc1ccc2c(c1)nccc2,NA
-[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,NA
-c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,NA
-BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,NA
-CCCBr,NA
-O=C1NCCN1c1ncc(s1)[N+](=O)[O-],NA
-Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,FP
-CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,NA
-NCCO,NA
-CCCCCCCCCCCCCCCCN,NA
-ONc1ccccc1c1ccccc1,NA
-COc1cc2nc3cc(N)ccc3nc2cc1N,TP
-Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,NA
-ONc1ncnc2c1ncn2Cc1ccccc1,TP
-Nc1nc2c(s1)ccc1c2cccn1,NA
-O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,NA
-COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,NA
-CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,NA
-Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,NA
-OC1C2OC2c2c(C1O)ccc1c2nccc1,NA
-OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,NA
-C1CN1c1nc(nc(n1)N1CC1)N1CC1,NA
-O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],NA
-CCCCCCC(=O)O,NA
-[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],NA
-OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,NA
-OC1c2ccccc2Oc2c1cccc2,NA
-CCN(c1ccc(c(c1)O)N=O)CC,NA
-COc1nsc2c1cccc2[N+](=O)[O-],NA
-CN1CCC=C2C1CCc1c2nc(s1)N,NA
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-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,NA
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-[O-][N+](=O)c1ccc(c(c1)N)O,NA
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-OC(=O)C1(N)CCCC1,NA
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-[O-][N+](=O)c1ccc2c(c1)NCC2,NA
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-C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,NA
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-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,NA
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-C=CC(=O)OCCOCCOC(=O)C=C,NA
-OCCCc1ccccc1,NA
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-[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],NA
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-CC[C@@H](NCCN[C@@H](CO)CC)CO,NA
-Nc1cc(N)c(cc1N=Nc1ccccc1C)C,NA
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-[O-][n+]1cccc(c1)C1CCC(=O)N1C,NA
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-[O-][N+](=O)c1ccc(c2c1cccc2)C,NA
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-[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,NA
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-Oc1nc(Cl)nc(n1)Cl,NA
-C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,NA
-OC1COC(=C(C1=O)O)C,NA
-Cc1ccc(c(c1)N)C,TP
-Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,NA
-ClCCNCCCNc1c2ccccc2nc2c1cccc2,NA
-Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,NA
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-O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,TP
-COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,NA
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-CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,NA
-CCC(OS(=O)(=O)C)C,NA
-ClSC(Cl)(Cl)Cl,NA
-n1ccc(cc1)c1ccccn1,NA
-O=C(c1ccccc1)OOC(=O)c1ccccc1,NA
-O=Cc1cccc(c1)[N+](=O)[O-],NA
-Cc1ccc(cc1)C(C)(C)C,NA
-O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,NA
-COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,NA
-COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,NA
-BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,TP
-[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,NA
-N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,NA
-C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,NA
-OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,NA
-CC(=O)CCl,NA
-O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,NA
-Cc1cccc(c1)[N+](=O)[O-],NA
-CN(CCC=C1c2ccccc2CCc2c1cccc2)C,NA
-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],NA
-BrCC1=C(Br)C(=O)OC1,NA
-ONc1cnc2c(c1)nc1n2cccc1,NA
-Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],NA
-CC(C#N)C=C,NA
-O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,NA
-O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,NA
-Nc1cccc2c1c1ccccc1cc2,NA
-Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,NA
-CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,NA
-[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],NA
-O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,TP
-Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,NA
-O/N=C(/c1ccc(c(c1)O)O)\N,NA
-O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,NA
-CC(=O)Nc1ccc(c(c1)N)C,NA
-c1cnc2c(c1)CCC1C2O1,NA
-CCOP(=S)(OCC(C)C)SCCl,FP
-OC(=O)CNCP(=O)(O)O,NA
-C(C1OC1)Cc1ccccc1,NA
-OC(=O)c1ccc(cc1)C,NA
-NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,NA
-ClCCC(CBr)Br,NA
-OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,NA
-COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],NA
-CCOc1ccc(cc1)N=O,NA
-O/N=C/C1N(CCN(C)C)C=CN1C,NA
-ClC[C@@H](CBr)Cl,FN
-CC(c1ccccc1)Br,NA
-O=Cc1ccccc1Cl,FP
-CCCCCCCCCCCCN(N=O)C,NA
-CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,NA
-Nc1ccc(c(c1)[N+](=O)[O-])C,NA
-ClC[C@H]1CO1,NA
-CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,NA
-COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,NA
-COC(=O)C(=C)Cl,NA
-CNC(=O)ON(C(=O)NC)C(=O)NC,NA
-COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,NA
-ON1C(C)(C)CCCC1(C)C,NA
-c1cnc2c(c1)c1CCC3C(c1cc2)O3,NA
-Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,NA
-CCCCOCCO,FP
-CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,NA
-Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,NA
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+Sc1nc2c(s1)cccc2,FP
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+CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,NA
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+CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,NA
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+OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,TN
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+COc1nsc2c1ccc(c2)OCC1CO1,TP
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,TP
+Cc1ccnc2c1cccc2,TP
+CCN(c1ccc(cc1)N=Nc1cccnc1)CC,TN
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+[O-][N+](=O)c1ccc(c2c1cccc2)C,TP
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COc1ccc2c(c1OC)nc1c(c2OC)CCO1,TP
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-CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,NA
-CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,NA
-Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,NA
-Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],NA
-O=c1ccc2c(o1)cc1c(c2)cco1,FP
-COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],TP
-Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
-COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,TP
-CCCCN(N=O)CCCC,NA
-COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,NA
-COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,NA
-CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,NA
-COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],NA
-Nc1ccccc1c1ccccc1,NA
-CCc1ccc(cc1)C,NA
-Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],NA
-Fc1ccc2c(c1)c1ncccc1cc2,NA
-OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,NA
-[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,NA
-N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,NA
-Oc1cc(O)c2c(n1)cccc2,NA
-O=C(Nc1ccccc1)Nc1ccccc1,NA
-Cc1ccc2c(c1)nc(n2C)N,NA
-CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,NA
-OC(=O)CBr,NA
-Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,NA
-OCCC#N,NA
-[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],NA
-CN(C(=O)Cl)C,NA
-ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,NA
-Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,NA
-CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,TP
-[O-][n+]1ncc2c(c1)cccc2,NA
-CCC(C(=O)NC(=O)N)(CC)Br,NA
-CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,NA
-CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,NA
-OCCCN(N=O)CC,NA
-Nc1ccn(c(=O)n1)CC(CN=N#N)O,NA
-C=Cc1ccc(cc1)C,NA
-O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,NA
-[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,NA
-Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,FN
-Cc1ccc2-c3c([C@H](c2c1)C)cccc3,NA
-Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,NA
-COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,FP
-[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,NA
-O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],NA
-OCCCBr,NA
-CCCOC(=O)C(=C)C,NA
-Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,NA
-CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,NA
-[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],NA
-CCC(c1ccc(cc1)O)(C)C,NA
-ClC(=C(Cl)Cl)Cl,NA
-OC(=O)C(Cn1cncc1)N,NA
-CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,NA
-c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,NA
-Cc1c2ccccc2cc2c1cccc2,NA
-CCCCOC(=O)CCCCCCCCC(=O)OCCCC,NA
-O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,NA
-C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,NA
-CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,NA
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,TN
+Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
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+CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,TN
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+[O-][N+](=O)NC(=N)N(N=O)CCCCCC,TP
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,TP
+Cl[C@H]1O[C@H]1CBr,TP
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,NA
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,TN
+[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,FP
+Nc1sc2c(n1)cc(c(c2)Cl)Cl,TN
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+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,TN
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+Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
+C/C=C\C=C,TN
+CC1=CC(O)C2CC1C2(C)C,TN
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,TP
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,TP
+O[C@H]1C[C@@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C(C)C)O)C)C)/C1,TN
+c1ccco1,TN
+OC(=O)c1c(Cl)cccc1Cl,TN
+NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,NA
+Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,TN
+OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,TP
+[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,FN
+CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,FP
+COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,NA
+CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,TP
+OCC[C@H](CCC=C(C)C)C,TN
+CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],TP
+CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,TN
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+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,TP
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+C[C@H](C(=O)N)Br,FN
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+COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,TP
+NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,FN
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+[O-][n+]1cccc2c1cccc2,FP
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+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,TP
+O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,TN
+Oc1nncc2c1cccc2,FP
+OC(COc1cccc2c1OCC(C2)O)CNC(C)C,TN
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+Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,TP
+Nc1ccc2c(n1)cccc2,TP
[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,TP
-CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,NA
-CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,TP
-ClC(=O)c1ccccc1C(=O)Cl,NA
-CCc1cccc2c1nccc2,NA
-O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,TP
-O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,FP
-Nc1ccc(c(c1)Cl)C,NA
-[O-][N+](=O)c1ccc2c3c1cccc3CC2,NA
-Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,NA
-CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],NA
-COc1c2cccc(c2nc2c1cco2)O,NA
-OC1C=CC=CC1O,NA
-Oc1ccc(cc1)C(c1ccccc1)(C)C,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,NA
-Ic1cc(Cl)c2c(c1O)nccc2,NA
-Fc1cccc(n1)F,NA
-Oc1ccc2c(c1)[nH]c1c2ccnc1C,NA
-Oc1ccc(c(c1)C)Cl,NA
-CCCCN(CC(=O)CC)N=O,NA
-Oc1ccc(cc1)c1ccc(cc1)O,NA
-c1ccc(cc1)c1ccccc1OCC1CO1,NA
-COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,TP
-COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,FP
-OCc1ccc(cc1)Br,NA
-OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,NA
-ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,NA
-Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,TP
-Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,NA
-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],NA
-O=Nc1ccc(cc1)Sc1ccccc1,NA
-c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,NA
-OCC(CO)(CO)CO,NA
-CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,NA
-CC(CC(O)C)C,NA
-Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,NA
-Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,NA
-COc1cc2c(cc1OC)nc1c(c2OC)cco1,NA
-CCCOO,NA
-COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,NA
-OCCCCN(N=O)C,NA
-CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,NA
-[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,NA
-Cc1ccc(c(c1)O)C(C)C,NA
-CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,NA
-CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,NA
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,NA
-NNc1nncc2c1cccc2,NA
-ClCCOC(=O)C=C,NA
-Cc1nccnc1C,NA
-CNc1ccccc1N,NA
-[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,NA
-BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,NA
-ClCCN[P@]1(=O)OCCCN1CCCl,NA
-CCOC(=O)CNC(=O)CBr,NA
-Cc1c(C)cccc1O,NA
-CC[C@@H](CN)O,NA
-Clc1ccc(cc1)CC1OC1,NA
-COC(=O)CC(=O)C,NA
-CCN1CCN=N1,NA
-N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,NA
-c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,NA
-OC(=O)CCCOc1ccc(cc1Cl)Cl,NA
-CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,NA
-CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,NA
-CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,NA
-CC([N+](=O)[O-])(Cl)C,NA
-O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],TP
-CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,NA
-Nc1ccc(cc1)S(=O)(=O)N,NA
-Nc1ccccn1,NA
-CCc1cccc(c1N)C,NA
-OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],NA
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,TN
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,TP
+Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TP
+Nc1ccc(c(c1)Cl)C.Cl,FP
+CN(CCN(c1ccccn1)Cc1cscc1)C,TN
+c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,FP
+CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,FP
+C=CCC[C@H]1CO1,FN
+COc1nccc(c1S(=O)(=O)O)C(F)(F)F,TN
+Brc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
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+Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,TP
+OC1C=Cc2c(C1O)ccc1c2nccc1,FN
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+O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,TN
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,TP
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,TP
+COc1nsc2c1cccc2N,TP
+ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,FP
+O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,TP
+O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,TP
+CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,NA
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,TN
+CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,TN
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+O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,TN
+[O-][N+](=O)[CH-]CCC,FP
+COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,TN
+BrC(C1=C(Cl)C(=O)OC1O)Br,TP
+CCCCN=NC(OO)(C)C,TP
+Nc1ccc2c(c1)nc1c(n2)cccc1,TP
+COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,TN
+C=CCN1C2C1c1ccccc1-c1c2cccc1,TP
+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,TP
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,FP
+CC(=O)OCN(N=O)CCCl,TP
+CCCCCCCCCCCCO,TN
+CC(=O)Nc1ccc2c(c1)cccn2,FN
+[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],TP
+OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],TP
+CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,TN
+NCCS,TN
+ClCC1=C(Cl)C(=O)O[C@H]1O,TP
+OC(=O)CCC(=O)O.[Na+].[Na+],TN
+NS(=O)(=O)c1cccc2c1nccc2,TN
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,TP
+O/N=C/C1N(CCN(C)C)C=CN1C,TN
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+OC1C=Cc2c(C1O)ccc1c2cccc1,TP
+N#Cc1ccc(cc1)C1(C)OC1,TP
+NCCNCCO,FN
+CCCCN(CCCCO)N=O,TP
+C[N+]1(C)CCCCC1.[Cl-],TN
+OCC(Cl)(Cl)Cl,TP
+Fc1cccc2c1cccn2,TP
+Oc1c2ccccc2nc2c1cccc2,FP
+Clc1ccc(cn1)Cl,TN
+O[Cl](=O)(=O)=O.C[N+]1=CC=C(CC1)c1ccccc1,TP
+Fc1cccc2c1nccc2,TP
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,TP
+Brc1ccccc1,TN
+OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,TN
+[O-][N+](=O)c1ccccc1Cl,FN
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+[O-][N+](=O)c1ccccc1C(=O)Cl,TP
+O=C1NS(=O)(=O)c2c1cccc2,TN
+CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,TN
+CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,TN
+BrC[C@H](c1ccccc1)Br,FN
+OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,TP
+Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+OC(CN=[N+]=[N-])CN=[N+]=[N-],TP
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,TP
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,TP
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,TP
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,TN
+OCCCCCCCCCCCCCCCCCC(=O)O,TN
+COc1ccc(cc1)CNC(=O)[C@H](Br)C,TP
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,TP
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,TP
+OC(=O)C(CC(=O)O)CC(=O)O,TN
+O=Nc1ccc2c(c1)cccc2,TP
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,TP
+CN=NO,TP
+COc1cc(CNC(=O)C(Br)C)ccc1OC,TP
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,TN
+OC(=O)/C=C\C(=O)O,TN
+OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O.[Na+].[Na+],FN
+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,TP
+CCCCOC(=O)c1ccccc1C(=O)OCCCC,TN
+[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,TP
+CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],TP
+O=Cc1ccc(cc1)Cl,TN
+CC(C(C)C)C,TN
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+Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,TN
+COc1nncc2c1cccn2,TN
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+CCCCCCCCCCSCn1cc[n+](c1)C,FN
+CC[N+](=NC)[O-],TN
+CCC(Nc1snc2c1cccc2)C,TN
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,TN
+C[C@@H]1CC[C@H](C(=O)C1)C(C)C,FN
+C=Cc1ccccn1,TN
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,FN
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,TP
+CCCBr,FP
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,TN
+Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],NA
+COc1cc(ccc1N)c1ccc(c(c1)OC)N.Cl.Cl,TP
+OCc1c2ccccc2c(c2c1cccc2)C,TP
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,FN
+Cc1c(C)c(Br)c(c(c1Br)Br)Br,TN
+OC(=O)/C=C/C(=O)CC(=O)C,TN
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+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,TP
+COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,TP
+C=CC(=O)OCCCCCCOC(=O)C=C,TN
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,TN
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,FP
COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,TP
-ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,NA
-CCN(c1ccccc1)N=O,NA
-O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,NA
-ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,NA
-NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,NA
-Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,NA
-CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,NA
-CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,NA
-CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,NA
-CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,NA
-OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,NA
-OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
-COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,NA
-CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,NA
-Nc1ccc2c(c1)scn2,NA
-CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,NA
-OCc1cccc2-c3c4c(-c12)cccc4ccc3,NA
-O=NN(C(=O)N)CCCC(=O)O,NA
-c1ccc2c(c1)snc2,NA
-O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,NA
-CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,NA
-Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,NA
-CCCCN(CC(=O)C)N=O,NA
-NCC(=O)O,NA
-CCCCCCCCCCCC(=O)C,NA
-OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,FP
-COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,NA
-Nc1nc2c(n1C)c(C)cc1c2nccn1,NA
-O=C1CC(=NN1c1ccccc1)C,NA
-CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,NA
-C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,NA
-O=C1CCc2c1c1ccc3c(c1cc2)cccc3,TP
-CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,NA
-Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,NA
-C1CCC=CC1,TN
-O=C(C1(C)OC1)NCc1ccccc1,NA
-Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,NA
-O=C(Nc1ccc(cc1)C)CC(=O)C,NA
-COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,NA
-C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,FP
-C=CCOC(=O)C=C,FP
-ClC(=O)c1ccccc1F,NA
-C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,NA
-Nc1ccc2c(n1)no[n+]2[O-],NA
-Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],FP
-Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,NA
-CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,NA
-CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,NA
-O=CN(C)C,NA
-S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],NA
-Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],NA
-COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,NA
-CCN(N=O)C=O,NA
-ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,NA
-O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,NA
-O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,NA
-CC(=C)c1ccccc1,NA
-OC(=O)Cn1c(C)ncc1[N+](=O)[O-],NA
-CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,NA
-CCCCOC(=O)C(=C)C,NA
-COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,NA
-O=C1C=CC(=O)C(=C1)C,NA
-ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,NA
-C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,NA
-OC1CC2C(C1(C)CC2)(C)C,NA
-Cc1cc2c(NC(=O)CCl)snc2cc1,NA
-ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,NA
-COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,NA
-CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,NA
-O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,TP
-COc1c(OC)c2occc2c2c1ccc(=O)o2,NA
-OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,NA
-N#C[Se]Cc1ccccc1,NA
-C=COc1ccc(cc1)[N+](=O)[O-],TP
-CCC(=O)N(c1ccc2c(c1)cccc2)O,NA
-COC=O,NA
-Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,NA
-[O-][N+](=O)c1ccc2c(c1)cns2,NA
-CCOC(=O)[C@@H](O)C,NA
-COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,NA
-NC(=O)NCC=C,NA
-CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,NA
-ClC(c1ccccc1)Cl,NA
-c1ccc2c(c1)c(CCC1CO1)ccc2,NA
-O=NN1CCC(=O)CC1,NA
-Cc1ccnc2c1cccc2,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,NA
-NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,NA
-CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,NA
-C[N+]1(C)CCOCC1,NA
-CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,NA
-OCC=O,NA
-O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,NA
-OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,NA
-[O-][N+](=O)c1cc(C)c2c(c1)cccc2,NA
-O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,NA
-O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],NA
-O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,NA
-CC(C(=O)O)Cl,NA
-CC(=C)C(=O)OCC(C)(C)C,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,NA
-COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],TP
-C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,NA
-CC1(OC1)c1ccc(cc1)Cl,NA
-C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,NA
-O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-CCCC[C@H](CNC[C@@H](CCCC)CC)CC,NA
-CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,NA
-CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,NA
-[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,NA
-CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,NA
-CC(Cc1nccs1)C,NA
-[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,NA
-BrCC(=O)Nc1ccccc1,NA
-Nc1[nH]cc2-c(n1)ncn2,NA
-OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,NA
-COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,NA
-OCC(=O)N(c1ccc(cc1)Cl)O,NA
-O=C/C=C/c1ccc(o1)[N+](=O)[O-],NA
-NC(C(=O)O)CSCCCl,NA
-Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,NA
-OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,NA
-CCOCC=O,NA
-Br/C=C/Br,NA
-Brc1cccc(c1)c1ccccc1,FP
-c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,NA
-[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,NA
-O=C/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],NA
-ClC/C=C\Cl,NA
-S=c1ssc(c1C)c1cnccn1,NA
-N#N=Nc1nc2c(n1C)c1cccnc1cc2,NA
-COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,NA
-[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,NA
-CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,NA
-OC(=O)CC(C(=O)O)N,NA
-BrCCCBr,NA
-CC(=O)C=C,NA
-O=C1CC=C(O1)C,TN
-NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccc(c(c1)N)C,NA
-OCC(C(=O)O)N,NA
-OCC(=O)O,NA
-COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,NA
-C1CCOCO1,NA
-Cc1ncc(nc1)C,NA
-Clc1cc2ccccc2c2c1cccc2,NA
-c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,TP
-C/C=C/c1ccc(cc1)OC,NA
-[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,NA
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,FP
-CN(c1nc2c(n1C)ccc1c2cccn1)C,NA
-CN(CCCN1c2ccccc2CCc2c1cccc2)C,NA
-Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],NA
-c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,NA
-CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,NA
-C=CC(=O)OCCCCCC(C)C,NA
-O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],NA
-Cc1ccc2c(c1)ccc1c2cccc1,NA
-OCc1ccc(cc1N)[N+](=O)[O-],NA
-Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,FP
-COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,NA
-CCC(CC(CC(Cl)C)Cl)Cl,NA
-Brc1cc2cccnc2c(c1)C(=O)O,NA
-[O-][N+](=O)NC(=N)N(N=O)CCCCC,NA
-CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,TP
-OOC1(C)c2ccccc2-c2c1cccc2,NA
-Clc1nc2ccccc2nc1Cl,FP
-OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,NA
-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],TP
-CNc1snc2c1cccc2,NA
-O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,NA
-[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,NA
-CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,NA
-O=NN(c1ncn(c1C(=O)NC)C)C,NA
-COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,NA
-OC(=O)C/C(=C/C(=O)O)/C(=O)O,NA
-OC1C=Cc2c(C1O)nccc2,NA
-OC1C=CC2C(C1O)O2,NA
-O=C1C(=O)C2(C(C1CC2)(C)C)C,NA
-Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,NA
-ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,NA
-ClC(C(=O)C)Cl,NA
-C[C@H](CN(C[C@H](O)C)N=O)O,NA
-O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,NA
-CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],NA
-CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,TP
-OC1OC(=O)C(=C1C)Cl,NA
-c1ccc2c(c1)[nH]c1c2ccnc1,NA
-N[C@@H](C(=O)O)CS,NA
-ClCc1cccc(c1)[N+](=O)[O-],NA
-CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,NA
-O=CCC(c1ccc(cc1)C(C)(C)C)C,FP
-O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,NA
-CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,NA
-O=C/C(=C/c1ccccc1)/Br,NA
-COC(=O)CCCCC(=O)OC,NA
-OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,NA
-CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,NA
-Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],NA
-Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,NA
-O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,NA
-Cc1cc2ncccc2c2c1n(C)c(n2)N,NA
-Clc1cc(Cl)nc(n1)Cl,NA
-[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,NA
-CCOc1ccccc1[N+](=O)[O-],TP
-c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,NA
-C=C[C@H]1CO1,NA
-S=C(NC1CCCCC1)NC1CCCCC1,TN
-CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,NA
-CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,NA
-Oc1ccc(cc1N)S(=O)(=O)O,NA
-CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,NA
-CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,FP
-ON=C,NA
-Clc1cc(Cl)c2c(c1O)nccc2,NA
-OCCc1c(nc(n2c1ncn2)N)c1ccccc1,NA
-Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,NA
-ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,NA
-Nc1ccc2c(n1)c1ccccc1cc2,TP
-ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,NA
-C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,NA
-N#Cc1ccc2c(c1)n(C)c(n2)N,TP
-N#Cc1cc(Br)c(c(c1)Br)O,NA
-CC(N(C(C)C)N)C,NA
-CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,NA
-C=C1CC(=O)O1,NA
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,NA
-CCCC[C@H](COCCCN)CC,NA
-OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],NA
-O=NN(C(=O)c1c(NC)ncn1C)C,NA
-C[Si](O)(C)C,TN
-[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],NA
-COc1cc(ccc1N)c1ccc(c(c1)OC)N,TP
-CCOc1ccc(cc1N)N,NA
-[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],NA
-O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,NA
-Cn1c(N)nc2c1cc1cnccc1n2,NA
-c1ccc(nc1)c1cccnc1,NA
-CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,NA
-COC(=O)c1ccc(cc1)CN(N=O)C,NA
-O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,NA
-O=C1CCC(N1C)c1cccnc1,FP
-Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,NA
-OC(=O)CCC(=O)O,NA
-Nc1cc(Cl)c(c(c1)Cl)Cl,NA
-CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,NA
-CN1CCN(CC1)C,NA
-O/N=C(/c1cc(O)c(c(c1)O)O)\N,NA
-CNC,NA
-Brc1c(C)c(Br)c(c(c1Br)Br)Br,NA
-[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,NA
-OCCCN=N,NA
-CC=O,NA
-OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,NA
-c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,NA
-OCC#C,NA
-[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],NA
-OCCCCN(CCO)N=O,NA
-[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,NA
-OCC(Cc1ccccc1)CN=N#N,NA
-Brc1ccc2c(c1)C=CC1C2CCCC1,FP
-Cc1nsc(c1)N,NA
-CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,NA
-OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,NA
-O=NN(c1ccccc1)c1ccccc1,NA
-S=C1SSC2=NCCN12,NA
-COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,NA
-Cc1ccc(cc1)CC1OC1,NA
-O=C1CCCCCN1,NA
-Nc1nc2c(n1C)ccc1c2cccn1,NA
-CN(N=O)C[C@H](O)C,NA
-Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],NA
-C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,TP
-OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,NA
-CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,NA
-ClCCOC/C(=C\Cl)/Cl,NA
-O=Cc1cccc(c1)c1ccccc1,NA
-CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,FP
-COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,NA
-COC(=O)CC(=O)OC,NA
-Clc1ccc(c(c1)N)O,NA
-Nc1sc2c(n1)cc(c(c2)C)C,NA
-SCC(C(=O)O)NC(=O)C(S)(C)C,NA
-c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,NA
-Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,FP
-Cc1nc2c(nc1C)ccc1c2nc(n1C)N,NA
-[O-][N+](=O)c1ccccc1N,NA
-c1ccc[nH]1,NA
-FC(I)(F)F,NA
-Cc1nc2c(nc1C)ccc(c2C)N,NA
-COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,NA
-[O-][N+](=O)c1cc(N)c(c(c1)N)C,NA
-O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,NA
-N#Cc1cc(c2ccncc2)c(nc1O)C,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,FN
-OCc1ccc(cc1)NNC(=O)C,NA
-Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,NA
-CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,NA
-Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,NA
-NNc1ccc(cc1)[N+](=O)[O-],NA
-CC[C@H]([C@@H](CO)C)C,FP
-[O-][n+]1ncc2c(c1)cccn2,NA
-Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,TP
-[O-][n+]1cccc2c1C=CC1C2O1,NA
-Cl/C=C\Cl,NA
-CC(=O)Nc1cccc(c1)O,NA
-O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,NA
-Oc1ccc(cc1)/C=N/c1snc2c1cccc2,NA
-O=Nc1ccc(cc1)C(=O)C,NA
-OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,NA
-OOC(c1ccccc1)(C)C,NA
-Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,TP
-OC(=O)CN(CC(=O)O)CC(=O)O,NA
-COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,NA
-C[C@@H](c1ccccc1)CCc1ccccc1,NA
-Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,NA
-CS(=O)C,NA
-CNC(=O)c1ccccc1,FP
-O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],NA
-COCCOC,NA
-Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,NA
-COP(=O)(O)O,NA
-CCCCOC(=O)C,NA
-ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,NA
-OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,NA
-ClCc1ccc(cc1)OC,FP
-ClC(C(=O)C(Cl)Cl)Cl,NA
-O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],FP
-CC[C@H]1CO1,NA
-Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,NA
-C=CN=Nc1ccccc1,NA
-CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,NA
-CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,NA
-Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,NA
-O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,NA
-Oc1ccc(c(c1)O)O,NA
-CNC=O,TN
-Fc1cccc2c1ccc1c2nccc1,NA
-OCC1OC(CC1O)n1cc(O)c(nc1=O)N,NA
-O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],NA
-CC(C(=O)NCc1ccccc1)NCc1ccccc1,NA
-O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,NA
-[O-][N+](=O)c1ccc(c(c1)C)C,NA
-Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,NA
-COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,NA
-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,NA
-O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],NA
-Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,NA
-C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,NA
-OC(=O)C1OC(O/N=C(/c2ccccc2)\N)C(C(C1O)O)O,NA
+COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,TP
+OC(=O)[C@@H](CCl)Cl,FP
+O=Nc1ccc(cc1)C(=O)C,TP
+NC(C(=O)O)Cc1ncn[nH]1,TN
+C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,TN
+COC(=O)C1=C(CC)[C@@H](OC1=O)C,TP
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,TP
+COc1ccc(cc1)O,FP
+BrCC(CBr)Br,TP
+CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,TN
+O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],TN
+OC(=O)[C@H](O)C.[Na+],TN
+O=NN(c1ccccc1)O,FN
+CN(CCN(c1ccccn1)Cc1ccccc1)C,TN
+NCC(=O)O.Cl,TN
+Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
+COc1ccc(cc1)CC=C,TN
+CCN(N(N=O)O)CC,TP
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,TP
+COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
+CCCCCOc1ccc(cc1)N=O,TP
+C[C@H](CNC[C@H](O)C)O,TN
+CC1=CC[C@H](CC1)C(O)(C)C,TN
+BrCC(=C)Br,TP
+O=NN1CCN(CC1)N=O,TP
+CC(Oc1ccc(cc1)Nc1ccccc1)C,TN
+C/C=C/C,TN
+CC(OC[C@@H]1OC1)(C)C,FN
+OCc1ccc2c3c1-c1ccccc1-c3ccc2,TN
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,TP
+O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,TN
+COc1cc(N)ccc1C,TP
+OC(=O)c1ccccc1C,TN
+ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,TN
+O[C@H]1C=CC=C[C@@H]1O,FN
+CCCC[C@H](COC(=O)C=C)CC,TN
+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,TN
+CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,TN
+CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,TN
+COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,TN
+c1ccc2c(c1)occ2,TN
+OC(=O)CC[C@@H](C(=O)O)N.O.N,TN
+Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TP
+Nc1nc2c(n1C)ccc1c2nccc1,TP
+CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,TN
+N#CC(N=NC(C#N)(C)C)(C)C,TN
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,TP
+c1ccc2c(-c3ccccc3C3C2N3)c1,TP
+O=S1(=O)CC=CC1,TN
+CCCCCl,FP
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-[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],NA
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+c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,TP
+Ic1ccc2c(c1)c(N)c1c(n2)cccc1,NA
+O1CCOCCOCCOCCOCCOCCOCC1,TN
+NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,TN
+Cc1ccc(cc1)[N+](=O)[O-],FP
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+[O-][N+](=O)[C@@H](CO)C,TN
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+[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],TP
+Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,TP
+c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,TP
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,TP
+[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,TP
+OCCCl,TP
+O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,TP
+Nc1nc(nc(n1)O)NC(C)(C)C,TN
+CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,TN
+CCOC(=O)NNc1nncc2c1cccc2,NA
+Clc1ccc(c(c1)N)C,FP
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+O=NN1CCCC1,TP
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,TP
+OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],TP
+OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,FN
+O1CCOCCOCCOCCOCC1,TN
+O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,TP
+Nc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
+O=Nc1ccccc1c1ccccc1,TP
+CCCC(=O)OCC,TN
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+OCCNCCO,FP
+CC1CS1,TN
+CC(C(=O)O)Cl,TN
+CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,TP
+CCCCNCCCC,TN
+Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+c1ccc2c(c1)nc1c(c2)cccc1,TP
+[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],TP
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+CCCCC/C(=C/c1ccccc1)/C=O,TN
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+OC(=O)C(Cl)(Cl)Cl,TN
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+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,TP
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+OC(=O)COc1ccc(cc1)Cl,TN
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+CCOS(=O)(=O)c1ccc(cc1)C,TP
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+BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,FP
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CC(CC1NC(=O)CNC1=O)C,NA
-c1ccc(cc1)/C=C/c1ccccc1,NA
-[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,NA
-Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],NA
-Brc1c(O)c(Br)c(c(c1Br)Br)Br,NA
-C[C@H](COC(C)(C)C)O,NA
-O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,NA
-O=NN1CCCCCCC1,NA
-Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,NA
-O=C1NC(=O)NC(=O)C1(O)O,NA
-OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,NA
-CC[C@H]([N+](=O)[O-])CO,NA
-ClCCNc1ccc(cc1)CCCC(=O)O,NA
-Cc1ccc(cc1)Cl,NA
-OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,NA
-Fc1cc2cccnc2c2c1cccn2,NA
-Cc1cc(C)c2c(c1N)nsn2,NA
-ONc1cccc(c1)c1ccccc1,NA
-Nc1ccc2c(c1S(=O)(=O)O)cccc2,NA
-OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,NA
-OC(=O)CCCc1c[nH]c2c1cccc2,NA
-C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,NA
-Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],NA
-Clc1cc(Cl)c(c(c1)Cl)O,NA
-Cc1ccco1,NA
-C=CCNCC=C,NA
-[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,NA
-OC1COC(C(C1O)O)Nc1ccc(cc1)C(=O)O,NA
-O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,FP
-CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,NA
-CC(=O)c1ccc[nH]1,NA
-COc1cc(N)c(cc1N)OC,TP
-c1ccc2c(c1)Sc1c(O2)cccc1,NA
-[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,NA
-COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,NA
-C=Cc1cccnc1,FP
-O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,NA
-Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,NA
-OCCSN=O,NA
-O=NN1CCNC1=O,NA
-CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,NA
-C/C=C/Cl,NA
-Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,NA
-[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,NA
-c1ccc2c(c1)c1sc3c(c1cc2)cccc3,NA
-[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],NA
-c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,NA
-CC([N+](=O)[O-])C,NA
-OCC(COP(=O)(O)O)O,NA
-O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,NA
-CCN(N=O)CC,NA
-CC(=O)c1ccc(cc1)[N+](=O)[O-],NA
-COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,NA
-COC12OOC2(C)Oc2c1cccc2,NA
-COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,NA
-O=NN(C(=O)N)C[Si](C)(C)C,NA
-BrCC(CBr)Cl,NA
-Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],NA
-CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,NA
-OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,NA
-O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,NA
-CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-C1COC1=O,NA
-NC(=O)c1ccccc1O,NA
-CC1CCN(CC1)N=O,NA
-C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,NA
-CC(OC[C@@H]1OC1)(C)C,NA
-Clc1ccc(c(c1)Cl)C(=O)Cl,NA
-Cc1ccc(c(c1)C)O,NA
-CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,NA
-NCCCCCCCCCCC(=O)O,NA
-NCCCl,NA
-[O-][n+]1cccc2c1c(O)ccc2,NA
-CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,NA
-Cn1cnc2c1c(=O)[nH]c(=O)n2C,NA
-CC(CC(=O)Nc1ccc(cc1)O)O,NA
-OC(=O)c1ccc(cc1)[N+](=O)[O-],NA
-OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,NA
-O=C1CCCCC1=O,NA
-CCC/C=C/C=O,NA
-[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,NA
-OC(=O)C(CCl)Cl,NA
-C=CC=O,NA
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,NA
-CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,NA
-OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,NA
-O=C1OCCN1P(=O)(N1CCOC1=O)Cl,NA
-ClC1=C(Cl)C(=O)OC1,TP
-Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],NA
-NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,NA
-COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,NA
-COC(=O)c1ccco1,NA
-OCc1ccc(cc1)O,NA
-CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,NA
-c1ccc(nc1)c1cccc(n1)c1ccccn1,NA
-Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,NA
-Clc1ccc(cc1)S(=O)(=O)C,NA
-C[n+]1cccc(c1)OC(=O)N(C)C,NA
-CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,NA
-c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,NA
-C=CC#N,NA
-COC(=O)Nc1nc2c([nH]1)ccc(c2)O,NA
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,NA
-CCN(c1ccc(cc1)N=Nc1ccccc1)CC,NA
-CCOCCOC(=O)/C=C\c1ccc(cc1)OC,NA
-Nc1nc2c([nH]1)cccc2,NA
-OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,FP
-O=C(OC(C)(C)C)CN=N#N,NA
-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,NA
-[O-][N+](=O)c1cccc(c1N)N,NA
-CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,TP
-OC[C@@H]1CO[C@H](O1)[C@@H](I)C,NA
-Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,NA
-O=C1C2OC2C2c3c1c(O)ccc3C1c3c2ccc(c3C(=O)C2C1O2)O,NA
-CCCCCCOC(=O)C(=C)C,NA
-CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,NA
-O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,FP
-Nc1ccc(cc1)Br,NA
-[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,NA
-Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,NA
-Nc1cc2c(c3c1cccc3)ccc1c2cccc1,NA
-CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,NA
-NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,NA
-Cc1ccccn1,NA
-Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,NA
-CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,NA
-Cn1c(N)nc2c1cc(cn2)c1ccccc1,NA
-Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,NA
-CNCCCC(=O)O,NA
-O=C/C=C\c1ccccc1,NA
-ClC(Cl)(Cl)Cl,NA
-OC/C=C/c1ccccc1,FP
-O=C1CCCO1,NA
-Cc1ccc2c(c1C)c1ccccc1cc2,NA
-OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,FP
-Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,NA
-[O-][N+](=O)NC,NA
-CC(=CCC1CCCC1=O)C,NA
-Fc1ccc2c(c1F)cccn2,NA
-Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,NA
-CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,NA
-Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,NA
-O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,NA
-ClCCSCc1ccccc1,NA
-ONc1cc(C)cc(c1)C,NA
-Fc1cnc2c(c1)c(N)ccc2,NA
-ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,NA
-C1CNCCO1,NA
-Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,NA
-O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
-S=C=Nc1cccc2c1cccc2,NA
-CNC(=O)Oc1cc2ccccc2c2c1cccc2,NA
-Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,NA
-c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,NA
-Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,NA
-OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,NA
-O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,NA
-OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,NA
-CO/C(=C\C(=O)O)/C(=O)C(=C)C,NA
-CO/C(=C\C(=O)O)/C(=O)C(=C)C,NA
-O=C1CCc2c1c1c(cc2)ccc2c1cccc2,NA
-CCCCOCCCC,NA
-CCNC(=N)N([N+](=O)[O-])N=O,NA
-CNc1ccc2c(c1C)nc(cn2)c1ccccc1,NA
-CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,NA
-Cn1cnc2c1c(=O)n(C)c(=O)n2C,FP
-CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,TP
-CC(=C)C,NA
-O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,NA
-O=Cc1ccc(cc1)Cl,NA
-CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],NA
-O=C(C(Br)C)NC(C)(C)C,NA
-OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,NA
-Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],NA
-OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,TP
-Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,NA
-Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,NA
-NNC(=O)c1[nH]c2c(c1N)cccc2,NA
-CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,NA
-C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,NA
-CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,NA
-CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,NA
-CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,NA
-CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,NA
-Clc1cc(Cl)c(cc1Cl)Cl,NA
-Nc1ccc2c(c1)[nH]c1c2cccc1,NA
-N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,NA
-[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,NA
-CC(=C)C1CO1,NA
-CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,NA
-O=C1c2ccccc2-c2c1c1ccccc1cc2,NA
-C[C@]12CC[C@H](CC1)C(O2)(C)C,NA
-CCN(C(=S)SSC(=S)N(CC)CC)CC,NA
-CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,NA
-BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],TP
-Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,NA
-CN(c1[nH]cnc2-c1ncn2)C,NA
-ClC(C(C(F)(F)F)(F)F)Cl,NA
-O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,NA
-Nc1cccc2c1nc1cccc(c1n2)N,NA
-ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,NA
-CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,NA
-C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,NA
-COCCOCCOCCOC,NA
-OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,NA
-COC(=O)C(CSCCCl)N,TP
-c1ccc(cc1)N=Nc1ccccc1,TP
-Nc1ccccc1Cl,NA
-ClCCOP(=O)(OCCCl)OCCCl,TN
-OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,NA
-CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,NA
-Clc1ccc2c(c1)c1ccccc1o2,NA
-OC(=O)COc1ccc(cc1Cl)Cl,NA
-CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,FP
-CCCCCCCCOc1ccc(cc1)C(=O)O,NA
-ClCCl,NA
-Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,NA
-N#CCc1cn(c2c1cccc2)N=O,NA
-CC(CC(=O)C)C,NA
-OC(=O)COc1ccc(cc1)Cl,NA
-COc1ccc(cc1)c1nc(c([nH]1)c1ccc(cc1)OC)c1ccc(cc1)OC,NA
-ClC(=O)c1ccc(cc1)C(=O)Cl,NA
-CCCCCCCCC(=O)OCC=C,NA
-Clc1cccc(c1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)Cl,NA
-OC(=O)c1cccc(c1N)O,NA
-ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,NA
-COC(=O)c1nc(c2ccc3c(n2)C(=O)C=CC3=O)c2c(c1)c1ccccc1[nH]2,NA
-c1ccc2c(c1)ccc1c2cccn1,NA
-ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC,TP
-C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,NA
-ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,FN
-COc1cc2cccnc2c(c1)[N+](=O)[O-],NA
-[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,NA
-CN(CCN(c1ccccn1)Cc1cscc1)C,NA
-CCOC(=O)C(=O)C,NA
-Clc1ccc(cc1)Br,NA
-CCC(=O)C,NA
-COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
-O=C1CCc2c(O1)cccc2,NA
-N#C/C=C\C#N,NA
-Brc1ccc(cc1)C(=O)C1OC1c1ccccc1,NA
-OC[C@@H](CI)O,FN
-CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,NA
-COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,NA
-Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,NA
-c1ccc2c(c1)Oc1c(O2)cccc1,NA
-[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-Cc1cccc2c1ccc1c2cccc1,TP
-Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,NA
-OOCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,NA
-OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,NA
-OC(=O)c1ccccc1N,NA
-OCC(=O)C1(O)CC(OC2CC(N)CC(O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,NA
-[O-][N+](=O)c1cccc(c1O)N,NA
-COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,NA
-CC1(C)C2CC3C(C1C2)(C)O3,NA
-[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,NA
-CC(=O)Nc1ccc2c(c1)cccn2,NA
-Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,NA
-OC(=O)C1CC(N(C1(C)C)O)(C)C,NA
-OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,NA
-CCCCCN(CCCCC)CCCCC,NA
-COc1cc(OC)c2c(c1)OC1C2C2OC2O1,NA
-Clc1nncc2c1nccc2,NA
-CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,NA
-Cc1cccc(c1)C,NA
-O[C@@H](COc1cccc2c1cccc2)CNC(C)C,NA
-OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,NA
-Clc1ccc(c(c1)[N+](=O)[O-])N,NA
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,NA
-BrCc1ccc(cc1)CBr,FP
-O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,TP
-OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,NA
-Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,NA
-Clc1nncc2c1cncc2,NA
-Sc1ccccc1,NA
-Clc1cccnc1,NA
-Clc1ccc(cc1)SCc1ccc(cc1)Cl,NA
-C/C(=N/O)/C(=O)C,NA
-BrCBr,NA
-NCCCN(CC)CC,FP
-N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,NA
-COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],NA
-O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,NA
-CC(C(CBr)Br)Cl,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,NA
-CN(c1nc(nc(n1)N(C)C)N(C)C)C,NA
-C1CCCCC1,NA
-OCC(C(C(C1SCCN1N=O)O)O)O,NA
-CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,NA
-c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,NA
-Cc1ccc(cc1)N=NN(C)C,NA
-C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,NA
-Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],NA
-O=NN(Cc1cccc(c1)C#N)C,TP
-c1nccs1,NA
-Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,NA
-Clc1ccncc1,NA
-C[C@H](COC[C@H](O)C)O,NA
-CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,NA
-O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,NA
-NC[C@H](N)C,NA
-CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,FP
-OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,NA
-OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,NA
-Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,NA
-OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,NA
-CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,NA
-Fc1cccc2c1cccn2,NA
-Clc1ccc(c(c1)N)C,NA
-O1CCOCCOCCOCCOCCOCCOCC1,NA
-OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,NA
-S1CC1,NA
-C1OC(=O)C=C1,NA
-O=NN(C1OCC(C(C1O)O)O)CCc1c[nH]c2c1cccc2,NA
-NNC(=O)CN(c1ccc2c(c1)cccc2)C,NA
-COc1nsc2c1ccc(c2)[N+](=O)[O-],NA
-CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,NA
-[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,NA
-CCC(=O)C(=O)C,NA
-CCCCC#N,NA
-ON(c1ccc(cc1)Br)C(=O)C,FP
-ONc1c(C)cccc1C,NA
-Cc1cc(O)c(c(=O)o1)C(=O)C,NA
-c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,NA
-CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,NA
-BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,NA
-CC(C1CCC2(CC1)OC2)(C)C,NA
-[O-][N+](=O)c1ccc2c(c1)cccc2C,NA
-COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,NA
-CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,NA
-CC1c2ccccc2-c2c1cc(C)c(c2)C,TP
-Cc1c2ccccc2c(c2c1cccc2)C,NA
-OC(=O)Cc1c[nH]c2c1cc(O)cc2,NA
-N#CSCSC#N,NA
-Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,NA
-[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],NA
-[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,NA
-COc1ccc(cc1)/C=C/c1ccc(cc1)N,NA
-OC1C(O)C(OC(C1O)C(=O)O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,NA
-Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],NA
-O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,NA
-O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,NA
-BrCC#C,NA
-Cc1ccncc1,NA
-NCCC(N)C,NA
-CCCC(C(=O)O)CCC,NA
-CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,TP
-CCSCCOP(=S)(OC)OC,NA
-CC(COS(=O)(=O)c1ccccc1)C,NA
-N#N=NCCC(c1ccccc1)c1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)cccc2,NA
-CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,NA
-CCNC(=S)NCC,NA
-CCCC[C@H](CO)CC,NA
-Oc1ccc(cc1)OP1(Oc2ccc(cc2)O)NP(Oc2ccc(cc2)O)(Oc2ccc(cc2)O)NP(N1)(Oc1ccc(cc1)O)Oc1ccc(cc1)O,NA
-ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,NA
-CCCCCCCCCCCCC=C,NA
-N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,NA
-O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,NA
-CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,NA
-CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,NA
-[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,NA
-CCON(C(=O)c1ccccc1)OC(=O)C,NA
-Nc1cccc2c1cc1ccccc1n2,NA
-O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,NA
-Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,NA
-O=Cc1ccccc1,NA
-CCCCCCCCCCCC=C,NA
-CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,FP
-CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,NA
-CC(=O)OCc1ccccc1,FP
-OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,NA
-COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,NA
-COC(=O)c1ccccc1C(=O)OC,NA
-BrCc1cccc(c1)CBr,NA
-c1ccc(cc1)[Se][Se]c1ccccc1,NA
-Clc1cccc(c1O)Cl,NA
-Cc1cc2cc3ccccc3cc2c2c1cccc2,NA
-ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,NA
-OC(CO)CN=N#N,NA
-Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,NA
-CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,NA
-O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,NA
-O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,NA
-CN1CCC[C@@H]1c1cccnc1,NA
-Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,NA
-NC(=S)c1c(Cl)cccc1Cl,TP
-CC(=O)N(c1snc2c1cccc2)C,NA
-c1ccc(cc1)/C=N/c1snc2c1cccc2,NA
-c1cc(OCC2CO2)c2c(c1)cns2,NA
-OCNC(=O)NCO,NA
-OC1C(O)C(O)COC1N(c1ccc(cc1)C)N=O,NA
-CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
-CCNCC,NA
-C1O[C@H]1C=O,FN
-COc1cc(ccc1NC(=O)C)NC(=O)C,NA
-CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,NA
-[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,TP
-CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,NA
-CC1(CO1)C1CO1,NA
-ClCc1ccc(cc1)C,NA
-COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,NA
-CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,NA
-CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,FP
-OC[C@@H](CBr)Br,FN
-Nc1ccc(c(c1)O)[N+](=O)[O-],NA
-ClCc1ccc2c3c1-c1ccccc1-c3ccc2,NA
-Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,NA
-Nc1ccc2c(c1)nc1c(n2)cccc1,NA
-O[C@H](C(=O)c1ccccc1)c1ccccc1,NA
-OCCOC(=O)C=C,NA
-CC(=O)CCC(=O)C,NA
-[O-][N+](=O)c1cccc2c1cccc2C,NA
-OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,NA
-O=NN(Cc1ccccc1)Cc1ccccc1,NA
-COc1ccc(cc1N)NOS(=O)(=O)O,NA
-O1CCN(CC1)Sc1nc2c(s1)cccc2,NA
-CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,NA
-NC(C(S)(C)C)C(=O)O,NA
-O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,NA
-O=C1CCCCC1,FP
-ClCCNC(=O)N(CCCl)N=O,NA
-c1ccc2-c3ncsc3CCc2n1,NA
-COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,NA
-O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,NA
-CC(c1ccccc1)Cl,NA
-CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,NA
-N1CCc2c(C1)cccc2,NA
-CCCCc1cc(C)cc(c1O)CCCC,NA
-C1CCC2C(C1)c1ccccc1CC2,NA
-CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,NA
-COC(=O)C(NC(=O)C)CSCC(Br)C,NA
-OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,NA
-CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,NA
-ONc1ccc(c(c1)[N+](=O)[O-])C,NA
-COc1cc(C=C)ccc1O,NA
-CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,NA
-CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,NA
-COP(=O)(OC)O,NA
-[O-][N+](=O)c1ccccc1C(=O)C,NA
-Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,NA
-OC(c1c(C)cccc1[N+](=O)[O-])O,NA
-Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,NA
-Oc1[nH]nc2c1cccc2,NA
-CN1CCNCC1,NA
-O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,NA
-c1ccc2c(c1)ccc1c2ccc2c1ccnc2,NA
-[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-Cc1ccc2c(c1)cccc2,NA
-[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,NA
-CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,NA
-CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,NA
-OCN=N,NA
-CN(C)C,NA
-NC1CCCCC1,NA
-CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,FN
-CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,NA
-COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,NA
-O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,FP
-C(C1OC1)CC1OC1,NA
-CCCCCN(CCCCO)N=O,NA
-CC(=O)Nc1ccc(cc1)[N+](=O)[O-],NA
-Clc1ccc2c(c1)cc1c(c2)cccc1,NA
-[O-][N+](=O)[CH-]CCCC,NA
-Cc1cc2c(nc1N)[nH]c1c2cccc1,NA
-COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,NA
-CC(C(=O)N)Br,NA
-Nc1cc2ccc3c4c2c(c1)ccc4ccc3,NA
-NC(=N)N,NA
-OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],NA
-NC(=O)CI,NA
-Nc1cc(N)c(c(c1)[N+](=O)[O-])C,NA
-CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,NA
-O=Nc1cccc(c1)C,NA
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,NA
-OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,NA
-OC(=O)c1occ(c1c1ccccc1)c1ccccc1,NA
-O=C(c1ccccc1)Nc1snc2c1cccc2,NA
-[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,NA
-CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,NA
-O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,FP
-Fc1ccc(c2c1ccc1c2nccc1)F,NA
-CCOC(=O)CBr,NA
-Cc1ccc(cc1)O,NA
-COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-Cc1cccc2c1c1cc3ccccc3cc1cc2,NA
-[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],NA
-Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,NA
-CN(c1ccc(cc1)N)C,NA
-N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,NA
-COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],NA
-[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,NA
-CCCCN(CCO)N=O,NA
-O=CC=O,NA
+Cc1nc(N)nc(n1)N,TN
+OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
+O=C1C(=O)c2ccccc2-c2c1cccc2,FP
+O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,TN
+CC[C@@H](NCCN[C@@H](CO)CC)CO.Cl.Cl,TN
+Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,TP
+Clc1cccc(c1)NC(=O)N(C)C,TN
+[O-][n+]1c[nH]c2-c(c1N)ncn2,TP
+Clc1c(O)cccc1Cl,TN
+COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,TP
+OC1C2OC2c2c(C1O)c1cccnc1cc2,FP
+OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,TP
+Clc1nncc2c1cncc2,TN
+[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,FP
+CCCCOB(OCCCC)OCCCC,FP
+Cc1cccc2c1-c1ccccc1[C@@H]2C,TP
+CC(=O)c1ccccc1,TN
+CCC(C)C,TN
+Sc1ccccc1,TN
+CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,TN
+Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TP
+CC(=C)C1CO1,TN
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,TP
+[O-][N+](=O)[CH-]CCCC,FP
+CCCCN(CC(=O)CC)N=O,TP
+CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,TN
+OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
+O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],TP
+Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,TP
+Nc1cccc(c1)C(F)(F)F,TN
+CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,TN
+Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],TN
+CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,TP
+Nc1cc(N)c(cc1N=Nc1ccccc1C)C,TP
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],TP
+Cc1cc2ccccc2c(c1)[N+](=O)[O-],TP
+OC/C=C(/CCC=C(C)C)\C,TN
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,FN
+C=C[C@H]1CO1,TP
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,TN
+O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,TN
+CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,TP
+C[n+]1c2ccccc2c(c2c1cccc2)N,TP
+COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,TN
+CC(C(O)C)O,TN
+[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,TN
+Cc1ccc(c(c1)O)O,FP
+Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,TN
+CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,TP
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,TN
+CCCCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)C(=O)C,TN
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,TP
+O=C1COC(=C1O)C,FN
+OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,TP
+Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,FP
+CCNC(=O)CC[C@@H](C(=O)O)N,TN
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,TP
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,TP
+Nc1ccc(cc1)Cc1ccc(cc1)N,TP
+Nc1ccc(cc1)[N+](=O)[O-],TP
+Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,TN
+Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,TP
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,TP
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,FN
+CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,TP
+C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,TN
+Nc1ccc(cc1)C(=O)N,FP
+CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,TN
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,TP
+OCCCCCl,FN
+CC(=O)Nc1cccc(c1)O,FP
+OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,TN
+COc1c(OC)c2occc2c2c1ccc(=O)o2,TN
+OC(=O)c1cccc(c1C)[N+](=O)[O-],TP
+CCN(CCCC(=O)O)N=O,TP
+CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,TP
+CN[C@H]1C[C@H](O[C@H]([C@@H]1O)C)O[C@H]1C[C@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)C,TP
+COc1ccc(cc1/N=N/c1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
+O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,TN
O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,FP
-OC(=O)C(=O)O,NA
-CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,NA
-O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,NA
-O=CCCCC=O,NA
-OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,NA
-NC(=O)OCc1ncc(n1C)[N+](=O)[O-],NA
-OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,NA
-ClCCN(CCCl)C,NA
-O=C1C=CC(=O)c2c1cccc2,NA
-OC(=O)Cc1cccc2c1cccc2,NA
-O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,NA
-CNc1ccc2c(c1N)nc(cn2)C,NA
-CN(C(=S)SSC(=S)N(C)C)C,NA
-OCc1ccccc1,NA
-Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,NA
-OCCCNC(=O)C(C(CO)(C)C)O,NA
-BrCC(C)(C)C,NA
-CCCCN([C@H](OC(=O)C)CCC)N=O,NA
-OC1C2OC2c2c(C1O)cccn2,NA
-c1ccc2c(c1)c(ccc2)CC1CO1,NA
-CC(=O)Nc1cnc2c(c1)cccc2,NA
-CCC(=O)n1ncc(c(c1=O)Cl)Cl,NA
-Clc1nncc2c1cccc2,NA
-Cc1ccc(c(c1)[N+](=O)[O-])N,NA
-CCN(c1ccc(cc1)N)CC,NA
-CC1CCCC1,NA
-Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,FP
-O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],NA
-c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,NA
-CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,NA
-COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,NA
-O=NN1CCSC1C(C(C(C(O)C)O)O)O,NA
-CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,NA
-CC(=CC1C(C1(C)C)C(=O)O)C,NA
-Clc1cc(Cl)c(c(c1Cl)O)Cl,NA
-COP(=O)(NC(=O)C)SC,NA
-c1cnc2c(c1)ccc1c2cccn1,NA
-COC(=O)COc1ccc(cc1Cl)Cl,NA
-Oc1cccc2c1c(O)c1c(c2)cccc1O,NA
-OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,NA
-O=NN1CCNCC1,TP
-BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
-CC(Cl)Cl,NA
-[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,NA
-O=C/C=C\c1ccccc1OC,NA
-CCNc1snc2c1cccc2,NA
-O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,NA
-CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,NA
-CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,NA
-C=C[C@H](c1ccc(cc1)OC)OC(=O)C,NA
-C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,NA
-CC(=O)C(=O)C,NA
-CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,NA
-OC(=O)/C=C\C(=O)O,NA
-O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,NA
-ClCCCBr,FN
-O=c1cc(n(n1c1ccccc1)C)C,NA
-CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,NA
-Cc1cc(C)cc(c1)O,NA
-Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,NA
-C1CCC(CC1)NSc1nc2c(s1)cccc2,NA
-OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,NA
-COC(=O)C1=C(C)C(OC1=O)(C)O,NA
-Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],NA
-CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,NA
-Clc1cc(Cl)cc(c1)Cl,NA
-CCOP(=S)(SCCl)OCC,NA
-Oc1cnc2c(c1)cccc2,NA
-CCCCCO,NA
-OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,NA
-Oc1ccc2c(c1)cc[nH]2,NA
-COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,NA
-CC(=O)NS(=O)(=O)c1ccc(cc1)N,NA
-OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,NA
-O/N=C/C(=O)Nc1ccccc1,NA
-CC(C(=O)NCc1ccccc1)Br,NA
-c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,NA
-Oc1c2ccccc2nc2c1cccc2,NA
-CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,NA
-O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,NA
+c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,TP
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,TN
+Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,TP
+C1=Cc2c(C1)ccc1c2ccc2c1cccc2,TP
+ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,TP
+Cc1ccc2c(c1)nc1-c3ccccc3C(C(c1c2C)O)O,FP
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(=C)C1)O)C,FN
+Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+C[C@H](CO)Cl,FN
+COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+Nc1ccc(cc1)c1ccc(cc1)N,TP
+O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,TN
+CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,FP
+Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,FN
+CCCCOO,TP
+CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,FN
+COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,TP
+Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,TN
+Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,TP
+OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,TP
+NC1CCCC(C1)N,TN
+O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,TN
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,FP
+c1ccc2c(c1)snc2,TN
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,TN
+[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,TP
+c1ccc2c(c1)Cc1c(C2)c2ccccc2c2c1cccc2,TP
+CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,TN
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,TP
+O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,TP
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,FN
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,TN
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,FN
+CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,TN
+CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,FN
+OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,TN
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,TN
+COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,TP
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,TN
+CCOC(=O)N(C)C,FN
+O=C1c2ccccc2-c2c3c1cccc3ccc2,TP
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,FP
+CCOC(=O)C=C,TN
+CC(c1ccccc1)CCN=N#N,TP
+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],NA
+ClCC=CCCl,TP
+[O-][n+]1ncc2c(c1)nccc2,TN
+COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,TN
+CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,TP
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,TP
+O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,TP
+Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,TP
+O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,TN
+O=c1cn[nH]c(=O)[nH]1,FN
+O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],TP
+CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,TP
+COc1cccc2c1C1(C)OOC1(O2)C,TP
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,TN
+CSCCC(C(=O)O)N,TN
+Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,TN
+ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,TP
+CC(c1ccccc1)Cl,TN
+CCCCCCCCCCO,TN
+O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,FP
+OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,TN
+COc1c(N)cc(c(c1C)N)C,FP
+Sc1nc2c([nH]1)cccc2,FP
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,TN
+Clc1cc(N)c(c(n1)C(=O)O)Cl,TN
+NCC=C,TN
+Cc1ccc(c(c1)[N+](=O)[O-])N,TP
+CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
+Cc1cc(ccc1/N=N/c1ccccc1)N(C)C,TP
+CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],TN
+CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,TN
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,TN
+CCNc1snc2c1cccc2,TN
+ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,TP
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,TN
+Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,TN
+Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,FN
+c1cccnc1,TN
+CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,TP
+O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],TP
+[O-][N+](=O)c1cccc2c1[nH]nc2,TP
+O1C[C@@H]1[C@@H]1OC1,TP
+Nc1ccc2c(c1)cc1c(c2)cccc1,TP
+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,TP
+Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,TN
+OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,TP
+[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],TP
+COC(=O)C(Cl)C,TP
+C[N+](Cc1ccccc1)(C)C.Cl,TN
+O=S1(=O)CCCO1,TP
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],TN
+OC[C@H]([C@H](CO)O)O,TN
+BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,TP
+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,TP
+C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,TP
+NC(=O)c1c(Cl)ccc(c1Cl)O,TN
+O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,TP
+CCCOC(=O)c1ccc(cc1)O,TN
+O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,TP
+COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,TP
+OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],TP
+Nc1scc(n1)c1ccccc1,TP
+CN(N=O)C[C@H](O)C,FN
+Clc1cc(Cl)c2c(c1)c(N)sn2,FN
+NC(C(=O)O)CSC(C(Cl)Cl)(F)F,FP
+Nc1ccc(c(c1C)N)N=Nc1ccccc1,TP
+Clc1ccc(c(c1)Cl)[N+](=O)[O-],TP
+OCCCCN(CCO)N=O,TP
+ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,TP
+c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,TP
+c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,TP
+CCCCCCCCCCCCCC[C@@H]1OC1,TN
+[N-]=[N+]=NC[C@@H](CO)O,TP
+[O-][N+](=O)c1cccc(c1Cl)Cl,FP
+CCCCCOC(=O)C=C,TN
+OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,FP
+[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,FP
+OC/C=C\[C@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,TN
+Oc1ccc(c(c1)C)Cl,TN
+CC(=O)/C=C/c1ccc2c(c1)OCO2,TN
+O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,FN
+BrC(C(=O)O)Br,TP
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,TP
+CCNN=NCC,FN
+NC(=O)C1CO1,TP
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,TN
+COP(=O)(SC)OC,TN
+Clc1cc(Cl)c(c(c1)Cl)O,TN
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],TP
+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,TP
+Oc1ccc(c(c1)Cl)Cl,TN
+OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,TN
+CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,TP
+C/C=C/c1ccc(cc1)OC,TN
+[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,TP
+C1CCCCCC2C(CCCC1)O2,TN
+CC(=O)Nc1snc2c1cc(Cl)cc2,TP
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,TN
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,TP
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,FN
+CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,TN
+CCNc1nc(Cl)nc(n1)NC(C)(C)C,TN
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,FP
+OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,TN
+Cc1ccccc1N=Nc1ccc(cc1)N(C)C,FP
+CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,TP
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,TN
+COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,TN
+Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,TP
+ClC(=O)c1c(Cl)cccc1Cl,FN
+OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,TP
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,FP
+OC1C=Cc2c(C1O)c1cccnc1cc2,FP
+CC/C=C/[C@H](C=O)CC,TN
+CC/C=C/C=C/C=C/C=C/OCC(CO)O,TP
+CCN(N=O)C=O,TP
+Cc1cc(ccc1/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,FP
+CC(COC(=O)C(=C)C)O,TN
+Cc1ccc(cc1)/N=N/NCc1ccccc1,TP
+c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,TP
+O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,FN
+Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,TP
+BrCCBr,TP
+ClC(C(=O)C(Cl)(Cl)Cl)Cl,TP
+c1ccc(cc1)NN=Nc1ccccc1,TP
+COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,TN
+Cc1ccc(c(c1)C)C,TN
+CC1(C)C2CC3C(C1C2)(C)O3,TN
+CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,FN
+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,FP
+OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,TN
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-],TP
+CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,TP
+Fc1ccc(c(c1)F)N,TP
+Cc1ccc(c2c1ccc1c2cccc1)C,TP
+Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,TN
+OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,FP
+O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],TP
+Oc1ccccc1Cl,TN
+CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,TN
+CC(=O)O[C@@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,TP
+COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,TN
+OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,TN
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,FN
+O=Cc1ccc(cc1Cl)Cl,TN
+CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,NA
+c1ccc(cc1)Nc1cccc2c1cccc2,FP
+CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,TN
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,TN
+Cc1cccc2c1ccc1c2cc2c(c1)cccc2,TP
+c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,TP
+[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],TP
+NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,TP
+OC(=O)/C(=C(/C(=O)O)\C)/Cl,TN
+Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,TP
+CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,TN
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
+Oc1ccccc1/C=N/c1snc2c1cccc2,FP
+NC(=O)c1cnccc1C(F)(F)F,TN
+OCCC(C)C,TN
+ClCc1cccnc1,TP
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,FP
+ClC(c1ccccc1)C(=O)Cl,FN
+CC(OC(=O)C(=C)C)C,TN
+c1ncc[nH]1,TN
+NC(=N)c1ccccc1,TN
+COc1ccccc1O,FP
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,TP
+N/N=c/1\sc2c(n1C)cccc2.Cl,TP
+ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,TP
+Cc1cccc2c1c1ccc3c(c1cc2)cccc3,TP
+CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,TN
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,TP
+OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],TN
+C=CCc1ccc(c(c1)OC)O,TN
+OCCNC(=O)C(O)C,FN
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,TN
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
+[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,TP
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,TP
+O=C1C(=O)C2(C(C1CC2)(C)C)C,TN
+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,NA
+OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,TN
+O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,FP
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,FP
+Nc1ccc2c(-c3ccccc3C2)c1,TP
+Nc1nc2c(n1C)ccc1c2cncc1,TP
+[O-][N+](=O)c1ccccc1,TN
+C=CC=O,FN
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,TP
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,TP
+OC(=O)COc1ccc(cc1C)Cl,TN
+[O-][N+](=O)[CH-]C,TN
+[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
+N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,TN
+Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,TN
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,TN
+Fc1cccc2c1ccc1c2nccc1,TP
+CCCCCCC[C@@H]1CCC(=O)O1,TN
+OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,TP
+OC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C.O,TN
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,TP
+Cc1ccc(c(c1)N)N,TP
+OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,TN
+c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,TP
+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,TP
+Cc1ccc(c2c1cccc2)C,TN
+ClC[C@@]12[C@H](Cl)[C@H]([C@H](C2(CCl)CCl)CC1(Cl)Cl)Cl,TN
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,TP
+Clc1ccc(cc1)C[C@@H]1OC1,TP
+Nc1cc([N+](=O)[O-])c(cc1C)N,TP
+CC(C[C@H](O)C)C,TN
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,TP
+COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,FP
+ClCC(CBr)(Br)C,TN
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,TN
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,TN
+COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,TN
+N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,TP
+CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,FN
+COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,TN
+O=C1Nc2c3c1cc1OCOc1c3c1c(c2)cccc1,TP
+O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,TN
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+Cc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,TN
+O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,TN
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,TP
+O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],TP
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,TP
+Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,TN
+O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,FP
+ON(c1ccccc1)C(=O)C,FP
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,TP
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,TN
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,FN
+OS(=O)(=O)O.COc1ccc(cc1N)N,TP
+O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,TP
+Nc1nc2c(s1)cccc2,TN
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,FN
+C1=C[C@@H]2[C@H](C=C1)O2,FN
+O=C(c1cnccc1C(F)(F)F)NCC(=O)O,TN
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,TP
+OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,FN
+O=C(Nc1ccc(cc1)Cl)CCC(=O)O,TN
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,TN
+NNc1nncc2c1cccc2,TP
+C=CS(=O)(=O)C,TN
+O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,TP
+CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,TN
+Cc1ccc2c(c1C)cccc2,FP
+COC(=O)c1sccc1S(=O)(=O)N,TN
+OC1C=Cc2c(C1O)nccc2,TN
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,FP
+CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,TN
+[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,TP
+O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,TP
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)CCO3,TP
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,TP
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,TN
+OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,TP
+c1ccc(cc1)c1ccc(cc1)OCC1OC1,TP
+ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,TP
+CCCCOC(=O)C=C,TN
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,TP
+Nc1ccc2c(n1)n1ccccc1n2,TP
+C([C@@H]1OC1)Cc1ccccc1,TP
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,TP
+Nc1cccc2c1-c1ccccc1C2,TP
+CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,TN
+NCCCN(C)C,TN
+Nc1cc(Cl)c(cc1S(=O)(=O)O)C,FN
+Nc1ccc2c(n1)c1ccccc1cc2,TP
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,TN
+[O-][N+](=O)c1c(C)cccc1C,TN
+CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,TP
+COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,TN
+C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,TN
+OCCS,TN
+ONc1ccccc1C,TP
+OC(=O)c1cc(O)c2c(n1)c(O)ccc2,TN
+Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],TP
+C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,TP
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],TN
+COCCN(c1c(C)cccc1C)C(=O)CCl,TN
+OC(C(Cl)(Cl)Cl)O,FN
+Cc1cnc2c(c1)cccc2,TP
+C/C=C\C=C/C=O,TP
+CCCCOC(=O)C(=C)C,TN
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,TN
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
+CCCCCCCCCCCCS,TN
+c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,TP
+CC(=O)C=C,FN
+[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],TP
+O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,TN
+CCCN=NC(OO)(C)C,TP
+CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
+COP(=O)(C(C(Cl)(Cl)Cl)O)OC,FP
+COc1cccc(c1)N,TP
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,TN
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,FP
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,TN
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,TN
+CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,TN
+OC(=O)CCC(=O)O,TN
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,TP
+COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],TP
+Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],TP
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,TP
+CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,TN
+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],TP
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,TP
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,TN
+[O-][N+](=O)c1ccc(c(c1)N)C,TP
Nc1ccc(c(c1)[N+](=O)[O-])O,TP
-CC#N,NA
-O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,NA
-Oc1ccc(c2c1nccc2)S(=O)(=O)O,NA
-CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,NA
-O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,NA
-Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,NA
-Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,TP
-CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,NA
-O1CC1Cc1ccccc1,NA
-N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,NA
-C=CCOC(=O)c1ccccc1C(=O)OCC=C,NA
-CCC(=O)Nc1ccc(c(c1)Cl)Cl,FP
-Cc1cccc2c1c1ccc3c(c1cc2)cccc3,NA
-CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],NA
-NC(=O)Cc1cccc2c1cccc2,NA
-NC(=O)Cc1cccc2c1cccc2,NA
-[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,NA
+OC(=O)C1CSSC(C(=O)N1)(C)C,NA
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,TN
+O=NN1CCCN(CC1)N=O,TP
+ONc1c(C)cccc1C,TP
+COc1ccc(cc1)CC1OC1,TP
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TN
+C[C@H](CN(C[C@H](O)C)CCN(C[C@H](O)C)C[C@H](O)C)O,NA
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,NA
+O=C(C(=C)C)OCCCCOC(=O)C(=C)C,TN
+CC1(CO1)C1CO1,TP
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TP
+COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,FP
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,FP
+OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
+OCC=C(CCC=C(C)C)C,TN
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,TP
+C[Si](N[Si](C)(C)C)(C)C,NA
+OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,TN
+O[C@@H]1C=Cc2c([C@H]1O)cc(c1c2cc2ccccc2c1)C,TP
+COC(=O)[C@@]12O[C@@]2(C)[C@@](NC1=O)(C)O,TP
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,TP
+O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,TP
+CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,TN
+c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,TN
+OC(C1CO1)CO,FN
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,TN
+N[C@@H](C(=O)O)CS,FN
+CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,TP
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,TP
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,TP
+Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,TN
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC.[Na+],TP
+O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,TP
+Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,TP
+O=C1C=C(O)c2c(C1=O)cccc2,FP
+OC[C@@H](CCl)Cl,TP
+C[C@H](CCl)O,TP
+c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,TP
+BrCCSCC(C(=O)OC)NC(=O)C,TP
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,TP
+Nc1ccc(c(c1)N)O,TP
+OC(=O)C/C(=C\C(=O)O)/C(=O)O,TN
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,TP
+CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,TN
+CN[C@@H]([C@H](c1ccccc1)O)C,TN
+CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,TN
+CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,TP
+CC1c2ccccc2-c2c1cccc2,TP
+COc1cc(ccc1O)C[C@H]1CO1,TP
+O=C(Nc1ccc(cc1)C)CC(=O)C,TN
+COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,TP
+Nc1ccc(cc1)S(=O)(=O)N,TN
+ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,TN
+C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,TP
+c1ccc(cc1)Cc1ccc(cc1)C[C@H]1CO1,TP
+Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,TN
+OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,FP
+CCCCCC[C@@H](OC(=O)C)C/C=C\CCCCCCCC(=O)OC,TN
+CNCCCC(=O)O,FP
+Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,TP
+CC1(CO1)C=C,TN
+OCC=O,FP
+c1ccc2c(c1)c(CCC1CO1)ccc2,TP
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,FP
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,TP
+ClCC1=C(Br)C(=O)OC1,TP
+Cc1ccccc1N,TP
+c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,TP
+C/C=N\O,TP
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,TN
+COC(=O)C12OC2(C)C(OC1=O)C,TP
+[O-][N+](=O)c1cc(N)c(c(c1)N)C,TP
+ClCCOP(=O)(OCCCl)OCCCl,FP
+CCOC(=O)C(=C)C,TN
+[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,TP
+CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,TP
+Cc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
+CC(C(CCl)Br)Br,TP
+Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],TP
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],TN
+CCCC[C@H](C=O)CC,TN
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,TP
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,TN
+CCCCCNc1snc2c1cccc2,TN
+Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
Cc1cc2n(C)c(nc2c2c1nccn2)N,TP
-O=C(N(C)C)Nc1ccc(c(c1)Cl)C,NA
-O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,NA
-ClC[Si](C=C)(C)C,NA
-c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,NA
-ONc1cccc(c1)C,NA
-CCNc1nc(NCC)nc(n1)Cl,TN
-C1CC2CCc3c(C42C(C1)O4)cccc3,FP
-CNC(=O)Oc1ccccc1,NA
-Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,NA
-Fc1c(F)c(F)c(c(c1Cl)F)Cl,NA
-C=Cc1ccc(cc1)N,NA
-COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,NA
-OC(C(F)(F)F)C(F)(F)F,NA
-[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],NA
-CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],NA
-Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,NA
-C/C=C/C1OC(=O)C=CC1O,NA
-[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],NA
-C1CCSCS1,NA
-CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,NA
-Oc1c2ccccc2nc2c1cco2,NA
-CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,NA
-[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,TP
-C(Sc1ccccc1)CSc1ccccc1,NA
-Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,NA
-Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,NA
-[O-][N+](=O)c1ccc2c(c1)cn[nH]2,NA
-ClC(=O)OCC1c2ccccc2-c2c1cccc2,NA
-OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,TP
-O=NN(CCCC(c1cccnc1)O)C,NA
-O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,NA
-OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O,NA
-O=NN1CCN([C@H](C1)C)N=O,NA
-c1cccnc1,NA
-ClCCBr,NA
-c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,NA
-ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-N#CCc1ccccc1[N+](=O)[O-],NA
-NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,NA
-OCCC(CCC=C(C)C)C,NA
-OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
-CCOC(=O)C,NA
-CC(CN(C(=N)N[N+](=O)[O-])N=O)C,NA
-OC(=O)Cc1c[nH]c2c1cccc2,NA
-O=C1C=CC(=O)C(=C1)Cl,NA
-ClCc1ccc(cc1)[N+](=O)[O-],NA
-CCC#N,NA
-CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,NA
-O1C=CC2C(C=C1)O2,NA
-Nc1nc2c(n1C)ccc1c2nccc1,NA
-COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,NA
-CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,FP
-O1OC2c3c(C1c1c2cccc1)cccc3,NA
-ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,NA
+COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,TP
CCC/C=N\O,TP
-COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,NA
-CSC(/C=N\O)(C)C,FP
-ClCC(=C)Br,NA
-c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,NA
-BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,NA
-c1ccc2c(c1)scn2,NA
-COCCOC(=O)c1ccccc1C(=O)OCCOC,NA
-COC1OC1(C)C,NA
-OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,NA
-CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,NA
-CC(OC1OC(=O)C(=C1Cl)Cl)C,NA
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,TP
-CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,FP
-[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,FP
-O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,NA
-Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,NA
-BrCc1cccc(c1)[N+](=O)[O-],NA
-c1ccc2c(c1)cc(cc2)[C@@H]1CO1,NA
-OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],NA
-CCCCCCCCCCSCn1cc[n+](c1)C,NA
-[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],NA
-Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,NA
-Oc1ccc2c(n1)ccc1c2nc(n1C)N,NA
-COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,NA
-CC(Br)(C)C,NA
-CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,NA
-CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,NA
-COc1ccc(cc1)/C=C/C(=O)c1ccccc1,NA
-OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,NA
-NCCCN(C)C,NA
-CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,TP
-OC(=O)C1OC(Oc2ccc3c4c2ccc2c4c(cc3)cc3c2cccc3)C(C(C1O)O)O,NA
-CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,NA
-COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,NA
-O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,TN
-O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],NA
-COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,NA
-CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,FP
-CCOC(=O)c1cccc2c1nccc2,NA
-CCN(c1ccc(cc1)N=O)CC,NA
-OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],NA
-[O-][N+](=O)c1ccccc1[N+](=O)[O-],NA
-CCCC[C@H](COC(=O)CCCCC(=O)O)CC,NA
-C=CN1CCCC1=O,NA
-O=c1ccoc(c1O)C,NA
-Nc1ccc2c(n1)cccc2,NA
-C=CCc1ccc2c(c1)OCO2,NA
-O1CCOCC1,NA
-Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,NA
-OC(=O)C(Oc1ccc(cc1Cl)Cl)C,NA
-CC(=O)OCN(N=O)CCCl,NA
-COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,NA
-Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,NA
-Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,NA
-CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,NA
-CCOS(=O)(=O)c1ccc(cc1)C,NA
-CC(=O)OC(=O)C,NA
-Oc1ccc2c(c1)c(N)c1c(n2)cccc1,NA
-OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O,NA
-O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,NA
-COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,NA
-Oc1ccc2c(c1)OCO2,NA
-c1ccc2c(c1)nccc2,NA
-NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-CC(=C)C(=O)OC[C@@H](CBr)Br,NA
-CC/C=C/[C@H](C=O)CC,NA
-ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,NA
-C1CCC(CC1)NC1CCCCC1,TN
-CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,NA
-NNc1ccc(cc1)C(=O)O,NA
-CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,NA
-CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,FP
-N#Cc1cccc(c1)C,NA
-CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,NA
-COC(=O)CCl,NA
-Clc1cccc(c1)C(=O)O,NA
-Clc1ccc(cc1)Cl,NA
-OCc1cc2c([nH]1)c1ncccc1cc2,NA
-CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,NA
-[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,NA
-O=Cc1ccc(cc1Cl)Cl,NA
-Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,TP
-ClC(=O)c1ccccc1Cl,NA
-ClCCCN(COC(=O)C)N=O,NA
-COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,TP
-COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,NA
-CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,NA
-BrC[C@H](Br)C,NA
-Nc1cc2nc3ccccc3nc2cc1O,NA
-Cc1cccc2c1cc1c(c2)ccc2c1cccc2,NA
-BrCCC(CCBr)(CO)CO,NA
-OC(=O)C(Cl)(Cl)Cl,NA
-OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],NA
-Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,NA
-CCCCCCCCCC[C@@H]1OC1,NA
-ClC1OC1CBr,NA
-Cc1ccc2c(c1C)cccc2,NA
-Nc1ccc(cc1C)c1ccc(c(c1)C)N,NA
-CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,TP
-[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,NA
-ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,NA
-O=C1CCc2c1ccc1c2ccc2c1cccc2,NA
-c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,NA
-O=Nc1ncn(c1c1ccccc1)C,NA
-OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,NA
-O=CC1=CCC(CC1)C(=C)C,NA
-Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,NA
-OCCCO/C=C/C=C/C=C/C=C/C=C/CC,NA
-CC(Nc1snc2c1cccc2)C,NA
-COc1ccc(cc1)CC1OC1,NA
-NNc1nncc2c1nccc2,NA
-CCN(c1cccc(c1)O)CC,NA
-OCNC(=O)C=C,NA
-COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,TP
-[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,NA
-[O-][N+](=O)c1cccc(c1O)c1ccccc1,NA
-OCc1ccc(cc1)[N+](=O)[O-],NA
-O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,NA
-COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,TP
-CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],NA
-CCCC(=C)C=O,NA
-CC(N)C,NA
-CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],NA
-c1ccc(cc1)c1ccc(cc1)OCC1OC1,NA
-Nc1sc2c(n1)c(C)ccc2,NA
-Cc1cccc(c1)c1nc2c(o1)cccc2,NA
-CCn1c(N)nc2c1ccc1c2nc(cn1)C,NA
-O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,NA
-O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,NA
-COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,NA
-CCn1c(N)nc2c1ccc1c2cccn1,NA
-FC(OC(C(Cl)F)(F)F)F,NA
-Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,NA
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,NA
-COc1cc(N)cc(c1N)OC,NA
-ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,NA
-CC(Cl)(Cl)C,NA
-CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,NA
-Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,NA
-O=NOC(C)(C)C,NA
-O=Nc1ccc(cc1)O,NA
-NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,NA
-C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,NA
-CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,NA
-OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,NA
-Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,NA
-Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,NA
-CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,NA
-CCNc1cc2oc(=O)cc(c2cc1C)C,NA
-O=NN1CSCC1C(=O)O,FP
-CN(c1ccncc1)C,FP
-Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,NA
-Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,NA
-OC(=O)CS,NA
-CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,NA
-O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],NA
-NC(=O)C[C@H]1CO1,NA
-COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,NA
-O[C@@H](c1ccccc1)C#N,NA
-CC(=O)Nc1ccc2c(n1)cccc2,NA
-OC1=C(C)CCC1=O,NA
-CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,NA
-Clc1cc(Cl)nc(n1)N,NA
-[O-][N+](=O)c1cccc2c1snc2Cl,NA
-CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,TN
-CC(C(=O)NCc1ccccc1)Cl,NA
-OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,NA
-NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,NA
-OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,TN
-C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,NA
-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],NA
-OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,NA
-CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,NA
-OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,NA
-Clc1ccc(c(c1)O)Cl,NA
-[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],NA
-CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,NA
-CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,FP
-OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,FP
-C1CC2OC2CCC2C1O2,FP
-O=Cc1cccc2c1nccc2,NA
-[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,NA
-OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O,NA
-Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,NA
-Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,NA
-Nc1ccc(c(c1)C)C,NA
-O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,NA
-OC(=O)c1cc(O)c2c(n1)cccc2,NA
-N#N=NCC(C(C(C(C(=O)O)O)O)O)O,NA
-CCCCN=NC(OO)(C)C,NA
-[O-][n+]1c2ccccc2nc2c1cccc2,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,NA
-CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,NA
-COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,NA
-CC([C@](C(=O)O)([C@H](O)C)O)C,NA
-OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,NA
-NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,NA
-Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],NA
-CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,NA
-c1ccc(cc1)c1ccc(cc1)c1ccccc1,NA
-CCCC[C@H](COS(=O)(=O)O)CC,NA
-c1ccco1,NA
-c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,NA
-OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,NA
-CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,TP
-CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,NA
-CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,NA
-Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,NA
-BrC(C(=O)O)Br,NA
-OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,NA
-NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,NA
-C1CCNC(=O)N1N=O,NA
-S=C(Nc1ccccc1)Nc1ccccc1,NA
-CCCC(=O)c1cc(O)c(cc1O)O,NA
-CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,NA
-CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,NA
-CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,NA
-O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,NA
-COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,NA
-O(Cc1cccc2c1cccc2)CC1CO1,NA
-[O-][N+](=O)CCC(=O)O,NA
-[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,NA
-O=c1n(CC2CO2)sc2c1cccc2,NA
-O=CNc1ccc2-c3c(Cc2c1)cccc3,NA
-CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,NA
-Nc1cc([N+](=O)[O-])c(cc1C)N,TP
-Oc1ccc2c(c1N)cccc2,NA
-COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,NA
-OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,NA
-CCn1c(N)nc2c1c(C)cc1c2cccn1,NA
-C[n+]1c2ccccc2cc2c1cccc2N,NA
-ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,NA
-CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,NA
-OS(=O)(=O)c1cccc2c1nccc2,NA
-c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,NA
-NCCCCC(C(=O)O)N,TP
-[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,NA
-COc1ccc(cc1)C(=O)C1OC1c1ccccc1,NA
-FC(C(C(Cl)(F)F)(F)F)Cl,NA
-COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,NA
-O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,NA
-Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,NA
-Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,NA
-CN(N=O)CCCC,NA
-COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,NA
-O=Cc1ccco1,NA
-CCN(C(=N)N[N+](=O)[O-])N=O,TP
-Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,NA
-Oc1cc(Cl)c(c(c1)Cl)Cl,NA
-CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,NA
-ON1CN(Cl)CN(C1)Cl,TN
-CCCC[C@H](C=O)CC,FP
-COC(=O)C1=CCCN(C1)N=O,NA
-OCCN(C(=O)Nc1ccccc1)C,NA
-CCSCCSP(=S)(OC)OC,NA
-O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,NA
-OC(COc1cccc2c1cc[nH]2)CNC(C)C,NA
-OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,NA
-CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,NA
-O=C1C=Cc2c3c1cccc3ccc2,NA
-CCCCCCN(C(=O)N)N=O,NA
-CCOC(=O)C(=C)C,NA
-CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,NA
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],NA
-CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,NA
-N#Cc1ccc(cc1)[N+](=O)[O-],NA
-CC(Nc1ccccc1)C,NA
-O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,NA
-CC(=O)n1cncc1,NA
-O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,NA
-Nc1nc2c(n1C)ccc1c2ccnc1,NA
-O=C/C=C(\CCC=C(C)C)/C,NA
-COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,TP
-c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,NA
-BrC(C1=C(Br)C(=O)OC1)Br,TP
-CC1(CO1)C(=O)N,NA
-c1ccc(cc1)Nc1ccccc1,NA
-OCc1c2ccc3c(c2cc2c1cccc2)cccc3,NA
-Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],NA
-C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],NA
-CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,TN
-ONc1ccc(cc1)N=O,NA
-O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,NA
-ClCC1=C(Cl)C(=O)OC1O,NA
-[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,NA
-[O-][N+](=O)c1c(O)ccc2c1cccc2,NA
-CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,NA
-Nc1[nH]ccc2-c1c1ccccc1n2,NA
-O=NN(CCCC(=O)c1cccnc1)C,NA
-CCOC(=O)C(C(=O)C)Cl,NA
-O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,NA
-C1CCC(CC1)N=C=NC1CCCCC1,NA
-CC1CCC2CC1C2(C)C,NA
-[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,NA
-CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,NA
-C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,NA
-CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,NA
-Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,NA
-CC(Cc1ccc(cc1)C(C(=O)O)C)C,NA
-CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,NA
-Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],NA
-CNCC(c1ccc(c(c1)O)O)O,NA
-Cc1cnccn1,NA
-c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,NA
-c1ccc2c(c1)ccc1c2nccc1,NA
-c1ccc(cc1)Nc1ccc2c(c1)cccc2,NA
-OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,NA
-CNC(=O)N(C(=O)C)O,TP
-Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,NA
-CCC(OC)(C)C,NA
-CC/C=C/C=O,NA
-OCc1ccc(cc1)C,NA
-CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,NA
-CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,NA
-CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,NA
-CCOc1cc(C=O)ccc1O,NA
-CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,NA
-CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,NA
-O=NN1CC(=O)NC1=O,NA
-Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],NA
-OC(=O)CCCCC(=O)O,NA
-C=CCN=C=S,NA
-COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,NA
-COC(=O)CCC(=O)OC,NA
-COc1ccc(cc1)C(=O)/C=C/c1ccccc1,NA
-Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,NA
-OOC(N=NC)(C)C,NA
-O=C(Nc1ccccc1C)CC(=O)C,NA
-CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,NA
-Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,NA
-CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,NA
-CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,NA
-CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,NA
-O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,NA
-O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,NA
-O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,NA
-Brc1cccc(c1)[N+](=O)[O-],NA
-Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,NA
-ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,NA
-Cn1c(N)nc2c1cc1ncccc1n2,NA
-COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,NA
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,NA
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,NA
-OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,NA
-COc1ccc(cc1)C(C=C)O,NA
-BrCC(=O)N(Cc1ccccc1)C,NA
-Oc1ccc2c(c1)cccn2,NA
-S=C=S,NA
-CCO[Si](OCC)(OCC)C,NA
-O=CN(c1ccc(cc1)c1ccccc1)O,NA
-OCC1=CCN2[C@H]1[C@H](O)CC2,NA
-CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,NA
-CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,FP
-CCN(C(=O)N)N=O,NA
-[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],NA
-Cc1cccc2c1cc1ccc3c(c1n2)cccc3,NA
-c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,NA
-BrC([N+](=O)[O-])(Br)Br,NA
-OCC1OC(CC1O)n1cnc2c1ncn1c2ncc1,NA
-O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,NA
-NC(=O)OC1CO1,NA
-Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,NA
-[O-][N+](=O)c1cnc(n1C)C,NA
-CCOc1ccc(cc1N)NC(=O)C,NA
-CN(Cc1ccccc1)C,NA
-C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,NA
-CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,NA
-O=C1NCNC(=O)N1,NA
-ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,FP
-CNc1ccc2c(c1C)nc(c(n2)C)C,NA
-ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,NA
-OC1c2cc3ccccc3c3c2c2c1cccc2cc3,NA
-COC(=O)c1oc(c(c1Cl)Cl)N,NA
-C1CC2=CC3C(C=C(C1)O2)O3,TN
-CC[N+](=NC)[O-],NA
-O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,NA
-CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],NA
-c1ccc2c(c1)c1ccccc1c1c2cccc1,NA
-O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,NA
-OCc1c(N)cccc1[N+](=O)[O-],NA
-[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],NA
-ClCCOCCCl,NA
-O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],NA
-Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,NA
-[O-][N+](=O)c1cccc2c1nsc2,NA
-[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,NA
-CC(CO)Cl,NA
-CC/C=C/C=C/C=C/C=C/C=C/OC,NA
-CCCCCN1C2C1c1ccccc1-c1c2cccc1,NA
-CCCCN(CCC(=O)C)N=O,NA
-Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,NA
-COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,NA
-[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,NA
-ONS(=O)(=O)c1cccc2c1nccc2,NA
-COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,NA
-O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,NA
-O=NN1CCCC[C@H]1C,NA
-Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,NA
-OCC1OC(C(C1O)O)n1cnc2c1ncn1c2ncc1,NA
-ONc1cc(ccc1C)[N+](=O)[O-],NA
-Cc1cccc2c1nn[nH]2,NA
-[O-][N+](=O)C(C(O)C)C,NA
-CC(=C)OC(=O)C,NA
-NCCNC(=O)c1ccc(cn1)Cl,NA
-CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,NA
-c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,NA
-CC(=O)Nc1cccc2c1-c1ccccc1C2,NA
-Cc1c(C)c(Br)c(c(c1Br)Br)Br,NA
-ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,TP
-ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,NA
-OCC1OC(SC(=S)N(CC)CC)C(C(C1O)O)O,NA
-O=CN(c1ccccc1)O,NA
-CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,NA
-Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,NA
-CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,NA
-CC(=C)C(=O)OCCO,NA
-OC(COc1cccc2c1OCC(C2)O)CNC(C)C,NA
-Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,NA
-Clc1cccc(c1)c1nc2c(o1)cccc2,NA
-Nc1cccc(c1)O,NA
-CCOS(=O)(=O)c1ccccc1,NA
-COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-Fc1cc2cccnc2c2c1cccc2,NA
+O=C/C=C/c1ccccc1,FP
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,FP
+O1CCOCCOCCOCCOCCOCC1,TN
+CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,TN
+c1ccc2c(c1)c1ccccc1c1c2cccc1,TP
+OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,TN
+OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,TN
+OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,FP
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,TN
+O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,TP
+CNP(=S)(N1CC1)N1CC1,TP
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,TP
+CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,TP
+BrC(C1=C(Br)C(=O)OC1O)Br,TP
+OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,TP
+CCCC[C@H](CN)CC,TN
+CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,TN
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,TP
+OC[C@H]1O[C@@H](O[C@]23CCC4[C@@](C2)(CC3=C)CCC2[C@@]4(C)CCC[C@@]2(C)C(=O)O[C@@H]2O[C@@H](CO)C([C@H](C2O)O)O)[C@@H]([C@H](C1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O,FN
+c1ccc(cc1)c1ccccc1OC[C@H]1CO1,TP
+Cc1ccccc1Br,TN
+OCc1cc2ccccc2c2c1c1ccccc1cc2,TP
+N#N=Nc1nc2c(n1C)ccc1c2cccc1,TP
+OC(=O)/C=C/C=C/C(=O)O,TN
+ONc1ccc2c(n1)n1cccc(c1n2)C,TP
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,TN
+Nc1cc(C)c(c(c1)[N+](=O)[O-])N,TP
+C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,TN
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,TP
+Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,FP
+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,TN
+Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,TN
+Fc1ccc2c(n1)cccc2,FP
+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,FP
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,TP
+CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,TP
+[O-][N+](=O)c1cccc2c1nc1ccccc1n2,TP
+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,TP
+CO[C@@H]1OC1(C)C,TP
+CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,TP
+CCCC(=O)Cl,FN
+N#Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,TP
+CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,TN
+c1cc2ccc3c4c2c(c1)ccc4ccc3,TP
+CCOC(=O)CCl,FP
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],TN
+CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,TP
+FC(C(F)(F)F)Cl,TN
+CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,TP
+c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+Oc1cnc2c(c1)cccc2,TN
+ClCC[N+](CCCl)(C)[O-],TP
+N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,TN
+OC(=O)CC[C@@H](C(=O)O)N.[K+].O,TN
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],TP
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+Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,TP
+COC(CCOC(=O)C)C,TN
+COC(=O)C(=C)C,FP
+BrC(C=O)CBr,TP
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+N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,TP
+Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,TP
+Cn1c(N)nc2c1c1cccnc1cc2,TP
+ONc1[nH]cnc2-c1ncn2,FN
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+C=CC(=O)OCCOCCOC(=O)C=C,TN
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+ClC/C(=C(\C(=O)O)/Cl)/C=O,TP
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,TP
+COCC(=O)O,TN
+Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,FP
+ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,TP
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,TN
+C=CCCC1CO1,FN
+N#C/C=C/C#N,TN
+Nc1[nH]cnc2-c1nc(n2)c1ccc(cc1)[N+](=O)[O-],TP
+Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,TP
+Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],TP
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,TN
+Cc1ccc2c(-c3ccccc3C2C)c1,TP
+FC(C(F)(F)F)F,TN
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,TN
+Sc1[nH]cnc2-c1ncn2,TP
+CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,TN
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,TP
+O=Nc1cc(ccc1C)[N+](=O)[O-],TP
+O=NN1CSCC1,TP
+c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,TP
+[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,TN
+OCCC(CCC=C(C)C)C,TN
+ClC(C1=C(Cl)C(=O)OC1)Cl,TP
+OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,FN
+BrCc1ccccc1,FN
+CCCCN(C[C@@H](CCO)O)N=O,TP
+[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,TN
+CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,TN
+O[C@@H]1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,TP
+NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,TP
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,TP
+OC(=O)c1ccc(cc1)Cl,TN
+ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,TP
+CN1CCc2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,TP
+BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,TP
+COC(=O)/C(=C/c1ccc(o1)Br)/C#N,TN
+OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,TP
+OC(=O)c1ccccc1S(=O)(=O)N,TN
+Clc1ccc(cc1)Br,TN
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,TP
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,TN
+CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,FP
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,TN
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,TP
+Clc1c(O)cc(c(c1Cl)Cl)Cl,TN
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,TP
+Clc1cccc2c1nccc2,TP
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,TP
+CC(C(C)(C)C)OP(=O)(Cl)C,TN
+OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,TP
+C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1.OC(=O)/C=C\C(=O)O,TN
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],TP
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,TP
+Cc1ccc2c(c1)cc1c(c2)cccc1,TP
+CSC(/C=N\O)(C)C,TN
+NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,NA
+CCCCC/C(=C\c1ccccc1)/C=O,TN
+CSc1ccc(cc1)Cl,TN
+Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,TN
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,TN
+NC(C(=O)O)Cc1ccccc1,TN
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,TP
+C=C1CC[C@H]2C[C@@H]1C2(C)C,TN
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,TP
+Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],TP
+c1ccc2c(n1)C1OC1C1C2O1,TN
+O=C1CCc2c1ccc1c2ccc2c1cccc2,TP
+OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,TP
+O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],FP
+CC1=CC[C@@H](CC1)C(=C)C,TN
+Clc1cc2Oc3c(Oc2cc1Cl)cc(c(c3Cl)[N+](=O)[O-])Cl,FP
+ClCC(=O)CCl,TP
+O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,TP
+C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,TP
+ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,TN
+ClCCC(CBr)Br,FP
+Nc1ccc2c(c1)oc(=O)cc2C,TN
+Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,TP
+O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,TP
+N#Cc1ccccc1,TN
+[O-][N+](=O)c1cccc2c1snc2,TP
+Nc1ccc2c(c1)nccc2,TP
+CC1(CO1)C(=O)N,TP
+OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],TN
+CNC(=O)NO,FP
+COc1nsc2c1cccc2OC[C@H]1CO1,TP
+[O-][N+](=O)c1cccc2c1ccc1c2cccc1,TP
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,TN
+OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,TP
+[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+CC(CCNc1snc2c1cccc2)C,TN
+O=NN1CCOC(C1)O,TP
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,TP
+CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,TP
+[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],FP
+FC(C(Cl)(Cl)F)(Cl)Cl,FN
+BrCC1=C(Cl)C(=O)OC1,TP
+ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,TP
+CC1=CC[C@H]2C[C@@H]1C2(C)C,TN
+Cc1cc(C)c(c(c1)C)N,TP
+Clc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
+C/C=C/Cl,TP
+SCC(C(=O)O)NC(=O)C(S)(C)C,TN
+ClCCCN(COC(=O)C)N=O,TP
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,TP
+Cc1ccc2c(c1)cccn2,FN
+CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,TN
+NC(=O)/N=N/C(=O)N,TP
+CCCCSCC[C@@H](C(=O)O)N,TN
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,TN
+Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,TP
+ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,TP
+Oc1ccc2c(c1)cccn2,TN
+[O-][N+](=O)c1cccc(c1C)N,TP
+Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,TP
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,TP
+CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,TN
+Clc1ccc(cc1)C(=O)Cl,FP
+O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],TP
+[O-][N+](=O)c1ccccc1[O-].[Na+],TN
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1CCCC2)C,TP
+OCCOCCOCC,TN
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,TN
+COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,FP
+OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],TP
+C1CC=C2C(C1)CCc1c2cccc1,TP
+ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,TP
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,TP
+N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,TP
+CN(N=Nc1ccc(cc1)Br)C,TP
+C[n+]1c2ccccc2nc2c1cccc2,TP
+CCCCCCCCC=C,TN
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,TN
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,TN
+COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,TP
+O=CC=C(C)C,TN
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2,TP
+O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,TN
+Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],TP
+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,TN
+O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],TP
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,TP
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
+C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,TP
+OC(=O)c1cc(O)c2c(n1)cccc2,TN
+CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,TP
+CC(=O)C(=C)C,TN
+OC(=O)CC[C@@H](C(=O)O)N,TN
+ClCC(F)(F)F,TN
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,TP
+c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,TP
+C=CC=C,FN
+CCOC[C@H]1CO1,FN
+CC(COS(=O)(=O)C)C,TP
+ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,TP
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N(c1ccc(cc1)[N+](=O)[O-])N=O,TP
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,TN
+CCCCCC(=O)OCC=C,TN
+Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],TP
+CC1CCC(C(C1)OC(=O)c1ccccc1N)C(C)C,TN
+Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,TP
+O=C([C@@H]1OC1)NCc1ccccc1,TP
+OC1=CC(=O)C1=O.[Na+],TN
N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,TP
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,NA
-CCC(C)C,NA
-[N-]=[N+]=NCCC(C(=O)O)N,NA
-OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C,NA
-NNc1nncc2c1ccnc2,NA
-[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],NA
-Nc1cccc2c1C(=O)c1ccccc1C2=O,NA
-[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],NA
-Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,NA
-Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,TP
-CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,NA
-COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,NA
-O=c1oc2cccc3c2c2c1cccc2cc3,NA
-NC1=N[C@@H](CS1)C(=O)O,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,NA
-Nc1nc2-c3cccnc3CCc2s1,NA
-Nc1c(C)cccc1O,NA
-Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,NA
-[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],NA
-OCCOCCOCCO,NA
-CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,NA
-CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,NA
-CCCCCCCCCCCC(=O)NCCO,NA
-CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,NA
-Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,NA
-CNc1ccc(cc1)N=Nc1ccccc1,NA
-Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,NA
-CN(C(=O)Nc1ccc(cc1)Cl)C,NA
-[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],NA
-CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,NA
-ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,NA
-C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,NA
-ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,NA
-CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,NA
-CN(c1ccc(cc1)/C=C/c1ccccc1)C,NA
-Nc1cc(nn1C)C1CC1,NA
-OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,NA
-OCCCCN(N=O)CC,NA
-O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,NA
-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,NA
-CCOC(=O)C(=C)C#N,NA
-OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],NA
-Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],NA
-CC(N=C=NC(C)C)C,NA
-Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,NA
-c1ccc(cc1)Nc1cccc2c1cccc2,FP
-N#[N+]c1nc[nH]c1C(=O)N,NA
-c1ccc2c(c1)c(OCC1CO1)ccc2,NA
-Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,FP
-O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,NA
-OC1C2OC2c2c(C1O)ccc1c2cccn1,NA
-OC[C@@H](CCl)O,NA
-CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,TP
-CC(=O)c1ccc(c(c1Cl)Cl)Cl,NA
-Cn1c(N)nc2c1cccc2,NA
-OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,NA
-c1ccc2c(c1)cc1c3c2cccc3C=C1,NA
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-COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,NA
-CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,NA
-CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,NA
-BrCCCCCCCC(=O)O,NA
-Nc1ccc(cc1F)c1ccc(c(c1)F)N,NA
-O=C(c1ccccc1N)OCCc1ccccc1,NA
-Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,NA
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-OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,NA
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-Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,NA
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-O=NN(CCN(C)C)C,TP
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-O=NN(Cc1cccc(c1)C(F)(F)F)C,NA
-O=Cc1cccc(c1Cl)Cl,NA
-CCOc1ccc(cc1)NC(=O)N,NA
-OCc1ccc(cc1[N+](=O)[O-])N,NA
-O=CN(c1ccc(c(c1)Cl)Cl)O,NA
-Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,NA
-Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],NA
-O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,NA
-N#N=NCC(Cn1cnc2c1ncnc2Cl)O,NA
-O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,NA
-OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,NA
-[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,NA
-COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,FP
-CCC1OC1c1ccccc1,NA
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-[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,NA
-O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,NA
-[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,NA
-OC(=O)Cc1ccc(c(c1)O)O,NA
-ONC(=O)CNC(=O)c1ccccc1,NA
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-O1CCN(CC1)SSN1CCOCC1,NA
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-OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,NA
-OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,FP
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-NCCCN1CCN(CC1)CCCN,NA
-CCOC(=O)N(C)C,NA
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-Cl[Si](Cl)(Cl)Cl,NA
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-CC=C,FN
-BrCC(=O)Nc1ccc(cc1)C,NA
-CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,NA
-COc1cc(CNC(=O)C(Br)C)ccc1OC,NA
-Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,NA
-[N-]=[N+]=NC[C@H](C(=O)O)N,NA
-CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,NA
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-[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],NA
-CCCCCCCCCCCCCCCCCC(=O)O,NA
-[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],NA
-CCc1ccco1,NA
-Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,NA
-OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,NA
-c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,TP
-N#CC(=Cc1ccccc1Cl)C#N,NA
-Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,NA
-ClCCN(P1(=O)OCCC(=O)N1)CCCl,NA
-BrCC(c1ccccc1)Br,NA
-O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,NA
-[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,FP
-Cc1c(N)c(C)c(c(c1C)N)C,NA
-c1ncc[nH]1,NA
-Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,NA
-OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,NA
-BrCC(=O)c1cccc(c1)OC,FP
-O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,NA
-CC(=O)Nc1cccc2c1ncc(c2)F,NA
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-CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-O=C1C=C(O)c2c(C1=O)cccc2,NA
-O=C1C=C(O)c2c(C1=O)cccc2,NA
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-[O-][N+](=O)c1cc(ccc1C)C(=O)O,NA
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-CCc1c(Br)c(Br)c(c(c1Br)Br)Br,NA
-O=C1C=CC(=O)C=C1,NA
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-Oc1cccc2c1cccc2,NA
-Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,NA
-O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,NA
-O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,NA
-CCCCOCCOCCOCc1cc2OCOc2cc1CCC,NA
-Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,NA
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-OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,NA
-C=Cc1ccncc1,FP
-CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,NA
-COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,TP
-CC(NCC(c1ccc2c(c1)cccc2)O)C,NA
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-ONc1nc(N)nc2c1[nH]cn2,NA
-[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,NA
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-NC(C(=O)NCC(=O)O)CS,NA
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-CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,TP
-Cc1cccc(c1O)C,NA
-COCOC,NA
-NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,NA
-CCOC(=O)CNC(=O)C(Br)(C)C,NA
-Oc1ccc(nn1)O,NA
-Cc1c(C)cccc1N,NA
-Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],NA
-N#Cc1ccccc1C,FP
-COc1ccc(cc1)CC=C,NA
-COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,NA
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-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,NA
-CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,NA
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-O=Nc1ccc(cc1C)OP(=S)(OC)OC,NA
-O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,NA
-O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,NA
-CN(N=Nc1ccc(cc1)Cl)C,NA
-CCCCCCCCCCCCCCCCCCCC,NA
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-NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,NA
-CCCC/C=C/C=C/C=C/C=C/C=C/OC,NA
-CCCCOS(=O)(=O)C,TP
-[O-][N+](=O)c1ccc2c3c1CCc3ccc2,NA
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-Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,NA
-N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl,NA
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-CCn1cc(C(=O)O)c(=O)c2c1nc(nc2)N1CCNCC1,NA
-O=NN1CCCCCC1,NA
-Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],NA
-FC(c1ccc(cc1)Cl)(F)F,NA
-O=CC(=O)C,NA
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-CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,NA
-CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],NA
-CCCCCCCCCCCCc1ccccc1,FP
-COCN(c1c(CC)cccc1CC)C(=O)CO,NA
-CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,NA
-Clc1cccc(c1)[N+](=O)[O-],NA
-OCc1occ(c(=O)c1)O,NA
-Oc1ccc(cc1)Cl,NA
-O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,NA
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-O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,NA
-Clc1cccc2c1oc1c2cccc1,NA
-[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,NA
-CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,NA
-COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,NA
-O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,NA
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-c1ccc(cc1)CNc1ncnc2c1[nH]cn2,NA
-OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,NA
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-N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,NA
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-[O-]C(=O)Cc1cccc2c1cccc2.[Na+],NA
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-[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].O.O.O.O.O.O.O.O.O.O.O.O.[NH4+],NA
-[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3],NA
-P,NA
-[Al]#P,NA
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-O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,NA
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-CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,NA
-CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,FP
-O=S1CCOC(=C1C(=O)N)C,NA
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-Nc1nc(NC2CC2)nc(n1)N,FP
-CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],NA
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-O=C1NCC[n+]2c1cccc2,NA
-CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,NA
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-CCOc1snc(n1)C(Cl)(Cl)Cl,NA
-CCOc1nc(ns1)C(=O)O,FP
-O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,NA
-N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,NA
-NC(=N)c1c(F)c(F)ccc1C(F)(F)F,NA
-NC(=O)c1c(F)c(F)ccc1C(F)(F)F,NA
-O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,NA
-O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,NA
-OC(=O)C1CC1,NA
-OCC1CC1,NA
-CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,NA
-OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,NA
-OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,NA
-Cc1nc(Nc2ccccc2)nc(c1)C1CC1,NA
-Cc1cc(nc(n1)N)C1CC1,NA
-Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,NA
-OCc1nc(N)nc(c1)C1CC1,NA
-Cc1cc(nc(n1)O)C1CC1,NA
-OCc1nc(Nc2ccccc2)nc(c1)C1CC1,NA
-COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,NA
-COCCN(c1c(C)cccc1C)C(=O)CCl,NA
-COCCN(c1c(C)cccc1C)C(=O)C(=O)O,FP
-COCCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],NA
-[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,NA
-COC(=O)CN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],NA
-OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,NA
-COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,NA
-CCOc1cc(ccc1OCC)NC(=O)OC(C)C,NA
-CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,NA
-CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C,NA
-CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,NA
-CO/N=C(\c1ccccc1CO)/C(=O)NC,NA
-[O-]P(=O)=O.[Na+].[Na+],NA
-O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,NA
-Oc1cccc2c1OC(C2)(C)C,NA
-CNC(=O)Oc1cccc2c1OC(C2O)(C)C,FP
-COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],NA
-COc1cc(OC)[nH]c(=O)n1,NA
-COc1cc(=O)[nH]c(=O)[nH]1,NA
-COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,NA
-COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],NA
-COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,NA
-COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],NA
-Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,NA
-Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,NA
-CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,NA
-Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,NA
-Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,NA
-CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,NA
-CCOc1nc(NC(=O)N)nc(n1)NC,NA
-CCOc1nc(NC)nc(n1)N,NA
-CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,FP
-CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,NA
-COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,FP
-CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,NA
-OC(=O)c1ccccc1S(=O)(=O)N,NA
-CCOc1nc(N)nc(n1)N,FP
-CCCSP(=O)(SCCC)OCC,NA
-N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,NA
-COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,NA
-OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,NA
-COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,NA
-COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,NA
-N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,NA
-CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,NA
-Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,NA
-CNC(=O)C1=NN=C([CH]1)Br,NA
-N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,NA
-OCC=C(CCC=C(C)C)C,NA
-CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,FP
-Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,FP
-Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,NA
-Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,NA
-CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,NA
-Nc1cn[nH]c(=O)c1Cl,NA
-Cn1ncc(c(c1=O)Cl)N,NA
-Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,NA
-Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,NA
-O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,NA
-Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,NA
-ClCC[N+](C)(C)C.[Cl-],NA
-COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,NA
-OC(=O)c1ccccc1C(F)(F)F,NA
-NC(=O)c1ccccc1C(F)(F)F,TP
-CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,NA
-OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,NA
-Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,NA
-OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,NA
-OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,NA
-OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,NA
-OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,NA
-FC(n1c(C)n[nH]c1=O)F,NA
-OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,NA
-COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,NA
-OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,NA
-Clc1cccc(c1)NC(=O)N(C)C,NA
-CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,NA
-CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,NA
-CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,NA
-CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,NA
-OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,NA
-OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,NA
-CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,NA
-OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,NA
-Clc1[nH]c(=O)c(cc1Cl)Cl,NA
-COC(=O)Nc1nc2c([nH]1)cc(cc2)O,NA
-CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,NA
-CC(c1ccc(cc1)C(C)(C)C)O,NA
-O=c1nc[nH]c2c1cccc2,NA
-Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,FP
-CN=C=S,NA
-CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,NA
-O=c1ccc(c[nH]1)C(F)(F)F,NA
-Nc1ncn[nH]1,NA
-N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,NA
-OC(=O)c1cccc2c1OC(O2)(F)F,NA
-N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,NA
-NC(=O)C(c1cccc2c1OC(O2)(F)F)O,NA
-N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,NA
-N#CC1(OC1(C(=O)N)c1cccc2c1OC(O2)(F)F)C(=O)O,NA
-OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,NA
-ClOCl.[Cu+2],NA
-[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],NA
-[Cu].[Cu].O,NA
-[O-]S(=O)(=O)[O-].[Cu+2].O.O.O.O.O,NA
-[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],NA
-[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],NA
-Cl[Cu]Cl,NA
-O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,NA
-NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,NA
-Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,NA
-CNC(=O)Nc1cccc(c1)C(F)(F)F,NA
-[O-]P(=O)(OC)O,TN
-CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,NA
-Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,NA
-c1ncn[nH]1,NA
-Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,NA
-Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,FP
-CNC(=O)CSP(=O)(OC)OC,TP
-O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,NA
-Fc1c(N)cc(c(c1Cl)F)Cl,NA
-NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,NA
-[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],NA
-CC(=O)NC(C(=O)O)CCP(=O)(O)C,NA
-OC(=O)CCP(=O)(O)C,NA
-OC(=O)CP(=O)(O)C,NA
-COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,NA
-OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,NA
-COc1cc(OC)nc(n1)Cc1n(C)nc(c1C(=O)O)Cl,FP
-Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,NA
-OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,NA
-OC(=O)Cn1cncn1,NA
-Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,NA
-Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,NA
-NC(=O)c1c(Cl)cccc1Cl,NA
-OC(=O)c1ncc(cc1Cl)C(F)(F)F,FP
-NC(=O)c1c(Cl)ccc(c1Cl)O,NA
-CS(=O)c1cc(cnc1C(=O)O)C(F)(F)F,NA
-OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,NA
-Oc1ncc(cc1S(=O)(=O)C)C(F)(F)F,NA
-O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,NA
-OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,NA
-O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,NA
-OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,NA
-O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,NA
-Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,NA
-Cn1nc(c(c1)C(=O)O)C(F)F,NA
-FC(C1=C(C=N[N]1)C(=O)O)F,NA
-OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,NA
-COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,NA
-COc1nc(C)nc(n1)N,FP
-OC(=O)c1sccc1S(=O)(=O)N,NA
-COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,NA
-NC(=O)Nc1nc(C)nc(n1)C(=O)C,NA
-O=C1NS(=O)(=O)c2c1scc2,NA
-Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,NA
-COC(=O)c1sccc1S(=O)(=O)N,NA
-[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,NA
-[O-][N+](=O)NC(=NC)NCc1cnc(s1)Cl,NA
-CN1COCN(C1=N)Cc1cnc(s1)Cl,NA
-COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,NA
-Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,NA
-OC(=O)c1n[nH]c(n1)S(=O)(=O)N,FP
-NS(=O)(=O)c1ncn[nH]1,NA
-Oc1cccc2c1OC(C2O)(C)C,NA
-Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,NA
-N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,NA
-COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,NA
-COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,FP
-OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,NA
-CC(N1C(=O)SCN(C1=O)c1ccccc1)C,FP
-CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,FP
-CC(NC(=O)Nc1ccccc1)C,NA
-CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,NA
-OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,NA
-CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,NA
-CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,NA
-Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,NA
-C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,NA
-C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,NA
-CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,NA
-[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,NA
-CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,NA
-CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,FP
-CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,NA
-CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,NA
-CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,NA
-CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,NA
-CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,NA
-Cc1ccc(cc1)C(N)C,NA
-[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,NA
-[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,NA
-[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,NA
-O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,FP
-CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,NA
-COc1cccc(c1C(=O)N)OC,NA
-O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,NA
-[O-]S(=O)(=O)[O-].[Fe+2],NA
-CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,NA
-CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,NA
-Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,NA
-Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,FP
-CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,NA
-CC1OC(C)OC(OC(O1)C)C,NA
-Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,NA
-O=C(N(C)C)Nc1ccc(cc1)C(C)C,NA
-OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,NA
-CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,NA
-CCCN(C(=O)SCc1ccccc1)CCC,NA
-COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,NA
-[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,NA
-O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,FP
-OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,NA
-CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,FP
-C[N+]1(C)CCCCC1.[Cl-],NA
-OC1CC[N+](CC1)(C)C.[Cl-],NA
-CNC(=O)O/N=C(/C(=O)N(C)C)\SC,NA
-CN(C(=O)C#N)C,NA
-CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,FP
-CNC(=O)ON=C(SC)C,FP
-COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,NA
-CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],NA
-CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,NA
-CCCn1c(OCCC)nc2c(c1=O)cccc2,NA
-Cc1cc(C)nc(n1)Nc1ccccc1,NA
-Cc1cc(C)nc(n1)N,NA
-CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,NA
-CNC(=O)Oc1cc(C)c(c(c1)C)SC,FP
-C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,NA
-Cc1nnc(c(=O)n1N)c1ccccc1,NA
-Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,NA
-COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,NA
-C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,NA
-C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,NA
-O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,NA
-FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,NA
-COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,NA
-NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,NA
-COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,NA
-Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,NA
-N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,NA
-N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,NA
-OC(=O)c1cccc(c1)C(F)(F)F,NA
-N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,NA
-N#Cc1ccc(cc1)C(=O)O,NA
-COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,NA
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-[O-]P([O-])[O-].[K+].[K+].[K+],NA
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-[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,NA
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-O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,NA
-OC(=O)c1ccc(cc1N)S(=O)(=O)C,NA
-[S-]C(=S)NC.[Na+],NA
-CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,NA
-OC(=O)C(Oc1cccc2c1cccc2)C,NA
-CC1=CC[C@@H](CC1)C(=C)C,NA
-CNC(=O)Nc1ccc(cc1)C(C)C,NA
-COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,NA
-COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,NA
-COC(=O)c1ccccc1S(=O)(=O)N,NA
-COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,NA
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-O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,NA
-CNC(=O)c1cccnc1S(=O)(=O)N,FP
-COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,NA
-COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,NA
-COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,NA
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-CCNc1nc(Cl)nc(n1)NC(C)(C)C,NA
-Nc1nc(nc(n1)O)NC(C)(C)C,FP
-CCNc1nc(O)nc(n1)NC(C)(C)C,NA
-Nc1nc(nc(n1)Cl)NC(C)(C)C,NA
-Oc1nc2NC(C(n2c(=O)n1)O)(C)C,NA
-CC(Nc1nc(O)nc(n1)O)(C)C,NA
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-CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,NA
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-CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,NA
-CNC(=O)Nc1ccc(cc1)Br,NA
-NC(=O)Nc1ccc(cc1)Br,NA
-CONC(=O)Nc1ccc(cc1)Br,NA
-COc1cc(O)nc(n1)NC(=O)N,FP
-OCC(c1ccc(cc1)NC(=O)N(C)C)C,NA
-O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,NA
-CC(c1ccc(cc1)NC(=O)N)C,NA
-CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,NA
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-OCCP(=O)(O)O,NA
-OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,NA
-[O-]Cl.[Na+],NA
-FS(=O)(=O)F,NA
-O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,NA
-OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,NA
-COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,NA
-CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,NA
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-Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,NA
-CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,NA
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-OC(=O)COc1nc(Cl)c(cc1Cl)Cl,NA
-CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,NA
-CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,NA
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COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],FP
-[O-][N+](=O)c1ccccc1[O-].[Na+],NA
-[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],FP
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-[O-]P(=O)([O-])[O-].[Fe+3],NA
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-COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,NA
-O=c1[nH]cc(cc1Cl)C(F)(F)F,NA
-Cn1cc(cc(c1=O)Cl)C(F)(F)F,NA
-COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,NA
-Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,NA
-CNc1nc(OCC(F)(F)F)nc(n1)N,NA
-FC(COc1nc(N)nc(n1)N)(F)F,NA
-O=C1NS(=O)(=O)c2c1cccc2C,NA
-NCP(=O)(O)O,NA
-CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,NA
-OC(=O)C(F)(F)F,NA
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-OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,NA
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-C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,FP
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-N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,NA
-CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,NA
-CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,NA
-F[C@H](C(C(Cl)(F)F)(F)F)Cl,TN
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-C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,NA
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-CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,NA
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-O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],NA
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-c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,NA
-O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],NA
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-O(C[C@@H]1OC1)CCOC[C@@H]1OC1,NA
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-N#CC(/N=N/C(C#N)(C)C)(C)C,NA
-CCC(=O)O.[Na+],TN
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-Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,NA
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-CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,NA
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-[N-]=[N+]=CC(=O)NCC(=O)NN,NA
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-[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,NA
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-c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,NA
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-[O-][N+](=O)c1cccc2c1[nH]nc2,NA
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-[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],NA
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-c1ccc2-c3c4c(-c2c1)cccc4ccc3,NA
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-[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,NA
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-COc1ccc(cc1)C[C@@H]1OC1,TP
-COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,NA
-n1ccc(cc1)c1ccncc1,NA
-O[C@@H]1OC(=O)C=C1CCl,NA
-Cc1cccc2c1-c1ccccc1[C@@H]2C,NA
-O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,NA
-Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,FP
-OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,FP
-OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,NA
-CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,NA
-C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Cl.Cl,NA
-OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,NA
-CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,TP
-CC[C@H](OS(=O)(=O)C)C,NA
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+[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,TP
+CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,TN
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+CCSCCSP(=O)(OC)OC,TN
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,TP
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+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,TP
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+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,TN
+CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,TN
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,TN
+OCCI,TP
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+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,TP
+CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,TN
+CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,TN
+Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,TP
+Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,TN
+O=CC[C@H](CCC=C(C)C)C,TN
+Oc1ccc(cc1N)S(=O)(=O)O,TN
+c1ccc2c(c1)cc1c3c2C=Cc3ccc1,TP
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,TN
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1,TN
+COP(=O)(O)O,TN
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,TN
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,TP
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,TP
+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],TN
+O=Nc1ccc(cc1C)OP(=S)(OC)OC,FN
+CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,TN
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+CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],TN
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+CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,TP
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,TP
-COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,FP
-Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],NA
-N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,NA
-c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,NA
-OCCNC(=O)[C@H](O)C,NA
-O=CC[C@H](CCC=C(C)C)C,NA
-Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,NA
-COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,NA
-Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,NA
-C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,NA
-ONc1ncnc2c1nc[nH]2,NA
-N#C/C=C/C#N,FP
-OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,NA
-Nc1cccc2c1cccn2,NA
-N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,NA
-COc1ccc(cc1)CC[C@@H]1OC1,NA
-Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,NA
-O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,NA
-CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,NA
-ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,NA
-COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],NA
-CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,NA
-O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,NA
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,NA
-O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,TP
+O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],TP
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,TN
+[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],TN
+[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,TP
+Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],TP
+O=c1[nH]ncc2c1cccc2,TN
+CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,TN
+CC(=O)/C=C\c1ccc2c(c1)OCO2,TN
+CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,TN
+CCCN(CCCC(=O)O)N=O,TP
+C[C@H]1CC(=O)O1,FN
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,TN
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,TP
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,TN
+O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,TN
+CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,TP
+ClCC(C(Br)(C)C)Br,FP
+O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,TP
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,TN
+[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,FP
+[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,TP
+OCCBr,TP
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],TP
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,TP
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,TP
+Oc1ccnc2c1cccc2,FP
+O=C1CCC(=O)O1,FP
+N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,TN
+CN(c1ccc(cc1)/N=N/c1ccccc1)C,TP
+CCN(c1ccc(cc1)N=O)CC,TP
+O=C1NC(=O)C(=C(Cl)Cl)C1,TP
+OC1COC(=C(C1=O)O)C,TP
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,TN
+Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,TP
+O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,TN
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,TP
+C/N=N/O.[K+],TP
+CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,NA
+NNc1nncc2c1nccc2,TP
+CCCCCCCCCCOC(=O)C(=C)C,TN
+N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,TP
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,FN
+ClCC[N+](C)(C)C.[Cl-],TN
+Cc1ccc(cc1)Br,TN
+OC(=O)CI,FN
+CCCCC=O,TN
+O(C[C@@H]1OC1)CCOC[C@@H]1OC1,TP
+Nc1scc(n1)c1cccnc1,FP
+CC(CN(C(=N)N[N+](=O)[O-])N=O)C,TP
+Fc1ccc2c(c1)cccn2,FN
+CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,TN
+O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,FP
+C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,TP
+Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,TP
+CN(/N=N/c1ccc(cc1)Cl)C,TP
+C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,TP
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,TP
+CC(C(=O)N)Br,FN
+CC(C(C)(C)C)OP(=O)(F)C,TN
+C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,TN
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,TP
+C1CCC2C(C1)c1ccccc1CC2,TN
+Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
+CCc1ccnc2c1cccc2,TN
+CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,TN
+c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,TP
+COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,TP
+O=NN1CCSC1C(C(C(C(O)C)O)O)O,TN
+Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,TP
+ClCCNCCCNc1c2ccccc2nc2c1cccc2.Cl.Cl.O,TP
+CCCCN(CCCO)N=O,TP
+OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,FP
+N#N=NCC(C(C(C(C=O)O)O)O)O,TP
+CC(=CC1C(C1(C)C)C(=O)O)C,TN
+O=C/C(=C/c1ccccc1)/C,FP
+OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,FP
+[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],TN
+Cc1ccc2c(c1)cccc2,TN
+CSCCC=O,FP
+C/C=C/C=C/C=O,TP
+ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,TN
+C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,TP
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,TP
+Oc1cccc2c1cccc2,FP
+BrC/C=C\CBr,TP
+OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,FN
+c1cc2ccc3c4c2c(n1)ccc4ccc3,TP
+Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,TP
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,TP
+CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,FN
+OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,TN
+Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,TN
+CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,FP
+OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,TP
+Nc1ccc2c(c1)nc1c(c2N)cccc1,TP
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C.Cl,TP
+CNNC,TN
+O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,TP
+O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,TP
+CC(CC(=O)Nc1ccc(cc1)O)O,TN
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,TP
+COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,TN
+[O-][N+](=O)c1ccc(c(c1)C)N,TP
+C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,TN
+Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,TP
+CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,NA
+OC(=O)C(CC(=O)O)(CC(=O)O)O,TN
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,FP
+CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,TN
+Cc1cc(ccc1N=Nc1ccccc1)N(C)C,TP
+OC[C@H](COP(=O)(O)O)O.[K+].[K+],TN
+COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,TP
+OC(=O)c1cc2ccccc2c(c1O)Cc1c(O)c(cc2c1cccc2)C(=O)O.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C.CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,FN
+[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,TP
+OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,FN
+N[C@H](C(=O)O)CS/C=C/Cl,FP
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,TN
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,TN
+Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,TP
+NNc1nnc(c2c1cccc2)NN,TP
+BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,FP
+O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,TN
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],TP
+OC(=O)CC[C@@H](C(=O)O)N.[Na+],TN
+OC(=O)CS,TN
+CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,NA
+CCCCCCCC/C=C\CCCCCCCCN,FN
+CCCCCCCCCC,TN
+Clc1ccc(c(c1)N)Cl,TN
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,TP
+[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,TP
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,FP
+NC[C@]1(C)C[C@H](N)CC(C1)(C)C,TN
+Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,TP
+O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,TN
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+OCc1ccc(cc1)[N+](=O)[O-],FP
+CC1(C)C2CCC3(C1C2)CO3,TN
+CCCCCCCCCCCCCC=C,TN
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+C[C@H]1CCOS(=O)(=O)O1,TP
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+CC(=O)c1ccc(cc1)[N+](=O)[O-],TP
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+CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,FP
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+CCSC(=O)Cl,FP
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+Clc1ccc(cc1)CC1OC1,TP
+CC1(C)[C@@H]2C[C@H]3[C@]([C@H]1C2)(C)O3,TN
+CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,TN
+CCN=[N+](C)[O-],TN
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+CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,TN
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+OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,TN
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+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,FN
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+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,TP
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+c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,TP
+ONc1cnc2c(c1)nc1n2cccc1,TP
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,TN
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,TN
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+OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,TP
+Nc1ccc(cc1)Cl,TP
+Nc1ccc2c(c1)c1ccccc1cc2,TP
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,TP
+CCN(C#N)N=O,TP
+C/C=C(\C=O)/Cl,TP
+Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,TP
+CC1CCCO1,TN
+Cc1cccc2c1c1cc3ccccc3cc1cc2,TP
+O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,TN
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,FP
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+OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,NA
+O=S1(=O)OCCCO1,TP
+O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,TN
+CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,TN
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,TN
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,TP
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,TN
+Cc1ccc(cc1)S(=O)(=O)N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
+OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,TN
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,TN
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+O=C/C=C(\CCC=C(C)C)/C,TN
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+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,TP
+Nc1ccc(c(c1)C)C,TP
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+[N-]=[N+]=CC(=O)NCC(=O)NN,TP
+[O-][N+](=O)c1ccc2c3c1cccc3C=C2,TP
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,TP
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,FP
+O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,FP
+O=C/C=C/c1ccco1,TN
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+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,TN
+CCCC(=C)C=O,TP
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+OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,TN
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+Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
+[O-][N+](=O)NC(=N)N(N=O)CCCC,TP
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+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,TP
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,TP
+Clc1ncccc1Cl,FN
+OCc1c(CO)cnc(c1O)C.Cl,NA
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+C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,FN
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+CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,TP
+CCCON(C(=O)c1ccccc1)OC(=O)C,TP
+c1cnc2c(c1)CCC1C2O1,TN
+ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,TP
+Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,FP
+COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],TP
+CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,TN
+Clc1cc(O)c(c(c1)Cl)Cl,TN
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+Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,TP
+N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,FP
+NC(=N)c1c(F)c(F)ccc1C(F)(F)F,TN
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,TP
+OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,TN
+OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,TP
+Nc1cccc2c1c1ccccc1cc2,FP
+O=NN(C(=O)c1c(NC)ncn1C)C,FN
+Oc1ccc2c(c1N)cccc2,FP
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,TN
+COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,TN
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,TN
+COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,TN
+Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,TN
+N[C@@H](C(=O)O)Cc1ccccc1,FP
+CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,TP
+COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,TP
+COc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,TN
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,TP
+N#Cc1ccc2c(c1)nc([nH]2)N,TP
+Oc1ccc(cc1)C(=O)O,TN
+Nc1sc2c(n1)c(Cl)ccc2,TN
+CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,FP
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],TP
+CCc1c2ccccc2cc2c1c1ccccc1cc2,FP
+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,FN
+COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,TP
+C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,TN
+COc1nc(NC(=O)N)nc(c1)OC,TN
+c1ccc(cc1)Cc1ccccc1OCC1CO1,TP
+CCN=NC(OO)(C)C,FP
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,TN
+OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,FN
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,TN
+O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,TN
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,TP
+CCN([N+](=NO)[O-])CC,TP
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],TP
+CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,TN
+CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,TN
+Cl/C=C(/C(Cl)Cl)\Cl,TP
+OCc1ccccc1,FP
+CCSCCOP(=S)(OC)OC,TN
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,TP
+CC1=CC2CCCCC2c2c1cccc2,TP
+c1cnc2c(c1)c1c(cc2)CCC2C1O2,TP
+Nc1cccc(n1)N,FN
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,TN
+COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,TP
+Nc1ccc(c(c1Cl)Cl)Cl,TN
+CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,TN
+Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,TP
+Cc1cc(ccc1N)/N=N/c1ccccc1C.Cl,TP
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,NA
+Cc1nccc2c1[nH]c1c2cccc1,TP
+ClCC1=CC(=O)OC1,TP
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,TP
+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,FP
+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],TP
+ClC(C1=C(Cl)C(=O)OC1O)Br,TP
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,TP
+CCCCCN1C2C1c1ccccc1-c1c2cccc1,TP
+[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,TP
+O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,TN
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],TP
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,TP
+C[N+]1(C)CCOCC1.Cl,TN
+Clc1ccc2c(c1)nsc2N,FN
+ClCC(=O)Nc1snc2c1cc(Cl)cc2,TP
+CC(=O)c1ccc[nH]1,FN
+CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,TN
+CC(CCOC(=O)CC(C)C)C,TN
+ClC(C(=O)C)Cl,FN
+CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,TP
+OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,TP
+CC1=CC[C@H](CC1)C(=C)C,TN
+N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,TP
+OCC#C,FN
+CCn1c(N)nc2c1ccc1c2nc(cn1)C,TP
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,TP
+c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,FP
+Clc1cccc(c1)C(=O)O,TN
+OC(=O)[C@H](O)C,TN
+COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,TP
+O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,TN
+OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,FP
+O=C1CCCCCN1,TN
+O[C@@H]1COC(=C(C1=O)O)C,FN
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,TN
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],TN
+Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,TP
+c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,TP
+CC(Nc1ccc(cc1)Nc1ccccc1)C,TN
+CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,TP
+O[C@@H]1OC(=O)C(=C1Cl)Cl,TP
+Oc1cccc2c1c(O)c1c(c2)cccc1O,FP
+Cc1ccc(cc1)N=NN(C)C,TP
+O=CN(C)C,TN
+Nc1ccccn1,TN
+NCCc1ccc(c(c1)O)O,FN
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,TP
+Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,TN
+Clc1cccc(c1)C(=O)Cl,FN
+ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],TN
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,TP
+CC(OS(=O)(=O)C)C,FN
C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],NA
-S=C=NCCc1ccccc1,NA
-CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,NA
-CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,NA
-CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,FP
-C=C1CC[C@H]2C[C@@H]1C2(C)C,NA
-C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,NA
-OC/C(=C(/CO)\Br)/Br,NA
+Clc1cc(Cl)cc(c1)Cl,TN
+C1NCCS1,FN
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O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,TP
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-[N-]=[N+]=CC(=O)NCC(=O)N,NA
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-[O-][N+](=O)c1ccc(cc1)COc1ccccc1,NA
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-CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,NA
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-O=c1[nH][nH]c2c1cccc2,NA
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-O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,NA
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O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,TP
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-[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],NA
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-O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,NA
-C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,NA
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-O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,NA
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-CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,NA
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-c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,NA
-c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,NA
-O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,NA
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-O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,NA
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-[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,NA
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-C/N=N/O,NA
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+CNC(=O)ON,TP
+BrCC(CBr)Cl,TP
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+Cc1cc(nc(n1)O)C1CC1,TN
+c1ccc(cc1)Oc1ccccc1,TN
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+CC(Cc1ccc(cc1)C(C(=O)O)C)C,NA
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+COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,NA
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+CCOCN(c1c(C)cccc1CC)C(=O)CCl,TN
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+Cc1c2ccccc2cc2c1c1ccccc1cc2,TP
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+C1O[C@H]1C=O,TP
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+O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,TN
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+O=C1C=CC(=O)O1,TN
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+Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],TP
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+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,TN
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+[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,TP
+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,TN
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+c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,TP
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+O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,TN
+c1ccc(cc1)N(c1ccccc1)c1ccccc1,TN
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+OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,FN
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+CN(C)C,TN
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+OC(=O)CS.[Na+],TN
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+Nc1ccc(c(c1)Cl)Cl,TN
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+[O-][N+](=O)c1cccc2c1c1ccccc1o2,TP
+CC(Cl)(Cl)C,TN
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+[N-]=[N+]=NCC(C(=O)O)(N)C,TP
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+FC(C(F)(F)F)(Cl)F,TN
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+[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
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+CC(=O)N(c1ccc(c(c1)Cl)Cl)O,TN
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+OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,TN
+CC1CCN(CC1)N=O,TP
+Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],TN
+Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,TP
+Cc1cccc(c1)N.Cl,TN
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,TN
+O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,TN
+OC(=O)C[N+](C)(C)C,TN
+C[C@H]1CS1,TN
O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,NA
-CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,NA
-COc1nsc2c1cccc2OC[C@H]1CO1,NA
-CNNC,NA
-[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,NA
-N#C[C@@H]1COCC[N@]1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,NA
-C[C@@H](c1ccccc1)N(C)C,NA
-OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,NA
-CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,FP
-COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,NA
-C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,NA
-O=C1CC[C@H](N1C)c1cccnc1,NA
-CCCCC/C=C/C=C/C=O,NA
-Clc1ccc(cc1)C[C@@H]1OC1,NA
-C/C=C/C=C/C(=O)O.[K+],NA
-O=C/C=C(/CCC=C(C)C)\C,NA
-c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,NA
-CN(c1ccc(cc1)/N=N/c1ccccc1)C,TP
-OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],NA
-O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,NA
-Cc1cccc2-c3c([C@H](c12)C)cccc3,NA
-SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,NA
-Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,NA
-CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,NA
-O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,NA
-Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,TP
-COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,NA
-NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,FP
-CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,NA
-Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,NA
-O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,NA
-CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,NA
-O=C/C=C/c1ccco1,NA
-CCCCCCCCCCCCCCCCCC(=O)O.[Li+],NA
-COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,NA
-Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,TP
-CCCC[N+](=O)[O-],NA
-[O-][N+](=O)c1nc[nH]c1c1ccccc1,NA
-N[C@H](C(=O)O)CSCCCl,NA
-OC(=O)O.[Ca+2],NA
-OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,NA
-Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,NA
-O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,NA
-O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O.[Na+].[Na+],NA
-C=CC(=O)OCCOC(=O)C=C,NA
-O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],TP
-C/C=C/C=C/C=O,NA
-CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,NA
+ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,TP
+CC([N+](=O)[O-])C,TP
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+CCOCn1c(=O)n(cc(c1=O)F)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,TN
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,TP
+c1ccc(cc1)CNc1ncnc2c1[nH]cn2,FP
+c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,TP
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+N#Cc1ccc2c(c1)n(C)c(n2)N,TP
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+CCOC(=O)CNC(=O)CBr,FP
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+COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,TN
+O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,TN
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+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,TP
+C=COC(=O)C=C,TN
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+Cc1cc(N)c(cc1N)C,TP
+Clc1ccc(c(c1)C(=O)O)Cl,TN
+CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,TN
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+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,TP
+CC[C@@H](NCCN[C@@H](CO)CC)CO,TN
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+CCN(c1ccc(cc1)[N+]#N)CC,TP
+c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,TP
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+OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,TP
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+O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],FN
+CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,TN
+Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,TN
+C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,TN
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
+Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,TP
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,TN
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+CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,TN
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+NC(=O)c1cccc(c1)[N+](=O)[O-],TP
+O=C1CCCN1c1ncc(s1)[N+](=O)[O-],TP
+Nc1ccc2c(n1)n1cccc(c1n2)C,TP
+Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,TP
+C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,FN
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+ONc1cc(C)ccc1C,TP
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,TP
+COCCOCCO,TN
+OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,TN
+Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,TP
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+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,TP
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+CCC(=O)Nc1snc2c1cccc2,TN
+Oc1cnnc(n1)O,FN
+OC[C@H]1CCCO1,TN
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+Nc1ccc(c(c1)N)N=Nc1ccccc1,TP
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,TP
+C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,TN
+COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],TP
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+OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,TN
+CCCOO,FN
+CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,TN
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,TN
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,TN
+OCCOCCOCCO,FN
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+COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,TP
+Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],TP
+O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,TP
+N#N=Nc1nc2c(n1C)c1ccccc1cc2,TP
+OC(=O)c1ccccc1.[Na+],TN
+N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
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+COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,TP
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+CN(/N=N/c1ccc(cc1)Br)C,TP
+CC(=C)[C@@H]1CC=C(C(=O)C1)C,TN
+O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,TN
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2,TP
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,TP
+CCCCCCCCCCCCCCCCCCO,TN
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,FN
+CCCCCO,TN
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+O=C(Nc1ccccc1)CC(=O)C,TN
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],TP
+OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,FP
+CCC(=O)C=C,FN
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+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,TN
+OC(=O)c1ccccc1N,TN
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,TN
+OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,TP
+[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,FP
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
+Oc1cc(Cl)cc(c1)Cl,TN
+O=c1ccc(c[nH]1)C(F)(F)F,FN
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+O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,TP
+O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,TP
+CN(Cc1ccccc1)C,TN
+ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,TP
+CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,TP
+Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,TN
+Fc1ccc2c(c1)nccc2,FN
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+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,FP
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],TP
+[O-][N+](=O)c1ccc(c(c1)Cl)Cl,TP
+OC1CC(C)(C)N(C(C1)(C)C)O,FN
+c1cnc2c(c1)c1CCC3C(c1cc2)O3,FP
+Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,TP
+[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,TN
+ClC(c1ccccc1)C(=O)NCc1ccccc1,FN
+[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,TN
+Cn1cccc1,TN
+ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,TN
+CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,TP
+Cc1ccc2c(c1C)c1ccccc1cc2,FP
+BrCc1c2ccccc2c(c2c1cccc2)C,TP
+CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TP
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,TN
+[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
+O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,TP
+C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,FN
+COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,TP
+Cc1ccc(cc1)CC1OC1,TP
+Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+[O-][N+](=O)c1ccc2c(c1)cccc2,TP
+Nc1ccccc1,TN
+CCCC[C@H](COC(=O)CCCCC(=O)O)CC,TN
+CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,TN
+ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,TN
+O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,TP
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,TP
+OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],TP
+BrCCOC(=O)C(C(C(=O)OCCBr)O)O,TP
+CCCCCCCC/C=C\CCCCCCCC(=O)OC,TN
+[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],TP
+C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,TP
+C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,TN
+O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,TN
+[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,TP
+c1ccc2c(c1)nc1-c3cccc4c3c(-c1c2)ccc4,TN
+Oc1ncnc2c1cccc2,FP
+N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],TP
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,TP
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O.[Na+].[Na+],NA
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],TP
+OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,FP
+CC[C@H]([N+](=O)[O-])[C@H](O)C,TN
+Nc1cc(N)c(cc1/N=N/c1ccccc1)C,TP
+Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,FP
+CN(CCCN1c2ccccc2CCc2c1cccc2)C,TN
+COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,TP
+COc1cc(ccc1OC)Cc1cnc(nc1N)N,NA
+OCC[N+](C)(C)C,TN
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,TN
+Nc1cccc2c1cc1ccccc1c2,TP
+Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,TN
+Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],TN
+O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,FP
+Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,TP
+Nc1ccc(cc1)/N=N/c1ccccc1,TP
+CCC#N,TN
+O=C(Nc1ccccc1C)CC(=O)C,TN
+ONc1cnc2c(c1C)nc1n2cccc1C,TP
+[O-][N+](=O)c1ccc2c(c1C)cccc2,TP
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,TP
+BrCc1ccccc1[N+](=O)[O-],TN
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,TP
+O=Cc1cccc(c1)[N+](=O)[O-],TP
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],TP
+[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,TP
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,TN
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,TP
+C[n+]1c2ccccc2cc2c1cccc2N.Cl,TP
+CCCOS(=O)(=O)C,TP
+CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,TP
+ONc1cccc(c1)c1ccccc1,FP
+NC(C(=O)O)CSC(C(F)F)(F)F,TN
+ONc1nc(N)nc2c1[nH]cn2,FN
+CC1CCCC2(C1(O)CCCC2)C,TN
+Clc1ccccc1C(F)(F)F,TN
+CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,TN
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccccc1)S(=O)(=O)O,FP
+CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,TN
+Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,TP
+[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,TP
+C/C=C/c1ccc(c(c1)OC)O,TN
+[O-][N+](=O)c1ccccc1Br,TP
+CNC[C@H](c1ccc(c(c1)O)O)O.Cl,TN
+COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
+COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],TP
+CCCCON(C(=O)c1ccc2c(c1)cccc2)OC(=O)C,TP
+c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,TP
+OCCCCN(N=O)CC,TP
+CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,TP
+CCOC(=O)C(Br)C,TP
+O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],TN
+ClCC1=C(Cl)C(=O)OC1,TP
+CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,TP
+CC(=C)C(=O)OC[C@@H](CBr)Br,NA
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-[O-][N+](=O)c1ccc2c(c1)cc(c(c2)[N+](=O)[O-])[N+](=O)[O-],NA
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-[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,TP
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-[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,NA
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-COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OC)O)ccc1O,NA
-OCCN1CN(CCO)CN(C1)CCO,NA
-O=c1c2ccccc2[nH]c2c1cccc2,TN
-ClCC=CCCl,NA
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[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],TP
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-[O-]/[N+](=N\c1ccccc1)/c1ccccc1,NA
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-[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,NA
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-OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,NA
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-OC(CN=[N+]=[N-])CN=[N+]=[N-],FN
-Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,FP
-CN(/N=N/c1ccc(cc1)Cl)C,NA
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-CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,NA
-CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,NA
-O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,NA
-Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,NA
-C[n+]1c2ccccc2cc2c1cccc2.Cl,NA
-COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,NA
-OC1=CC(=O)C1=O,NA
-[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],NA
-O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,NA
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-OC(=O)CC[C@@H](C(=O)O)N.[K+],NA
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-OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,NA
-CNC[C@@H](c1ccc(c(c1)O)O)O,NA
-O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,NA
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-Cc1ccc(cc1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,NA
-O=C1C=C(O)C(=O)c2c1cccc2,NA
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-CCCCCCCCCCCC(=O)OCCS(=O)(=O)O.[Na+],NA
-C[C@@H](C(C)(C)C)O[P@@](=O)(Cl)C,NA
-OC(=O)/C=C\C(=O)O.COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,NA
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Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
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-[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,TP
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-[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,NA
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+Fc1ccc2c(c1F)cccn2,TP
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+[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,FP
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+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)C(C)(C)C,FP
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+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,NA
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+OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,FP
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+CCCCCCCCCCCCCCCCCCN,TN
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+OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,FP
+O=C1C=CC(=NC(=O)C)C=C1,TN
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+CC(=O)Nc1cccc2c1nccc2,FN
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+CCCCCN(N=O)CCCCC,FN
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+O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,TN
+N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,FP
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,TP
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+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,FN
+ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,TP
+[O-][N+](=O)c1cccc2c1oc1c2cccc1,TP
+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,TN
+NCCN1CCNCC1,TN
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,TN
+CCCCCCCCCCCCCCCCCC(=O)O.[Li+],TN
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,TP
+OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,TP
+[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,TP
+OC(=O)C[C@@H](C(=O)O)C,TN
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+n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,TP
+CNCC(=O)O,TN
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+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
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+ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,TP
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+[O-][N+](=O)c1ccc(c(c1)O)N,TP
+C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,TN
+Nc1nc(N)c2c(n1)[nH]cn2,TN
+c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,TP
+OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,TP
+ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,TP
+Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,FP
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,TN
+Nc1cccc(c1)Cl,TN
+COCCO,FP
+OCCN(CCO)CCO,TN
+CCCNc1snc2c1cccc2,TN
+CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,TP
+CCCCN,TN
+Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,TP
+CCC(=O)C,TN
+Cc1ccc(cc1)Cl,FP
+Nc1ccc(cc1)Br,TN
+[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,FP
+CC(CCOS(=O)(=O)C)C,TP
+CNc1ccccc1,TN
+OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,TN
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,TP
+Cc1ccc(cc1C)S(=O)(=O)O.[Na+],TN
+N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,TP
+C1CCC2C(C1)c1ccccc1C=C2,TP
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,TP
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,TN
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,TN
+Nc1cccc(c1)[N+](=O)[O-],TP
+Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,TP
+C=CCCCC[C@@H]1OC1,FN
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
+COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,TN
+Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],TN
+O1CCOCC1,TN
+Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],TP
+ClCC=C,TP
+Oc1cccc(c1C)O,FP
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,TN
+FC(C(C(F)(F)F)F)F,TN
+O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,TN
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,TN
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
+O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,NA
+CCCCCOC(=O)C(=C)C,TN
+O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,TP
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,TP
+CCN,TN
+Nc1ccc(c(c1)[N+](=O)[O-])N,TP
+[O-]P(=O)(OC)O,TN
+Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,TP
+COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,FP
+ClCCOC(=O)C=C,FN
+COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,TN
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,TP
CCn1c2ccc(cc2c2c1cccc2)N.Cl,TP
-OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,NA
-OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],NA
-Nc1ccc(cc1)N.Cl.Cl,NA
-OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,NA
-COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,NA
-CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,NA
-OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,NA
-CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,NA
-COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,NA
-OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],NA
-OC(=O)C(Cl)(Cl)Cl.[Na+],NA
-OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,NA
+O=Nc1ccc(cc1)c1ccccc1,TP
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,TP
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,TP
+ClC(C(Cl)(Cl)Cl)Cl,TN
+OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,TN
+Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,FP
+O=C(C1(C)OC1)NCc1ccccc1,TP
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,TP
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,TN
+CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,FP
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],TP
+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,TP
+CNc1nc(OCC(F)(F)F)nc(n1)N,TN
+COc1c(O)cc2c3c1-c1ccccc1CC3N(CC2)C,TP
+CC(=O)C,TN
+C1CC2CCc3c(C42C(C1)O4)cccc3,TN
+OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,TP
+Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,TP
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,TN
+Nc1ccccc1S,TP
+[O-][N+](=O)c1ccc2c(c1)cns2,TP
+Cn1c2ccc3c(c2c2c1ccc1c2cccc1)cccc3,TP
+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,TN
+COc1ccc(cc1)/N=[N+](/c1ccc(cc1)OC)\[O-],TP
+C[C@H]1CO1,FN
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,TN
+COc1ccn(c(=O)n1)CC(CN=N#N)O,TP
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,TP
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,TN
+C[C@H](c1ccccc1)O,TN
+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
+O=C(C1(C)OC1)Nc1ccccc1,TP
+c1ccc(cc1)Nc1ccccc1,TN
+O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,TP
+Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,TN
+Nc1ccc(cc1)N,TP
+CC(=O)Nc1ccc2c(c1)nccc2,FN
+OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,TP
+Br[C@@H](C=O)CBr,TP
+CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,TP
+NNc1ccccc1,TP
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,TP
+COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,TP
+c1cc2CCc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,TP
+Cc1cccc2c1cc1ccccc1c2,FP
+O=Cc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,TP
+O=C1CCCCCO1,TN
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,TN
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,TP
+CC(C1=CC2=CC[C@H]3[C@]([C@H]2CC1)(C)CCC[C@@]3(C)C(=O)O)C,TN
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,TP
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,TN
+ONc1ccc(cc1)N=O,TP
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
+NC(=O)O[C@H]1CO1,FN
+OC(=O)c1cccc(c1Cl)Cl,TN
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,TP
+CCCC(=O)Nc1snc2c1cc(C)cc2,TN
+CCCCN(C[C@@H](CC)O)N=O,TP
+NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,TP
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,TP
+c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,TP
+O1CCC2(CC1)CO2,TP
+CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,TN
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,TN
+CCCCCCC=O,TN
+CC[C@H](OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
+Clc1cc(Cl)c(c(c1)Cl)Cl,TN
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,TP
+NC(C(=O)O)CN=N#N,TP
+Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,TP
+Fc1ccccn1,FN
+CC(=O)Nc1ccccc1C,FN
+O=P1(OCc2c(O1)cccc2)Oc1ccccc1,NA
+CC(=O)Nc1snc2c1cc(Cl)cc2Cl,FP
+OCC1CC1,FP
+OC(=O)c1ccc(cc1)N,TN
+O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,TN
+Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],TN
+c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,TP
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,FN
+Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,TN
+Brc1ccc(cc1)c1ccccc1,FP
+CCCC(=O)Nc1snc2c1cc(Cl)cc2,TN
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],TN
+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,NA
+Nc1ccc(c(c1)C(F)(F)F)Cl,TN
+NCCCNCCCN,TN
+CC(CCON=O)C,TP
+O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,TN
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,TP
+CCOCCOC(=O)C,FN
+CCCCCCCCCCCCCCCCN,TN
+COc1ccc(cc1)N=O,TP
+NC(C(=O)O)COC(=O)/C=N#N,TP
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,TN
+C/C(=N/O)/CC,FN
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,TP
CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,NA
-Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],NA
-COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,NA
-Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,NA
-c1ccc2c(c1)c(ccc2)C[C@H]1CO1,NA
-OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,NA
-COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,NA
-SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,NA
-Oc1ncnc(n1)O,NA
-OC1=CC(=O)C1=O.[Na+],NA
-OC(=O)[C@H](O)C.[Na+],NA
-Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],NA
-Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,NA
-N/N=C/1\N=NC=C2[C@H]1C=CC=C2,NA
-O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],NA
-O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,NA
-Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,NA
+CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,TN
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,TP
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,FN
+CCCN(CCCCO)N=O,TP
+CCCCNc1snc2c1cccc2,TN
+ONc1ccc(c(c1)C)C,TP
+C/C/1=C/CCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C,TN
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,TN
+Clc1cc(Cl)c(cc1O)Cl,TN
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+Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
+NC(C(=O)O)CCCCNCC(C(=O)O)N,TN
+NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,TN
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],TN
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,TN
+c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,TP
+O=C([C@@H](c1ccccc1)N)N[C@@H]1C(=O)N2[C@H]1SC([C@@H]2C(=O)OCc1oc(=O)oc1C)(C)C.Cl,TN
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+Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,TN
+CCOC(=O)CC(=O)C,TN
+C1CCCC2C(CC1)O2,TN
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+ClCCN(CCCl)CCCl,FP
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+CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)[N+](=O)[O-],FN
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+CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,TN
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,TP
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+C=CC(=O)OCCCCOC(=O)C=C,TN
+ONc1ccccc1c1ccccc1,TP
+CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,FP
+CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,TN
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,TP
+COc1ccc2c(c1)[nH]c1c2CCN=C1C,TN
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+c1ccc2c(n1)cnnc2,TN
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+c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,TP
+OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,TP
+Oc1cccc2c1nccc2,FN
+ONc1ccc(cc1)N=Nc1ccccc1,TP
+Oc1ccc(cc1)Cl,FP
+Oc1[nH]nc2c1cccc2,TN
+Nc1nc(O)c2c(n1)nn[nH]2,TN
+O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,TN
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+CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,TN
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],TP
+Cc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
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+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,TP
+Cc1cc(C)c2c(c1)ccc1c2cccc1,TP
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,TP
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+CCCCCC(=O)OCC,TN
+C[C@]1(OC1)c1ccc(cc1)c1ccccc1,TP
+CCCCOC(=O)c1ccc(cc1)O,TN
+OCCCBr,TP
+c1ccc(cc1)N=Nc1ccccc1,TP
+ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,TN
+Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,TN
+COc1nsc2c1cc(N)cc2,TP
+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,TP
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,TN
+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,TN
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],TP
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,TP
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,TP
+SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
+Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,TP
+Nc1cccc2c1cc1ccccc1n2,TP
+COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
+C(C1OC1)CC1OC1,TP
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,TP
+[O-][N+](=O)c1ccc2c3c1CCc3ccc2,TP
+N=C(Nc1ccccc1)Nc1ccccc1,FN
+CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,FN
+Fc1cnc2c(c1)cccc2,FP
+Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,TP
+O/N=C/C1N(CCCN(C)C)C=CN1C,TN
+CNC[C@H](c1cccc(c1)O)O,TN
+OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,TN
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+O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,TN
+c1ccc(cc1)c1ccccc1OCC1CO1,TP
+CCCCCCCC(=O)O,TN
+O=C1C=CC(=O)c2c1c(O)ccc2,FN
+OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,TP
+OC(=O)c1cc(Cl)cc(c1)Cl,TN
+OC(=O)C[C@H](C(=O)O)O,TN
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,TN
+C1CCC[C@H]2[C@@H](CC1)O2,TN
+NC(C(=O)OC(C)(C)C)CN=N#N,TP
+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
+C[N+]1(C)CCOCC1,TN
+Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,TN
+[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],TP
+Nc1ccc(c(c1C)N)/N=N/c1ccccc1,TP
+[O-][N+](=O)c1ccc2c(c1)nc[nH]2,TP
+CCCCC1CO1,FP
+CC1CCCC1,TN
+Oc1cccc2c1c1ccc3c(c1cc2)cccc3,TP
+COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,TN
+Cc1cc(N)c(cc1C)C,TP
+CC(CNc1snc2c1cccc2)C,TN
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,FN
+CN1CCc2c3[C@H]1[C@H](O)c1ccccc1-c3c1c(c2)OCO1,TP
+CC(=O)Nc1ccnc2c1cccc2,FP
+COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,FN
+NC(=O)c1ccccc1,TN
+OCC=C,TN
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,TP
+O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,TN
+O=NN(c1cccnc1)C,FP
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,TN
+CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,TP
+NCCNCCNCCNCCNCCN,FN
+CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,TN
+Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,FP
+[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,TP
+O=C/C=C\c1ccco1,TN
+O[C@@H]([C@H]1CO1)CO,TP
+ClCC(=O)Nc1snc2c1cccc2,TP
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,FN
+ClCC(=C)Br,TP
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+C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,TP
+Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],TP
+Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,TP
+Cc1cccc2c1ccc1c2ccc2c1cccc2,TP
+OCC(CO)(CO)CO,TN
+Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,TN
+CC(Nc1nc(N)nc(n1)Cl)C,TN
+C=CC(=O)OC(C)(C)C,TN
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,TP
+CCc1ccccc1,TN
+C=CCc1ccc2c(c1)OCO2,TN
+CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,TN
+C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,TN
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,TN
+CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,TN
+O=C1C[C@H]2C([C@]1(C)CC2)(C)C,TN
+[O-][N+](=O)c1nc[nH]c1c1ccccc1,TP
+O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,NA
+OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,TP
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+Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,FP
+Oc1ccc(cc1)/C=N/c1snc2c1cccc2,TP
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,TN
+O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,TP
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,TN
+N#Cc1ccc(cc1)[N+](=O)[O-],FP
+CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,TN
+CCCCN(N=O)CCCC,TP
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,FP
+[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,FP
+COc1nncc2c1cccc2,TN
+O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,TN
+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,TN
+C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,TN
+OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,TP
+COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,TP
+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,TP
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,TN
+CCCCB(CCCC)CCCC,FN
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],TP
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,FN
+OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,TN
+CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,TP
+Clc1cccc(n1)Cl,TN
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,FP
+OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,FP
+ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,TP
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,TP
+COP(=O)(OC)C,TN
+CCCCCCCCCCCl,TN
+OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,TN
+OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,TN
+Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,TP
+C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,TP
+ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,TP
+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,TN
+OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,TN
+[O-][N+](=O)c1ccc2c(c1)CCN2,TP
+c1ccc2-c3c([C@@H]4[C@H](c2c1)O4)c1ccccc1c1c3cccc1,TP
+Cc1ccc(c(c1)C)N,TP
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+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,TP
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+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,TP
+COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,TN
+OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],TN
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+Nc1cc(Cl)cc(c1)Cl,TN
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+[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],TN
+ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,TP
+Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,TP
+Br[C@H](CBr)COC(=O)C=C,TP
+OCCN(C)C,TN
+Cc1cc2cc3ccccc3c3c2c2c1cccc2cc3,TP
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,TP
+CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,TN
+Nc1cccc2c1ccc1c2cccc1,TP
+CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,TP
+CCN=NO,TP
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,TN
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+COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,TP
+C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,TN
+COC(=O)C,FP
+Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,TN
+Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,TN
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],TN
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,TP
+n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,TP
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,TN
+CCC(COC(=O)CCCCC(=O)O)CCC(O)C,TN
+OC(=O)CC[C@@H](C(=O)O)N.[K+],TN
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,TP
+c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,TP
+Cn1c(N)nc2c1cc1ccccc1c2,TP
+ClCCCC(=O)N(c1snc2c1cccc2)C,FP
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,TN
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,TN
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,TP
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,FP
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,TN
+CCCCCNCCCCC,TN
+Nc1ccc(cc1)O,TN
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,TN
+CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,FP
+Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
+OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],TP
+CCCCON(C(=O)c1ccccc1)OC(=O)C,TP
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,TN
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,TP
+CN1CCN(CC1)C,TN
+Cc1ccc(cc1)OC[C@@H]1OC1,TP
+ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,TP
+NC[C@H](N)C,TN
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],TP
+OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,TN
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,TN
+CCC/C=C(\C=O)/CC,TN
+CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,TP
+C=CC(=O)OCC(C)(C)C,TN
+NCCC#N,TN
+Cc1cc(C)cc(c1)N,FN
+N#N=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,TP
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,FN
+CC(=O)Nc1ccc(cc1)O,TN
+COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,TN
+CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,TP
+CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,TP
+CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],TN
+Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,TP
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,TP
+OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,TN
+COc1c2ccc(=O)oc2c(c2c1cco2)OC,FP
+ClC1OC1CBr,TP
+ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,TN
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,TP
+CC(CCCCCCCOC(=O)C(=C)C)C,TN
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,TN
+[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,TP
+OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,TP
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,TP
+Clc1ccc(c(n1)C(=O)O)Cl,TN
+[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,TP
+NCCC(N)C,TN
+CC/C=C/C=C/C=C/C=C/C=O,FP
+Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,TP
+CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,TN
+C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,TN
+Clc1ccc(c(c1)Cl)O,TN
+CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],FN
+ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,TP
+O=Nc1c(O)ccc2c1cccc2,FP
+[O-][N+](=O)c1ccc2c(c1)cccn2,TP
+CC1(OC1)c1ccccc1,FN
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],FP
+OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],TP
+C1OCCO1,TN
+CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,NA
+[O-][N+](=O)c1cc2c(Cl)nsc2cc1,TP
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,TP
+COc1c2N(C)[C@@H]3[C@](c2cc(c1OC)Cl)(O)[C@H]([C@@]12N3C(=O)[C@@](C)(SS1)N(C2=O)C)O,TN
+BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,TP
+[O-][N+](=O)c1cccc(c1O)N,TN
+NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
+CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,TP
+O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,TN
+O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,TN
+CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,TP
+C[C@H](COC[C@H](O)C)O,TN
+c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,FP
+OCC(CO)O,TN
+C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,TP
+C=CC(=O)OCCCCCC(C)C,TN
+CO[P@](=O)(NC(=O)C)SC,FP
+Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,TN
+CC(=O)Nc1cccc2c1-c1ccccc1C2,TP
+O/N=C(/c1cc(O)c(c(c1)O)O)\N,TP
+ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,TP
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].[Na+],TN
+C/N=N/O,TP
+Nc1cccc2c1nccc2,TP
+CC(=O)Nc1cccc2c1cccn2,FP
+CC(c1ccccc1)N(C)C,TN
+Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,TP
+CCCCN1C2C1c1ccccc1-c1c2cccc1,TP
+OC(=O)C(CC(=O)c1ccccc1N)N,TN
+Cc1ccccn1,TN
+N/N=c/1\sc2c(n1C)cccc2,TP
+C1CCCCC[C@H]2[C@H](CCCC1)O2,TN
+C1CCC2(CO1)CO2,TP
+Oc1cccc(c1)O,TN
+CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,NA
+c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,TP
+COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,FP
+OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,NA
+NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,TN
+Clc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+CC(=C)C#N,TN
+CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,NA
+COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,TP
+[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],TP
+Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,TP
+Cc1nccc2c1[nH]c1c2cccc1.Cl,TP
+CCCCCON=O,TP
+Oc1ccc2-c3c4c(-c2c1)cccc4c(cc3)[N+](=O)[O-],TP
+NC(=O)NO,FN
+ClCCN(C(=O)NC1CCCCC1)N=O,TP
+CCCC[C@H]1CO1,FP
+CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,TN
+Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,TP
+OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,NA
+CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,TN
+CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,TN
+ClC[C@H]1CO1,TP
+O=NN1CCC[C@@H](C1)O,TP
+OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,NA
+O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,TN
+N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
+SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,TN
+OCC(C(C(C1SCCN1N=O)O)O)O,TN
+OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],TN
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],NA
+CC(O)(C)C,TN
+OC1CC2C(C1(C)CC2)(C)C,TN
+Cc1cc2c(nc1N)[nH]c1c2cccc1,TP
+O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,TN
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,TP
+N#N=NCCC(C(=O)O)N,TP
+CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,TP
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,TN
+CNC(=O)ON(C(=O)NC)C(=O)NC,FP
+c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,FN
+COc1ccc(cc1N)N,TP
+Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,TP
+OC1C(O)C=Cc2c1cccn2,TN
+OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,TN
+OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,NA
+[O-][N+](=O)c1cc(C)c2c(c1)cccc2,TP
+OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,FP
+OC(=O)c1ccccc1C(F)(F)F,TN
+OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,FN
+OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,TN
+OC1C2OC2c2c(C1O)ccc1c2cccc1,TP
+CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,TN
+CC(=O)N(c1ccccc1C)O,FN
+Cc1ccc2c(n1)cccc2,TP
+CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,TN
+O=C1C=C(N)c2c(C1=O)cccc2,FN
+OC(CO)CN=N#N,TP
+CCCCCCCCCCCCCN1CC(C)OC(C1)C,TN
+[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,TP
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,TN
+OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,TP
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccc(cc1)[N+](=O)[O-])/sn2C(=O)c1ccc(cc1)[N+](=O)[O-],TP
+c1ccc2c(c1)cc(cc2)OCC1CO1,TP
+Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,FP
+[O-][N+](=O)c1cncn1C,TP
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,TN
+ClCC(CCl)Br,TP
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,TP
+[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],TP
+Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],TP
+CCCCOCCO,TN
+ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
+CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,FN
+CNNCc1ccc(cc1)C(=O)NC(C)C,NA
+O=C1CCc2c1c1ccc3c(c1cc2)cccc3,TP
+[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,TP
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,TP
+CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,TP
+CC(=O)/C=C/C1=C(C)CCCC1(C)C,TN
+Cn1cnc2c1ccc1c2cccn1,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,TP
+COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,TP
+COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,TN
+ClCC(=O)OC(C)C,TN
+CNCCCN1c2ccccc2CCc2c1cccc2,FP
+OC(=O)c1cccnc1,TN
+O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],TP
+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,TP
+Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,TN
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,TP
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,TN
+NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,TN
+CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,TN
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,TP
+[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,TP
+OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,TP
+SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,TN
+CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,TN
+C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,TP
+CCNC(=O)CCC(C(=O)O)N,TN
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,TN
+Clc1ccc(cc1)C(Cl)(Cl)Cl,TP
+OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,TN
+OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,FN
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+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],TN
+CCCCCCCCBr,TN
+Nc1cccc(c1C)N.Cl.Cl,TP
+Cc1ccccc1N.Cl,TP
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,TN
+Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TP
+Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,TP
+CCCCCN(CCCCC)CCCCC,TN
+N#N=NCC(C(C(C(CO)O)O)O)O,TP
+Fc1cccc2c1ccc1c2cccn1,TP
+CC[C@@H](CN)O,TN
+CC(CO)Cl,TP
+COc1ccc(cc1)[N+](=O)[O-],FN
+Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,TN
+CCC[C@H]([C@H](CO)CC)O,TN
+[O-][N+](=O)c1ccc(o1)/C(=N\O)/N,TP
+O=Cc1c(Cl)cccc1Cl,TN
+ONc1cc(C)cc(c1)C,TP
+O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,TP
+OC/C=C(\CCC=C(C)C)/C,TN
+c1ccc(nc1)c1ccccn1,TP
+[O-][N+](=O)c1cccc(c1O)c1ccccc1,FP
+OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,TP
+ClC(C(=CC(=O)O)C(Cl)Cl)Cl,TP
+[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,TP
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,FP
+CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,TN
+CCCCCCCCCCCC[C@H]1CO1,TN
+Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,TP
+c1ccc2c(c1)ccc1c2nccc1,TP
+OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,TP
+CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,TN
+NCCc1cc(O)c(cc1O)O,TP
+Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,TP
+c1ccc(cc1)C(c1ccccc1)c1ccccc1,TN
+BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
+ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,TN
+CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,TN
+CC1(C)[C@H]2CC[C@]3([C@@H]1C2)CO3,TN
+OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,FP
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,TP
+O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,FN
+Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,TN
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,TN
+CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,FN
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],TN
+OCCCN=N,FN
+CCCN(N=O)CCC,FN
+O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,TP
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,TP
+CC(C(=O)NCc1ccccc1)Br,TP
+BrCC1=C(Br)C(=O)OC1,TP
+Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,TP
+COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],TP
+C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,FP
+CCCCCCOC(=O)C(=C)C,TN
+Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,TN
+[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1,TP
+Oc1ccc2c(c1)nccc2,TN
+Oc1ccc(c(c1)C)C,FP
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,TN
+[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,TP
+Clc1cncc(c1)Cl,TN
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+O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,TN
+O=c1cn[nH]c(=O)[nH]1.NCCO,FN
+[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],TP
+O=Nc1nccn1C,TP
+Cc1ccc(cc1)NN=NCc1ccccc1,TP
+C[n+]1c2ccccc2cc2c1cccc2N,TP
+ClN1C2C1c1ccccc1-c1c2cccc1,TP
+CC(=O)C(Cl)(Cl)Cl,TP
+O1C2C1c1cscc1-c1c2csc1,TP
+Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,TN
+ONc1ccccc1,TP
+CCC(=O)O[C@@]1([C@H](C)C[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2[C@@H](Cl)CC2=CC(=O)C=C[C@]12C)C(=O)COC(=O)CC,TN
+O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,TN
+Clc1ccnc2c1cccc2,TP
+O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+ClC(=O)c1ccccc1Cl,TP
+C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,FP
+CCCCCC/C=C\CCCCCCOC(=O)C,TN
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,TP
+NC1CC(C)(C)N(C(C1)(C)C)O,FN
+O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,TP
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,TP
+NCCNCCNCCNCCN,TP
+Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,FP
+OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,TP
+CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,TP
+OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],TP
+CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,TP
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,TP
+OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,NA
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],TP
+ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,TP
+Clc1c(Cl)ccc(c1Cl)Cl,TN
+CCC(=O)OCc1ccccc1[N+](=O)[O-],TN
+c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,TP
+NC(=O)CBr,FP
+Cc1cc(O)c(c(=O)o1)C(=O)C,TN
+O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],FP
+COc1nsc2c1cccc2OCC1CO1,TP
+Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,TP
+BrCCOC(=O)CC(C(=O)OCCBr)O,NA
+C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,TN
+COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,FP
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,FN
+Oc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,TN
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
+[O-][N+](=O)c1c(O)ccc2c1cccc2,TP
+CCCCN(CCCC(=O)O)N=O,TP
+CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,TP
+Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,TN
+Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],TP
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,TP
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,FN
+C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,TP
+CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,TN
+Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,TP
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,FN
+Clc1ccccn1,FN
+c1cc2Cc3c4c2c(c1)ccc4ccc3,TP
+Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],FP
+O=C/C=C(/CCC=C(C)C)\C,TN
+Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,TP
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,TP
+Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,TP
+Cl[C@@H](C=C)CCl,FP
+[O-][N+](=O)CC,TN
+CCC/C=C/C(=O)OC1C(C)(C)CC2C1(O)C=C(C=O)C13C2(C1)C(=O)OC3O,FN
+Nc1ccc2c(c1)[nH]c1c2cccc1,TP
+CCCCN(COC(=O)C)N=O,TP
+O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,TN
+CCCCOCC=O,FP
diff --git a/crossvalidations/predictions/mp2d/lazar-all.csv b/crossvalidations/predictions/mp2d/lazar-all.csv
index 3e22a62..967681c 100644
--- a/crossvalidations/predictions/mp2d/lazar-all.csv
+++ b/crossvalidations/predictions/mp2d/lazar-all.csv
@@ -1,8309 +1,8050 @@
-O=C1c2ccccc2C(=O)c2c1c1[nH]c3c(c1c1c2[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O)ccc1c3C(=O)c2ccccc2C1=O,FP
-NNC(=O)CNC(=O)/C=N#N,TP
-N1C(=O)/C(=N#N)/C=NC1=O,NA
-NC(=O)CNC(=O)/C=N#N,TP
-CCCCN(CC(C1=C/C(=N#N)/C(=O)C=C1)O)N=O,TP
-NC(C(=O)O)COC(=O)/C=N#N,FN
-CCN(CC(C1=CC(=O)/C(=N#N)/C=C1)O)N=O,TP
-O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,TN
-Nc1nc(N)nc(n1)N,TN
-Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,TP
-CC(CC(=O)Nc1snc2c1cccc2)C,TN
-[O-][N+](=O)c1cccc(c1C)C,TP
-CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,TN
-[O-][N+](=O)CCC,TN
-OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],TP
-OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,TP
-NC(=O)Nc1nc2c([nH]1)cccc2,FN
-C[C@H](CCC(=O)c1cocc1)O,NA
-Nc1ccc2c(c1)oc1c2cccc1,FN
-Cc1ccc2c(c1)c1cc(C)ccc1cc2,TP
-Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,TP
-CCN(/C(=N/O)/C=O)N=O,NA
-NNc1nnc(c2c1cccc2)NN,TP
-C=CC(=O)NCNC(=O)C=C,FN
-OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,FP
-Cc1ccccc1c1ccccc1,FP
-Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,TN
-Cc1nc(N)nc(n1)N,TN
-CCNc1nc(N)nc(n1)Cl,TN
-C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,TP
-CCCCB(CCCC)CCCC,FN
-CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,TP
-C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,FN
-CCNN=NCC,NA
-Oc1cccc(c1)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
-OCc1ccco1,FP
-c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,TP
-Oc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
-Oc1ccc2c(c1N=Nc1ccccc1)cccc2,TP
-N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,TN
-COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,TP
-CCOC(=O)C(Br)C,FN
-COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,TN
-ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,TP
-OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,TP
-CC[P@](=S)(Sc1ccccc1)OCC,NA
-Nc1ccc(c(c1)N)[N+](=O)[O-],TP
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,TN
+Oc1ccc(c2c1c(O)c1ccccc1c2O)O,TP
+C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,TP
+S=C1NCCN1,FN
+OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,FN
+BrCC=C,NA
+Clc1cc(Cl)c2c(c1)c(/N=C/c1ccc(cc1)[N+](=O)[O-])sn2,TP
+CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,TN
+COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,TN
CCSCCSP(=O)(OC)OC,TN
-OC(=O)c1ccccc1C,TN
-CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,FN
-Brc1ccccc1,TN
-Cc1cc(N)c(cc1Cl)S(=O)(=O)O,TN
-Oc1ccc2c(c1)ccc(c2)SSc1ccc2c(c1)ccc(c2)O,FP
-CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,TP
-Clc1cc(Cl)c2c(c1)c(N)sn2,TP
-ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,TN
-Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,FP
-COCCl,NA
+N#CC(=Cc1ccc(o1)[N+](=O)[O-])C#N,TP
+N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,TP
+CCCCCCCCO,TN
+COP(=O)(OC)C,TN
+C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CC[N@@]3[C@H]2[C@@H](OC1=O)CC3,TP
+Oc1ccc(cc1N)S(=O)(=O)O,TN
+N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl,NA
+COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,TP
+NC(C(=O)O)CSC(C(Br)Cl)(F)F,FN
+CCCN(CCC)CCC,TN
+O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,TP
+Oc1cccc(c1)N(C)C,TP
+OCC(c1ccc(cc1)NC(=O)N(C)C)C,TN
+O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],TN
+OCCN(C)C,TN
+O=C1OCC1(C)C,TP
+O=Nc1[nH]cnc1c1ccccc1,TP
+OO[C@@H]1C=C2C[C@@H](O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@H]([C@@]1(C)CC2)[C@@H](CCCC(C)C)C)C,FN
+O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,TN
+O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,FP
+CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,TN
+OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,TN
+CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,TN
+ClC(=O)OCc1ccccc1,TN
+O=CC1=C[C@@]2([C@]([C@H]1C=O)(C)[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)O,TN
+ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,TP
+c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,TN
+OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],TP
+ClCc1c2ccccc2c(c2c1cccc2)C,TP
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,TP
+CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,FP
+Oc1[nH]cnc2-c1cnn2,TN
+[O-][N+](=O)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,TP
+O=C1CCCN1C,TN
+OC(=O)CC(C(=O)O)O,TN
+C#C[C@@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,TN
+CN(CCN(c1ccccn1)Cc1cscc1)C,TN
+[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,TP
+O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,TP
+CNc1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C,TP
+O=C1C=CC(=O)C(=C1)C,TN
+NC1CC(C)(C)N(C(C1)(C)C)O,FN
+O=C(c1ccccc1)/C=C/c1ccccc1,TN
+OC(=O)O,TN
+NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,TN
+c1ccc(cc1)[Se][Se]c1ccccc1,NA
+Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,TN
+BrCCOC(=O)C(C(C(=O)OCCBr)O)O,TP
+Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,TP
+Oc1cccc2c1C(=O)c1cccc(c1C2=O)O,TP
+CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,TN
+[N-]=[N+]=NCC(C(=O)O)(N)C,TP
+N=C(NC(=N)N)NCCc1ccccc1,TN
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,TN
+Sc1ccccc1,TN
+Oc1cc(O)cc(c1)O.O.O,TN
+Cc1cc(cc(c1)C)[N+](=O)[O-],TP
+CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,TP
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,TP
+O=C1NC(=O)C(=C(Cl)Cl)C1Cl,TP
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,TN
+CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,TN
+O=C1NS(=O)(=O)c2c1cccc2C,TN
+C[N+]1=CC=C(CC1)c1ccccc1,NA
+Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,TP
+COc1ccc(cc1)N,TP
+OC(=O)c1cccc2c1OC(O2)(F)F,TN
+Cl[C@@H]1CN(C[C@H]1Cl)N=O,TP
+BrCC1=C(Br)C(=O)OC1,TP
+CN1CCC[C@@H]1c1cccnc1,TN
+NCC(C)C,TN
+BrCc1ccccc1CBr,FP
+Nc1nc2c(n1C)ccc1c2ccnc1,TP
+OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,TN
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,TP
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,TP
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,TN
+OCC(C(CO)O)O,TN
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
+NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
+OCc1ccc(cc1)OC(=O)C,TN
+CCCC(=O)Nc1snc2c1ccc(c2)Cl,TN
+OC(=O)/C=C/C=C/C(=O)O,TN
+COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,FP
+O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,TN
+O=Cc1ccc2-c1cocc2COC(=O)C,TP
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,TP
+COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],TP
+CC(C[C@H](O)C)C,TN
+C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,FP
O=NN1CCOCC1,TP
-Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,TP
-Nc1ccc(cc1)Nc1ccccc1,TN
-CCCCCOC(=O)C(=C)C,TN
+N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,TN
+Cn1sc(cc1=O)Cl,NA
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,TP
+OCc1ccc(cc1)NNC(=O)C,FN
+c1ccc2c(-c3ccccc3C3C2O3)c1,TP
+N#CCCC#N,TN
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
+[O-][N+](=O)c1cc(ccc1O)c1ccccc1,FP
OC(=O)c1ccccc1,TN
-[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,TP
-c1cc2Cc3c4c2c(c1)ccc4ccc3,TP
-Fc1ccccc1c1ccccc1,FP
-Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,TN
-CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,TP
-CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,TN
-OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,TN
-Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,TP
-OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,TP
-Oc1ccc(cc1)Cc1ccccc1O,TN
-CC(OC)CCO,TN
-CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,TP
-OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,TN
-CCCCCCCC(=O)Cl,FN
-BrC(C(C)(C)C)C(=O)Nc1ccccc1,FP
-CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,TP
-[O-][N+](=O)c1cnc(s1)NC(=O)NCC,TP
-COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,TP
-Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,TP
-COC(=O)C(=C)C,TN
-Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,TP
-COC(=O)N,FP
-NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,FP
-Fc1cnc2c(c1)c1ncccc1cc2,TP
-O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,FN
-BrCc1c2ccccc2c(c2c1cccc2)C,TP
-Nc1cccc2c1nc1CCCCc1c2,TP
-COC(=O)C=C,TN
-CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,TP
-OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,TP
-Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],TP
-OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,FP
-Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,TN
-CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,TN
-CCCCN(COC(=O)C)N=O,TP
-C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,TP
-ClCCN(P(=O)(OCCC(=O)O)N)CCCl,TP
-Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,FP
-C1COCCS1,NA
-Cc1ccccc1N,TP
-O=C1c2ccccc2-c2c1cccc2,FP
-C1CCCC2C(CC1)O2,TN
-C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,TP
-N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,FP
-CN(CCN(c1ccccn1)Cc1ccccc1)C,TN
-C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,NA
-OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,TN
-CCNc1ccccc1,FP
-Nc1ccccc1SCCSc1ccccc1N,TP
-ONC(=O)c1ccccc1O,TP
-[O-][N+](=O)c1cccc(c1N)O,FP
-Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,FP
-OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,FN
-c1cc2cccc3c2c(c1)CC3,FP
-OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,TP
-CCCCOc1ccc(cc1)N=O,TP
-Nc1cc(Cl)c(cc1S(=O)(=O)O)C,FN
-COC(=O)C1=CCCN(C1)C,FN
-CNC(=O)ON,FN
-OC(=O)C=C,TN
-OC(=O)CC(=O)O,TN
-CCCCC=O,TN
-O=Nc1ccccc1c1ccccc1,TP
-Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,TN
-SCC(C(=O)O)NC(=O)C(SC)(C)C,TN
-C[n+]1ccc(cc1)c1cc[n+](cc1)C,TN
-N#N=NCC(C(C(C(C=O)O)O)O)O,TP
-CCCCCNc1snc2c1cccc2,TN
-CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,TN
-[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,TN
-[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,TN
-COc1ccc(c(c1)C(C)(C)C)O,TN
-ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],TP
-CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,TN
-OCc1cc2ccc3c4c2c(c1)ccc4ccc3,TP
-CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,TP
-C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,TN
-N#Cc1ccccc1C#N,TN
-CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],TN
-CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,TN
-C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,FP
-CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,TP
-CCCCCCOC(=O)C=C,TN
-CN(N=Nc1ccc(cc1)C(=O)O)C,TN
-ClC(c1ccccc1)(Cl)Cl,FN
-CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,TN
-O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,TN
-CCC([N+](=O)[O-])CC,TN
-CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,TP
-N#Cc1ccc(cc1)C,TN
-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],FP
-COc1nsc2c1ccc(c2)OCC1CO1,TP
-Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,NA
-[O-][N+](=O)NC(=N)N(N=O)CCCC,TP
-CCCON=O,TP
-CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,TN
-OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,TP
-O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,TN
-c1ccc2c(c1)ccc1c2c2CCCc2cc1,FN
-NCCC#N,TN
-Clc1cccc2c1c1ccccc1o2,TN
-C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,TP
-CCCCC,TN
-Cc1cccc(c1)O,TN
-CCCC(=O)OCc1ccccc1[N+](=O)[O-],TN
-BrCc1ccccc1,FN
-N#N=NCCC(C(=O)O)N,FN
-ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,TP
-CC(CCOC(=O)/C=C\c1ccccc1)C,TN
-Clc1ccccc1C(F)(F)F,TN
-NNS(=O)(=O)c1ccc(cc1)C,FN
-FC(C(F)(F)F)F,NA
-Cc1ccccc1S(=O)(=O)N,TN
-Sc1ncc(c(n1)O)C,TN
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,TP
-c1cc2ccc3c4c2c(c1)ccc4cnc3,TP
-ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,NA
-c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,TP
-CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,TP
-Cc1ccc(c(c1)C)N,TP
-CN(N=O)C[C@@H](CO)O,TP
-OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,TN
-ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,FN
-C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,FN
-OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,TN
-O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,TP
-Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,TP
-OC(=O)/C=C/c1ccc(cc1)Cl,TN
-CCc1ccc(cc1)[N+](=O)[O-],FP
-NC(=O)CCCCC(=O)N,TN
-[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],TP
-CCCCOC(=O)c1ccccc1C(=O)OCCCC,TN
-OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,TN
-NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,TN
-NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,TP
-O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,TP
-COc1cccc(c1)N,TP
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,TN
+O=C([C@]1(C)OC1)NCc1ccccc1,TP
+CC1=C(C)C(=O)C(=C(C1=O)C)C,TN
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,TP
+CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,TP
+CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,TP
+OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,TP
+CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,TP
+ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,TP
+[O-][N+](=O)c1cc2c(Cl)nsc2cc1,TP
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Nc1ccc2-c3c(Cc2c1)cccc3,TP
+[O-][N+](=O)c1cc2ccccc2cc1C,FP
+OCc1ccc(cc1)NS(=O)(=O)N(C)C,TN
+O=c1[nH]cc(cc1Cl)C(F)(F)F,TN
CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],TP
-O=P1(OCc2c(O1)cccc2)Oc1ccccc1,FN
-Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TN
-O=Nc1ccc(cc1)N(C)C,TP
-CN(N=Nc1ccc(cc1)Br)C,TP
-CC(=C)C(=O)OC(C)(C)C,TN
-CCc1ccccc1,TN
-OCC1OC(C(C1O)O)n1c(O)nc2c1nc(N)nc2O,TN
-Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
-CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,TN
-N#Cc1cc(ccc1N)[N+](=O)[O-],TP
-Nc1c(C)cccc1N,TP
-CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,TN
-Nc1cccc2c1nccc2,TP
-Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,TN
-N#CCCNCCC#N,TN
-O=CC(C)C,NA
-Nc1sc2c(n1)cc(c(c2)Cl)Cl,FP
-COc1ccc(cc1)C=C,FP
-CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,TN
-Clc1ccnc2c1cccc2,TP
-COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,TP
-ClCC1=C(Br)C(=O)OC1,TP
-CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,TN
-COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,TP
-CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,TN
-O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,TP
-O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],FP
-NC(=N)S(=O)O,NA
-[O-][N+](=O)c1ccc2c(c1C)cccc2,TP
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,TP
-CP1(C)NP(C)(C)NP(N1)(C)C,NA
-C=CCOC(=O)COCCC(C)C,TN
-Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,NA
-OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,TP
-Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,TN
+CN(c1cc/c(=N\N)/[nH]n1)C[C@H](O)C,NA
+OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,TN
+C/C(=C\C)/C#N,TN
+COC(=O)c1occ(c1c1ccccc1)c1ccccc1,TN
+NC(=O)Nc1cc(Cl)c(c(c1F)Cl)F,TN
+Fc1cc2ccccc2c2c1cccn2,TP
+CCCCN(C(=O)N)N=O,TP
+ClCc1ccccn1,FN
+O=C1C=CC(=O)O1,FP
+CCCCCCCCCCCCCCCCN,TN
+Nc1ccc(cc1)Cc1ccc(cc1)N.Cl.Cl,TP
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,TP
+COC(=O)C1=C(C)C(OC1=O)(C)O,FP
+Oc1ncnc(n1)O,TN
+CN(C(=O)NC)N=O,TP
+CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,FP
+Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,FP
+O=C1NCCN1c1nccs1,TP
+[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],TP
+NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
+CC(=O)OCc1c2ccccc2cc2c1cccc2,TP
+O=C1C=CC(=N#N)C=C1,FN
+O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,TP
+Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,TN
+CC(=O)NNC(=O)c1ccccn1,TN
+c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
+NCCN1CCNCC1,FP
+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,TN
+Cc1ccc2c(c1)nccc2,TP
+CC(OS(=O)(=O)c1ccc(cc1)C)C,FN
+NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,NA
+CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,TP
+COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],TN
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+COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],TP
+CCCC(=O)Cl,TP
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+CCNc1snc2c1cccc2,TN
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+COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],FP
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+N#CCc1cn(c2c1cccc2)N=O,TP
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+ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,TP
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],TN
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+NCC1(C)CC(N)CC(C1)(C)C,NA
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+OCC1OC(Oc2ccc(cc2)N=Nc2ccc(cc2)N(C)C)C(C(C1O)O)O,FP
+CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,TP
CC(Nc1nc(NC(C)C)nc(n1)Cl)C,TN
-CNC(=O)CSP(=S)(OC)OC,FN
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-COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,TP
-CCOc1ccccc1C(=O)N,TN
-OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,TN
-Clc1ccc(cc1)S(=O)C,TN
-CCCCCCCC/C=C\CCCCCCCCN,FN
-NCCCNCCCN,TN
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-COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,TP
-CCOS(=O)(=O)OCC,TP
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-C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,TN
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-[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],TP
-O=C1C=C(C)C(=O)c2c1cccc2,FN
-CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,TN
-Clc1ccc(c(c1)[N+](=O)[O-])C,TN
-O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,FN
-CCCC(=O)OC1CCCCC1,TN
-CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,NA
-COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
-CCCCCCCCC=O,TN
-OC(=O)C(CCS(=O)(=N)C)N,TN
-CSCNc1ccccc1OC,TP
-O=Cc1cccc(c1)Cl,TN
-CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,TN
+[N-]=[N+]=NC[C@H](C(=O)O)N,TP
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+CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,TN
CCCCCCCCn1sccc1=O,TN
-CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,TN
-OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,TN
-c1ccc2c(c1)cnnc2,TN
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-O=CC(=O)c1ccccc1,FN
-[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,TN
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-N#C/C(=C\c1ccccc1Br)/C(=O)OC,TN
-[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],TP
-[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,FN
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+COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,FN
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+ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,TP
+COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,FP
+OC(COc1cccc2c1C=CC2)CNC(C)C,TN
+P,NA
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+Clc1cccc(n1)C(Cl)(Cl)Cl,FN
+COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,TP
+Brc1c(C)c(Br)c(c(c1Br)Br)Br,TN
OCCc1cn(c2c1cccc2)N=O,TP
-O=NN(Cc1cccc(c1)C)C,TP
-OCC(CO)(C)C,TN
-O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,TN
-N#C/C(=C\c1ccco1)/C(=O)OC,TN
-COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,TN
-OC(=O)c1ccc(cc1)N,TN
-COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,FN
-OC(=O)/C=C/c1ccccc1,TN
-N#Cc1cccc(c1)[N+](=O)[O-],FN
-COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,TN
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,TN
-CCN(c1ccc(cc1)[N+](=O)[O-])CC,TP
-CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,TP
+C/C=C/c1cc(OC)ccc1OC,TN
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
+ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,TP
+O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,FP
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C/C(=C\C)/CCl,NA
-COc1cc(ccc1O)CC1CO1,TP
-OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,TP
-COCCO,TN
-Fc1cc2ccccc2c2c1cccn2,TP
-Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,TP
-N#Cc1ccc(cc1)C1(C)OC1,TP
-OCCNc1ccc(c(c1)O)C,FP
-O1Cc2c(C1)cccc2,FN
-N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)F,FN
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-S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],TP
-CC(C(C)C)C,TN
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-OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,FN
-CNc1ccccc1,FP
-O=C(C(=O)O)C(=O)O,NA
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-CC(=O)Oc1ccc2c(c1)OC1(C2(C)OO1)C,TP
-CCOc1ccc(cc1[N+](=O)[O-])NC(=O)C,TP
-C/C=C/1\C[C@H]2C[C@@H]1C=C2,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,TP
-Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],TP
-ON=C1CCCCC1,FN
-COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,TP
-NC(=N)NNc1ccc(cc1)N=NC(=S)N,NA
-CCc1c2ccc3c(c2cc2c1cccc2)cccc3,FN
-Cc1cnc2c(n1)ccc1c2nc(n1C)N,TP
-BrC(=C)C=O,TP
-[O-][N+](=O)c1ccnc2c1cccc2,FN
-Nc1nc2c(n1C)cc1c(n2)nccc1,FP
-OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,TN
-Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,TP
-CCCCCCCCCCO,TN
-[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],TP
-Cc1cccc(c1)C(=O)Cl,TP
-ClCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,FN
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-COc1c2ccccc2[n+](c2c1cco2)[O-],FP
-COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,TP
-CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,TN
-OCC1OC(OC2C(O)CC3(C(C2(C)C(=O)O)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)C(C(C1O)O)O,TN
-O=C(Nc1ccc(cc1)Cl)CCC(=O)O,TN
-OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,TN
-CCCCOP(=O)(OCCCC)OCCCC,TN
-COC(=O)/C(=C/c1ccc(o1)Br)/C#N,TN
-OCC(C(C(=O)NCCC(=O)O)O)(C)C,TN
-ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],TP
-c1ccc2c(c1)nccn2,TP
-N#CC1=Cc2c3c1cccc3ccc2,TP
-CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,TP
-C=C1CCC2CC1C2(C)C,TN
-NC(=N)NS(=O)(=O)c1ccc(cc1)N,FP
-CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,FP
-CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,TP
-Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,TP
-OCCBr,TP
-OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,FN
-CN(c1ccc(nn1)NN)C[C@H](O)C,NA
-Oc1ccc(cc1)c1ccccc1,TP
-CC(=O)/C=C\C1=C(C)CCCC1(C)C,FP
-COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,TP
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-C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],TN
-COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,NA
-O/N=C/C1N(CCCN(C)C)C=CN1C,TN
-CC12OOC2(C)c2c(O1)ccc1c2cccc1,FP
-CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,FP
-OCCCCl,FN
-OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,TN
-CC(=O)OC[C@@H](CO)O,FN
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-O=Nc1c(O)ccc2c1cccc2,FP
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-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,FP
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-Nc1ncnc2c1cnn2CC(CN=N#N)O,TP
-NC(=O)c1cnccn1,TN
-OC1C2OC2c2c(C1O)ccc1c2cccc1,TP
-C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,TN
-O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,TN
-CSc1cc(SC)c(c(c1N)C)N,TP
-CCN(c1ccccc1)N,FN
-CCOCCOCCOCC,TN
-COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,TN
-CC(OOC(C)(C)C)(C)C,TN
-CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,TN
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,TP
-N/C(=N\OS(=O)(=O)O)/c1ccccc1,FP
-ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,TP
-O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,FP
-Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,FP
-CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,TP
-CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,TP
-CNC(=O)ONC(=O)NC,FN
-O=S1(=O)CCCO1,TP
-Nc1nc2c(n1C)ccc1c2cncc1,TP
-ClC(C1=C(Cl)C(=O)OC1O)Br,TP
-Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-Nc1ccc(cc1)Sc1ccccc1,TP
-CC(=O)N(c1ccc2c(c1)cccc2)O,TP
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,TP
-[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,TP
-CCCCCC(=O)N,TN
-Cc1c(NC)ccc2c1nccn2,TP
+Nc1ccc(c(c1)O)C,TP
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,TP
+C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,TN
+CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,TP
+CSc1nnc(c(=O)n1N)C(C)(C)C,NA
+FC(C(F)(F)F)C(F)(F)F,NA
+c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,TP
+O=NN(c1ncn(c1C(=O)NC)C)C,FP
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,TP
+Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,TP
+O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,TP
O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,TN
-Clc1cnc2c(c1C)cccc2,FP
-O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
-CS(=O)(=O)OCCCCOS(=O)(=O)C,TP
-O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],TP
-CCOC[C@H]1CO1,TP
-c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,TP
-Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,TN
-COP(=O)(OC)OC,FN
-OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,FP
-ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,TP
-ClCc1cccc(c1)CCl,FP
-O=C(Nc1snc2c1cccc2)Nc1ccccc1,TN
-CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,TN
-O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,TN
-C/C=C/c1cc(OC)ccc1OC,TN
-OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,TN
-n1ccc2c(c1)cnnc2,TN
-CC/C=C/C,TN
-Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
-O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,TN
-CC(=O)c1ccc2c(c1)cccc2,FP
-ClCC(=O)c1ccccc1,TN
-[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],TP
-O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,TP
-Nc1cccc2c1c(O)nnc2O,FP
-CCC(=O)Nc1snc2c1cc(C)cc2,FP
-OCC1OC(C(C1O)O)n1cc(O)c(nc1=O)N,TN
-Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,TN
-COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,FP
-O=NN(C(=O)Oc1ccccc1OC(C)C)C,TP
-Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],TP
-CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,TN
-O=NN(c1ccccc1)C,FN
-CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,FP
-CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,FN
-O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,TN
-ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
-c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,TP
-Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,TP
-COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,FP
-C[Si](O[Si](C)(C)C)(C)C,TN
-CCCCCCCCCCCCCCCCCC(=O)N,TN
-OC(=O)C1OC(Nc2nc3c(n2C)ccc2c3nc(C)cn2)C(C(C1O)O)O,FP
-CC[Si](CC)(Cl)Cl,NA
-Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,TN
-[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,FP
-CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,FP
-COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,TP
-CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,FP
-O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,TP
-C1CCCCCC2C(CCCC1)O2,TN
-OCCc1ccc(cc1)N(C)C,TP
-Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,TN
-ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,TP
-CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,TP
-OC(=O)c1cc(O)c2c(n1)c(O)ccc2,FP
-O=C1CCCN1C,TN
-Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],TN
-N#CC(O)(C)C,NA
-CC(C[C@H](N)C)C,TN
-NCCc1c[nH]cn1,TN
-CN(NC(=O)CCC(=O)O)C,TN
-Oc1ccc2c(c1)cccc2O,TP
-Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,TP
-O=CCCN(C(=O)OCC)N=O,TP
-CCOC(C(=O)C(O)O)C,NA
-CC(COC(=O)C=C)O,TN
-OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,FP
-Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,TN
-COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,TP
-O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,TN
-[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],TP
-CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,NA
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,TP
-[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,TP
-CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,FP
-CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,TN
-COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,TN
-COc1cc(ccc1OC)CC1CO1,TP
-Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],TP
-CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,TP
-O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,NA
-Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,TP
-Nc1ccc2c(c1)c1ccccc1cc2,TP
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,TP
-c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,TN
-COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],TP
-CCCOS(=O)(=O)C,TP
+OC[C@H](COP(=O)(O)O)O.[K+].[K+],TN
[O-][N+](=O)c1cccc(c1C)N,TP
-Nc1cnc2c(c1)cccc2,TP
-OC(=O)CCCCC1SCC2C1NC(=O)N2,TN
-O=C(c1ccccc1)OOC(C)(C)C,FN
-CC(=O)C1(CCNCC1)c1ccccc1,TN
-NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,TN
-O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,TN
-CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,FP
-Cn1cnc2c1ccc1c2cccn1,TP
-Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],TP
-C=C,NA
-Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,TP
-OCN1[C@H](O)[C@H](N(C1=O)CO)O,NA
-[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,TP
-OC(=O)c1c(N)cccc1N,TP
-Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,TP
-Cc1ccc(cc1)Br,TN
-CC(CN1CC(OC1=O)C)O,NA
-CCNS(=O)(=O)c1ccccc1C,FN
-Nc1ccc2c(c1N=Nc1ccccc1)cccc2,FP
-Clc1ccc2c(c1)cccn2,TP
-CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,TP
-CCCCOC(=O)C=C,TN
-CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,TN
-Oc1cc(O)c2c(c1)oc(=O)cc2C,TN
-O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,TP
-[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,TP
-O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],TP
-ONc1ccc(cc1)Sc1ccccc1,TP
-O1CCOCCOCCOCC1,TN
-BrCc1c2ccccc2cc2c1cccc2,TP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
-C=CC(=O)NCCCN(C)C,TN
-Nc1cccc2c1c(N)c1c(n2)cccc1,TP
-O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],TP
-Nc1ccc(cc1)[N+](=O)[O-],TP
-COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,TN
-Clc1cccc(c1)Cl,TN
-CCc1c2ccccc2cc2c1c1ccccc1cc2,TN
-CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,FP
-Nc1ccc(cc1O)c1ccc(c(c1)O)N,TP
-CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,TP
-NCCS,NA
-CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,FP
-C[n+]1c2ccccc2nc2c1cccc2,TP
-O=NC([N+](=O)[O-])(C)C,NA
-C1CCCCNC1,TN
-Cc1cccc(c1)Br,TN
-Clc1ccc(c(c1)Cc1ccccc1)O,FP
-COc1ccc(cc1)N,TP
-ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,TP
-[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],TP
-OC(=O)[C@H](O)C,TN
-OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
-CCCCCCCCCCCCCCCCCC1=NCCN1CCO,TN
-Nc1cccc(c1)c1ccccc1,TP
-ONC(=O)c1ccccc1,TP
-NCCN1CCNCC1,FP
-ClCCN(c1ccc(cc1)C)CCCl,FP
-OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,TP
-COC(=O)c1cc2c([nH]1)c1ncccc1cc2,FP
-[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,TP
-Clc1cc(Cl)c(c(c1Cl)Cl)Cl,TN
-Oc1ccc(cc1)C(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],TP
-CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,FP
-O=C1O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,TN
-O=Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,TP
-ClCC[N+](CCCl)(C)[O-],NA
-Cc1ccc2c(c1)nn[nH]2,FP
-ONc1cc(NO)c(c(c1)[N+](=O)[O-])C,TP
-CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,FP
-c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,TP
-COC(=O)C1OC1c1ccccc1,FN
-CN(C1CCCCC1)C,TN
-CC(C(=O)Nc1ccccc1)Br,TP
-OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,TN
-O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,TN
-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,TP
-O=C1C(O)CC(N1C)c1cccnc1,TN
-CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,FP
-[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
-CCCCCCCCC,TN
-CCN(C(=S)SSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC,FP
-CC(=O)Oc1ccc(cc1)C(c1ccccn1)c1ccc(cc1)OC(=O)C,TN
-Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,TN
-CNCCN(c1ccccn1)Cc1ccc(cc1)OC,TN
-CCCO/C=C/C=C/C=C/C=C/C=C/CC,TP
-[O-][N+](=O)c1nccn1C[C@H](COC)O,TP
-CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,TN
-CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,TP
-CC(=C)C(Cl)C,FN
-COc1c(C(=O)O)c(O)nc2c1cccc2,FP
-CC(Cc1ccccc1)N,TN
-O=C1CCC(=O)O1,TN
-[O-][N+](=Nc1ccccc1)c1ccccc1,FN
-COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=CC1=N)O)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
-O=C(/C=C/c1ccc(o1)[N+](=O)[O-])NCC(C)(C)C,TP
-Cc1cccc2c1cccc2,FP
-CCOC(=O)C(CS)N,FN
-C1=C[C@H]2[C@@H](O1)Oc1c2cccc1,TP
-ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,TN
-CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
-NC(=S)N,TN
-Clc1ccc(c(c1)N)N,TP
-COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,FN
-OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,TN
-O=Nc1ccc(cc1)c1ccccc1,TP
-C=CCN(CC=C)CC=C,TN
-ClC(=O)C(Cl)Cl,NA
-COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,TP
-CC(=O)c1ccccn1,FP
-O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],TP
-Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)N)N=Nc1ccc(cc1)S(=O)(=O)N,TP
-CC(C(=O)OC)CN=N#N,FN
-c1ccc2c(c1)ccc1c2cc([C@H]2OC2)c2c1cccc2,TP
-O=NN1CCCCC1,TP
-CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,TN
-ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,TP
-N#N=NCC1OC(O)C(C(C1O)O)O,TP
-FC(OC(C(F)(F)F)Cl)F,NA
-Nc1ccc(cc1)S(=O)(=O)O,TN
-Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,TN
-CCCCCCCCCc1ccc(cc1)O,TN
-O=NN1CCc2c(C1)cc(c(c2)OC)OC,FN
-C/C=C/C(=O)OC1CC2C3(C1(C)C1(C)CC(=O)C(=CC1O2)C)CO3,TN
-CC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],TP
-OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,TN
-COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,TP
-CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,TN
-NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],TP
-OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,FP
-C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,TN
-CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,TP
-C/C(=N/O)/CC,NA
-Nc1nc2c(s1)cccc2,TN
-CCCCOO,FN
-COc1cc(ccc1O)c1nc(c([nH]1)c1ccccc1)c1ccccc1,TP
-Nc1nc(N)c2c(n1)nc(c(n2)c1ccccc1)N,FP
-c1ccc2c(-c3ccccc3C3C2O3)c1,TP
-OC[C@@H]1O[C@@H]1[C@@]12O[C@H]2[C@@]2(C(=CC1=O)CC[C@H]([C@H]2C)O)C,NA
-BrCCOC(=O)C(=O)OCCBr,TP
-Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,TP
-C[n+]1ccc(cc1)c1ccccc1,FP
-Brc1cc(Br)c(c(c1)Br)O,TN
-COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,TN
-[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,FN
-Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,TP
-C1CN2CCN1CC2,TN
-COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O,TN
-Nc1ccc2c(c1)nc(c(n2)C)C,TP
-Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,TN
-O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],TP
-Nc1ccc(c(c1)N)N=Nc1ccccc1,TP
-OC[C@H](O)C,TN
-CCC(COC(=O)c1ccccc1C(=O)O)CCCC(=O)O,TN
-Cl/C=C(/SCC(C(=O)O)NC(=O)C)\Cl,TP
-C=CC(=O)OCC(C)C,TN
-CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],TP
-OC(=O)C(Cl)(Cl)C,NA
-ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,FN
-CN(CCOC(c1ccccc1)c1ccccc1)C,TN
-C1=Cc2c(C1)ccc1c2ccc2c1cccc2,TP
-CC(=O)OCc1c2ccccc2cc2c1cccc2,TP
-COCCOC(=O)C=C,TN
-OCc1ccccc1N=Nc1ccc(cc1)N(C)C,TP
-OCC=C,FP
-Clc1c(O)cc(c(c1Cl)Cl)Cl,TN
-CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl,FP
-Nc1ccc(c(c1C)N)N=Nc1ccccc1,TP
-BrCCCCCBr,TP
-CCN,TN
-OCCCl,TP
-CCCCCCCCCCCCO,TN
-O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,TP
-BrC1=C(Br)C(=O)OC1,TP
-Clc1cc(Cl)c(c(c1)Cl)N,FP
-c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,TP
-CC(CNCC(C)C)C,TN
-COc1ccc2c(-c3nccc4c3c(C2=O)c(O)c(c4)OC)c1,TP
-Nc1n[nH]cn1,FP
-CCOC(=O)CNC(=O)C(Br)C,TP
-NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,TP
-ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
-OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN[C@@H](c2ccccc2)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,TP
-CCCCOC(=O)c1ccccc1N,TN
-CCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,FP
-c1ccc2c(c1)C1=C3OC3=C3C1C(=c1ccccc1=C3)C2,NA
-CCCCCOC(=O)C=C,TN
-CC(OS(=O)(=O)C)C,TP
-Cc1c2ccccc2cc2c1c1ccccc1cc2,TP
-O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,FN
-OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,FP
-Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,TP
-CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C,TN
-COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,TN
-BrCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,TP
-c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,FP
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,TP
-Nc1cnc2c(c1C)nc1n2cccc1C,TP
-O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1)Cl)Oc1ncc(cc1Cl)C(F)(F)F,TN
-CCCCCCCCCCCCOC[C@@H]1OC1,FP
-CN1C2=Nc3c(C2C(c2c1cccc2)C)cccc3,TP
-Cc1cc2ccccc2c2c1c1ccccc1cc2,TP
-Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,FN
-O=C1C=C(C(=O)C(=C1)C1=CC(=O)C=C(C1=O)C(C)(C)C)C(C)(C)C,FN
-OC(=O)Cc1ccccc1Cl,TN
-C=CCCC(C=O)CC,TN
-Nc1cnn(c(=O)c1Cl)c1ccccc1,TN
-Nc1cnn(c(=O)c1Cl)c1ccccc1,FN
-COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,TP
-c1ccc2c(-c3ccccc3C3C2N3)c1,TP
-c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,TP
-C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O,TN
-CC(C(=O)NCc1ccc(cc1)Cl)Br,TP
-NNC(=O)CNc1ccc2c(c1)cccc2,FP
-[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,TP
-O=C(C1(C)OC1)Nc1ccccc1,TP
-Oc1ccnc(n1)O,TN
-COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,NA
-OCC(C(CO)O)NC(=O)C1CC([N+](=O)C1(C)C)(C)C,NA
-N#N=NCC(Cn1cnc2c1ncnc2N)O,TP
-ClCCN(c1ccc(cc1)OCC(=O)O)CCCl,FN
-OC(=O)c1occc(=O)c1O,FP
-[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],TP
-CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,TP
-CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,TN
-C=CC(=O)c1ccc2c(c1)OCO2,TN
-OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,TN
-COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,FP
-O/N=C/c1ccncc1,TN
-C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,NA
-CCCNCCC,TN
-O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,TP
-CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,TP
-ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,TP
-CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,TP
-COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,TN
-Nc1ccc(cc1)c1ccc(cc1)N,TP
-Cc1ccc(o1)C,NA
-CCCCCN(CCCC)N=O,TP
-ONc1cnc2c(c1C)nc1n2cccc1C,TP
-C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,TN
-N1C2C1c1cscc1-c1c2csc1,TP
-Clc1ccc(cc1)CC[C@@H]1OC1,TP
-Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,TN
-CN(c1ccccc1)C,FP
-c1ccc2c(n1)cnnc2,TN
-OCC(=O)CO,NA
-OC(=O)c1ccc(cc1)C(=O)O,TN
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,TP
-CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,TP
-COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,TP
-O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-CCN(c1ccc(cc1)[N+]#N)CC,TP
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,TP
-CCNc1nc(NC(C)C)nc(n1)Cl,TN
-COc1nncc2c1cncc2,TN
-OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,FP
-O=NN(c1cccnc1)C,TN
-CC(Nc1ccc(cc1)Nc1ccccc1)C,TN
-OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,FP
-ON1C(C)(C)CC(C1(C)C)C(=O)N,TN
-[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],TP
-ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,NA
-O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],FN
-c1cc2ccc3c4c2c(c1)cnc4ccc3,TP
-OCc1cc2ccccc2c2c1c1ccccc1cc2,FN
-[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,FN
-c1cc(cc(c1)c1ccccc1)c1ccccc1,FP
-NCCNCC,FP
-Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,TP
-c1ccc2c(n1)c1c(cc2)CCC2C1O2,TP
-CN(CCN(c1ccccc1)Cc1ccccc1)C,TN
-CCCCCCCCCCCCCCCCCCO,TN
-COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,TP
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,TP
-CSCNc1ccccc1C(=O)C,FP
-OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,TN
-Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,TP
-Oc1ccc(cc1N)S(=O)(=O)C,TN
-C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,TN
-COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,FN
-[O-][N+](=O)c1ccccc1C(F)(F)F,TN
-Fc1ccc(c2c1nccc2)F,TP
-CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,TP
-[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
-CN1C=CN(C1/C=N/O)CCOCC#C,TN
-CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,TP
-CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,TP
-Cl[C@@H]1CN(C[C@H]1Cl)N=O,TP
-Nc1cccc2c1cccc2N,TP
-OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,TP
-O=Nc1ccccc1C,TP
-Oc1cccc(c1)/C=N/c1snc2c1cccc2,TP
-Cc1ccc(cc1)c1nc2c(o1)cccc2,TN
-CNc1ccc2c(c1N)cccn2,FP
-ONc1ccc(cc1)[N+](=O)[O-],TP
-CC(=O)Nc1ccc(cc1)N,TP
-Clc1c2ccccc2cc2c1cccc2,TP
-CCCCOC[C@H]1CO1,FN
-CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,TN
-Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,TN
-O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,TN
-CC[C@H](N)C,TN
-CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,TP
-CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,TP
-Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,TN
-CCCCN(CCC)N=O,TP
-O=Nc1nccn1C,TP
-c1cnc2c(c1)C1OC1C=C2,TN
-COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,TP
-CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,TP
-OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,TP
-Nc1ccc2c(c1)oc(=O)cc2C,TN
-CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,TP
-O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,TN
-CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,TP
-NC(=NC(=N)N)NCCc1ccccc1,TN
-Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,TP
-OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,TP
-CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,TN
-Cc1ccc(c2c1n(C)c1c2cccc1)C,TP
-O1C[C@H]1c1ccc(cc1)c1ccccc1,TP
-CC1=C(C)C(=O)C(=C(C1=O)C)C,TN
-Cc1ccc(cc1)C,TN
-O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,TN
-ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
-COc1cc(ccc1O)C(=O)C,TN
-Cc1ccc(c(c1)O)C,TN
-ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,TP
-CCc1cc(cc(c1N)CC)c1ccccc1,FP
-CC1=CC2CCCCC2c2c1cccc2,TP
-OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,FP
-CCCO,TN
-COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,TP
-Nc1cccc(c1)[N+](=O)[O-],TP
-Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TP
-COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,TN
-CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,TP
-OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,TP
-CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,FP
-CCCCCCCCCCCCCC[C@@H]1OC1,TN
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,TP
-[O-][N+](=O)c1cc2c(cc1)ncn2C,TP
-O=NN1CC[C@@H]([C@H](C1)Br)Br,TP
-CCC(=O)Nc1snc2c1cccc2,TN
-CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,FP
-O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,TP
-ClC(Cl)Cl,NA
-COc1ccc(cc1)CNC(=O)C(Br)C,TP
-CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,TN
-Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,TN
-O=NN1CCOC(C1)O,TP
-O=C1CCC(=O)N1c1ccc(cc1)Cl,TN
-Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
-O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,TP
-C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,TP
-ClCc1c2ccccc2c(c2c1cccc2)CCl,TP
-O=NN1C[C@H](C)N([C@@H](C1)C)N=O,TP
-[O-][N+](=O)c1cccc(c1)C(F)(F)F,TN
-OC1COC(C(C1O)O)NCCc1c[nH]c2c1cccc2,FN
-O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,TN
-[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],FP
-COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,FP
-O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,TP
-OC(=O)C(CC(=O)c1cccc(c1N)O)N,TN
-C=O,NA
-O=NN1CC[C@H](C1)O,TP
-Oc1ccccc1c1ccccc1,FP
-Oc1ccccc1c1ccccc1,TP
-CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,FN
-[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,TP
-c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,TP
-O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,TP
-COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
-O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,FN
-CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,FN
-CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,TP
-CCOc1ccc2c(c1)sc(n2)N,TP
-OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,TP
-COc1c(Cl)ccc(c1C(=O)O)Cl,TN
-OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,TN
-O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,TN
-OCc1c2ccccc2cc2c1cccc2,TP
-CS(=O)(=O)O,TN
-CCCCCNCCCCC,TN
-OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,TN
-Nc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
-[O-][Cl](=O)(=O)=O,NA
-CC1=CCC(CC1)C(O)(C)C,TN
-OC1CC(C)(C)N(C(C1)(C)C)O,FN
-COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-O[C@@H](c1ccccc1)[C@H](N)C,TN
-O=CCC(CCC=C(C)C)C,TN
-Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],TP
-Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,FN
-CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,TN
+N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,TN
+C1CCO1,FN
+CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],FP
+OC1c2ccccc2Oc2c1cccc2,FN
+C[n+]1c2ccccc2cc2c1cccc2N,TP
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,TP
+OCCN(c1ccc(cc1)C)CCO,TP
+ClC(=O)c1ccccc1,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,TP
+OC(=O)CCN=N#N,TP
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+OCc1ccnc2c1cccc2,FP
+OCC(=O)Nc1c(CC)cccc1CC,FN
+[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,FP
+Clc1ccc(c(c1)[N+](=O)[O-])N,TP
+NC(=O)Cc1cccc2c1cccc2,FP
+Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,TP
+ON1c2ccccc2C(=O)C1(C)c1ccccc1,TN
+OCC1OC(C(C1O)O)n1cnc2c1ncn1c2ncc1,TN
+O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,FN
+Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,FN
+n1ccc2c(c1)cnnc2,TN
+CCC(=O)OCc1ccccc1[N+](=O)[O-],TN
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,TP
+OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],TN
+CCOCCOCCOCC,TN
+ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,FP
+Cc1ccccc1,TN
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,TN
+CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,TN
+OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,FP
+[O-][N+](=O)c1nc[nH]c1c1ccccc1,FN
+[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,TP
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,TP
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,TP
+Fc1ccc(c2c1ccc1c2nccc1)F,TP
+OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],TP
+OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,TP
+ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,TP
+CC1(CO1)C(=O)N,TP
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,TP
+c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,TP
+CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,TN
+COc1cc2cccnc2c(c1)[N+](=O)[O-],TP
+CCC1OC1c1ccccc1,FP
+Clc1cccc2c1c1ccccc1o2,FP
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+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,FP
+CCOC(=O)C(=C)C,TN
+ClCc1ccc(cc1)[N+](=O)[O-],TP
+CC(=CCC1CCCC1=O)C,TN
+ONc1ccc(cc1C)C,TP
+CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,TN
+O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,TP
+Clc1cccc(c1)[N+](=O)[O-],FP
+c1cnc2c(c1)C1OC1CC2,TN
+OC(=O)COc1ccc2c(c1)cccc2,FP
+Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,TN
+C1CC2CCc3c(C42C(C1)O4)cccc3,TN
+Nc1ccc(c(c1)O)[N+](=O)[O-],TP
+O1CC1Oc1ccccc1,FN
+CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,TP
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,TN
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@]1(Cl)[C@@]1([C@@]2(Cl)[C@@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,TN
+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,TP
+C1CC[C@@H]2[C@@H](C1)CCCC2,TN
+c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,FN
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
+O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,TN
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
+Clc1ccc(cc1)CC1OC1,TP
+CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
+COc1nccc(c1S(=O)(=O)N)C(F)(F)F,TN
+Fc1c(F)c(F)c(c(c1Cl)F)Cl,TN
+C=CCOc1ccccc1OCC(CNC(C)C)O,TN
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,TP
+N#Cc1ccc2c(c1)nc([nH]2)N,TP
+O=NN1CCO[C@H](C1)O,TP
+Cc1ccc(c(c1)O)N,TP
+On1nnc2c1cccc2.O,TN
+O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,FP
+OCc1ccc(cc1)F,TN
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,TP
+CC(Br)C,TP
+CC[C@@H](CN)O,FP
+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,TN
+COc1cc(ccc1O)C[C@H]1CO1,TP
+Clc1cnc2c(c1C)cccc2,FP
+CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,TP
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,TN
+Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,TP
+CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,TN
+CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
+COC(=O)CC(=O)OC,TN
+O=C/C(=C\c1ccccc1)/C,TN
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,FP
+NNC(=O)N,FP
+CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,TN
+CCCCCCCCCCCCCC=C,TN
+Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,TN
+Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,TN
+BrCC(CBr)Br,TP
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,TP
+ClC(C[C@@H]1OC1)(Cl)Cl,TP
+C[C@H](C(=O)N)Br,TP
+O=C1C=CC(=O)C(=C1)Cl,TN
C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,TN
-Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TN
-[O-][N+](=O)c1cccc2c1snc2,TP
-Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,FP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
-COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
-CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,TN
-[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,TP
-CCN(N(N=O)O)CC,NA
-O=Cc1ccc(c(c1)Cl)Cl,TN
-COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],TP
-O=NN1CCN(CC1)C,TP
-CNc1ccc(cc1)N=Nc1ccc(cc1)NC,FP
-Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
-OC(=O)CCCOc1ccc(cc1C)Cl,TN
-OCCOCC,TN
-O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,TN
-[O-][N+](=O)c1ccc2c(c1)nc[nH]2,TP
-O=Cc1ccccc1[N+](=O)[O-],TP
-Oc1ccc(cc1)C(=O)O,TN
-C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,TN
-OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
-Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,TN
-C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,FP
-ClC=C(Cl)Cl,NA
-N#Cc1cccc2c1cccc2[N+](=O)[O-],TP
-O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,FN
-OCC[N+](C)(C)C,TN
-OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCC(COc1cccc2c1cccc2)O,TN
-Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,TP
-O=CC=C(C)C,FP
-O=CC=C(Cl)Cl,TP
-c1ccc(cc1)c1ccc(cc1)CC1CO1,TP
-CCCCCCCCCCCCCCCC[C@H]1CO1,TN
-OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O)O)O)[C@H]([C@@H]([C@H]3O)O)O)\C)/C)/C)/C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O,TN
-CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,TP
-Nc1ccc(c(c1)C(=O)O)O,FP
-c1ccc(cc1)N(c1ccccc1)c1ccccc1,FP
-OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(CCC(C(C)C)O)C)C)/C1,TN
-Oc1cc(Cl)c(cc1Cl)O,TN
-CCC(CO)(CO)CO,TN
+OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,TP
+COc1ccc(cc1N)N,TP
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,TN
+Br/C(=C\c1ccccc1)/[N+](=O)[O-],TP
+C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,TN
+O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,FN
+OCC1OC(C(C1O)O)n1cnc2c1nc(N)nc2NO,FN
+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,TP
+ON1C(C)(C)CC(C1(C)C)C(=O)N,TN
+[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,TN
+CC(CN(CC(C)C)CC(C)C)C,FP
+NC(=O)C=C,TN
+C=CC(=C)CCC=C(C)C,TN
+CC1=NNC(=O)N(C1)N=Cc1cccnc1,TN
+O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,NA
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,TN
+CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,TN
+CC(=O)c1ccc(s1)[N+](=O)[O-],TP
+Clc1ccc2c(n1)cccc2,FP
+BrC(C1=C(Cl)C(=O)OC1O)Br,TP
CC(OC(=O)Cc1ccccc1)C,TN
-CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,TN
-ClC([N+](=O)[O-])Cl,TP
-CCOC(=O)c1ccccc1N,TN
-ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1,TP
-COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,FP
-CC(=O)Nc1ccccc1C,FN
-COc1cc2N(C)C3C4(c2cc1C1(CC2CN(CCc5c1[nH]c1c5cccc1)CC(C2)(O)CC)C(=O)OC)CCN1C4C(C(C3(O)C(=O)OC)OC(=O)C)(CC)C=CC1,TN
-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,TP
-O=c1[nH]c(=O)n(cc1F)C1CCCO1,TN
-N1CC1,FN
-CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,TN
-Cc1cnc2c(n1)c1ncn(c1cc2)C,FP
-OC1C=Cc2c(C1O)c(Cl)c1c(c2)c2ccccc2cc1,FP
-c1ccc2c(c1)oc1c2cccc1,FP
-ClC(=O)c1ccc(cc1)C,TP
-C1CCCN1,TN
-CC(=O)Nc1ccc(cc1)c1ccccc1,TP
-CC1(OC1)c1ccccc1,TP
-N#N=Nc1nc2c(n1C)ccc1c2cccc1,TP
-NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,TN
-O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,TN
-COc1nsc2c1cccc2N,TP
-CC(=O)OCN=[N+](C)[O-],TN
-OC(COc1cccc2c1cccc2)CNC(=O)C,FP
-Nc1cc2cccc3c2c2c1cccc2cc3,TP
-CCCCCON=O,TP
-CCCCOC(=O)CCC,TN
-COc1ccc(cc1C(C)(C)C)O,TN
-[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],TP
-OCC(CBr)(Br)C,TN
-C[N+](CC1OC1)(C)C,TP
-O=C(Nc1ccc(cc1)Cl)OCC12OOC2(C)c2c(O1)cccc2,TP
-CN1CCOCC1,TN
-Cc1cc(ccc1C)N=Nc1c(O)ccc2c1cccc2,FP
-O=c1ccc2c(o1)c1CCCN3c1c(c2)CCC3,TP
-O=C1C=CC(=O)N1,NA
-ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
-N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,FN
-Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,TP
-ClCC(=O)CCl,FN
-Cc1ccc(cc1)C(=O)c1cc(O)c(c(c1)[N+](=O)[O-])O,FP
-CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,TP
-[O-][N+](=O)c1cc2cccc(c2c2c1cccc2)[N+](=O)[O-],TP
-C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\CCC=C(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C,TN
-Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,TN
-Oc1cc(O)cc(c1)O,TN
-Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,TN
-C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,FN
-Clc1cncc(c1)Cl,TN
-CC(C(=O)N(Cc1ccccc1)C)Br,FP
-COP(=O)(OC)C,TN
-CC(=O)C,TN
-OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,TN
-OCCS,NA
-[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-CC(=O)N(c1ccccc1C)O,FN
-OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,FN
-N[C@@H](C(=O)OC(C)(C)C)CN=[N+]=[N-],TP
-COc1cc(N)ccc1C,TP
-n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,TP
-CCC(=O)OCc1ccccc1[N+](=O)[O-],TN
-Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,TN
-Nc1ccc2c(c1)c(Cl)ns2,TP
-OC(COc1nsnc1N1CCOCC1)CNC(C)(C)C,TN
-O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,TP
-OCC12OOC2(CO)Oc2c1cccc2,FP
-CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
-O=C1c2ccccc2C(=O)c2c1cccc2,TP
-OC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)N(c1ccc(cc1)c1ccccc1)O,FN
-COc1c2ccccc2nc2c1cco2,TP
-OC(COc1ccccc1C1=CCCC1)CNC(C)(C)C,TN
-C/C=C/CC#N,TN
-OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,FP
-CCBr,NA
-Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,FP
-C[C@H](CBr)O,FN
-OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1cccc(c1)[N+](=O)[O-],TP
-COc1nc2c(CBr)cccc2nc1OC,TP
-CCCN(CCCCO)N=O,TP
-Cc1ccc(cc1)[N+]#N,TP
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],TP
+OC1C(O)C(Oc2ccc3c(c2)c2ccc4c5c2c(c3)ccc5ccc4)OC(C1O)C(=O)O,TN
+OC(=O)CC[C@@H](C(=O)O)N.[Na+],TN
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,FN
+CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,FP
+CC(=O)n1ncc(c(c1=O)Cl)Cl,TN
+[O-][N+](=O)c1ccc(s1)NC(=O)NCCCl,TP
+COc1nc(NC(=O)N)nc(c1)OC,TN
+COC1=CC(=O)C=CC1=O,TN
+O=C1N(SC2CCCCC2)C(=O)c2c1cccc2,TN
+Oc1ccc2c(c1)cc[nH]2,TN
+O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,TP
+NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,TP
+Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,TP
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,TN
+Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,TP
+Fc1cnc2c(c1)c(F)ccc2,FP
+C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,TP
+Nc1ccc(cc1)/C=C/c1ccccc1,TP
+Clc1cc2ccccc2c2c1cccc2,TP
+N#[N+]c1ccc(cc1)[N+](=O)[O-],TP
+CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,TN
OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,TN
-ClCc1ccccc1[N+](=O)[O-],FN
-COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,TP
-ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,TN
-CN=C=O,NA
-OC(=O)CI,NA
-Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TP
-CCCC,TN
-CNc1ccc2c(c1C)ncc(n2)C,TP
-C1CC23C(C1)(O3)C=CC=C2,NA
-[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
-OC1CCC2(C(C1)CCC1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)C,FN
-Brc1ccc(cc1)c1ccccc1,TN
-[O-][N+](=O)c1ccc2c(c1)snc2Cl,TP
-CN[C@H](Cc1ccccc1)C,TN
-Cc1ccc(cc1)[N+](=O)[O-],FP
-CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,TN
-COc1cc(N)c(cc1N)[N+](=O)[O-],TP
-Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,TP
-CC(C#N)O,NA
-C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,TP
-OC1C(O)c2cccc3c2c2c1cccc2cc3,FP
-NC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/c1ccco1,TP
-BrCCOC(=O)C(C(C(=O)OCCBr)O)O,TP
-OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O,TN
-c1cnc2c(c1)c1c(cc2)CCC2C1O2,FN
-BrC(=C)C(=O)C,TP
-S(Cc1ccccc1)Cc1ccccc1,TN
-Fc1cnc2c(c1)cc(c1c2cccc1)F,FP
-O=C/C=C/C(O)C,TP
-Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,FP
-Oc1cccc2c1c1ccc3c(c1cc2)cccc3,TP
-ClCCN([P@]1(=O)NCCCO1)CCCl,TP
-CC/C=C/C=C/C=C/C=C/C=O,FP
-COc1ccccc1N,TP
-C[C@H]1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-],TP
-Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,TP
-CCC1(C)CO1,TN
-CCC(=C)C=O,TP
-Oc1ccc(cc1)/C=N/c1snc2c1cc(Cl)cc2Cl,TP
-O=C(c1ccccc1N)OC/C=C/c1ccccc1,TN
+OC(=O)C/C(=C/C(=O)O)/C(=O)O,TN
+COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,TN
+CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,TN
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,TP
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],TN
+Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
+OCC(CO)O,TN
+CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,TN
+CC[C@H](OS(=O)(=O)C)C,TP
+Clc1nncc2c1cccn2,FP
+Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,FP
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,TP
+O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,TN
+OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],TP
+OC(=O)c1ccccc1N,FP
+O=C/C=C/c1ccc(o1)[N+](=O)[O-],TP
+CCCCCCC=C,TN
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,FP
+OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,TP
+CCC(=O)N(c1ccc(cc1)c1ccccc1)O,TP
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,TP
+CCCCCCCCCCCCCCCCCC1=NCCN1CCO,TN
+O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,TP
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,TN
+ClCCN(P(=O)(OCCC(=O)O)N)CCCl,TP
+CCCCCCCC1CCC(=O)O1,TN
+Nc1ccc(cc1)/N=N/c1ccc(cc1)N,TP
+CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,TP
+CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
+NCCCN(CC)CC,TN
+COC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
+ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,TN
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,TP
+Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,NA
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,TP
Cc1ccc2c(n1)cccc2,TP
-ClC(Br)Br,NA
-Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],TP
-CC1(OC1)c1ccc(cc1)Br,FP
-Oc1cc(C)c2c3c1C(=O)c1c(O)cc(c4c1c3c1c3c2c(C)cc(c3C(=O)c2c1c4c(O)cc2O)O)O,FP
-CC(NC(C)C)C,TN
-NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,NA
-C/C(=C/C)/C#N,TN
-Cc1ccc(cc1)Cc1ccccc1,TN
-O=NN(Cc1cccc(c1)Br)C,TP
-CC(=O)N(c1ccc(cc1)Sc1ccccc1)OC(=O)C,TP
-CCC[C@H]([C@H](CO)CC)O,TN
-CNC(=O)N(c1ccccc1)c1ccccc1,TN
-C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,FN
-Clc1ccccc1,TN
-COc1ccc(cc1[N+](=O)[O-])C(=O)Nc1ccccc1,TP
-[O-][N+](=O)c1c(C)cccc1C,FP
-ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,TP
-Nc1ccc(cc1C)NOS(=O)(=O)O,TP
-OCC1OC(C(C1O)O)n1ccc(nc1=O)N,TN
-CC(COS(=O)(=O)c1ccc(cc1)C)C,FP
-CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,TP
-Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,TP
-BrCc1ccccc1CBr,FP
-COC(=O)c1ccccc1O,FN
-BrCCCCBr,TP
-c1ccc(cc1)Cn1cncc1,TP
-CCC12OC2O1,NA
-OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,NA
-OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O,TN
-[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,TP
-CC1CCc2c(C1)occ2C,NA
-CN(C1Cc2cccc3c2c(C1)ccc3)C,TP
-COCCOCCOP1(OCCOCCOC)NP(OCCOCCOC)(OCCOCCOC)NP(N1)(OCCOCCOC)OCCOCCOC,TN
-O=Nc1c(CC)cccc1CC,TP
-O=C(c1ccccc1O)Oc1ccccc1,TN
-COc1ccc2c(c1)C1CCCCC1C1C2O1,TN
-O=C/C=C/C=C/C=C/C=C/[C@@H](CC)O,TP
-Nc1ccc2c(c1)cc1c(n2)cccc1,TP
-[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,NA
-Fc1cccc2c1nccc2,TP
-OC1CC=Cc2c1nccc2,TN
-Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],TP
-O=C(Cn1c(=O)sc2c1cccc2)OCc1ccccc1,FP
-ON(c1ccccc1)C(=O)C,FP
-Clc1c(Cl)c(Cl)c(c2c1cccc2)Cl,FP
-COc1ccc2c(c1)nc(n2C)N,FN
-CCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,TP
+CNC[C@H](c1cccc(c1)O)O,TN
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,TP
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,TP
+C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,NA
+Nc1ccccc1c1ccccc1.Cl,TP
+COC(CCOC(=O)C)C,TN
+CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,TN
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,TN
+Nc1nc(nc(n1)O)NC(C)(C)C,TN
+CCC1(C)CO1,TN
+O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,TP
+OOCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,FN
+Clc1cncc(c1)Cl,TN
+c1cc2ccc3c4c2c(c1)ccc4ccc3,TP
+Cc1ccccc1Br,TN
+Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,FP
+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,TN
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,TP
+COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,TN
+O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,FN
+COCCO,TN
+CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,TP
+C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,TN
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,TP
+Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,TP
+CO[P@](=O)(NC(=O)C)SC,NA
+Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,TP
c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-O=C1c2ccccc2-c2c1ccc1c2cccc1,FN
-CCCCCCCCCCC,TN
-OCC1OC(CC1O)n1cc(I)c(nc1=O)N,TN
-COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,TN
-OCC1CC(C(O1)n1cnc2c1ncnc2N)O,FN
-O=CC1=C(CC(C2=CCC(C2)(C)C)C)C(OC1)O,NA
-OC[C@@H](CCl)Cl,TP
-CCOC(=O)OC(=O)OCC,TN
-NC(=N)c1ccc(cc1)c1cc2c(s1)cc(cc2)C(=N)N,TN
-N#N=NC(c1ccccc1)c1ccccc1,TP
-Cc1cncc(n1)C,FN
-CCCCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCCCC,TP
-FC[C@H]1CO1,TP
-OC(=O)c1ccccc1c1c2cc(Br)c(c(c2oc2-c1cc(Br)c(=O)c2Br)Br)O,FN
-CC1NCCN(C1)c1cc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,TP
-Fc1cccc2c1ccc1c2cccn1,TP
-CCCc1cc(O)nc(n1)S,TN
-[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,TP
-Cc1ccc(c(c1O)C)C,TN
-COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,TP
-ClCC1=C(Cl)C(=O)OC1,TP
-Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O,TN
-NC(=O)c1cccnc1,TN
-O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,TP
-CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,TN
-CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,TN
-CCCCCCCCBr,FP
-CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,FN
-CCOO,FN
-Cc1ccc2c(c1)cccc2C,FP
-O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,FN
-CC(C(C)(C)C)OP(=O)(F)C,TN
-CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,TN
-O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,TP
-[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,TP
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,TP
-FC(C(F)(F)F)(Cl)F,NA
-Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,TP
-O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,TN
-ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,TP
-C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,TP
-[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,TP
-COc1c2oc(=O)ccc2cc2c1occ2,FN
-SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
-Clc1ccc(c(c1Cl)O)Cl,TN
-OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,FP
-O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,TP
-Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,TN
-c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,FN
-CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,TN
-CCP(=O)(OCC)OCC,NA
-CC(c1ccc(cc1)O)(CC(C)(C)C)C,TN
-Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,TN
-Cc1cc(N)c(cc1C)C,TP
-Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,TP
-CCCCCCCC[C@H]1CO1,TN
-O=S1(=O)CCCC1,NA
-CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,TP
-CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
-CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,TP
-C1CCC2C(C1)c1ccccc1C1C2O1,TN
-COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,TP
-Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,TP
-Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,FP
-CN=NO,TP
-[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],TP
-Nc1ccc(cc1)Cc1ccc(cc1)N,TP
-NCCCCCCN,TN
-O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,FN
-NC(=S)NCC=C,TN
-Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,TP
-CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,TN
-CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
-CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,TN
-OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,TP
-O=Nc1c(C)n(n(c1=O)c1ccccc1)C,FN
-O=C(C1=C(C)OCCS1)Nc1ccccc1,TN
-Nc1cccc(c1C)N,TP
-[N-]=[N+]=NCC(C(=O)O)(N)C,TP
-Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,TP
-COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,TP
-O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,TN
-OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,TP
-[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,TP
-O=NN(COC(=O)C)C,TP
-COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],TP
-OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,TN
-O=C(c1cccc2c1nccc2)OCc1ccccc1,TN
-CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,TP
-C1=C[C@@H]2[C@H](C=C1)O2,TP
-OC(=O)C(CC(=O)c1ccccc1N)N,TN
-Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,TN
-c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,TP
-Nc1ccc2c(c1)cccc2,TP
-ONc1ccc2c(c1)cccc2,TP
-BrC(C1=C(Cl)C(=O)OC1)Br,TP
-COC(=O)c1ccc(cc1)O,TN
-Cc1ccc(cc1)N(C(=O)C)O,TN
-CCCCNCCCC,TN
-OCCN(C(=O)OCC)N=O,TP
-CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,TN
-Oc1ccc2c(c1)cccc2,FP
-Brc1c(Br)c(Br)c(c(c1Br)Br)Br,TN
-CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,FP
-OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,TN
-CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,TN
-Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,TN
-Oc1ccc2c(c1)nccc2,TN
-OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,TN
-CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,TP
-O=c1c2cccc3c2c2c(c1=O)cccc2cc3,FP
-O=NN(CC(=O)C)C,TP
-Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,TN
-[N-]=[N+]=NCCc1ccccc1,TP
-Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],TP
-CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,TP
-Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,TN
-OCCOc1cc(Cl)c(cc1Cl)Cl,TN
-O1CC1,FN
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)C,TP
+OCc1ccc(cc1)C(F)(F)F,TN
+CSCCC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,TN
+O=C1CCCCCCCCCCCC(=O)OCCO1,TN
+COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],TP
+CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,TN
+O/N=C(/c1cc(O)c(c(c1)O)O)\N,TP
+Cl/C=C(/C(Cl)Cl)\Cl,TP
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+CCCOO,FN
+CCOC(=O)C(=C)C#N,TN
+CCOc1ccc(cc1N)NC(=O)C,TP
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,FP
+[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,TP
+CCOC(=O)CC(O)C,TN
+COc1c2cc(OC)ccc2nc2c1cco2,TP
+OS(=O)(=O)O.OC[P+](CO)(CO)CO,FP
+Nc1ccccc1S,TP
+O=NN(C(=O)N)C[Si](C)(C)C,TP
+Nc1ccc(cc1O)c1ccc(c(c1)O)N,TP
+ClCCC(CBr)Br,FP
+OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,TP
+CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,TP
+CCCCN(CCCC)CCCC,TN
+NC(C(=O)O)CS/C=C/Cl,FN
+Oc1ccc(c(c1)C)O[P@](=O)(Oc1c(C)cccc1O)Oc1cc(O)ccc1C,TN
+C[C@@H]1C[C@H]2OC(=O)[C@@]3([C@H]2[C@H]([C@@]2([C@H]1C=CC2=O)C)O[C@]3(C)O)C,TN
+COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,TN
+Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,TP
+[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,TP
+OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,FN
+O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,TP
+Nc1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N,TP
+O=C(OC(C)(C)C)CN=N#N,TP
+[O-][N+](=O)C,FP
+O=CNc1ccc2-c3c(Cc2c1)cccc3,TP
+OC(=O)c1ccc(cc1)Cl,TN
O=NN(Cc1ccc(cc1)Cl)C,TP
-COP(=S)(OC)OC,TN
-CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,TN
-O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,TP
-O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,FP
-Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],TP
-COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-CC(c1cccc(c1O)C(C)(C)C)(C)C,TN
-COc1ccc(ccc1=O)[N+](=O)[O-],TP
-C[C@@H]1O[C@H]1c1ccccc1,FP
-c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,TN
-CC(Cc1ccc(cc1)C(=O)C)C,TN
-CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,TN
-Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,TP
-Nc1ccc2-c3c(Cc2c1)cc(cc3)N,TP
-CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,FP
-CCC(=O)N(c1ccc(cc1)c1ccccc1)O,TP
-COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
-Nc1cnc2c(c1)c1ccccc1cc2,TP
-CNc1ccc(cc1)O,FN
-C/C=C\C=C/C=O,TP
-O=C1C=Cc2c(C1=O)cccc2,FN
-OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,TP
-CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,TN
-S=c1scc(s1)c1ccccc1,NA
-c1ccccc1,TN
-CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,TN
-Clc1cc(O)c(c(c1)Cl)Cl,TN
+COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,FP
+CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,TP
+N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,TP
+COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,TN
+CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,TN
+O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,TN
+Cc1cc(C)cc(c1)N,FN
+BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,NA
+FC(C(F)(F)F)F,NA
O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,NA
-CSc1ccc(cc1C)OP(=S)(OC)OC,FP
-C=CCOC(=O)c1ccccc1N,TN
-COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O,TN
-C=C[C@H]1CCC=CC1,TN
-C1CCC2C(C1)c1ccccc1C=C2,TP
-Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,TP
-NC(=O)CN1C[C@@H](CC1=O)O,NA
-OC(=O)CCCC(=O)O,TN
-C=CCc1ccc(c(c1)OC)O,TN
-Clc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
-CC(C=O)CC,TN
-CCOP(=S)(SCSC(C)(C)C)OCC,TN
-Cc1ccc(cc1C)S(=O)(=O)O,TN
-CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,FN
-C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,TN
-Oc1ccccc1O,FP
-Cl/C=C/CSCC(C(=O)O)N,FP
-CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,TP
-Brc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
-Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,FP
-O1CC1COc1ccc(cc1)Cc1ccccc1,TP
-O=NN1CCC=CC1,TP
-O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,TP
-O=N#Cc1cc(C)cc(c1)C#N=O,FN
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,TP
-ClCc1c2ccccc2c(c2c1cccc2)Cl,TP
-O=NN(C(=O)N)CCC[C@H](C(=O)O)N,TP
-O=CN(c1cccc(c1)Cl)O,TN
-C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,TN
-CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,FN
-CCCCN(CC(c1ccc(cc1)O)O)N=O,FP
-CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,TP
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,TP
-CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,TN
-COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,TP
-Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,TP
-CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,TP
-CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,TN
-Nc1c2CCCCc2nc2c1cccc2,TP
-C[n+]1cccc(c1)C(=O)O,TN
-[O-][N+](=O)c1ccccc1c1ccccc1,FP
-C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,TN
-OCC1OC(CC1O)n1c(O)nc2c1nc(N)nc2O,TN
-N#Cc1cccc2c1nccc2,TP
-O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-ClC(C(=O)C(Cl)(Cl)Cl)Cl,TP
-O=NN(C(=O)N)CCC(=O)O,TP
-OCc1ccc(cc1)OC,TN
-Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,TP
-Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,TN
-Sc1ccc(cc1)[N+](=O)[O-],TP
-N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,TP
-COc1ccc(cc1N)[N+](=O)[O-],TP
-O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,TN
-BrC(=C)C(=O)O,FP
-CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,TP
-Nc1cc(N)c(cc1N=Nc1cccnc1)C,TP
-CCCCOP(=O)(Oc1ccccc1)OCCCC,TN
-OCCC(C)C,TN
-Nc1ccc(cc1)N=Nc1ccccc1,TP
-OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,TP
-Nc1nc(N)c2c(n1)nc[nH]2,TN
-N#Cc1ccccc1[N+](=O)[O-],FP
-OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,TN
-OC(=O)/C=C/c1ccccc1[N+](=O)[O-],FP
+CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,FP
+COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
+CC/C=C/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,TP
+OC(=O)Cc1ccc(cc1)NC(=O)C,TN
+CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,FN
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],TP
+Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,FP
+Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,TN
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2[N+](=O)[O-])cccc1,TP
+CN(c1ccc(cc1)N=Nc1ccccc1C(=O)O)C,TP
+Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,TP
+[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,TP
+CCOC(=O)CNC(=O)C=[N+]=[N-],FN
+CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,TN
+CNC[C@H](c1ccc(c(c1)O)O)O.Cl,TN
+Cc1ccc2c(c1)cccc2C,FP
+C/C=C/C(=O)O[C@H]1C[C@H]2[C@]3([C@]1(C)[C@@]1(C)CC(=O)C(=C[C@@H]1O2)C)CO3,TN
+CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,TN
+CC(O)(C)C,NA
+COc1cc(ccc1N)c1ccc(c(c1)OC)N,TP
+OC(=O)Cc1cccc2c1cccc2,FP
+[O-][N+](=O)c1ccc2c(c1)cn[nH]2,TP
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,TN
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,TP
+O[C@H]1C=Cc2c([C@@H]1O)ccc1c2c(cc2c1CCC2=O)C(F)(F)F,TP
+CCOC(=O)OCC,TN
+C=CCNCC=C,TN
+O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,TP
+NC(=N)NC(=O)c1nc(Cl)c(nc1N)N,NA
+Clc1ccc(cn1)Cl,TN
+Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2)O,TN
+OCC(COP(=O)(O)O)O,TN
+ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,TP
+CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,TN
+C=CCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,TP
+OOC(C)(C)C,FN
+C[N+](CC1OC1)(C)C,TP
+OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],TP
+[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],TN
+COC(=O)CCl,TN
+Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,TN
+Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,TP
+CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,TN
+CCOc1ccccc1[N+](=O)[O-],FN
+CC(=O)Nc1ccc(cc1)Oc1ccccc1,TP
+COC(=O)C=C,TN
Nc1ccc(c2c1cccc2)S(=O)(=O)O,TN
-CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,TN
-CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,TN
-CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,TP
-C/C=C(/C=O)\Cl,TP
-OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,TN
-OC(=O)CCC(=O)CC(=O)C,TN
-ClC(C1=C(Cl)C(=O)OC1)Cl,TP
-O=C(C(=C)C)OCCCCOC(=O)C(=C)C,TN
-CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,TN
-CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,TP
-NCCNCCN,FP
-COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,TN
-N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,TP
-c1ccc2c(c1)[nH]nn2,FN
-CC(=O)/C=C\c1ccc2c(c1)OCO2,TN
-O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,TP
-Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,TP
-Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,TN
-O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,TP
-COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,TP
-C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,TN
-OCCc1ccccc1,FP
-CCC=O,TN
-O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,FN
-OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,TP
-ClCC[N+](C)(C)C,TN
-COC(=O)c1ccccc1NC,TN
-CCOc1cccc(c1)[N+](=O)[O-],FP
-FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,TP
-CC(COC(=O)C(=C)C)O,TN
-ONc1ccc2c(n1)n1cccc(c1n2)C,TP
-COc1cc(C=O)c(cc1OC)OC,TN
-COc1nsc2c1cccc2OCC1CO1,TP
-Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,TN
-OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,TP
-Cc1cscc1,NA
-CN(C#N)C,NA
-CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,TN
-COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,TP
-CCOC1=CC(=O)C(=CC1=O)NC(=O)C,FN
-BrC(C(Br)(Br)Br)Br,NA
-CNC(=O)Nc1ccccc1,TN
-Cc1cc(C)c(c(c1N)C)N,TP
-CCNc1nc(NC(C)C)nc(n1)O,TN
-C[C@H](CCl)O,FN
-Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
-[O-][N+](=O)CCO,FN
-COc1ccc(c(c1)O)C(=O)c1ccccc1,FP
-OC(=O)c1ccccc1C(=O)O,TN
-CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,TP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,TP
-Nc1sc2c(-c3cccnc3CC2(C)C)n1,TP
-CCCC[C@H](COC(=O)C=C)CC,TN
-Oc1ccccc1/C=N/c1snc2c1cccc2,FP
-CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,TP
-Oc1cccc(c1)Nc1ccccc1,FP
-CCN(C(=S)SCC(=C)Cl)CC,FN
-Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,TN
+CNS(=O)(=O)c1ccc(cc1)NC(=O)C,TN
+CC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,TN
+C=C[C@H](c1ccc2c(c1)OCO2)O,TN
+O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,TN
+CN[C@H]1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,TN
+COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,FP
+O=C(c1cccc2c1nccc2)OCc1ccccc1,TN
+Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,TN
+CC(=O)c1ccc([nH]1)[N+](=O)[O-],TP
+Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,TN
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,TP
+O=C=Nc1ccc(c(c1)N=C=O)C,TP
+C/C=C/c1cc(OC)c(cc1OC)OC,TP
+OC(=O)Cc1ccccc1Cl,TN
+COC(=O)c1ccccc1O,FN
+CCCCC/C(=C\c1ccccc1)/C=O,TN
+NC(=O)c1ccccc1,TN
+COc1ccc(cc1)CNC(=O)C(Br)C,TP
+O=C1NS(=O)(=O)c2c1cccc2,TN
+C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,TN
+COP(=O)(O)O,TN
+Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,FP
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,TP
+CCCN=NC(OO)(C)C,TP
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,TP
+O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,TN
+OCCC#N,TN
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,TP
+CNC(=O)O/N=C\C(SC)(C)C,TN
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,TP
+OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,TP
+Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],TP
+[O-][N+](=O)c1cccc(c1N)N,TP
+OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,TN
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CCN(C#N)N=O,NA
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-[O-][N+](=O)c1cnc(s1)N,TP
-[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,TP
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-[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
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-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],TP
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-[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],TP
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-[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
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-[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],FN
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-[O-][N+](=O)c1cccc2c1n[nH]c2,TP
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-[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,TP
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ICC[C@@H]1OC[C@H](O1)CO,TP
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,TP
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-CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,TN
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-C=CCN1C2C1c1ccccc1-c1c2cccc1,TP
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-[O-][N+](=O)c1ccc(c(c1)N)N,TP
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-Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,TP
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-N#CC(N=NC(C#N)(C)C)(C)C,NA
-C=CC(=O)NCCC[N+](C)(C)C,TN
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-CCCCOCC=O,TN
-CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,TN
-CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,TN
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c1ccc(cc1)Cc1ccccc1OCC1CO1,TP
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CC[n+]1c2ccccc2nc2c1cccc2,TP
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-[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,TP
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-[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,FP
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-[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],TP
-C[Si](N[Si](C)(C)C)(C)C,NA
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-[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],TP
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-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,TP
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-OCCCNP(=O)(N(CCCl)CCCl)O,TP
-OCC(Cl)(Cl)Cl,NA
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-O=CNc1ccccc1,FP
-CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,TP
-CC(C1=CC(=O)C(=CC1=O)C)C,TN
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+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,TN
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+Clc1ccccc1Cl,TN
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+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],TN
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OC1OC(=O)C(=C1Cl)Cl,TP
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-C=Cc1ccc(cc1)[N+](=O)[O-],TP
-COC(=O)c1occ(c1c1ccccc1)c1ccccc1,FP
-CN=[N+](C)[O-],FN
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-CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,TP
-O1C2C1c1cscc1-c1c2csc1,TP
-CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,TN
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-SCc1ccccc1,TN
-Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],TP
-Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,FN
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-Br/C=C/c1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,TN
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-OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,TN
-COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,FN
-C=CC(=O)OC(C)(C)C,TN
-Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,FP
-CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,FN
-BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,TP
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-COP(=O)OC,NA
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-[O-][N+](=O)c1n(C)cnc1c1ccccc1,TP
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-BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],TP
-CCN(c1ccc2c(c1)oc(=O)cc2C)CC,TN
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-CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,NA
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-[O-][N+](=O)NC(=N)N(N=O)CCC,TP
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CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,TP
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-[O-][n+]1ccc(cc1)[N+](=O)[O-],TP
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-[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,TP
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-[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,TP
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-[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,TP
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-[O-][N+]1(C)CCC(=CC1)c1ccccc1,TN
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-COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,NA
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-CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,TN
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-[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,FN
-[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,TN
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-O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,TP
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O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,FN
-OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,TN
+CN(c1ccc(cc1)N)C,TP
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+OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,TN
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+CN(CCCN1c2ccccc2CCc2c1cccc2)C,TN
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O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,TP
-Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
-Fc1cnc2c(c1)cccc2,TN
-[O-][N+](=O)c1c(C)cccc1C(=O)O,TP
-O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,FN
-CCOP(=S)(OP(=S)(OCC)OCC)OCC,FN
-O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,TN
-O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,FP
-CC(CN(CC(C)C)CC(C)C)C,TN
-[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,TP
-BrCc1ccc(cc1)Br,TN
-O=Cc1c(Cl)cccc1Cl,TN
-CNc1nc2c(n1C)ccc1c2cccn1,TP
-ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,FP
-NCCN,FN
-Nc1sc2c(n1)C1CCCNC1CC2,NA
-O[C@@H]([C@@H](C(=O)O)O)C(=O)O,TN
-OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,FN
-c1scc(n1)c1nc2c([nH]1)cccc2,TP
-c1scc(n1)c1nc2c([nH]1)cccc2,FP
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+Cc1cnc(c(n1)C)C,TN
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+O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,TP
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+COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,TN
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+C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,TP
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+OCCOc1cc(Cl)c(cc1Cl)Cl,TN
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+C[Si](O[Si](C)(C)C)(C)C,TN
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CCCCOc1ccc(cc1)CC(=O)NO,FN
-[O-][N+](=O)c1nc2c([nH]1)cccc2,TP
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-[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],TP
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-[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,TP
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-CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,TN
-[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,TP
-O=C1COC(=C1O)C,FN
-[O-][N+](=O)[C@@H](CC)Cl,FN
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-[O-][N+](=O)c1ccc(o1)CNCCO,TP
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-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,FN
-Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,TN
-COc1cc(CCC(=O)C)ccc1O,TN
-CN[C@@H]([C@H](c1ccccc1)O)C,TN
-NCCc1ccc(c(c1)O)O,FN
-CCCC/C=C/C=O,FN
-COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,TP
-CC1=CC(O)C2CC1C2(C)C,TN
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-CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,TP
-O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],TP
-C=CC(=O)N1CCN(CC1)c1ccccc1,TN
-CC(=O)c1ccc(s1)[N+](=O)[O-],TP
-n1ccncc1,TN
-CC1c2ccccc2-c2c1cccc2,TP
-CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,TN
-COC=C,NA
-OC1C(OC(C(C1O)O)COC1OCC(C(C1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,FP
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-BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,TP
-CCOCN(c1c(C)cccc1CC)C(=O)CCl,FP
-[O-][N+](=O)c1ccccc1S(=O)(=O)O,TN
-CCCCCCC(=O)OCC,TN
-CC(OC(Cl)(C)C)(Cl)C,NA
-CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],FP
-Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
-O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],TP
-CC(=C)C(=O)OC[C@H]1CO1,FN
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-[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,TP
-COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,FP
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-ClCC(=O)c1ccc(cc1)NC(=O)C,TP
-OCNC(=O)CCl,NA
-ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,TP
-O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,TP
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-OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,NA
-OCCI,NA
-C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,TN
-Clc1ccc(cc1)S(=O)O,TN
-O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,TN
-Oc1ccccc1c1nc2c(o1)cccc2,TN
-ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,FP
-O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,TP
-ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,TN
-[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,FP
-CCCCN(CCC(=O)O)N=O,TP
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+Oc1ccc(cc1N)S(=O)(=O)C,FP
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+ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,TP
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+Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,TN
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Clc1ccc2c(c1)oc1c2cccc1,FN
-COc1cc(OC)c(cc1C1OC1C)OC,TP
-NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-COc1c2OCOc2cc2c1nc1occc1c2OC,TP
-Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,TP
-OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,TP
-[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
-CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,FN
-CCCCCCCCCC(=O)O,TN
-NC(C(=O)O)CSC(C(Cl)F)(F)F,TN
-COc1c2ccc(=O)oc2c(c2c1cco2)OC,FP
-CNC(=O)Oc1cccc2c1OC(C2)(C)C,TN
-NC(C(=O)OC(C)(C)C)CN=N#N,TP
-CCCCOC(=O)COc1ccc(cc1Cl)Cl,TN
-Nc1ccc(c(c1Cl)Cl)Cl,TN
-Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,TP
-C/C=C\C=C,FP
-Clc1cccc2c1nccc2,TP
-OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,TP
-CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,TN
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-O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,TN
-[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,TP
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+Sc1ncc(c(n1)O)C,TN
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+C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,TP
+ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,FN
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+COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,TP
+OC(=O)CC(C(=O)O)N,TN
+CC12OOC2(C)c2c(O1)ccc1c2cccc1,FP
+N#Cc1cc(ccc1N)[N+](=O)[O-],TP
+Cc1ccc(cc1N)N=Nc1ccc(c(c1)N)C,TP
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,TN
+c1ccc2c(n1)c1CCC3C(c1cc2)O3,FP
+[O-][N+](=O)c1cc(C(=O)O)c(c2c1C(=O)c1ccccc1C2=O)N,TP
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,TN
+CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,TP
+OCC(C(C(C(C=O)O)O)O)O,TN
+CCNC(=O)C(OC(=O)Nc1ccccc1)C,FP
+CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,NA
+CC(N1C(=O)SCN(C1=O)c1ccccc1)C,TN
+Nc1ccc2c(c1N=Nc1ccccc1)cccc2,FP
+CC(Nc1nc(O)nc(n1)O)(C)C,TN
+CC(=O)c1ccc(c(c1Cl)Cl)Cl,FN
+OC1c2cccc3c2c2c(C1O)c1ccccc1cc2cc3,TP
+OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
+C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,TP
+O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,TN
+[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],TP
+Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,TN
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,TP
+C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,TP
+CC(OC(=O)COc1ccc(cc1Cl)Cl)C,TN
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)NC1CCCCC1,FP
+Nc1cc(N)c(cc1N=Nc1ccccc1C)C,TP
+C=CCc1ccc(cc1)O,TN
+CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,TP
+ClCc1cccc2-c3c4c(-c12)cccc4ccc3,TP
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+O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,TN
+C1CCOCO1,FN
+C[C@@H]1O[C@@H](C)O[C@H](C1)OC(=O)C,FN
+CC1(C)C2CCC3(C1C2)CO3,TN
+OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(=O)[C@@]34CC[C@H]([C@@H]([C@H]4C4=CC[C@H]5[C@@]([C@@]4(CC3)C)(C)CC[C@@H]3[C@]5(C)C[C@H]([C@@H]([C@@]3(C)CO)O)O)C)C)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O,TN
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+CCOP(=S)(OP(=S)(OCC)OCC)OCC,FN
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O[C@H]1O[C@@H](C)[C@@H]([C@@H]([C@@H]1O)O)O)c1ccc(c(c1)OCCO)OCCO,TN
+CN(N=Nc1ccc(cc1)Br)C,TP
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+CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,TP
+CCCCNCCCC,TN
+Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
+CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,TN
+ClCCCN(COC(=O)C)N=O,TP
+O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],FP
+O=C(N(C)C)Nc1ccc(c(c1)Cl)C,TN
+Cn1c(N)nc2c1cc1ccncc1n2,FN
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+O=C1CCCCCO1,TN
+OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],TP
+OC(=O)C(c1ccc(cc1)Oc1nccs1)C,TN
+ClCCN(C(=O)NC1CCCCC1)N=O,TP
+[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,TN
+OC(=O)c1ccccc1Cl,TN
+Oc1cc(O)cc(c1)O,TN
+NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,NA
+Cc1ccc(cc1)/N=N/N(C)C,TP
+CCCCCCCC/C=C\CCCCCCCC(=O)OC,TN
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,TP
+COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,TN
+BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,TP
+Clc1ccc2c(c1)C(=NC=C1N2C=NN1)c1ccccc1,TN
+Brc1c(Oc2ccccc2)c(Br)c(c(c1Br)Br)Br,TN
+CCCCCCCCS(=O)[C@@H](Cc1ccc2c(c1)OCO2)C,TN
+Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)cccc2,TN
+Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,FP
+Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,TN
+CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,TP
+Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,TP
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+CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C,TN
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+OCc1ccc(cc1)[N+](=O)[O-],TN
+OC1COC(C(C1O)O)NCCc1c[nH]c2c1cccc2,FN
+CC(CCOS(=O)(=O)C)C,TP
+O=C(c1ccccc1N)OC1CCCCC1,TN
+C/C=C(\C=O)/Cl,TP
+O/N=C/C1N(CCN(C)C)C=CN1C,TN
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO,TN
+ONc1ccccc1,TP
+NCc1ccc(cc1)CN,TN
+[O-][N+](=O)c1c(C)cccc1C(=O)O,TP
+Nc1ccc(cc1)C(=O)N,FP
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,TP
+OC(=O)C1CSSC(C(=O)N1)(C)C,TN
+CCCCOc1ccc(cc1)N=O,TP
+Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccccc1)S(=O)(=O)O,FP
+CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,TN
CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,TP
-Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
-Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,TP
-O=C/C(=C(/C(=O)O)\Br)/Br,TP
-O=C1CSC(=S)N1,NA
-N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,NA
-BrCC=C,NA
-CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,NA
-[O-][N+](=O)c1ccc(o1)c1cscn1,TP
-NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],TP
-O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,TN
-Clc1ccc(c(c1)Cl)Cl,TN
-N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,FP
-O=NN(Cc1cccc(c1)OC)C,TP
-[C-]#[O+],NA
-CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,TP
-Cc1cc(C)cc(c1)N,FN
-Oc1c(Cl)cc(c(c1Cl)Cl)Cl,TN
-CC(=O)Oc1cccc2c1nccc2,FP
-Fc1cc(F)c2c(c1)nccc2,TP
-CCCCCCCCCCOC(=O)C(=C)C,TN
-O=C(c1ccccc1)C(=O)C,TN
-Cc1ccc2c(c1)c(C)c1c(c2)cccc1,TP
-OCC1OC(CC1O)n1cnc2c1ncnc2N,TN
-CC(S)C,NA
-Clc1cccc2c1cc1ccccc1c2,FP
-c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,TP
-CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,TP
-Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,FP
-CC(=O)N(c1ccc(c(c1)Cl)Cl)O,TN
-OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,TP
-ClC(c1ccccc1)C(=O)NCc1ccccc1,TP
-O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,TN
-Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,TN
-OCC1OC(CC1O)n1cc(C=O)c(=O)[nH]c1=O,TN
-O1C(C1c1ccccc1)c1ccccc1,FP
-OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,FP
-OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,TP
-Cc1nccc2c1[nH]c1c2cccc1,TP
-O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,TP
-CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,TP
-COc1ccc2c(c1)oc(=O)cc2CBr,TN
-Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,TP
-Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,FP
-c1ccc2c(c1)cccc2,FP
-COc1ccc(cc1)O,TN
-Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,TP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,TP
-C[C@H](CNC[C@H](O)C)O,TN
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-[O-][N+](=O)[CH-]CCC,TN
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-[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,TP
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-O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,TP
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-C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,TN
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-Nc1cccc2c1nc1c(N)cccc1n2,FP
-CN(CC[C@H](c1ccccn1)c1ccccc1)C,TN
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OS(=O)(=O)ONNCCc1ccccc1,FN
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-CCN=NC(OO)(C)C,FP
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-[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,TN
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-CCCCOC(=O)c1cccc2c1nccc2,TN
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-[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,FP
-[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,TN
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-[O-][N+](=O)c1ccc2c(c1)n[nH]c2,TP
-O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,TN
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-[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,TN
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-[O-][N+](=O)c1cccc2c1csn2,TP
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-[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,TP
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-O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],TP
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-CCN(c1ccc(cc1)N=Nc1cccnc1)CC,TN
-COCCOC(=O)C,FN
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-OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,TN
-[O-][N+](=O)c1ccc2c(c1)cccn2,TP
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-CCCCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCCCC,TP
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-O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,TN
-CC(=C)C(=O)O,TN
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-CCN1CCN(CC1)c1cc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O,TP
-CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,TP
-BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,TP
-OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,TP
-CC(=O)N(c1ccc(cc1)c1ccccc1)O,TP
-O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,TP
-[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,TP
-CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,TP
-CCCCCCC(C(=O)OC[C@@H]1CO1)(C)C,FN
-FC(=C(F)F)F,NA
-[O-][N+](=O)[C@@H](CO)C,TN
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-C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,TN
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-COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,FN
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-OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O,TN
-CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,TN
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-COC(=O)c1cc2OCOc2c2c1c(cc1c2cccc1OC)[N+](=O)[O-],TP
-C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,TN
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-O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],FP
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-O=NN(c1ccccc1)COC(=O)C,TP
-Cn1cccc1,TN
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-[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,TP
-O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,TP
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-Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,TP
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-O=C/C=C/c1ccc(cc1)N(C)C,TN
-C/C=N/N(C=O)C,NA
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-[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,TP
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-O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,FN
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-CC(S(=O)(=O)Cl)C,NA
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OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,TN
-O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,FP
-OC[C@H]1O[C@H](C[C@H]1O)n1cc(CO)c(=O)[nH]c1=O,FN
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-[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,TP
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-C=CC(=C)C,TN
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-[O-][N+](=O)c1ccc(o1)C(=O)OC,TP
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O=C1N(C)CCCN1C,NA
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-O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,TN
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OOC12C=CC3C(C2(C)CCC(C1)O)CCC1(C3CCC1C(CCCC(C)C)C)C,FN
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CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3O,TP
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-[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,TP
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CCN=NO,TP
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-O=C1NC(=O)C(=C1Cl)Cl,NA
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-[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],TP
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-[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,FP
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-[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,FP
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Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,FN
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O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,TN
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-O=C1c2cc(ccc2OC21CC2)C(=O)C,TN
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-[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,TP
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-CCCCN(CCCC)N,TN
-Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,TP
-Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,TP
-Cn1sc(cc1=O)Cl,NA
-Clc1cccc(c1)Br,TN
-CC(c1ccccc1)C,TN
-NC(=O)C=C,TN
-[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,TN
-OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,TN
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-O=NN1CSCC1,TP
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-CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,TN
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-CC(Nc1nc(N)nc(n1)Cl)C,TN
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-[O-][N+](=O)c1cccc2c1nccc2,TP
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-[O-][N+](=O)c1ccccc1Cl,TP
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-[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],TP
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CCSCCOP(=S)(OCC)OCC,FN
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C[C@@H]1CC[C@H](C(=O)C1)C(C)C,FN
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-[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,FP
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COc1cc(CNC(=O)C(Br)C)ccc1O,TP
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-[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],TP
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[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,TN
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BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,FP
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-[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,TP
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-[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],FP
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-O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],TP
-OCc1ccc2-c1cc(ccc2C)C(=C)C,TP
-C[C@@H]1CC[C@H](CC1)C(C)C,TN
-O=C1C(=O)c2ccccc2-c2c1cccc2,FP
-CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,TP
-ONc1ccc(cc1C(C)(C)C)c1ccccc1,TP
-O/N=C/c1ccccn1,TN
-ClCCCCN(COC(=O)C)N=O,TP
-COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,TP
-CNC(=O)Oc1cccc2c1cccc2,TP
-CNC(=O)Oc1cccc2c1cccc2,FP
-Nc1cc(C)c(c(c1)[N+](=O)[O-])N,TP
-ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,FP
-CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],TP
-BrC(C(Br)Br)Br,NA
-Nc1cccc2c1ccc1c2cccc1,TP
-CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,TP
-Cc1ccccc1,TN
-COc1nncc2c1cccn2,FP
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-[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,TP
-COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,FN
-O=Nc1n(C)cnc1c1ccccc1,TP
-c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,TP
-C1C2SCC=CN2C1=O,NA
-CSCCC=O,TN
-OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,TN
-[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,TP
-[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,TP
-COc1cccc2c1C(=O)c1c(C2=O)cccc1,TP
-CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,FP
-CCCCCCNCCCCCC,TN
-O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,TN
-ClC(=C)C=O,TP
-[O-][N+](=O)c1c2ccccc2cc2c1cccc2,TP
-CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,TN
-N#CC1=C(SCCS1)C#N,NA
-BrC(C=O)CBr,NA
-[O-][N+](=O)c1ccc(c(c1)O)N,TP
-Cc1ccc(o1)C=O,FP
-O=CN(N=O)C,TP
-OCC(C(CO)O)O,TN
-c1ccc(cc1)NN=Nc1ccccc1,TP
-Clc1ccc(cn1)Cl,TN
-OC(=O)C1=CC(N(C1(C)C)O)(C)C,NA
-CC(CN(CC(C)C)N)C,FN
-Cc1cc(C)c2c(n1)cc(c(c2)C)N,TP
-N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],NA
-Cc1ccc(c(c1)[N+](=O)[O-])C,TP
-O=C1C=CC(=O)C=C1c1ccccc1,FP
-O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,TP
-CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],TP
-CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,NA
-CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,NA
-OC(=O)c1ccco1,TN
-[O-][N+](=O)OOC(=O)C,NA
-Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,TP
-OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,TN
-CCOC(=O)CC(C)C,TN
-COc1nsc2c1cc(N)cc2,TP
-O=NN(C(=N)N[N+](=O)[O-])C,TP
-O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],TN
-O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,TP
-OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,TN
-Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,TP
-Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,TP
-Br[C@H](CBr)COC(=O)C=C,FN
-CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,TP
-Oc1ccccc1Cl,TN
-Nc1cc2ccccc2c2c1cccc2,TP
-[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],TP
-OCCN(N=O)CCO,TP
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],TP
-C=CC(=O)OCCN(C)C,TN
-ClCCNCCCl,TP
-O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,TN
-COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,TN
-Fc1ccc(c2c1ccc1c2cccn1)F,TP
-COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,TP
Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,TN
-C1OCCO1,TN
-CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,FN
-COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,FP
-BrCC(CBr)Br,TP
-[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,TP
-CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,TN
-CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
-CC(=O)Nc1ccnc2c1cccc2,TN
-CNP(=S)(N1CC1)N1CC1,NA
-BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,TP
-ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,TP
-Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,TP
-CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,NA
-CCCCN(CCCO)N=O,TP
-[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,TP
-CC(Br)Br,NA
-BrCCOC(=O)C=C,FN
-Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],TP
+CCOC(/C=C(\CCC=C(C)C)/C)OCC,TN
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,FN
+N#CCC[C@](C#N)(CBr)Br,TN
+OC1CCN(CC1)c1c(F)cc2c3c1CCC(n3cc(c2=O)C(=O)O)C,FP
+O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,TP
+Cc1cc(O)c(c(=O)o1)C(=O)C,NA
+Nc1cccc(c1)C(F)(F)F,TN
+ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,TN
+OC(=O)COc1ccc(cc1)Cl,TN
+[O-][N+](=O)[C@@H](CC)C,TN
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,TP
+CC(=C)C(=O)OC(C)(C)C,TN
+C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,FN
+C=CCOC(=O)c1ccccc1C(=O)OCC=C,TN
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],TP
+CN(C)C,TN
+OS(=O)(=O)O.NNc1nnc(c2c1cccc2)NN,TP
+c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,TP
+CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,TP
+CCOc1nc(NC)nc(n1)N,TN
+COc1ccc2c(c1)c(=O)c1c(o2)cc(cc1O)O,TP
+Cc1cccc2c1cc1ccc3c(c1n2)cccc3,TP
+Cc1n[nH]c(=O)[nH]c1=O,FP
+O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,TN
+c1ccc2c(c1)cc1c(c2)c2cnccc2cc1,TP
+NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,TP
+Clc1ccc(cc1)[N+](=O)[O-],TP
+CCOC(=O)N(N=O)CC,TP
+OC(=O)Cc1ccc(cc1)N,TP
+ClCCN(CCCl)CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,TP
+Clc1ccc(c(c1)[N+](=O)[O-])C,TN
+Cc1ccc2c(c1)ccc1c2cccc1,TP
+Nc1nc(N)c2c(n1)[nH]cn2,FP
+COc1ccc2c(c1)oc(=O)cc2CBr,TN
+COC(=O)C1=C(C)C(OC1=O)C(C)C,FN
+OC1CC[N+](CC1)(C)C.[Cl-],TN
+OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,TP
+Fc1cnc2c(c1)c(N)ccc2,FN
OCCCCO,TN
-Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,TP
-COP(=S)(OC)Cl,NA
-O=C(c1ccc(cc1)Cl)NCOC(=O)C,TN
-[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],TP
-COc1cccc(c1O)C=O,TN
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,TP
-OCCc1c[nH]c2c1cccc2CC,TN
-CC12OOC2(C)c2c(O1)cccc2,TP
-COC(=O)c1ccccc1N,TN
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,TP
-O=Cc1ccc(cc1)[N+](=O)[O-],TP
-Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,TN
-ICI,NA
-CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,TP
-N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,TP
-ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,TN
-BrC(C1=C(Br)C(=O)OC1O)Br,TP
-CC(=O)Nc1cccc(c1C(=O)O)N,TP
-OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,TP
-CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1c(O2)c(CCCCC)c(c(c1)O)C(=O)O,TN
-C/C=C\C=O,TP
-OC1C(O)c2ccc3c4c2c2=C1c1ccccc1-c2cc4ccc3,FP
-OC(=O)/C=C/c1ccc(c(c1)O)O,TN
-Fc1cnc2c(c1)c(F)ccc2,FP
-N#CCCC(=O)CCc1ccc(cc1)C(=O)O,FN
-CCCCCl,TN
-NNCCO,FN
+CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,FP
+CC(=C)OC(=O)C,TN
+C/C=N\O,FN
+CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,TP
+CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,TP
+CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,TN
+CCCCCCCCCCCCS,TN
+CCOc1ccccc1N,FP
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,TN
+OC(=O)/C=C\C(=O)O,TN
+Cc1cc(C)c(c(c1)C)N,TP
+Nc1cccc(c1)S(=O)(=O)O,TN
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,FN
+CCN1CCNC(=O)C1=O,NA
+Clc1ccc(c(c1)Cl)[N+](=O)[O-],TP
+OC(=O)CCC(=O)O,TN
COc1cc(cc(c1O)OC)C(=O)C,TN
-N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-ClC(C[C@@H]1OC1)(Cl)Cl,TP
-CC(=O)OC=C,TN
-OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,TN
-C1CCc2c(C1)ccc1c2cc2-c3ccccc3CCc2c1,TP
-[O-][N+](=O)c1cccc(c1N)C,TP
-ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,TN
-C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C,TN
-CCCN(CCCC(=O)O)N=O,TP
-OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,TP
-CCCCO,TN
-ICCc1ccccc1,TN
-O=NN(C(=O)O/N=C(\SC)/C)C,TP
-O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,TP
-ClC(=C(c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl)Cl,TN
-CCCCCCCCSCN1C=CN(C1)C,TN
-O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,TP
-O=S1(=O)CC=CC1,NA
-CCCCCCC=C,TN
+[O-][n+]1ncc2c(c1)cccc2,TN
+Cc1ccco1,TN
+OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,TN
+ClC([N+](=O)[O-])(Cl)Cl,TP
+Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,TP
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,TP
+Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,TN
+O/N=C/c1ccncc1,TN
+O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,TP
+O=C(C1=C(C)OCCS1)Nc1ccccc1,TN
+O/N=C(/c1ccccc1)\N,TP
+CCCCCCCCCCCCN(N=O)C,TP
+O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,TN
+[O-][N+](=O)NC(=N)NC,FP
+Oc1ccc2c(c1)cccc2,FP
+Nc1ccc(c(c1Cl)Cl)Cl,TN
+OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,TP
+COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,TN
+CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,FP
+CC(COS(=O)(=O)c1ccccc1)C,FN
+OC(=O)[C@H](CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,TP
+OCC(CBr)(Br)C,FP
+Clc1ccc(cc1)CNC1CCCC1,TN
+CCCON(C(=O)c1ccccc1)OC(=O)C,TP
+COC(=O)c1ccccc1C(=O)OC,TN
+CCCCCCC(=O)OCC,TN
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],TN
+Nc1ccc2c(c1)c(Cl)ns2,TP
+C=CC(=O)OCCCCOC(=O)C=C,TN
+OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,TP
+OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,TP
+CCOC(=O)C,TN
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,FN
+c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,TP
+CN(CCOC(=O)C(=C)C)C,FN
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,TP
+O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,TP
+O=C1C=CC(=O)C(=C1)C(C)(C)C,FN
+COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,NA
+Cc1cc(C)c2c(n1)cc(c(c2)C)N,TP
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,TP
+Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,TP
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,TP
+OC(=O)CN=N#N,FP
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,TP
+OC[C@@H](CI)O,FN
+[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,TP
+Fc1cc2cccnc2c(c1)F,TP
+Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],TP
CCCCC1CO1,TN
-S=P(N1CC1)(N1CC1)N1CC1,NA
-Fc1c(F)c(F)c(c(c1F)Cl)F,TN
-CNP(=O)(N(C)C)N(C)C,NA
-Brc1cc(Br)cc(c1c1c(Br)cc(cc1Br)Br)Br,TN
-CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,TN
-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],TP
-ClCC#N,NA
-CN(CCN(c1ccccn1)Cc1cccs1)C,TN
-O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,FN
-[O-][N+](=O)c1cc2ccccc2c2c1cccc2,TP
-Oc1ccc(c2c1c(O)c1ccccc1c2O)O,TP
-C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,TN
+N#N=Nc1nc2c(n1C)ccc1c2cccc1,TP
+O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],TP
+COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,FP
+OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,TP
+O=C/C=C(\CCC=C(C)C)/C,TN
+[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],TP
+BrCC1=C(Br)C(=O)OC1O,TP
+NC1c2ccccc2-c2c1cccc2,FP
+BrCC(=O)c1ccccc1,FP
+ClCc1ccc(cc1)C(F)(F)F,TN
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,TP
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,TP
+CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,FP
+[O-][N+](=O)c1cccc2c1c(C)ccc2,TP
+CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,NA
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,TN
+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,TP
+CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,TN
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,TP
+O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,FN
+ONc1cc[n+](c2c1cccc2)[O-],TP
+OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,TP
+CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,TP
+CCOCC(=O)O,TN
+Oc1ccccc1/C=N/c1snc2c1cccc2,FP
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],TN
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,TN
+CNc1nc(OCC(F)(F)F)nc(n1)N,TN
+[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,TP
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,TN
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,FP
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,TP
+CN(CCCNc1c2ccccc2nc2c1cccc2)C,TP
+CCc1nc2c(nc1CC)ccc(c2C)NC,TP
+CCCC/C=C/C=O,FN
+COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,FP
+OCc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
+NCCO,TN
+c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,TP
+Oc1cnnc(n1)O,FN
+CCCCCCCCCCCCCCCC[C@H]1CO1,TN
+OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,TN
+OC(=O)C(CC(=O)c1cccc(c1N)O)N,TN
+Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,TP
+Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,TP
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,TP
+OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,TN
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,TN
+Brc1cccc2c1cc1ccc3c(c1c2)cccc3,TP
+Clc1ccc(c(n1)C(=O)O)Cl,TN
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,FN
+CC(=O)Nc1snc2c1cccc2,FN
+OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,TN
+Cc1ccc(c(c1)N)N,FN
+CCC(=O)/C=C/C1C(=CCCC1(C)C)C,FP
+CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,FN
+c1ccc(cc1)Cn1cncc1,TP
+ClCCN([P@]1(=O)NCCCO1)CCCl,TP
+CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,TN
OC(=O)c1cccc(c1)[N+](=O)[O-],TP
-Clc1ccc(cc1N)C(F)(F)F,TN
-c1cnc2c(c1)C1OC1CC2,TN
-CCCCOC(=O)/C=C\C(=O)OCCCC,TN
-CCCCN(CCCC(=O)O)N=O,TP
-Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,FP
-C1CCC2(CO1)CO2,TP
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,TP
-CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,TP
-CC([N+](=O)[O-])(C)C,FP
-CCCCCCCCCC=C,TN
-CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,TN
-[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],TP
-CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,TN
-OCC(CBr)(CBr)CBr,TP
-Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,TP
-[O-][n+]1ncc2c(c1)ccnc2,TN
+CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,TN
+O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],TP
+C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,TP
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TP
+[O-][N+](=O)c1ccc2c(c1)ncn2C,FP
+Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,TP
+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,TN
+[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,TN
+ClCC(C(=C)Cl)Cl,FN
+C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,TN
+Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,TP
+NN(c1ccc(cc1)C)c1ccc(cc1)C,TP
+FC(c1ccccc1)(F)F,TN
+O=c1cn[nH]c(=O)[nH]1.OCCNCCO,TP
+COc1ccc(c(c1)C)N,TP
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,FN
+CCCC[C@H](COC(=O)CCCCC(=O)O)CC,TN
+[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,TN
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,TP
COc1ccc(cc1)N=O,TP
-CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,FP
-N#CCCCCC#N,TN
-COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,FN
-ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,TP
-COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],TP
-[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],TP
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,TN
-CC(OC[C@@H]1OC1)C,TP
-Cc1ccccc1Cl,TN
-O=C1OC2=CCO[C@H](C2=C1)O,NA
-O=C=Nc1ccc(cc1)N=C=O,FP
-COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,FN
-CCCCOCCOCCOCCCC,TN
-C=Cc1ccccn1,TN
-CN(CCOC(=O)C(=C)C)C,FN
-ClCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCl,TP
-COc1cccc2c1C1(C)OOC1(O2)C,TP
-Cc1cnc2c(n1)c(C)c1c(c2)nc(n1C)N,TP
-Cc1ccc2c3c1ccc1c3c(C2)ccc1,TP
-Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,TP
-Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,TP
-CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,TP
-N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,TP
-Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
-Br/C(=C\c1ccccc1)/[N+](=O)[O-],TP
-CC(Cl)C,TP
-CCO,TN
-O=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1,FN
-OC(=O)C[C@@H](C(=O)O)C,TN
-OC[C@@H]1SCCN1N=O,TP
-OCCNC(=O)C(O)C,FN
-Cc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
-O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,TN
-OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,TP
-Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,TP
-CC(=O)OCCOCCOCCOC(=O)C,FN
-CC(OOC(C)(C)C)(CCC(OOC(C)(C)C)(C)C)C,TN
-Oc1ccc(cc1O)C(C)(C)C,TN
-Clc1ccc2c(c1)cccc2,FP
-CCCCCC(=O)OCC,TN
-OCC(C)C,TN
-OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,TP
-CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,TP
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,TP
-O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,FP
-c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,TP
-COS(=O)(=O)C(F)(F)F,NA
-NNC(=O)c1ccncc1,FN
-CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,FP
-COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,FN
-c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,TP
-CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,TN
-C[C@H](C(=O)NCC(=O)O)S,FP
-COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,TN
-OC(=O)Cc1ccccc1[N+](=O)[O-],FN
-OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,TN
-CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,TP
-COS(=O)(=O)C,TP
-Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,TP
-[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,FP
-OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,TN
-FC(C(F)(F)F)Cl,NA
-CCCCCCCCCCCCOS(=O)(=O)O,TN
-C[C@@H]1CCC(=C(C)C)C(=O)C1,TN
-CC(=O)c1cccc2c1OC1(C2(C)OO1)C,TP
-BrCc1c2ccccc2cc2c1c1ccccc1cc2,TP
-ClCC=O,NA
-CCC(Nc1snc2c1cccc2)C,TN
-OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,TP
-NC(=O)Nc1ccc(cc1)C,TN
-CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,TP
-ClCCC(=O)N(c1snc2c1cccc2)C,FN
-CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,FN
-NC(=O)Nc1cccc2c1nccc2,FP
-c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,TP
-OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,TP
-CC1CCCO1,FP
-O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,TP
-NC(=O)N,FP
-Oc1ccc(cc1)[N+](=O)[O-],FP
-C[C@H]1CC(=O)O1,FN
-CSCCC(C(=O)O)N,TN
-O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],TP
-ONc1nc2c(n1C)ccc1c2nc(C)cn1,FN
-ClC(C(=CC(=O)O)C(Cl)Cl)Cl,FN
-O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,TN
-CC1(C)C2CCC3(C1C2)CO3,TN
-Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,TN
-Ic1ccc2c(c1)c(N)c1c(n2)cccc1,TP
-O=NN(C(=O)N)CC(=O)O,FP
-O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,FN
-CCCCCC[N+](=O)[O-],TN
-CN(C(=O)OCC)N=O,TP
-O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,TP
-COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,FN
-CC(=O)OCC12OOC2(C)c2c(O1)cccc2,TP
-CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,TN
-[O-][N+](=O)c1nccn1C,TP
-Fc1ccc(c(c1)[N+](=O)[O-])F,TP
-CCCN=NC(OO)(C)C,TP
-Fc1ccc2c(c1)nccc2,TP
-BrC=C,NA
-O=NN([C@@H](c1ccccc1)OC(=O)C)C,TP
-O=C/C=C\c1ccco1,TN
-N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,FN
-Cc1cc(ccc1N)N=Nc1ccccc1C,TP
-CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,TN
-C[n+]1c2ccccc2cc2c1cccc2,TP
-Cc1cc(N)cc(c1)N,FP
-N#CC(C(C#N)(C)C)(C)C,NA
-Cc1ccc(c(c1)C)[N+](=O)[O-],TP
-CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,FP
-CC(c1ccc(c(c1)O)C)C,TN
-Oc1cccc2c1C(=O)c1ccccc1C2=O,TP
-NCCNc1cccc2c1cccc2,TP
-SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,NA
-CN(C[C@@H](Cl)C)C,TP
-COc1cccc(c1)[N+](=O)[O-],FP
-OCc1c(OC2OC(COC3OCC(C(C3O)O)O)C(C(C2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
-OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,TN
-CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,TN
-C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,TP
-COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,TN
-ClCC(=O)Nc1c(CC)cccc1CC,FN
-NN(C(=O)C)C(=O)C,TN
-Nc1ccc2c(n1)n1ccccc1n2,TP
-OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,TP
-OCCN(c1ccc2c(c1)cccc2)CCO,TP
-O=C(c1ccccc1)c1ccccc1,FP
-OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,FN
-O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,TP
-CC(=O)OO,TN
-COCCOCCOC,FP
-Nc1ccc2c(n1)[nH]c1c2cccc1,TP
-OC(=O)CCCC[C@H]1SSCC1,TN
-Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,FP
-SCCc1cnccn1,TN
+ClCC1=CC(=O)OC1,TP
+Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,TN
+OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,TN
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,TP
+OCC1OC(CC1O)n1cc(C=O)c(=O)[nH]c1=O,TN
+Clc1nnc(c2c1cccc2)Cl,FP
+O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
+ClCC(CBr)(Br)C,TN
+BrC(=C)C(=O)O,FP
+Nc1nc(N)c2c(n1)nc[nH]2,FP
+S=C=Nc1cccc2c1cccc2,TP
+[O-][N+](=O)c1cnc(n1C)c1nnc(s1)N,TP
+BrC(c1ccccc1)C(=O)NCc1ccccc1,FP
+CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+BrCCCCBr,TP
+COCC12OOC2(C)c2c(O1)cccc2,TP
+OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,TN
+CC[C@H]([C@@H](CO)C)C,TN
+CO/N=C(/c1nsc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C[n+]1ccn2c1cccn2,TN
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,TP
+CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,TN
+Clc1cccc(c1)c1nc2c(o1)cccc2,TN
Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],TP
-CNCC(=O)O,TN
-N/N=c/1\sc2c(n1C)cccc2,FN
-Oc1cccc2c1ccc1c2ccc2c1cccc2,TP
-OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,TN
-OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,TN
-O=C/C=C/c1ccccc1Cl,FN
-CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,TP
-NC1CCCC(C1)N,TN
-c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,TP
-CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,TP
-CC(=C)[C@@H]1CC=C([C@H](C1)O)C,TN
-C=CCOC(=O)CC(C)C,TN
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,FP
-BrCc1ccc(cc1)[N+](=O)[O-],FN
-[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,TP
-Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
-OC(=O)CCc1c[nH]c2c1cccc2,TN
-OCc1ccnc2c1cccc2,FP
-O=CN(C(=O)N(C)C)C,NA
-ONc1ncnc2c1ncn2C,TP
-O=C1OC(=O)c2c1cccc2,TN
-N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-OCc1ccc2c3c1-c1ccccc1-c3ccc2,FP
-NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,TN
-[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],TP
-NC(C(=O)O)CSC(=O)NCCCl,TP
-[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,TP
-CCCCOCCOCCSC#N,TN
-c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
-CCCCN,TN
-[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],TP
-O(Cc1ccccc1)CC1OC1,TP
-Nc1scc(n1)c1cccnc1,FP
-O=C(Cc1ccccc1)OCc1ccccc1,FP
-O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,TP
-O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,TN
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CC(=O)OCc1cccc(c1)[N+](=O)[O-],TN
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-[O-][N+](=O)c1ccc(c(c1)Cl)Cl,TP
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OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,TP
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-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],TP
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-C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,NA
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-[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,TP
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O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,TP
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-[O-][N+](=O)c1ccccc1C,FP
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-C1CC[C@@H]2[C@@H](C1)CCCC2,TN
-Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,TP
-Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],FP
-N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,TP
-COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,TN
-Clc1cc(N)c(c(c1)Cl)O,TN
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,TP
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,TP
-O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,TN
-Clc1nncc2c1ccnc2,TN
-COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],TP
-Nc1cccc2c1cc1ccccc1c2,TP
-CSCC(C(=O)O)N,TN
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-CC(=O)[C@H](O)C,TN
-CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,TN
-OC(=O)c1cccc(c1)C(=O)O,TN
-CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,TN
-c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,FN
-COc1c2cc3OCOc3cc2nc2c1cco2,TP
-c1ccc2c(c1)cc1c3c2C=Cc3ccc1,TP
-CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,TN
-[O-][N+](=O)/C=C/c1ccc(o1)[N+](=O)[O-],TP
-CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,TP
-COc1cc(N)c(cc1N)C,FP
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,TN
-CC(=O)Nc1cccc(c1)C,FP
-COc1nncc2c1ccnc2,TN
-Nc1ncnc2c1ncn2C,TP
-CN(c1ccc2c(c1C)nc(c(n2)C)C)C,TP
-[O-][N+](=O)c1cc2c3ccccc3sc2c2c1cccc2,TP
-CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,FP
-OCCc1ccccc1[N+](=O)[O-],TP
-Cc1ccc(cc1)/C(=C\CN1CCCC1)/c1ccccn1,TN
-O=C(C(C)C)Nc1snc2c1ccc(c2)Cl,FP
+CCC(=O)Nc1snc2c1cccc2,TN
+Cc1ccc2c3c1ccc1c3c(C2)ccc1,TP
+Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,TP
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,TN
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+CC(CC1NC(=O)CNC1=O)C,TN
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+CCc1c(Br)c(Br)c(c(c1Br)Br)Br,TN
+OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,TN
+OC(=O)COc1ccccc1,TN
+O=NN(c1ccccc1)C,FN
+C=CCN1C2C1c1ccccc1-c1c2cccc1,TP
+O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,FP
+c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,TP
+BrC[C@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)O,TP
+CC(=O)O,TN
+ClCCN(c1cnc(nc1O)O)CCCl,FN
+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,TN
+N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,TP
+CN(c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,TN
+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,NA
+Cc1cccc2c1cc1ccc3c(c1c2)cccc3,TP
+OCc1c2ccccc2cc2c1cccc2,TP
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1c1c(O)cc(c2c1C(=O)c1cc(C)cc(c1C2=O)O)O)O,FP
+O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],TP
+O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,NA
+c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,TP
+CNc1c(C)cc2c(c1N)cccn2,FP
+ClCC(=O)c1ccc(cc1)NC(=O)C,TP
+OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,TN
+Nc1ccc(c(c1)S(=O)(=O)O)N,TN
+COc1cc(OC)[nH]c(=O)n1,TN
+CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],TP
+OC(=O)Cn1cncn1,TN
+[O-][N+](=O)c1cccc(c1O)c1ccccc1,FP
+Cc1nc(N)nc(n1)N,TN
+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,TN
+ClCc1ccc(cc1)OC,FP
+CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,TP
+Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,TN
+O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,FN
+[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],TP
+Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,TP
+c1ccc2c(c1)cccc2,FP
+CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,TP
+C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,TN
+OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,TN
+Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,FP
+C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,TN
+CCC(=O)Nc1snc2c1cc(C)cc2,FP
+[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,TP
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,TP
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,TN
+CS(=O)(=O)OCCCCOS(=O)(=O)C,TP
+O1C[C@H]1c1ccc(cc1)c1ccccc1,TP
+O=Cc1c2ccccc2cc2c1cccc2,FP
+OC(=O)C1CC(N(C1(C)C)O)(C)C,TN
+[O-][N+](=O)c1cccc2c1nc1ccccc1n2,TP
+CCC1=C(O)C(=O)c2c(C1=O)c(O)c(c(c2O)O)O,NA
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,TN
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,TP
+CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,FP
+c1ccc2c(c1)ccc1c2nccc1,TP
+ClC(=O)OCC1c2ccccc2-c2c1cccc2,TP
+CC(C(C)(C)C)OP(=O)(F)C,TN
+CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,TN
+CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)OCc1ccccc1,TN
+CC/C=C/C=O,FN
+CC(Br)Br,NA
C[C@H]1CN1,NA
-Oc1ccnc2c1cccc2,FP
-[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2c(ccc3ccc1)[N+](=O)[O-],TP
-O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,TP
-CC(=O)Nc1ccc(cc1)S(=O)(=O)N,TN
-CC(=O)Nc1snc2c1cc(Cl)cc2Cl,TN
-Oc1cccc2c1c1c(cc2)[nH]c2c1c1ccccc1cc2,FP
-CC(CCC[C@H]([C@@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C/C=C\1/C[C@@H](O)CCC1=C)C)C,TN
-CCOCCOCC,FN
-O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],TP
-CCCCCC(/C=C/C=O)O,TN
-OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCO,TP
-CCOc1ccc(cc1)NO,TP
-CCN(CC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C)CC,TN
-O=C1C[C@H]2C([C@]1(C)CC2)(C)C,TN
-O=C([C@H]1CCCC[C@@H]1C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,TP
-O=C1C(=O)c2c3c1cccc3ccc2,FN
-CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,TN
-c1ccc2c(c1)nc1c(c2)cccc1,TP
-OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,FP
-ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,TP
-Nc1ncnc2c1ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,TP
-Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],TP
-OCNc1ncnc2c1ncn2C1OC(C(C1O)O)CO,FN
-CNC[C@H](c1cccc(c1)O)O,TN
-NC(C(=O)O)CSC(C(Cl)Cl)(F)F,TN
-Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,TN
-COc1ccc2c(c1)nc([nH]2)N,FP
-CCC1c2ccc(cc2C(=C1c1ccc(cc1)O)C)O,TN
-[O-][N+](=O)c1ccc(cc1)c1ccccc1,TP
-OC[C@H]1O[C@@H](Oc2cc(OC)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,TP
-OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,TP
-NC(C(=O)O)CCS/C(=C/Cl)/Cl,FN
-CCOC(=O)C[n+]1csc2c1cccc2,TN
-[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,FP
-CCOC(=O)OCC,TN
-NCCc1c[nH]c2c1cc(O)cc2,TN
-OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,TN
-O=C(C(Cc1c[nH]cn1)NC(=O)C(CS(=O)(=O)C(C)(C)C)Cc1ccccc1)NC(C(C(C1CC1)O)O)CC1CCCCC1,TN
-O=NN1CCCN(CC1)N=O,TP
+C=CC(=O)NCCC[N+](C)(C)C,TN
+CCOC(=O)CNC(=O)C(Br)(C)C,TN
+Brc1ccc(cc1)[N+](=O)[O-],TP
+CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,TP
+ClCC(CCl)(CCl)CCl,NA
+O=C1OC(=O)c2c1cc(cc2)C(=O)O,TN
+CC(C(=O)NCc1ccccc1)Br,TP
+Cc1c(NC)ccc2c1nccn2,TP
+Oc1ccc(cc1)C(c1ccccc1)(C)C,TN
+OCc1ccccc1N=Nc1ccc(cc1)N(C)C,TP
+O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,TN
+Clc1cccc(c1)C(F)(F)F,TN
+O=C/C(=C(/C(=O)O)\Cl)/Cl,TP
+O=Nc1c(CC)cccc1CC,TP
+CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,TN
+Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,TP
[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,TP
-CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,TP
-OC(=O)C(=O)Nc1cccc(c1)c1n[nH]nn1,TN
-Oc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,TN
-COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],TP
-c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,TP
-OC(=O)c1ccc(o1)[N+](=O)[O-],TP
-O1C[C@@H]1c1ccccc1,TP
-CN(CCCNc1c2ccccc2nc2c1cccc2)C,TP
-CC1OC(C)CN(C1)N=O,TP
-[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],TP
-[O-][n+]1cccc2c1cccc2,FP
+Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,TN
+FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,FP
+O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,TN
+CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,TN
+CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,TP
+Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,TN
+O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,TN
+OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,FP
+CNC(=O)ON.Cl,TP
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,TP
+O=C1C(=O)c2ccccc2-c2c1cccc2,TN
+CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,TN
+CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,TN
+O=C=Nc1ccc(cc1)N=C=O,FP
+OC1OC(=O)C=C1CCl,TP
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,TN
+CCNc1nc(O)nc(n1)NC(C)(C)C,TN
+OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O,FN
+OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,FN
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,TN
+CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,TP
+CC(=O)Nc1cccc(c1)C,FP
+N#CCCCCC#N,TN
+CCOc1ccc(cc1)N=O,TP
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,TP
+CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,FN
+ClNc1ccc2-c3c(Cc2c1)cccc3,TP
+CCOP(=S)(OCC(C)C)SCCl,TN
+OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,TN
+Cc1ccc(c(c1)[N+](=O)[O-])N,TP
+OCCOCCOCC,TN
+O=C1CCCCCCCCCCCCCCO1,TN
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,TN
+O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,TP
+Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,TP
+COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],TN
+CCCCN(CC[C@H](O)C)N=O,TP
+ClCC[N+](CCCl)(C)[O-],NA
+COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,TP
c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,TP
-FC(C(Cl)(F)F)(Cl)F,TN
-O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,TP
-[O-][N+](=O)c1ccc2c(c1)csn2,TP
-CCCCCCCCCCCC(=O)N(CCO)CCO,TN
-Fc1cc2cccnc2c(c1)F,TP
-Brc1ccc2c(c1)[nH]c(c2)C(=N)N,TN
-CCNc1cccc(c1)O,FN
+Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+CCN(N=O)C=O,TP
+OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],TP
+ONc1ccc(cc1)C(=O)C,TP
+OC1=C(O)C(=O)C1=O,TN
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,TN
+[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],TN
+[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,TP
+CCC(=O)OCc1cccc(c1)[N+](=O)[O-],FP
+CCc1ccccc1O,TN
+NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,TN
+Cc1cc2ncccc2c2c1n(C)c(n2)N,TP
+O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,TP
+O/N=C/C(=O)Nc1ccccc1,TN
+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,FP
+CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,TN
+CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,TP
+Fc1c(N)cc(c(c1Cl)F)Cl,TN
+COS(=O)(=O)C,TP
+Oc1nc(O)nc(c1)C(=O)O,TN
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,TP
+CC([N+](=O)[O-])C,FN
+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,TP
C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,TP
-COc1cccc2c1OC1(C2(C)OO1)C,TP
-CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,TP
-COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,TP
-ONc1nc2c(n1C)ccc1c2cccn1,TP
-Oc1ccc2c(n1)cccc2,FP
-Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,TP
-Cc1ccc(c(c1)O)N,TP
-Nc1[nH]cnc2-c1ncn2,TP
-Cc1ccc(c(c1)N)N,TP
-c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)O3)cccc5,TP
-C=CC(=O)OCCCCOC(=O)C=C,TN
-O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,TN
-C=C[C@H](c1ccc2c(c1)OCO2)O,TN
-ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC,TP
-CC(=O)ON(c1ccccc1C)C(=O)C,FP
-OCP(CO)(CO)CO,NA
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-COc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C,TP
-NC(=O)NCC(=O)O,FP
-CNCCO,TN
-CCN(S(=O)(=O)c1ccc(cc1)N)CC,FP
-OCc1ccc2c3c1Sc1cc(Cl)ccc1-c3nn2CC[N+](CC)(CC)[O-],TP
-C/C=C\c1ccc(c(c1)OC)O,TN
-CCN(CC)N,TN
-OC1C(O)C(Oc2ccc3c(c2)c2ccc4c5c2c(c3)ccc5ccc4)OC(C1O)C(=O)O,TN
-O=S1(=O)CCCCO1,TP
-ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,TN
-OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,FP
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-[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,TP
-ClC(=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)Cl,TN
-CCSCC[C@@H](C(=O)O)N,TN
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-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,TP
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-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],TP
-ClC(=O)OCc1ccccc1,TN
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-[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
-[O-][N+](=O)C1CCCC1,FN
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CC(c1ccc2c(c1)ccc1c2cccc1C)C,FP
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-ClCCN(c1cnc(nc1O)O)CCCl,FN
-CCCCCCCCCCCCCO,TN
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-CC(COC(=O)Cc1ccccc1)C,TN
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-[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,TP
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-O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,TN
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-[O-][N+](=O)c1ccccc1C(=O)N,TP
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-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],TP
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-[O-][N+](=O)c1nc2c(n1C)cccc2,TP
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-ClCCCC(=O)N(c1snc2c1cccc2)CC,FP
-CSCNc1ccccc1,TP
-[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,TP
-ClCCOC(=O)Cl,FP
-O=C(C(C)C)Nc1snc2c1cccc2,TN
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-O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,TN
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-CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,TN
-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,TP
-OC(=O)C(Cc1ccc(cc1)O)N,TN
-BrCCSCC(C(=O)OC)NC(=O)C,TP
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-O=C(Nc1ccc(cc1)O)CC(=O)C,TN
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-CC(=O)N1CNC(=O)N(C1=O)C(=O)C,NA
-CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,TN
-OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,TP
-O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,TN
-CCCCCCCCCCCCCC=C,TN
-[O-][N+](=O)c1cccc2c1c(C)ccc2,TP
-NC(=S)NNC(=S)N,TN
-ONc1ccc(cc1)N=Nc1ccccc1,TP
-O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,FN
-Nc1nc(O)c2c(n1)nn[nH]2,TN
-CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,TP
-CCCC(=O)Nc1snc2c1ccc(c2)Cl,TN
-[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,TP
+CC1=CC(=O)CC(C1)(C)C,NA
+CC(=O)/C=C\C1=C(C)CCCC1(C)C,FP
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+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc(C)c2c1cccc2,FP
+CCCC[C@H](COC[C@H]1CO1)CC,FN
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+NC(C(=O)O)CCS/C(=C/Cl)/Cl,FN
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+CCOc1ccc(cc1)N(C(=O)C)O,FN
+Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,FP
+CCCCCCC[C@@H]1CCC(=O)O1,TN
+O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],TN
+OC(=O)c1ccc(o1)[N+](=O)[O-],TP
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+CCOc1ccc(cc1)[N+](=O)[O-],TP
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+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
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+c1cc2Cc3c4c2c(c1)ccc4ccc3,TP
+N[C@@H](C(=O)O)Cc1ccc(cc1)F,TN
+CCC(OC)(C)C,TN
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+CCCOC(=O)c1cc(O)c(c(c1)O)O,TN
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+CC1=CC[C@H](CC1)C(=C)C,TN
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+Nc1nc2c(s1)cccc2,FP
+N#CC1(O)CCCCC1,NA
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+CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,TN
+O=NN1CCN(CC1)C,TP
+CC(=O)OCN=[N+](C)[O-],TN
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+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,TN
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+OC1C2OC2c2c(C1O)cccn2,TN
+CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,TN
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+Cc1ccc(cc1)C(C)(C)C,TN
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+COc1c2oc(=O)ccc2cc2c1occ2,FN
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+OC(=O)/C=C/c1ccccc1,TN
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+O=C1c2ccccc2-c2c1c1ccccc1cc2,TN
+Oc1ccc2c(c1/N=N/c1ccccc1)cccc2,TP
+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,TP
+BrC(C1=C(Br)C(=O)OC1)Br,TP
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+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,FN
+CCCC,TN
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+Oc1c(Cl)cc(c(c1Cl)Cl)Cl,TN
+OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,TN
+CCCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,FP
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+CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,TN
+CNCCCN1c2ccccc2CCc2c1cccc2,TN
+CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,FP
+ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,TP
+OC(=O)COc1ccc(cc1Cl)Cl.CNC,TN
+Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,TN
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,TP
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+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2nc2ccc3c(c2c1)cccc3,TP
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+CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,TN
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+ClCCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,TN
+NC(=O)c1cccnc1,TN
+NCCc1c[nH]cn1,TN
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+ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,TP
+ClCCN(P(=O)(O)N)CCCl,TP
+OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,TN
+ClC[C@](CBr)(Br)C,TN
+CO/C(=C\C(=O)O)/C(=O)C(=C)C,TN
+CCCC(=O)OC1C2OP(=O)(O)OCC2OC1n1cnc2c1ncnc2NC(=O)CCC,TN
+Nc1ccc(c(c1)[N+](=O)[O-])O,TP
+OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,TN
+S=C(Nc1ccccc1)Nc1ccccc1,TN
+CCCCCCCCCCCCCC[C@@H]1OC1,TN
+Nc1ccc2c(c1)c1ccccc1cc2,TP
+ClCc1ccc2c3c1-c1ccccc1-c3ccc2,TP
+Nc1cc(Cl)c(cc1S(=O)(=O)O)C,FN
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)C)cccc3,TN
+C1C/C=C/CCC2C(CC/C=C\1)O2,TN
+COC(=O)C,FP
+Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,TP
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,TP
+CN(c1ccc(cc1)N=Nc1ccccc1)C,TP
+O(Cc1ccccc1)Cc1ccccc1,TN
+O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,FN
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1C,TP
+CNc1ccccc1,FP
+CCN([N+](=O)[O-])CCO[N+](=O)[O-],TP
+OCNC(=O)NCO,NA
+CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,TN
+CC(OC[C@@H]1OC1)(C)C,TP
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,TN
+CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,TP
+C=CCOC(=O)c1ccccc1N,TN
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+Fc1cc2cccnc2c2c1nccc2,TP
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+CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,TN
O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,FP
-Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,TP
-CCCCCC,TN
-[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],TP
-ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
-OCC(Cl)Cl,NA
-CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,TP
-CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,TP
-CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,TP
-CC1=CC(=O)CC(C1)(C)C,TN
-OC(=O)CC[C@@H](C(=O)O)N,TN
-ClCCN(P1(=O)OCCCN1CCCl)CCCl,TP
-O=Cc1ccc2-c1cocc2COC(=O)C,TP
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+C[n+]1cccc(c1)C(=O)O,TN
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+CC1OC(C)CN(C1)N=O,TP
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+OCC1OC(CC1O)n1c(O)nc2c1nc(N)nc2O,TN
+O[C@H](CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,TN
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+CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,TP
+O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,TP
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,TP
+CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,FN
+C/C(=C/C)/C#N,TN
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+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,TN
+CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,TP
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,TP
+O[C@@H]1c2ccccc2-c2c([C@H]1O)c1ccccc1cc2,FP
+Cc1ccc(cc1)/N=N/NCc1ccc(cc1)[N+](=O)[O-],TP
+OCNC(=O)C=C,TN
+C=CCc1ccccc1OC[C@@H](CNC(C)C)O,TN
+Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,TP
+c1ccc2c(c1)cnc1c2cccc1,TP
+OC(=O)c1cccc(c1C)[N+](=O)[O-],TP
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,TN
+CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,TN
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+CN=NO,TP
+O1C(C1c1ccccc1)c1ccccc1,FP
+Ic1cccc(c1)[N+](=O)[O-],TN
+C=CCN=C=S,NA
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+COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,TP
+Clc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,TN
+ClCC[N+](C)(C)C,FP
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+OC(C(=O)O)Cn1cncn1,TN
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+O=C1C=CC(=[N+]=[N-])C=C1,FN
+N#CCc1ccccc1,TN
+OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,TP
+Clc1cccc(n1)Cl,TN
+c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,TP
+O=c1oc2cccc3c2c2c1cccc2cc3,FP
+CCCCCCCCCCCCO,TN
+[O-][n+]1cccc(c1)C1CCC(=O)N1C,TN
+COc1cccc2c1C(=O)c1c(O)c3C(O)CC(Cc3c(c1C2=O)O)(O)C(=O)CO,TP
+CC(=O)Nc1ccc(cc1)/C=C\c1ccccc1,TP
+OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2N,TN
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(n1)C(=O)N,TN
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,TP
+BrCC(=O)N(Cc1ccccc1)C,FP
+OCc1nc(Nc2ccccc2)nc(c1)C1CC1,TN
+CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,TN
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+OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
+[O-][N+](=O)c1ccc(c(c1)N)O,TP
ClCC(C(Br)(C)C)Br,FP
-Cc1ccccc1c1nc2c(o1)cccc2,TN
-COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,TN
-O=NN(Cc1ccccc1)C,TP
-[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,TP
-Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,TP
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-O=C(Nc1c(C)cccc1C)CN1CCCC1=O,TN
-C=C[C@@](CCC=C(C)C)(O)C,TN
+O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,FN
+O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,NA
+O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,TN
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+Oc1ccc2c(c1)cccc2O,TP
+Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,TP
+CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,TN
CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,TP
-COc1c2cc(OC)ccc2nc2c1cco2,TP
-CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,TN
-c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,TP
-CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-c1ccc2c(n1)c1CCC3C(c1cc2)O3,FP
-[C-]#N,NA
-COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],FP
-Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,TP
-[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,TP
-Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,TN
-CCc1ccccc1[N+](=O)[O-],TN
-ClC(c1ccccc1)C(=O)Cl,TP
-OC(=O)Cc1ccc(cc1)N,TP
-CCCSC(=O)Cl,NA
-[O-][N+](=O)NC(=N)NC,TP
-[O-][N+](=O)NC(=N)NC,FP
-Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,TN
-COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,TP
-COCC12OOC2(C)c2c(O1)cccc2,TP
-Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-O1COCOC1,TN
-OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO,TN
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-[O-][N+](=O)c1cc2c(N)snc2cc1,TP
-C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,NA
-Cl[C@@H](C(F)(F)F)Br,NA
-NCCNCCNCCN,TP
-CN(c1ccc(cc1)N=Nc1ccccc1)C,TP
-CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,TN
-C=CCCCC[C@@H]1OC1,TP
-NCCCN,TN
-C1CC=C2C(C1)CCc1c2cccc1,TP
-Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-ClCc1ccccc1CCl,FP
-Cn1cnc(c1c1ccccc1)[N+](=O)[O-],FP
-Cc1cc2-c3ccccc3Cc2cc1C,FP
-O=Nc1ccc2-c3c(Cc2c1)cccc3,FN
-Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,TP
-Nc1ccc(cc1)Oc1ccc(cc1)N,TP
-OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,FN
-Cc1ccc(cc1)[C@H]1OC1,TP
-N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,TP
-c1cc[n+]2c(-c3cccc[n+]3CC2)c1,FP
-OC(=O)c1cccnc1,TN
-Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,TP
-OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,TP
-NC(C(=O)O)CS/C=C/Cl,FN
-Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,TP
-O=c1[nH][nH]c(=O)c2c1cccc2,TN
-[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,TP
-CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,TP
-Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,TP
-C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,TP
-c1ccc2c(c1)Sc1c(N2)cccc1,TN
-c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,TP
-CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,FN
-c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,TP
-Brc1ccc(cc1)[N+](=O)[O-],TP
-ClCCCl,NA
-ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,TP
-CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,TP
-COc1cc2c(cc1OC)nc1c(c2O)cccc1,TP
-O=C/C(=C(/C(=O)O)\Cl)/C,TP
-OCCN1CCNCC1,TN
-Cc1cc2ccccc2c2c1cc1ccccc1c2,TP
-O=CC1C=COC=C1,NA
-CN(C=O)N,NA
-NC(=O)c1ccc(cc1)[N+](=O)[O-],TP
-CCCC(=O)O,TN
-OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,FN
-Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
-Nc1ccc2c(c1)c1ccccc1n2C,TP
-NC(=O)N=NC(=O)N,FN
-CC([N+](=O)[O-])(Cl)Cl,TP
-O=C1OCC1(C)C,TP
-OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,TN
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,TP
-NCCNCCNCCNCCN,TP
-Oc1ncc2c3c1ccc1c3c(cc2)ccc1,FP
-COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,TP
-ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,TP
-O=C1NS(=O)(=O)c2c1cccc2,TN
-C[C@H]1CCOS(=O)(=O)O1,TP
-Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
-CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,TN
-CC(=O)OC12CCC3[C@@](C1)(CC2=C)CCC1[C@@]3(C)CCC[C@@]1(C)C(=O)O,TN
-CN(c1ccc(cc1)N=Nc1ccc2c(c1)cccc2)C,TP
-COO,NA
-N[C@H](C(=O)O)CSCc1ccccc1,TN
-SC(=N/C=C/N=C(S)S)S,NA
-OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCC(N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,TP
-Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,TP
-CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,TP
-CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,FP
-OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,FP
-CC1CCCC2(C1(O)CCCC2)C,TN
-Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,TP
-Cc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
-Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,FP
-COC(C(Cl)Cl)(F)F,NA
-[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,TP
-O=CC(=O)O,NA
-Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,TP
-CC(=O)CCOOCCC(=O)C,TN
-c1ccc(cc1)C(c1ccccc1)c1ccccc1,TN
-OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,FN
-O=NN(Cc1ccc(cc1)C(=O)O)C,FP
+C[C@@H]1CC[C@H](CC1)C(C)C,TN
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,TP
+c1ccc(cc1)CNc1ncnc2c1[nH]cn2,TN
+COP(=S)(SCC(=O)NCC=O)OC,TN
+O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,TN
+COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,TN
+[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,TP
+OCC1OC(C(C1O)O)n1ccc(nc1=O)N,TN
+Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],TP
+COc1cc(ccc1OC)C[C@H]1CO1,TP
+Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TN
+CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,TN
+COc1ccc(cc1)Nc1ccc(cc1)OC,TN
+Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,TP
NC(C(=O)O)CCCCNCC(C(=O)O)N,TN
-O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,TP
-Clc1cccc2c1cccc2,TP
-CNNCc1ccc(cc1)C(=O)NC(C)C,TN
-CCN1CCNC(=O)C1=O,NA
-[O-][N+](=O)c1cccc2c1cccc2,TP
-OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],TP
-[O-][N+](=O)c1cccc2c1c1ccccc1o2,TP
-Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,TN
-[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],FP
-Oc1ccc(c2c1cccc2)O,TP
-COP(=O)(OC=C(Cl)Cl)OC,FN
-CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,TN
-c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,TP
-c1ccc2c(n1)C1OC1C1C2O1,TN
-CCCOC(=O)c1ccc(cc1)O,TN
-O=C1C=CC(=NC(=O)C)C=C1,TN
-FCC(F)(F)F,NA
-O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,FN
-Nc1cc(Cl)cc(c1)Cl,TN
-O1CCOCCOc2c(OCCOCC1)cccc2,TN
-COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,TN
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,FP
-COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,FP
-O=C1C=CC2=[N+](C(/C(=N/c3ccccc3)/C2=C1)(c1ccccc1)c1ccccc1)[O-],NA
-OC1OC(=O)C=C1CCl,TP
-CC(c1ccccc1)CCN=N#N,TP
-CCOc1ccc(cc1)N(C(=O)C)O,FN
-OC(=O)C(c1ccc(cc1)Oc1nccs1)C,TN
-CCC(=O)O,TN
-CCOC(=O)c1ccc(cc1)N(C=O)O,TN
-CCN=C=S,FP
-c1ccc2c(n1)c1[nH]ccc1cc2,FP
-OO[C@@H]1CCCc2c1cccc2,FN
-BrCC(=C)Br,NA
-O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,TN
-[O-][N+](=O)c1ccccc1C(=O)O,TP
-Cc1ccc(c(c1)O)O,TN
-CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,TN
-Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,TN
-Nc1cccc(c1)Cl,FP
-CC/C=C/C=C/C=C/C=C/C=C/OCC(O)C,TP
-C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,TP
-COc1ccc(c2c1C(=O)c1ccccc1C2=O)N,TP
-Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],TP
-COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,TP
-C[Si](N=N#N)(C)C,NA
-CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,TP
-c1ccc(cc1)P(c1ccccc1)c1ccccc1,NA
-ONC(=O)c1ccc2c(c1)cccc2,TP
-N#Cc1ccc2c(c1)nc([nH]2)N,FN
-CC12OOC1Oc1c2cccc1,TP
-Oc1ccc(c(c1Cl)Cl)Cl,TN
-Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,TP
-Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],FP
-CCCCN(/C(=N/O)/C=O)N=O,TP
-CNc1ccc(cc1)[N+](=O)[O-],TP
-C(C[C@@H]1OC1)CC[C@@H]1OC1,FN
-O=CCC(C)C,TN
-OC1C(O)C2OC2c2c1ccc1c2c2ccccc2c2c1cccc2,TP
-CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
-CC(O)C,TN
-CCl,NA
-O=C1NCC(=O)N1,TN
-Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,TP
-COC[C@H]1CO1,TP
-COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],TN
-NN(c1ccc(cc1)C)c1ccc(cc1)C,TP
-Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,TP
-OC(=O)CCl,NA
-ClCC(CCl)Br,TP
-CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,TN
-O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,FN
-c1ccc2-c3c4c(-c2c1)c1ccccc1cc4ccc3,TP
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,TP
-CC(=N)S,NA
-COc1nsc2c1ccc(c2)N,TP
-[O-][N+](=O)c1ccccc1O,TN
-Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,TP
-Nc1ccc(cc1)/C=C/c1ccccc1,TP
-O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,TP
-OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],TP
-CCCCCCC1OC1,TN
-c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,TP
-NNC(=O)N,FP
-CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,TP
-Nn1nnc2-c(c1O)nc1c2cccc1,TP
-N#N=NCC(C(C(C(CO)O)O)O)O,TP
-NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],TP
-c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,FP
-N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,TP
-COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,TP
-Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,TP
-O=c1ccc2c(o1)cccc2,FN
-Clc1nncc2c1cccn2,FP
-CCN(C(=O)N(C)C)N=O,TP
-O=NN1CCCCCCCCCCCC1,TP
-Nc1cc([N+](=O)[O-])c(c(c1C)C)N,TP
-O=NN(Cc1ccc(cc1)C)C,FP
-O=Nc1cc(ccc1C)[N+](=O)[O-],TP
-Cc1cccc(c1N)C,TP
-Cc1cccc(c1N)C,FP
-[O-][N+](=O)c1ccc(c(c1)C)N,TP
-Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,TN
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,TP
-NNc1ccccc1,TP
-O=C1c2ccccc2CCc2c1cccc2,FP
-CC(N)(C)C,NA
-O=C1C=CC(=O)O1,FP
-c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,TP
-Cc1cccc2c1nccc2,TP
-CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,TN
-O1CC1Oc1ccccc1,FN
-Oc1ccc(c(c1)C(C)(C)C)O,TN
-COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,FP
-CC/C=C/C=C/C=C/C=C/OCC(CO)O,TP
-O=Nc1cccc(c1)c1ccccc1,TP
-ClCCC(=O)N(c1snc2c1cccc2)CC,FN
-OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,TP
-CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,FP
-S(Cc1ccccc1)SCc1ccccc1,FN
-Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,TP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,TP
-OCCNC(=O)N(CCCl)N=O,TP
-[CH2-][N+](=O)[O-],TN
-Nc1cc(N)c(cc1N=Nc1ccccc1)C,TP
-Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,TN
-CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,TN
-CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,TP
-O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,TP
-OC(=O)C1CC=C(C=C1)OP1(Oc2ccc(cc2)C(=O)O)NP(Oc2ccc(cc2)C(=O)O)(Oc2ccc(cc2)C(=O)O)NP(N1)(Oc1ccc(cc1)C(=O)O)Oc1ccc(cc1)C(=O)O,TN
-CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,TN
-Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
-IC(I)I,NA
-ClCBr,NA
-O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,TN
-CCCCC(=O)Nc1snc2c1cc(Cl)cc2,TN
-C=CC(=O)OCCCCCOC(=O)C=C,TN
-CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,TN
-Cc1ccc(cc1NCC)O,FN
-Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,TP
-c1ccc2c(c1)[nH]cc2,FP
-COc1ccc(cc1)OC,TN
-O=NN1CCC[C@@H]1c1cccnc1,TP
-CCCCCCCCO,TN
-[O-][N+](=O)c1cccc(c1Cl)Cl,FP
-O=C/C=C/C=O,TP
-Nc1ccccc1N,TP
-Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,TP
-[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,FP
-O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,TN
-[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,TP
-CC1CS1,NA
-[O-][N+](=O)c1scc(c1)C(=O)N,TP
-c1ccc2c(n1)c1ncccc1cc2,FP
-c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,TP
-C/C=C/C,TN
-O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,TP
-c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,TP
-CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,FP
-OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,TN
-[O-][N+](=O)c1cc2c(Cl)nsc2cc1,TP
-[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,TP
-O=C1c2ccccc2Cc2c1cccc2,TP
-Nc1ccc(c(c1)N)Cl,TP
-Fc1ccccn1,TP
-Oc1c2ccccc2cc2c1ccc(c2O)O,TP
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,FP
-COC(=O)C(=C)C#N,FN
-O=Nc1ccc(cc1)Oc1ccccc1,TP
-[O-][N+](=O)c1ccccc1,FP
-O=C=S,NA
-NC(C(=O)O)CSC(C(Br)Cl)(F)F,FN
-C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,TN
-CC(c1ccccc1)N(C)C,TN
-[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,NA
-[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],TP
+C=CC(=O)OC[C@H]1CO1,FN
+COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,FP
+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O,FN
+Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,TN
+BrC=C,NA
+[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,TP
+O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,TP
+CCCCCCOC(=O)C(=C)C,TN
+CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],TN
+c1ccc2c(c1)c(OCC1CO1)ccc2,TP
+BrCC(C)(C)C,FP
+Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,TP
+CC(=O)N(c1ccc(c(c1)Cl)Cl)O,TN
+COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,TP
+CS(=O)(=O)Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
+Clc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+CCCCN(CCCO)N=O,TP
+[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,TP
+OC(=O)C1OC(Nc2nc3c(n2C)ccc2c3nc(C)cn2)C(C(C1O)O)O,FP
+Nc1cccc(c1C)N,TP
+O=NN(C(=N)N[N+](=O)[O-])C,TP
+OC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,TP
+c1ccc2c(c1)[nH]nn2,FN
+Oc1ccc2c(c1)c1c(cc2)c(C)cc2c1nc([nH]2)C,TP
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,FN
+Fc1ccc2c(c1)sc(n2)C(=O)C,TP
+Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,TP
+CN=C=S,NA
+Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,TP
+OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,FN
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,TP
+[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,FP
+BrCc1cccc(c1)[N+](=O)[O-],TN
CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,TP
-[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,TP
-CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,TN
-NNc1scc(n1)c1ccc(cc1)N,TP
+OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,TN
+[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],TP
+ON1C(=O)CCC1=O,NA
+CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,TN
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],TP
+Fc1ccc2c(c1F)cccn2,TP
+O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,TP
+CCCCOC[C@H]1CO1,FN
+CCCCCC[N+](=O)[O-],TN
+CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,TN
+NC(C(S)(C)C)C(=O)O,FN
+OC1COC(C(C1O)O)Nc1ccc(cc1)C(=O)O,FP
+Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,TN
+CC(=O)/C=C\c1ccccc1,FN
+COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@@H]1O)O)O,TN
+OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,TP
+OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,TP
+O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,TP
+COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],FN
+Cc1ccc(c(c1)N)[N+](=O)[O-],FP
+CCCCNc1snc2c1cccc2,TN
+O=c1ccc(c[nH]1)C(F)(F)F,FN
+Nc1ccc(c(c1)Cl)c1ccc(cc1Cl)N,TP
+[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,TP
+OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,TN
+O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],TP
+OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,TN
+[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],TP
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,TP
+CN(CCCNc1c2ccccc2nc2c1cccc2[N+](=O)[O-])C,TP
+Clc1ccc2c(c1)cccc2,FP
+CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,TN
+CSCNc1ccccc1C(=O)C,FP
+CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,TN
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O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,FN
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-[O-][N+](=O)c1cccc2c1oc1c2cccc1,TP
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-[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,TN
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-N[C@@H](C(=O)O)Cc1ccc(cc1)F,TN
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NC(C(=O)O)CSC(C(Br)Br)(F)F,FN
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-[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,TP
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+Oc1cccc2c1c(O)c1c(c2)cccc1O,FP
+CCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCC,TP
+COc1ccc2c3c1cccc3OC(=C2)[N+](=O)[O-],TP
+O=C/C=C\c1ccccc1OC,FN
+CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
+Cc1cc(O)nc(n1)S,TN
+c1ccc(cc1)Oc1ccccc1,TN
+O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,TP
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,TN
+CC(=O)Nc1snc2c1cc(Cl)cc2Cl,FP
+CC(=O)Nc1ccccc1,FP
+CC(=O)NNc1ccccc1,TP
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],TP
+C[n+]1cccc(c1)OC(=O)N(C)C.Br,TN
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+Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,TN
+Cn1sc(cc1=O)Cl.Cn1sccc1=O,TP
+OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],TP
+Br[C@H](CBr)COC(=O)C=C,FN
+Nc1nc2c([nH]1)cccc2,FP
+OC[C@]12[C@@H](C=C(C(=O)[C@@H]1O)C)O[C@@H]1[C@]3([C@@]2(C)C[C@@H]1O)CO3,TN
+[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
+O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,TP
+CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,TP
+CCN(c1cccc(c1)O)CC,TP
+CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],TP
+CC1CCCC2(C1(O)CCCC2)C,TN
+Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,TP
+COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,FN
+[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,TN
+O=C1C=C(C)C(=O)c2c1cccc2,TP
+ClCC1=C(Cl)C(=O)OC1O,TP
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,TN
+Cc1ccc2c(c1)ccc1c2ccc2c1cccc2,TP
+COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,TN
+ONc1ccc(cc1)Oc1ccccc1,TP
+Clc1cc(Cl)c(c(c1)Cl)O,TN
+ClCCCC(=O)N(c1snc2c1cccc2)C,TN
+CCNc1nc(N)nc(n1)Cl,TN
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,TP
+COc1cc(ccc1O)C(=O)C,TN
+S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,FP
+ClC[C@@H](CBr)Cl,TP
+CC1CCC2CC1C2(C)C,TN
+ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl.Cl.Cl.O,TP
+Nc1ccc(cc1)Sc1ccccc1,TP
+CN(CCNC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)C,TP
+CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,FP
+[O-][N+](=O)CCl,TP
+CN,NA
+O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,TP
+O=C1c2ccccc2C(=O)c2c1cccc2,TP
+Oc1ccc2c(c1)nc([nH]2)N,FN
+Nc1cccc2c1cccc2,TP
+CCC(=O)C(=O)C,FP
+OC1C=Cc2c(C1O)ccc1c2cccc1,TP
+O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,TN
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,TP
+OC(=O)C1CSC(N1C(=O)CCSSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O)c1ccccc1O,TN
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,TP
+ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1C=C2)(Cl)Cl)Cl,TN
+CC1(CO1)C1CO1,TP
+O=C/C(=C/c1ccccc1)/Br,FN
+COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,FN
+C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,TN
+CN(C1CCCCC1)C,TN
+CC(=O)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1,FP
+O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,TN
+CCC(OS(=O)(=O)C)C,TP
+C=CCc1ccc(c(c1)OC)O,TN
+COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,FN
+COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,TN
+O=Cc1ccc(o1)[N+](=O)[O-],TP
+N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,TN
+Nc1ccc(cc1)[N+](=O)[O-],TP
+[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,TP
+O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],FP
+Clc1cccc2c1cccn2,TP
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,TP
+Nc1cccc2c1nc1c(N)cccc1n2,FP
+N#CCc1ccccc1[N+](=O)[O-],TP
+[O-][N+](=O)CCC,TN
+CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,TP
+BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
+Cl[C@@H](c1ccccc1)C(=O)Cl,TP
+OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,TN
+ClC(=O)c1ccc(cc1)[N+](=O)[O-],TP
+CCN(C(=N)N[N+](=O)[O-])N=O,TP
+O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,TN
+OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],TP
+[O-][N+](=O)c1ccc(c(c1)O)N,TP
+OCCCCCCCCCCCCCCCCCC(=O)O,TN
+C[n+]1c2ccccc2c(c2c1cccc2)N.Cl,TP
+COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,TN
+Nc1ccc(cc1)c1ccc(cc1)N,TP
+COc1nncc2c1cccc2,TN
+ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,TN
+CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,TP
+COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,FP
+NCCNC(=O)c1ccc(cn1)Cl,TN
+Clc1ccc(cc1)Cn1c2ccc(cc2c(c1C)/C=N/OCc1ccc(cc1Cl)Cl)[N+](=O)[O-],FP
+CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,FP
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,TP
+CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
+COc1c(C(=O)O)c(O)nc2c1cccc2,FP
+CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,TN
+O=C([C@@H]1OC1)NCc1ccccc1,TP
+CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,TN
+Fc1ccc2c(c1)sc(n2)C(O)C,FP
+COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,TN
+Nc1ccc2-c3c(Cc2c1)cc(cc3)N,TP
+COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,TN
+O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,FN
+O(Cc1cccc2c1cccc2)C[C@H]1CO1,TP
+Cc1cc(C)c2c(c1N)nsn2,TP
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,TP
+O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,FP
+C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,TP
+CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,TP
+O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,TP
+CC(O)C,TN
+Cc1cc(ccc1/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TP
+O=C1C=CC(=NC(=O)C)C=C1,TN
+OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,FP
+C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,FP
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,TP
+Cc1cc(C)c2c(c1)ccc1c2cccc1,TP
+OC(=O)C(Cn1cncc1)N,FN
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O,TN
+OC[C@H]1O[C@@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O,FN
+CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
+ClCC[N+](C)(C)C.[Cl-],FP
+O=NN1CCN(CC1)N=O,TP
+COc1cccc(c1)N,TP
+Nc1ccc2c(c1)cc1c(c2)cccc1,TP
+O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,TN
+CCCCCCCCCCCCCCCCCC(=O)O.[Li+],TN
+ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,TP
+OC(=O)CC[C@@H](C(=O)O)N.[K+],TN
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,FP
+O=CC1=CCCC2(C1(C=O)C2)C,TP
+OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,TN
+COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,TP
+CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,TP
+Oc1ccc(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,TP
+CCc1cccc(c1NC(=O)C)CC,FP
+C[C@]12CC[C@H](CC1)C(O2)(C)C,TN
+C=Cc1ccccc1C=C,TN
+[O-][N+](=O)NC(=NC)NCc1cnc(s1)Cl,TN
+c1ccc(cc1)/N=N/c1ccccc1,TP
+OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,TN
+O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],TP
+Cc1cccc(c1)O,TN
+CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,TN
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,TN
+OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,FP
+COc1ccc(c(c1)OC)N.Cl,TP
+ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
+Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,TN
+OC[C@H]1O[C@H]([C@@H]([C@H]1O)O)n1cnc2c1ncnc2NC[C@@H](COc1cccc2c1cccc2)O,TN
+Nc1ccnc2c1cccc2,FP
+Nc1ccc(c(c1)Cl)C,TP
+CN(c1ccc(cc1)N(C)C)C,FN
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@@H]3C[C@@H]3[C@@H]2[C@H](C)[C@@H]2[N@@]3C[C@H](CC2)C)C)C1)C,TN
+CCCCCC/C=C\CCCCCCOC(=O)C,TN
+OC[C@@H](CBr)Br,TP
+CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,FN
Clc1ccc(c(c1)Cl)O,TN
-C[C@@H]1CN(N=O)[C@H](CN1N=O)C,TP
-Clc1ccc(cc1)C(=O)Cl,FP
-O=C(c1ccccc1O)OCc1ccccc1,TN
-OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,FP
-ClC(=O)CCc1ccccc1,FN
-Nc1ccc2c(c1)nc1c(c2N)cccc1,TP
-NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,TN
-CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,TP
-FC(C(F)(F)F)C(F)(F)F,NA
-ClCC(CBr)(Br)C,TN
-Nc1ccc(cc1)N=Nc1ccc(cc1)N,TP
-O=C(Nc1ccccc1)CC(=O)C,TN
-c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,TP
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,TP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],TP
-Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
-ClC/C=C/CCl,TP
-ONc1ccc2-c3c(Cc2c1)cccc3,TP
-Cc1ccccc1Br,TN
-OCCN=N#N,TP
-Nc1ccc(cc1)N,TP
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,FP
-[O-][N+](=O)c1cc(ccc1O)c1ccccc1,FP
-O=NN(Cc1ccc(cc1)[N+](=O)[O-])C,TP
-O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,TP
+NNc1ccccc1.Cl,TP
+COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,TP
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
+Clc1ccc(cc1)CO[C@@H](c1ccc(cc1Cl)Cl)Cn1cncc1.[O-][N+](=O)O,TN
+Fc1cnc2c(c1)c1ncccc1cc2,TP
+CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,TN
+CNC(=O)Oc1ccccc1OC(C)C,FN
+Cc1ccc(c(c1)[N+](=O)[O-])/N=N/c1c(O)ccc2c1cccc2,TP
+N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
+CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,TP
+Fc1ccc2-c3c([C@H](c2c1)C)cccc3,TP
+CCCCCC(/C=C/C=O)O,TN
+Nc1ccc(cc1)O,FP
+CN(CCNC(=O)c1cccc2c1sc1ccccc1c2=O)C,TP
+Nc1c2ccccc2nc2c1cccc2.Cl.O,TP
+Cc1ccc(c2c1cccc2)C,FP
+Clc1ccc(cc1)C(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(cc1)Cl,TP
+CC1=CC(O)C2CC1C2(C)C,TN
+C1CCC(CC1)NC1CCCCC1,TN
+[N-]=[N+]=CC(=O)NCC(=O)NN,TP
+ON1C(C)(C)C[C@@H](C1(C)C)C(=O)N,TN
+Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],TP
+ClCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCl,TN
+OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,FN
+OC[C@H](CNC(=O)c1c(I)c(N(C(=O)C)C[C@H](CN(c2c(I)c(C(=O)NC[C@@H](CO)O)c(c(c2I)C(=O)NC[C@@H](CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NC[C@@H](CO)O)I)O,TN
+OCCCN=N,FN
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+CN([C@H]1C(=O)C(=C([C@]2([C@H]1[C@H](O)[C@H]1C(=C2O)C(=O)c2c([C@]1(C)O)cccc2O)O)O)C(=O)N)C,TN
+CC(=O)c1ccc[nH]1,FN
+CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,TN
+OCCOC(=O)C=C,TN
+CCCCN(CCC(=O)OC)N=O,TP
+CC/C=C\C#N,TN
+ClCCSCc1ccccc1,FN
+Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,TP
+O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],TP
+Oc1cnc2c(c1)cccc2,FP
+OC(=O)CCCCCCCCC(=O)O,TN
+CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,TP
+NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,FP
+c1ccc(cc1)c1ccccc1OC[C@H]1CO1,TP
+Brc1cccc(c1)c1ccccc1,TN
+C1CCC2(CO1)CO2,FN
+O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,TP
+CSc1ccc(cc1)Cl,TN
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],TP
+S=P(N1CC1)(N1CC1)N1CC1,NA
+COC(=O)Nc1nc2c([nH]1)ccc(c2)O,TN
+N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,TP
+Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,TP
Clc1c(O)cccc1Cl,TN
-[O-][N+](=O)c1ccccc1C(=O)Cl,TP
-CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,TN
-Nc1sc2c(n1)c(Cl)ccc2,TN
-CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,FN
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,TP
-CCn1c(N)nc2c1ccc1c2ncc(n1)C,TP
-[O-][N+](=O)NC(=N)N(N=O)CCCCCC,TP
-Nc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-CC(C(C)(C)C)OP(=O)(Cl)C,NA
-O=C1C=CC(=O)C(=C1)C(C)(C)C,FN
-CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,TP
-Cc1cccc2c1-c1ccccc1C2C,TP
-O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,FN
-OCCN(CCO)C,TN
-C/C=C\C=C/C(=O)O,TN
-C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,TP
-Sc1nc2c([nH]1)cccc2,FP
+Cc1cccc(c1)C,TN
+C=CC(=O)OCCCCCOC(=O)C=C,TN
+CC(N1C(=O)c2ccccc2NS1(=O)=O)C,TN
+CC(CNc1snc2c1cccc2)C,TN
+C[C@H](CNC[C@H](O)C)O,TN
+O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,TP
+O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,TN
+O=c1ccc2c(o1)cccc2,FN
+O=NN1C[C@H](C)C(=O)NC1=O,TP
+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,TP
+Ic1ccc2c(c1)c(N)c1c(n2)cccc1,TP
+OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,TN
+Cc1ccc(c(c1)O)C(C)C,TN
+OC(=O)[C@]1(C)CCC[C@@]2([C@H]1CC[C@@]13[C@@H]2CC[C@](C3)(C(=C)C1)O)C,TN
+CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,TN
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+CCCN(CCCCO)N=O,TP
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+OC(=O)c1ccco1,TN
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+C[C@]1(OC1)c1ccccc1,TP
+O=NN(C(=O)N)C,TP
+ON(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C,TP
+Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,TN
+Clc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
+[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],TP
+O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,TP
+O=C1c2ccccc2-c2c3c1cccc3ccc2,FN
+COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,TN
+C=CCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,TP
+N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
+OC(=O)/C=C/C(=O)CC(=O)C,TN
+NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,TN
+CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,TP
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,TP
+CCCCC(COC(=O)c1ccc(cc1)N(N=O)C)CC,TN
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1,TP
+Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,TP
+N#Cc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+OC1C(O)C(OC(C1O)C(=O)O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TN
+O=C([C@@H]1OC1)Nc1ccccc1,TP
+COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,TP
+OC[C@H]1CCCO1,TN
+Cc1ccc(cc1NCC)O,FN
+Oc1nc(Cl)nc(n1)Cl,NA
+CCN(c1ccc(cc1)N)CC,FN
+Nc1ncnc2c1ncn2C,TP
+BrCCSC[C@@H](C(=O)OC)NC(=O)C,TP
+COC1OC1(C)C,TP
+Cc1cccc2-c3c([C@H](c12)C)cccc3,TP
+Nc1cccc(c1)O,TP
+Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,TN
+[O-][N+](=O)c1cc2ccccc2c2c1cccc2,TP
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,TN
+Cc1ccccc1C,TN
+O=NN(Cc1ccccc1)C,TP
+CCN,TN
+CCCCCc1cc(O)cc(c1)O,TN
+C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,TN
+O=C1Nc2ccc(cc2C(=N[C@@H]1O)c1ccccc1)Cl,TN
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,TP
+OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,FP
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CC[C@@H](c1c(=O)o2)O)C=CO3,TP
+Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@H]1C[C@H]([C@@H]2O)O)C,TN
+Nc1nc2c(n1C)cc1c(n2)nccc1,FP
+CNc1ccc2c(c1C)nc(cn2)c1ccccc1,TP
+O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,TN
+Cc1cccc(c1)C(=O)O,TN
+O=C(c1ccccc1)c1ccccc1,FP
+c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,FN
+CN(CCNC(=O)c1ccc2c(c1)c(N)c1c(n2)cccc1)C,FP
+OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,TP
+O=NN(C(=O)Oc1cccc2c1cccc2)C,TP
+NN(Cc1ccccc1)Cc1ccccc1,TN
+OC(=O)C([C@](C([C@@](C([C@@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,TN
+COC(=O)[C@@]12O[C@@]2(C)[C@@H](OC1=O)C(C)C,TP
+COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],FP
+Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+Oc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2,FN
+Cc1cccc2c1nn[nH]2,TN
+O[C@@H]1COC(=C(C1=O)O)C,TP
+COc1cc(OC)c(cc1C1OC1C)OC,TP
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl,TP
+CC[C@H]([N+](=O)[O-])[C@H](O)C,TN
+Oc1cccc(c1)Nc1ccccc1,TN
+Clc1cccc2c1cccc2,TP
+C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,TN
+CC(=C)c1ccccc1,TN
+OC(=O)CCC(=O)CC(=O)C,TN
+CCCC(=O)Nc1snc2c1cccc2,TN
+O=NN(C(C(=O)C)OC(=O)C)C,TP
+NCCCNCCCCN(N(N=O)O)CCCN,FN
+CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,TP
+OC(CO)CN=N#N,TP
+c1ccc2c(c1)Sc1c(N2)cccc1,TN
+COC(=O)[C@@]1(O[C@@]1(C)[C@@H](C(C)C)O)C(=O)N,TP
+CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC,FN
+O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,TP
+Nc1cc(N)c(c(c1)[N+](=O)[O-])c1ccccc1,TP
+OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,TN
+OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,TN
+CCn1c2ccc(cc2c2c1cccc2)N.Cl,TP
+Nc1nccs1,TP
+Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,TP
+OC(=S)c1ccccc1,TN
+CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,TN
+Cc1cc(C)c(cc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O,TN
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])N,TP
+CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,TN
+COc1c(OC)ccc2c1cc1N(C)CCc3c1c2c1OCOc1c3,FN
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)C[C@](C2)(O)C(=O)C,TP
+Oc1ccc(cc1)C(=O)/C=C/c1ccccc1,TN
Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,FP
-[O-][n+]1cccc2c1C1OC1C=C2,TN
-ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,TN
-OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,TP
-OC(=O)CCN[N+](C)(C)C,TN
-[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,TP
-BrCCC(Br)Br,TP
-CC1=CC(=O)C(=CC1=O)C,TN
-O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,FN
-BrCCOC(=O)CC(C(=O)OCCBr)O,TP
-CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,TP
-CCSC(=O)Cl,NA
-CCN(c1ccccc1)CC,TN
-O=C1c2ccccc2C(=O)C1(O)O,TN
-CCCCN(C(=O)N)N=O,TP
-CN1CCC(=CC1)c1ccccc1,TN
-ClCCN(c1ccc2c(c1)oc(c2)[N+](=O)[O-])CCCl,TP
-Cc1ccc(c(c1)C)/N=C/N=C/N(c1ccc(cc1C)C)C,FP
-COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,TP
-COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],FP
-OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],TP
-O=NN(CC(=O)C)COC(=O)C,TP
-COc1ccc(cc1)/C(=C\C(=O)O)/Br,FN
-ClC[C@H](O[C@@H](CCl)C)C,TP
-Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,TN
+Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,FP
+COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,FP
+Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TP
+ClCC=CCCl,TP
+CC(OS(=O)(=O)C)C,TP
+Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
+NC(=O)c1cccc(c1)[N+](=O)[O-],TP
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cc1ccc(cc1)S(=O)(=O)O,FN
+OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,FN
+ONc1ccc(cc1)Cl,TN
+Cc1ncc[nH]1,TN
+Nc1cc([N+](=O)[O-])c(cc1Cl)N,TP
+O=NN(COC(=O)C)C,TP
+Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],TN
+Clc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,TN
+C1CCC=CC1,TN
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,TN
+C[C@@H](c1ccccc1)N(C)C,TN
+CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@@H]2C=C(C2=CC(=O)[C@H]3[C@@H]([C@]12C)C3)Cl)C(=O)C,TN
+O=CNc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],TP
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,TP
+OCCCc1ccccc1,TN
+N#CC(=Cc1ccccc1Cl)C#N,FN
+Cc1cccc2c1c1cc3ccccc3cc1cc2,TP
+OCC(C(=O)O)N,TN
+BrC(C1=C(Cl)C(=O)OC1)Br,TP
+C[N+]1(C)CCOCC1.Cl,TN
+c1cc[n+]2c(-c3cccc[n+]3CC2)c1,FP
+CCC(=O)O.[Na+],TN
+COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,TN
+OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],TP
+CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,FN
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2N3)c1,TP
+OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,TN
+ClCCN(C(=O)NC1CCC(CC1)C)N=O,TP
+C=CC(=O)OCC(C)(C)C,TN
+CCCC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,TP
+OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,TN
+O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,TN
+Cc1cnc2c(n1)c1nc(n(c1c(c2)C)C)N,TP
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,TN
+CN[C@H](Cc1ccccc1)C,TN
+OC(=O)c1ncc(cc1Cl)C(F)(F)F,TN
+[O-][N+](=O)c1cncn1C,TP
+OC(=O)C(CSC(=C(Cl)Cl)Cl)N,TP
+OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,TN
+CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,TN
+O=S1(=O)CCCO1,TP
+Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,TN
+CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,TN
+Nc1ccc2c(c1)oc1c2cccc1,FN
+O=NN(C(=O)N)CCCC(=O)O,TP
+[O-][N+](=O)NC,NA
+[O-][N+](=O)c1ccc2c(c1)nc[nH]2,TP
+OCOC(C)(C)C,TN
+COc1cc(OC)c2c(c1)OC1C2C=CO1,TP
COC(=O)c1ccc(cc1)C,TN
-CC(=O)OCc1ccco1,TP
-CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,TN
-CNS(=O)(=O)c1ccc(cc1)N,FP
-Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,TP
-CCc1ccccc1N,FP
-C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,TP
-C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,TP
-[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,TP
-C=CC(=C)CCC=C(C)C,TN
-Cc1cc(cc(c1)C)[N+](=O)[O-],TP
-Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,TP
-CCCOC(=O)c1cc(O)c(c(c1)O)O,TN
-ClCCN(c1ccc2c(c1)cccc2)CCCl,TP
-OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,FN
-O=C=Nc1ccc(c(c1)N=C=O)C,TP
-ClC(=C)C#N,NA
-COc1ccc2c(c1)[nH]c1c2CCN=C1C,TN
-COc1cccc(c1)/C=C/c1ccc(cc1)N,TP
-OCCN(N=O)CC,TP
-Clc1ccc2c(c1)nc(n2C)N,FN
-OC(=O)c1cccc(c1C)[N+](=O)[O-],TP
+O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,FN
+OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,TN
+CCCCC(=O)Nc1snc2c1cc(Cl)cc2,TN
+Nc1[nH]cc2-c(n1)ncn2,FP
+O1CCOCCOCCOCCOCC1,TN
+C/C(=C/COC(=O)C)/CCC=C(C)C,TN
+ONc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,TP
+O=C(C(Br)(C)C)NCc1ccccc1,FP
+O=C(Nc1ccc(cc1)C)CC(=O)C,TN
+CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,FN
+CCOCn1cc(F)c(=O)n(c1=O)C(=O)c1cccc(c1)C(=O)Oc1nc(ccc1C#N)OC(=O)c1ccccc1,NA
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,FP
+CCOCCOCC,FN
+ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,TN
+CCC(=O)C=C,TP
+ClCc1ccc(cc1)Cl,TN
+[O-][N+](=C1CCCC1)[O-],NA
+[O-][N+](=O)c1ccc2c(c1)cccc2C,TP
+CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,TN
+OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,FP
+c1ccc(cc1)c1ccc(cc1)c1ccccc1,FP
+[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,FN
ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
-OCC1OC(CC1O)n1cnc2c1nc(O)nc2N,TN
-Oc1ncnc2c1cccc2,FP
-O=CC(=C(Cl)Cl)C(Cl)Cl,TP
-CC(=O)OCc1ccc2c(c1)OCO2,TN
-ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,TP
-OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,TP
-Nc1ccc2c(c1)cns2,TP
-[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,TP
-Sc1nc2c(s1)cccc2,TN
-N#CCC[C@](C#N)(CBr)Br,TN
-COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],TP
-COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,TP
-COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,FP
-CCOc1ccc(cc1)[N+](=O)[O-],TP
-NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@H](C(=O)O)CCc1ccccc1,TN
-Clc1cc(N)c(cc1c1cc(Cl)c(cc1Cl)N)Cl,TP
-ClCCN(C(=O)NC1CCCCC1)N=O,TP
-Cc1ccccc1N=Nc1ccc(cc1)N(C)C,FP
-[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],TP
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-O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O,FP
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-CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,TN
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-O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],TP
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-CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,TN
-CCCN(CCC)CCC,TN
-O=C1NC(=O)C(=C(Cl)Cl)C1,TP
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-[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1CCCCc1c1c3c(cc2)ccc1,TP
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+Clc1cccc(c1NC1=NCCN1)Cl,TN
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[O-][N+](=O)c1oc(c(c1Cl)Cl)C(=O)C,TP
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-[O-][N+](=O)c1cncn1C,TP
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-OC(=O)Cc1ccc(cc1)Cl,TN
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-[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,TP
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-[O-][N+](=O)c1cc2ccccc2cc1C,FP
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-OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,TN
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-OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,TN
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-CNC(=O)N(C(=O)NC)O,TN
-BrCC#N,NA
-[O-][N+](=O)c1ccc(s1)c1nc(N2CCOCC2)c2c(n1)cccc2,TP
-C/C=N\O,FN
-Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-O(CC1OC1)CCOCC1OC1,TP
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-[O-][N+](=O)c1ccc(cc1)Nc1ccccc1,FP
-O=C1C=Cc2c(C1=O)ccc1c2ccc2c1cccc2,FP
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-N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,TP
-CCOP(=S)(Oc1cnc2c(n1)cccc2)OCC,TN
-CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,TN
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-[O-][N+](=O)c1ccc(cc1)/C=C/c1cccc(c1)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc(o1)/C=C/c1ccc(cc1)C(=O)O,TP
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-O=C/C(=C\c1ccccc1)/C,FP
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-COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,FP
-OC(=O)/C(=C(/C(=O)O)\C)/Cl,FP
-Clc1ccc(c(c1)C)O,TN
-CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCCC2)C)C,TN
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-C1C/C=C/CCC2C(CC/C=C\1)O2,TN
-[O-][n+]1cnc2c(c1N)[nH]cn2,TP
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-COc1ccc2c(c1)c1cc(OC)ccc1c1c2c2ccc(cc2c2c1ccc(c2)OC)OC,TP
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+O[C@H](C(=O)c1ccccc1)c1ccccc1,TN
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Clc1ccc(c(c1)Cl)N,FN
-CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,TN
-CC(=C)C#N,TN
-CN,NA
-NCCc1c[nH]c2c1cccc2,TN
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-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)cccc1,TP
-BrC/C=C\CBr,NA
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-[O-][N+](=O)c1c(C)cc(c2c1nsn2)C,TP
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-[O-][N+](=O)c1ccccc1/C=C/c1ccccn1,TP
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-[O-][N+](=O)c1ccc(c(c1)Cl)N,TP
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+NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,TN
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Clc1cnc2c(c1)cccc2,FP
-COP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OC,FN
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-[O-][N+](=O)OCCN([N+](=O)[O-])C,TP
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-O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],TP
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-Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,TN
-ClCc1c2ccccc2c(c2c1cccc2)C,TP
-OC(=O)[C@]1(C)CCC[C@@]2(C1CC[C@]13C2CC[C@@](C3)(C(=O)C1)C)C,TN
-c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,TP
-CC(=O)Nc1cccc(c1C)N=[N+](c1cccc(c1C)NC(=O)C)[O-],FP
-Cc1ccc(cc1)/C=C/c1ccc(cc1)N,TP
-[O-][N+](=O)c1ccc(c(c1)C)[N+](=O)[O-],TP
-Clc1ccc(cc1)S(=O)(=O)c1cc(Cl)c(cc1Cl)Cl,TN
-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)ccc(c1)[N+](=O)[O-],TP
-ClC#N,NA
-c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,FP
-ClCSP(=S)(OCC(C)C)OCC(C)C,TN
-[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,TP
-CN(P(=O)(N(C)C)N(C)C)C,NA
-OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],TP
-Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,TP
-CC(=O)/C=C/c1ccco1,TN
-CNC(=S)N(C)C,NA
-Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,TN
-OC1C=Cc2c(C1O)ccc1c2nc2cc(C)ccc2c1C,TP
-O=C(c1ccccc1C(=O)OC1CCCCC1)OC1CCCCC1,TN
-O=C(C1OC1c1ccccc1)c1ccc(cc1)c1ccccc1,TN
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,TP
-OCC1OC(C(C1O)O)n1cnc2c1nc(O)nc2N,TN
-Cc1ccc2c(c1)nccc2,TP
-OC(=O)Cc1ccc(cc1)[N+](=O)[O-],FN
-OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,TN
-CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,TP
-O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,FN
-O=NN(C1OCC(C(C1O)O)O)c1ccc(cc1)C(=O)O,TP
-CCOP(=O)(Oc1cc(C)ccc1[N+](=O)[O-])NC(CC)C,FP
-NCCc1cc(O)c(cc1O)O,FN
-OC(=O)COc1ccccc1,TN
-CC(=O)OCC=C,FN
-[O-][N+](=O)c1ccccc1Br,TP
-CCSC(=O)N1CCCCCC1,TN
-COC(=C1C(=NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C)C)O,TN
-OCC1OC(CC1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],TP
-ClCc1ccc(cc1)C#N,TN
-ClCCOP(OCCCl)OCCCl,TP
-CN(c1ccc(cc1)C(=O)c1ccc(cc1)N(C)C)C,TP
-Oc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
-Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,FP
-CCS(=O)CCSP(=O)(OC)OC,FN
-COP(=S)(SCC(=O)N(C=O)C)OC,TN
-Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,TN
-[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,TP
-OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],TP
-COP(=S)(Oc1ccc(c(c1)C)N)OC,TP
-[O-][N+](=O)[CH-]C,TN
+O=C1NC(=O)C(=C(Cl)Cl)C1,TP
+CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,TN
+OCCN(C(C)(C)C)CCO,TN
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,TN
+CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,TN
+CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,FP
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,TN
+N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,TN
+Nc1cc(N)c(cc1N=Nc1cccnc1)C,TP
+OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,FP
O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],TP
-COc1ccc(cc1)C=O,TN
-c1cc2ccc3c4c2c(n1)ccc4ccc3,TP
-Cl/C=C(/c1cc(Cl)c(cc1Cl)Cl)\OP(=O)(OC)OC,TN
-Cc1cnc2c(c1)cccc2,TP
-COc1cc(N=Nc2ccccc2)ccc1N,TP
-[O-][N+](=O)c1c(C)ccc2c1cccc2,TP
-OCC([N+](=O)[O-])(CO)Br,TN
-OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],TP
-CCc1ccccc1O,TN
-OCC(=O)Nc1c(CC)cccc1CC,FN
-c1ccc2c(c1)c(OCC1CO1)ns2,TP
-CSCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCN=C(N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CO)CO,TN
-C1CCO1,FN
-CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,TP
-ClCC(=C)Cl,NA
-COCC1CN(C)C2C(=C1)c1cccc3c1c(C2)cn3C,TP
-CN(CC[C@@H](N(C)C)C)C,TN
-O=C(Nc1cc(Cl)cc(c1)Cl)CCC(=O)O,TN
-CN(/C=N/c1ccc(cc1C)Cl)C,TN
-O=Nc1cccc(c1C)[N+](=O)[O-],FP
-[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,TP
+ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,TN
+OS(=O)(=O)c1ccc2c(c1)c(/N=N/c1ccc(c(c1)C(=O)O)O)ccc2/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,FN
+OC/C=C(\CCC=C(C)C)/C,TN
+CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,FN
+CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,TN
+Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,TP
+OC(=O)c1cc(Cl)cc(c1)Cl,TN
+CCCCCN(CCCCC)CCCCC,TN
+NNCCO,FN
+Cc1ccc(cc1)Cl,TN
+COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(CC2)C,TP
+ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,TP
+Nc1ccc2c(c1)scn2,TP
+O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,FN
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,TN
+OC(=O)[C@@H](CCl)Cl,TN
+BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,TP
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,FN
+c1ccc2c(c1)[nH]cc2,FP
+CCOC(=O)N,TP
+CC(=O)N,FP
COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CCC(=O)C(O1)C)O)C(=O)c1c(C3=O)cccc1O,TP
-Nc1[nH]nc(n1)N,TN
-Nc1ccc2c(c1)nc1c(c2)cccc1,TP
-CCn1cc(C(=O)O)c(=O)c2c1cc1OCOc1c2,TP
-Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,FP
-CCCCCCCCCC,TN
-CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,TP
+ClCC(=O)c1ccccc1,TN
+CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,TN
+Sc1ncnc2c1[nH]cn2.O,TP
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,TN
+CNC(=O)ONC(=O)NC,FN
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,TN
+N#CC(N=NC(C#N)(C)C)(C)C,NA
+Clc1cccc(c1O)Cl,TN
+OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,TP
+ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,TP
+Fc1cccc2c1ccc1c2nccc1,TP
+Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N,TN
NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,TP
-O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,FN
-BrC1C(Cl)C(Br)C(C(C1Br)Br)Br,NA
-NCCNCCNCCNCCNCCN,TP
-O=C1CCCCCO1,TN
-Oc1cccc(c1)Cl,TN
-Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,TP
-O=Nc1cc2OCOc2cc1O,FN
-NC(=S)Nc1ccccc1,TN
-NCc1cccc(c1)CN,TN
-NCc1ccc(cc1)CN,TN
-CCCCC/C(=C/c1ccccc1)/C=O,TN
-OCCN(CC(=O)O)N=O,TP
-Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,TP
-CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C,TN
-OCCNC(=O)CSc1nc(Cl)cc(n1)Nc1c(C)cccc1C,NA
-C=CCc1ccc(c(c1)O)O,FN
-ClCC(=O)OC(C)C,TN
-Clc1ccc2c(c1)nc([nH]2)C,FN
-Oc1ccccc1,TN
-CC[C@H]([N+](=O)[O-])[C@H](O)C,TN
-OCC(CBr)(CBr)CO,TP
-Nc1nc2c(s1)cc(cc2)[N+](=O)[O-],TP
-CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-],TP
-NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,NA
-[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],TP
-[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,TP
-OCc1ccc(cc1)C#N,TN
-CCc1ccc(nc1)C,TN
-[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,TP
-[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],TP
-COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,TN
-[O-][N+](=O)/C=C/c1ccccc1,TP
-CC(=C)[C@@H]1CC=C(C(=O)C1)C,TN
-CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/CC)/c1ccc(cc1)OP(=O)(O)O,TN
-OCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,TP
-Fc1cnc2c(c1)ccc1c2cccc1,FP
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,TP
-CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,TP
-ClCC(CCl)O,TP
-NC1CCN(C1)c1nc2n(cc(c(=O)c2cc1F)C(=O)O)c1ccc(cc1F)F,TP
-CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,TN
-CCCC(=O)Cl,TP
-COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,NA
-CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,TN
-Nc1nnc(s1)S,NA
-[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,FP
-Nc1c(C)n(n(c1=O)c1ccccc1)C,FP
-OC(C(Cl)(Cl)Cl)O,NA
-COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,TN
-O=NN(CC(=O)C)CC(=O)C,TP
-[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-ClCC(=O)Nc1snc2c1cc(Cl)cc2,TP
-Cn1ccnc1S,NA
-OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],TP
-OCC#CCO,NA
-OC(=O)CCc1ccccc1,TN
-O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,FP
-CN(N=O)CC,TP
-CC(COC(=O)CCCCC(=O)OCC(C)C)C,TN
-Oc1nc(O)nc(c1)C(=O)O,TN
-C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,TP
-COc1nsc2c1cc(OCC1CO1)cc2,TP
-CCN=[N+](CC)[O-],TN
-CCCC(=O)Nc1snc2c1cc(Cl)cc2,TN
-Clc1cccc(c1)C(F)(F)F,TN
-Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,FP
-ClC(=O)c1cccc(c1)[N+](=O)[O-],TP
-C=CCc1cc(OC)c2c(c1)OCO2,TN
-Nc1ccccc1SCSc1ccccc1N,TP
-O=NN(c1ccccn1)C,FN
-Nc1ccc2c(-c3ccccc3C2)c1,TP
-NCCCNCCCCN(N(N=O)O)CCCN,FN
-[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,TP
-ClC=C(C)C,NA
-CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,TP
-CCOCOCC,TN
-OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,TN
-C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,TN
-c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,TN
-CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,TN
-CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,TP
-OCCN(C(C)(C)C)CCO,TN
-BrCC1=C(Br)C(=O)OC1O,TP
-COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
-CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,TN
-CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,TP
-CCC1(C(=O)NCNC1=O)c1ccccc1,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,TP
-OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,NA
-O=NN1CCC[C@@H](C1)C,TP
-CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,TN
-CCOC(C)(C)C,TN
-OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,TP
-ClC(=O)Cc1ccccc1,FN
-CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,TN
-BrCC(=O)c1ccccc1,TN
-Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],TP
-ONc1ccccc1C,TP
-COc1cc(/C=C/C(=O)O)ccc1O,TN
-O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,NA
-Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,TP
-O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,TP
-C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,TN
-CCC(C)(C)C,TN
-c1ccc2c(c1)c1ccc3c(c1cc2)ccc1c3cccc1,TP
-[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],TP
-OC[C@H](CN(C[C@H](O)C)N=O)O,TP
-CC(COC(=O)c1ccccc1N)C,TN
-COc1cccc(c1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
-CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,TN
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TP
-OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,TP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],TP
-COC(=O)C(Cc1ccc(cc1)Cl)N,TN
-c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,TP
-OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,FP
-Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)c(n2)C,TP
-COc1ccc2c(c1)ccc(c2)CCC(=O)C,FP
-CC(COS(=O)(=O)C)C,TP
-[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,TP
-CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,TP
-Cc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-CN([N+](=O)[O-])C,TP
-Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,FN
-OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,TP
-CCCCN(CC(OCc1ccccc1)CO)N=O,TP
-Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,TP
-OC1=C(O)C(=O)C1=O,TN
-ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,FN
-CC(=[N+]([O-])[O-])C,NA
-Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,TP
-ONc1cc[n+](c2c1cccc2)[O-],TP
-CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,TP
-[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],TP
-CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,TN
-[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,TP
-OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,TN
-ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,TP
-N#Cc1c(Cl)cccc1Cl,TN
-[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,TP
-O=NN1CCC[C@@H](C1)Cl,TP
-Cn1c(N)nc2c1cc1ccccc1c2,TP
-CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,TP
-CC(OC(=O)CC(=O)OC(C)C)C,TN
-Oc1ncnc(c1)O,TN
-Cc1ccccc1N=Nc1ccc(c(c1N)C)N,TP
-NS(=O)(=O)c1cccc2c1nccc2,FP
-OCc1ccc(cc1)C(F)(F)F,TN
-Clc1cc(Cl)c(c(c1)Cl)Cl,TN
-Sc1[nH]cnc2-c1ncn2,TP
-OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2C,TP
-Ic1cccc(c1)[N+](=O)[O-],TN
-COC(=O)c1ccc(cc1)C(=O)OC,TN
-NNc1nncc2c1cccn2,TP
-O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,TN
-NNc1ccccc1[N+](=O)[O-],TP
-Cc1c(N)cccc1Cl,FP
-CCCC(=O)C,TN
-OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,TP
-CC(=C)C1CCC2(C(C1)O2)C,TN
-O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,TP
-[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,TP
-C/C=C/c1ccc2c(c1)OCO2,TN
-c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,TP
-CC1=CC[C@H]2C[C@@H]1C2(C)C,TN
-OC1C=Cc2c(C1O)c1cccnc1cc2,TN
-Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,TN
-O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,TN
-CN1CCN=N1,TP
-COCCCN,TN
-Clc1ccc2c(n1)cccc2,FP
-OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,TP
-CCCC(=O)Nc1snc2c1cccc2,TN
-CC1=CC[C@H](CC1)C(=C)C,TN
-O=C(C(=O)c1ccccc1)c1ccccc1,TN
-Nc1cccc2-c3c4c(-c12)cccc4ccc3,TP
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,TP
-OC(=O)COc1ccc2c(c1)cccc2,FP
-C=COC(=O)C=C,TN
+OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,TN
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,TN
+C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,TN
+Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,TP
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+Oc1cc(Cl)c(c(c1)Cl)Cl,TN
+[O-][N+](=O)c1nc2c([nH]1)cccc2,TP
+OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
+OCC(N[C@@H]1C[C@](O)(CO)[C@@H]([C@H]([C@@H]1O)O)O)CO,FP
+[O-][N+](=O)c1ccc(o1)C(=O)OC,TP
+OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,FP
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+Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,TN
+Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,TN
+OCCN(CCO)CCO,TN
+COc1cccc2c1C(=O)c1c(C2=O)cccc1,TP
+CCOc1snc(n1)C(Cl)(Cl)Cl,NA
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+NC(=O)CBr,TN
+CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],TP
+CC(=O)OC(=O)C,TN
+[O-][N+](=O)c1nccn1C,TP
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+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,TN
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+CC(C1CCC2(CC1)OC2)(C)C,TN
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+CCCCOC(=O)C,TN
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+Clc1ccc2c(c1)nsc2N,FN
C1CCc2c(C1)cccc2,TN
-C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,FN
-CCCCCCCCCCCCCN1CC(C)OC(C1)C,TN
-Nc1ccc2c(c1)nccc2,TP
-[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,TP
-c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,TP
-BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
-CCCBr,FP
-O=C1NCCN1c1ncc(s1)[N+](=O)[O-],TP
-Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,TN
-CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,TN
-NCCO,TN
-CCCCCCCCCCCCCCCCN,TN
-ONc1ccccc1c1ccccc1,TP
-COc1cc2nc3cc(N)ccc3nc2cc1N,TP
-Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,TP
-ONc1ncnc2c1ncn2Cc1ccccc1,TP
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-O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
-OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,FP
-COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,TP
-CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,TN
-Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,TP
-OC1C2OC2c2c(C1O)ccc1c2nccc1,TP
-OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,TP
-C1CN1c1nc(nc(n1)N1CC1)N1CC1,NA
-O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],TP
-CCCCCCC(=O)O,TN
-[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],TP
-OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,FP
-OC1c2ccccc2Oc2c1cccc2,FN
-CCN(c1ccc(c(c1)O)N=O)CC,TN
-COc1nsc2c1cccc2[N+](=O)[O-],TP
-CN1CCC=C2C1CCc1c2nc(s1)N,NA
-C[C@]1(N)CC[C@H](CC1)C(N)(C)C,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,TP
-CC(CCCCCCCOC(=O)C(=C)C)C,TN
-CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,TN
-[O-][N+](=O)c1ccc(c(c1)N)O,TP
-CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,TP
-NC=O,NA
-CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,TP
-OC(=O)C1(N)CCCC1,FP
-c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,TP
-O=c1c2cccc3c2c2c1cccc2cc3,TP
-[O-][N+](=O)c1ccc2c(c1)NCC2,TP
-COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
-C1CCCO1,TN
-C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,TN
-OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,TN
-BrCC(=O)c1ccc(cc1)Br,TN
-CCCC(=O)Nc1snc2c1cc(C)cc2,TN
-OCCCCCCC/C=C/C=C/C,TN
-BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,TN
-OC(=O)/C=C/C(=O)CC(=O)C,TN
-CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,FP
-C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,FN
-Clc1ccccc1Cl,TN
-O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,TN
-ClCC(=O)Nc1snc2c1cccc2,FN
-ClCCN(C)C,TP
-N#CCC#N,NA
-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,TP
-ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,TP
-OCCOCCO,TN
-CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,TN
-Fc1ccccc1,TP
-CC12CCC(C2(C)C)CC1(C)O,TN
-Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,FP
-C=CC(=O)OCCOCCOC(=O)C=C,TN
-OCCCc1ccccc1,TN
-OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,TN
+Oc1ccc(cc1)OP1(Oc2ccc(cc2)O)NP(Oc2ccc(cc2)O)(Oc2ccc(cc2)O)NP(N1)(Oc1ccc(cc1)O)Oc1ccc(cc1)O,TN
+O=C1C[C@H]2C([C@]1(C)CC2)(C)C,TN
+CCCCCCCC/C=C\CCCCCCCCN,FN
+COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2,FP
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+CCC([N+](=O)[O-])CC,TN
+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,TN
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+N#Cc1ccc(cc1)C(=O)O,TN
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+COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,TP
+[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,TN
+OC(=O)CC(=O)O,NA
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+CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,FN
+N[C@H](C(=O)O)CS/C=C/Cl,FP
+Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,NA
+Clc1c(Cl)ccc(c1Cl)Cl,TN
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+c1ccc2c(c1)occ2,FP
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+CCOC(=O)N(CCOC(=O)C)N=O,TP
+C1[N@@]2C[N@@]3C[N@]1C[N@](C2)C3,NA
+O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,TN
+COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,TP
+S1CCSCC1,NA
+O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,TN
+COC(=O)/C(=C/c1ccc(o1)Br)/C#N,TN
+CC(=O)C(=C)C,FP
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+BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,TN
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+Fc1c(F)c(F)c(c(c1F)Cl)F,TN
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+OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],TP
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,TP
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+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,TP
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,TN
+O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
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+COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,TN
+O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,TN
+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,TN
+CCP(=O)(OCC)OCC,NA
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,TN
+CC/C(=C(\c1ccc(cc1)OC(=O)CC)/CC)/c1ccc(cc1)OC(=O)CC,TN
+CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,TN
+Fc1cccc2c1ccc1c2cccn1,TP
+CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,TN
+OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,FP
+CC(=O)N(c1snc2c1cccc2)C,TN
+OC1CCCCC1,TN
+CCCCCCCCCCCCCCCCCC(=O)N,TN
+NCCNc1cccc2c1cccc2,TP
+CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,FP
+[N-]=[N+]=CC(=O)NCC(=O)N,TP
+COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,TN
+Oc1ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O,TN
+N#Cc1c(Cl)cccc1Cl,TN
+O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,TN
+Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,FP
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+O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,TN
+CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cccc2)C,TP
+O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O.[Na+].[Na+],TN
+CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,TN
+CCC/N=N/O.[K+],TP
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ClCCNCCCNc1c2ccccc2nc2c1cccc2,TP
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-O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,NA
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-[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,TP
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Cc1cccc(c1)[N+](=O)[O-],FP
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-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],TP
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-O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,TP
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-CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,FN
-[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],TP
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-c1cnc2c(c1)CCC1C2O1,TN
-CCOP(=S)(OCC(C)C)SCCl,TN
-OC(=O)CNCP(=O)(O)O,TN
-C(C1OC1)Cc1ccccc1,TP
-OC(=O)c1ccc(cc1)C,TN
-NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,TP
-ClCCC(CBr)Br,FP
-OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,FP
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-O/N=C/C1N(CCN(C)C)C=CN1C,TN
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-CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,TN
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-CCCCOCCO,TN
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COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,TN
-COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,TN
-CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,TP
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,TP
-COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],FP
-Nc1ccccc1c1ccccc1,TP
-CCc1ccc(cc1)C,TN
-Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],TP
-Fc1ccc2c(c1)c1ncccc1cc2,TP
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-[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
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-O=C(Nc1ccccc1)Nc1ccccc1,TN
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-CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,TN
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-[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],TP
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-Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,TN
-CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,TP
-[O-][n+]1ncc2c(c1)cccc2,TN
-CCC(C(=O)NC(=O)N)(CC)Br,TN
-CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,TP
-CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,FN
-OCCCN(N=O)CC,TP
-Nc1ccn(c(=O)n1)CC(CN=N#N)O,TP
-C=Cc1ccc(cc1)C,TN
-O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,FP
-[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,TP
-Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,TP
-Cc1ccc2-c3c([C@H](c2c1)C)cccc3,TP
-Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,TP
-COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,FP
-[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,TP
-O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],TP
-OCCCBr,FN
-CCCOC(=O)C(=C)C,TN
-Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,FP
-CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,TN
-[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],TP
-CCC(c1ccc(cc1)O)(C)C,TN
-ClC(=C(Cl)Cl)Cl,NA
-OC(=O)C(Cn1cncc1)N,FN
-CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,TN
-c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,TP
-Cc1c2ccccc2cc2c1cccc2,TP
-CCCCOC(=O)CCCCCCCCC(=O)OCCCC,TN
-O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,TN
-C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,TP
-CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,TN
-[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,TP
-CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,TN
-CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,TP
-ClC(=O)c1ccccc1C(=O)Cl,TP
-CCc1cccc2c1nccc2,TP
-O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,FN
-O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,TN
-Nc1ccc(c(c1)Cl)C,TP
-[O-][N+](=O)c1ccc2c3c1cccc3CC2,TP
-Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,TP
-CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],TP
-COc1c2cccc(c2nc2c1cco2)O,TP
-OC1C=CC=CC1O,TP
-Oc1ccc(cc1)C(c1ccccc1)(C)C,TN
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,TP
-Ic1cc(Cl)c2c(c1O)nccc2,FP
-Fc1cccc(n1)F,FP
-Oc1ccc2c(c1)[nH]c1c2ccnc1C,TP
-Oc1ccc(c(c1)C)Cl,TN
-CCCCN(CC(=O)CC)N=O,TP
+ClC(=O)c1c(Cl)cccc1Cl,FN
+ONc1cc2c([nH]1)cccc2,TP
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,TN
+COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,TP
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,TN
+Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,TP
+COC(=O)c1ccccc1S(=O)(=O)N,TN
+O1C[C@@H]1Cc1ccccc1,TP
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,TN
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,TP
+ClCCC(=O)N(c1snc2c1cccc2)C,FN
+[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,TP
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,TN
+NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,TP
+N1CCc2c(C1)cccc2,TN
+OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
+Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,FN
+Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,TP
+O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,TN
+Nc1ccc2c(c1)nc1c(c2N)cccc1,TP
+COc1ccc(cc1)C(C=C)O,FP
Oc1ccc(cc1)c1ccc(cc1)O,FP
-c1ccc(cc1)c1ccccc1OCC1CO1,TP
-COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,NA
-COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,NA
-OCc1ccc(cc1)Br,TN
-OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,TN
-ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,TP
-Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,TP
-Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,TP
-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],TP
-O=Nc1ccc(cc1)Sc1ccccc1,TP
-c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,TP
-OCC(CO)(CO)CO,TN
-CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,TN
-CC(CC(O)C)C,TN
-Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,TP
-Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,TP
-COc1cc2c(cc1OC)nc1c(c2OC)cco1,TP
-CCCOO,TP
-COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,FP
-OCCCCN(N=O)C,TP
-CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,TP
-[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,TP
-Cc1ccc(c(c1)O)C(C)C,TN
-CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,FP
-CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,TP
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,TP
-NNc1nncc2c1cccc2,TP
-ClCCOC(=O)C=C,FN
-Cc1nccnc1C,TN
-CNc1ccccc1N,TP
-[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,TP
-BrCCOC(=O)C(CC(=O)OCCBr)(CC(=O)OCCBr)O,TP
-ClCCN[P@]1(=O)OCCCN1CCCl,TP
-CCOC(=O)CNC(=O)CBr,FP
-Cc1c(C)cccc1O,TN
-CC[C@@H](CN)O,FP
-Clc1ccc(cc1)CC1OC1,TP
-COC(=O)CC(=O)C,TN
-CCN1CCN=N1,TP
-N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,TP
-c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,TP
-OC(=O)CCCOc1ccc(cc1Cl)Cl,TN
-CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCCC(CCCC(C)C)C,TN
-CC(=O)CCC1C2C1(C)CC1C(C2)C(=C)C(=O)O1,TN
-CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,TN
-CC([N+](=O)[O-])(Cl)C,TP
-O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],TP
-CCCCC/C=C/C(=O)CCc1ccc(c(c1)OC)O,FN
-Nc1ccc(cc1)S(=O)(=O)N,FP
-Nc1ccccn1,FP
-CCc1cccc(c1N)C,FN
-OC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,TP
-ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,TP
-CCN(c1ccccc1)N=O,FP
-O=Cc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,TP
-ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,TP
-NC(=N)c1ccc(cc1)c1cc2c([nH]1)cc(cc2)C(=N)N,FP
-Oc1ccc(cc1Sc1cc(Cl)ccc1O)Cl,TN
-CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,TP
-CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,FP
-CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,TP
-CC(=O)OC1(CCC2C1(C)CCC1C2C2CC2(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,TN
-OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,TP
-OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
-COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,TP
-CC(CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C)C,TN
-Nc1ccc2c(c1)scn2,TP
-CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,TP
-OCc1cccc2-c3c4c(-c12)cccc4ccc3,FP
-O=NN(C(=O)N)CCCC(=O)O,TP
-c1ccc2c(c1)snc2,FP
-O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,TP
-CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,TN
-Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TP
-CCCCN(CC(=O)C)N=O,TP
-NCC(=O)O,TN
-CCCCCCCCCCCC(=O)C,TN
-OC1C(O)C=Cc2c1ccc1c2cc2c(c1)c1C=CC(C(c1cc2)O)O,FP
-COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,FP
-Nc1nc2c(n1C)c(C)cc1c2nccn1,TP
-O=C1CC(=NN1c1ccccc1)C,NA
-CN1CCN(CC1)c1c(F)c(C(=O)O)c2c3c1OC[C@H](n3ccc2=O)C,FN
-C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,TN
-O=C1CCc2c1c1ccc3c(c1cc2)cccc3,FN
-CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,TP
-Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,FN
-C1CCC=CC1,TN
-O=C(C1(C)OC1)NCc1ccccc1,TP
-Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,TP
-O=C(Nc1ccc(cc1)C)CC(=O)C,TN
-COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,NA
-C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,TN
-C=CCOC(=O)C=C,TN
-ClC(=O)c1ccccc1F,TP
-C=CCn1c(=O)n(CC=C)c(=O)n(c1=O)CC=C,NA
-Nc1ccc2c(n1)no[n+]2[O-],TP
-Fc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],FP
-Cc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,FP
-CCC[C@](COC(=O)N)(COC(=O)NC(C)C)C,NA
-CC(Nc1cccc2c1C(=O)c1ccccc1C2=O)C,TP
-O=CN(C)C,NA
-S=C=Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],FP
-Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],TP
-COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)NOC(=O)C,FP
-CCN(N=O)C=O,TP
-ClN(S(=O)(=O)c1ccc(cc1)C(=O)O)Cl,FN
-O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,FP
-O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,TN
-CC(=C)c1ccccc1,TN
-OC(=O)Cn1c(C)ncc1[N+](=O)[O-],TP
-CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,FP
-CCCCOC(=O)C(=C)C,TN
-COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,FP
-O=C1C=CC(=O)C(=C1)C,TN
-ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,TP
-C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,TN
-OC1CC2C(C1(C)CC2)(C)C,TN
-Cc1cc2c(NC(=O)CCl)snc2cc1,TP
-ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,TN
-COc1cc2OC3(C(c2c2c1c1CCC(=O)c1c(=O)o2)(C)C1C(O3)O1)C,FP
-CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,TN
-O=C1c2ccccc2-c2c3c1cccc3c(cc2)Oc1ccc(cc1)S(=O)(=O)O,TP
-COc1c(OC)c2occc2c2c1ccc(=O)o2,TN
-OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,TN
-N#C[Se]Cc1ccccc1,NA
-C=COc1ccc(cc1)[N+](=O)[O-],TP
-CCC(=O)N(c1ccc2c(c1)cccc2)O,TP
-COC=O,NA
-Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,TP
-[O-][N+](=O)c1ccc2c(c1)cns2,TP
-CCOC(=O)[C@@H](O)C,TN
-COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,TP
-NC(=O)NCC=C,FN
-CCCCCCCCCc1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1,TN
-ClC(c1ccccc1)Cl,FN
-c1ccc2c(c1)c(CCC1CO1)ccc2,TP
-O=NN1CCC(=O)CC1,TP
-Cc1ccnc2c1cccc2,FN
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,TP
-NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,TN
-CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,TN
-C[N+]1(C)CCOCC1,TN
-CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,TP
-OCC=O,FP
-O[C@@H]1[C@H]2O[C@H]2c2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4ccc3,TP
-OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,TP
-[O-][N+](=O)c1cc(C)c2c(c1)cccc2,TP
-O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,FP
-O=c1c2ccc(c3c2c2c(c1=O)cccc2cc3)[N+](=O)[O-],TP
-O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,TN
-CC(C(=O)O)Cl,TN
-CC(=C)C(=O)OCC(C)(C)C,TN
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,TP
-COc1nc2cc(cc(c2nc1OC)CBr)[N+](=O)[O-],TP
-C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C,FN
-CC1(OC1)c1ccc(cc1)Cl,TP
-C/C=C(/C(=C/C)/c1ccc(cc1)O)\c1ccc(cc1)O,TN
+COCN(c1c(CC)cccc1CC)C(=O)CO,TN
+OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,TP
+Cc1ccc2c(c1)nc(n2C)N,TP
+CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,TN
+[O-][N+](=O)[CH-]CCC,TN
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,TP
+C[C@@H]1CNC[C@H](O1)C,FN
+Cc1cnccn1,TN
+OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,TN
+O=c1ccc2c(o1)cc1c(c2)cco1,FP
+OC(=O)Cc1ccc(cc1)Cl,TN
+Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],TP
+Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,TN
+C=CC(=O)OC(C)(C)C,TN
+Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,TP
+CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,TN
+O1CC1,FN
+n1ccc(cc1)c1ccncc1,FN
+Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
+Cc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,TP
+CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,TN
+Nc1ccc(cc1C)S(=O)(=O)O,TN
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,TP
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+O1CCOCCOCCOCCOCCOCCOCC1,TN
+ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,TP
+CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,TP
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+O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,TN
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O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
-CCCC[C@H](CNC[C@@H](CCCC)CC)CC,TN
-CCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1,TN
-CC(=O)C1=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C,TN
-[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,TP
-CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO,TN
-CC(Cc1nccs1)C,NA
-[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,TP
-BrCC(=O)Nc1ccccc1,FP
-Nc1[nH]cc2-c(n1)ncn2,FP
-OC(COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OCC(COC(=O)C(=C)C)O)(C)C,TN
-COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
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+CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,FN
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+COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,TN
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+Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,TP
+CCCCCCCCBr,FP
+ClCCOC/C(=C\Cl)/Cl,TP
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+O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,TN
+CC[C@H]1CO1,TP
+Cc1cccc2c1nccc2,TP
+CCCCCCCCCCCCc1ccccc1,TN
+Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,TN
OCC(=O)N(c1ccc(cc1)Cl)O,TN
-O=C/C=C/c1ccc(o1)[N+](=O)[O-],TP
-NC(C(=O)O)CSCCCl,TP
-Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TP
-OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,FN
-CCOCC=O,TN
-Br/C=C/Br,NA
-Brc1cccc(c1)c1ccccc1,TN
-c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2C=C1,TP
-[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,FP
-O=C/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],TP
-ClC/C=C\Cl,TP
-S=c1ssc(c1C)c1cnccn1,NA
-N#N=Nc1nc2c(n1C)c1cccnc1cc2,TP
-COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,NA
-[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
-CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,TN
-CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,TN
-OC(=O)CC(C(=O)O)N,TN
-BrCCCBr,FP
-CC(=O)C=C,TP
-O=C1CC=C(O1)C,NA
-NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc(c(c1)N)C,TP
-OCC(C(=O)O)N,TN
-OCC(=O)O,TN
-COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,FP
-C1CCOCO1,FN
-Cc1ncc(nc1)C,TN
-Clc1cc2ccccc2c2c1cccc2,TP
-c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,TP
-C/C=C/c1ccc(cc1)OC,TN
-[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,TP
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,FP
-CN(c1nc2c(n1C)ccc1c2cccn1)C,TP
-CN(CCCN1c2ccccc2CCc2c1cccc2)C,TN
-Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],TP
-c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,TP
-CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,TN
-C=CC(=O)OCCCCCC(C)C,TN
-O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],TP
-Cc1ccc2c(c1)ccc1c2cccc1,TP
-OCc1ccc(cc1N)[N+](=O)[O-],FN
-Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,TN
-COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,TN
-CCC(CC(CC(Cl)C)Cl)Cl,FP
-Brc1cc2cccnc2c(c1)C(=O)O,TN
-[O-][N+](=O)NC(=N)N(N=O)CCCCC,TP
-CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,TP
-OOC1(C)c2ccccc2-c2c1cccc2,TP
-Clc1nc2ccccc2nc1Cl,FP
-OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,TP
-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],TP
-CNc1snc2c1cccc2,TN
-O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,TN
-[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,TP
-CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,FP
-O=NN(c1ncn(c1C(=O)NC)C)C,FP
-COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,TN
-OC(=O)C/C(=C/C(=O)O)/C(=O)O,TN
-OC1C=Cc2c(C1O)nccc2,TN
-OC1C=CC2C(C1O)O2,TP
-O=C1C(=O)C2(C(C1CC2)(C)C)C,NA
-Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
-ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,TP
-ClC(C(=O)C)Cl,FN
-C[C@H](CN(C[C@H](O)C)N=O)O,TP
-O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,FN
-CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],TN
-CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,TP
-OC1OC(=O)C(=C1C)Cl,TP
-c1ccc2c(c1)[nH]c1c2ccnc1,TP
-N[C@@H](C(=O)O)CS,FN
-ClCc1cccc(c1)[N+](=O)[O-],FN
-CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,TP
-O=CCC(c1ccc(cc1)C(C)(C)C)C,TN
-O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TP
-CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,FP
-O=C/C(=C/c1ccccc1)/Br,TP
-COC(=O)CCCCC(=O)OC,TN
-OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TN
-CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,TP
-Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],TP
+CC(=C)C1CO1,TN
Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,TP
-O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,TP
-Cc1cc2ncccc2c2c1n(C)c(n2)N,TP
-Clc1cc(Cl)nc(n1)Cl,TN
-[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,TP
-CCOc1ccccc1[N+](=O)[O-],FN
-c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,TP
-C=C[C@H]1CO1,TP
-S=C(NC1CCCCC1)NC1CCCCC1,FP
-CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,TN
-CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,TP
-Oc1ccc(cc1N)S(=O)(=O)O,TN
-CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,TN
-CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,TN
-ON=C,NA
-Clc1cc(Cl)c2c(c1O)nccc2,FP
-OCCc1c(nc(n2c1ncn2)N)c1ccccc1,TN
-Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,TN
-ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,TN
+O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,TP
+CC(=O)NN,TP
+S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],TP
+[O-][N+](=O)/C=C/c1ccccc1,TP
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,TP
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],TP
+C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,TN
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,FN
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+N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,NA
+COc1cc(C=O)c(cc1OC)OC,TN
+C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,TN
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,TN
+OCc1nc(N)nc(c1)C1CC1,TN
+BrCc1cccc2-c3c4c(-c12)cccc4ccc3,TP
+N[C@@H]1CCC[C@H](C1)N,TN
+N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],NA
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+COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,FN
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,TP
+C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,TN
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,TN
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,TP
+COc1ccccc1N,TP
Nc1ccc2c(n1)c1ccccc1cc2,TP
-ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,TP
-C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,TN
-N#Cc1ccc2c(c1)n(C)c(n2)N,TP
-N#Cc1cc(Br)c(c(c1)Br)O,TN
-CC(N(C(C)C)N)C,NA
-CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,FP
-C=C1CC(=O)O1,NA
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,TP
-CCCC[C@H](COCCCN)CC,TN
-OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],TP
-O=NN(C(=O)c1c(NC)ncn1C)C,TP
-C[Si](O)(C)C,NA
-[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],TP
-COc1cc(ccc1N)c1ccc(c(c1)OC)N,TP
-CCOc1ccc(cc1N)N,TP
-[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],TP
-O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,FN
+CN(CCOC(c1ccccc1)c1ccccc1)C,TN
+OCCOCCOCCO,FN
+Clc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,FP
+CC(=O)C,TN
+CN(C[C@@H](Cl)C)C,TP
+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,TP
+C[n+]1c2ccccc2c(c2c1cccc2)N,TP
+O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,TN
+OC(=O)c1ccccc1C(=O)O,TN
+NN(C(=O)C)C(=O)C,TN
Cn1c(N)nc2c1cc1cnccc1n2,FP
-c1ccc(nc1)c1cccnc1,TP
-CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,NA
-COC(=O)c1ccc(cc1)CN(N=O)C,TN
-O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,TP
-O=C1CCC(N1C)c1cccnc1,TN
-Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,TN
-OC(=O)CCC(=O)O,TN
-Nc1cc(Cl)c(c(c1)Cl)Cl,TN
-CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,TN
-CN1CCN(CC1)C,TN
-O/N=C(/c1cc(O)c(c(c1)O)O)\N,TP
-CNC,NA
-Brc1c(C)c(Br)c(c(c1Br)Br)Br,TN
-[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,TP
-OCCCN=N,FN
-CC=O,NA
-OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,TN
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-[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,TP
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-[O-][n+]1ncc2c(c1)cccn2,TN
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-[O-][n+]1cccc2c1C=CC1C2O1,TN
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[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,TP
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-O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],FP
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-O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,TN
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-Fc1cccc2c1ccc1c2nccc1,TP
-OCC1OC(CC1O)n1cc(O)c(nc1=O)N,TN
-O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],TP
-CC(C(=O)NCc1ccccc1)NCc1ccccc1,FP
-O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,TN
-[O-][N+](=O)c1ccc(c(c1)C)C,TP
-Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,NA
-COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,TN
-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,TP
-O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],TP
-Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,TP
-C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,TP
-OC(=O)C1OC(O/N=C(/c2ccccc2)\N)C(C(C1O)O)O,TN
-CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,NA
-O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
-Clc1ccc(c(c1)C(=O)O)Cl,TN
-CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,TN
-[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,TP
-ClCc1ccc(cc1)OC(=O)C,FN
-Oc1[nH]cnc2-c1cnn2,TN
-Nc1ccccc1O,TP
-O=NN1CCSCC1,TP
-CC1(CO1)C=C,TN
-CNC1Cc2cccc3c2c(C1)ccc3,TP
-Nc1ccc2c(c1)cc1c([n+]2C)cccc1,TP
-Oc1cc2ccccc2c2c1c1ccccc1cc2,FP
-C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,TP
-Nc1ncnc2c1ncn2Cc1ccccc1,TP
-Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,TP
-CC(CON=O)C,TP
-ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,TP
-CCOC(/C=C(\CCC=C(C)C)/C)OCC,TN
-CCCc1ccc2c(c1)OCO2,TN
-OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,TN
-CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,TP
-Nc1ccc(c2c1cccc2)N,TP
-Cl/C=C(/C(Cl)Cl)\Cl,TP
-CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,TN
-ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,TP
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,TN
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,TN
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+CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,TN
+O=NN1CN2CN(C1)CN(C2)N=O,TP
+Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,TP
+COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,FN
+CC(C(O)C)O,TN
+CC(=O)n1cncc1,NA
+CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,TN
+Cc1cc(C)nc(n1)N,TN
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,TP
-Oc1cccc(c1)O,TN
-CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,TP
-Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,FP
-O=Cc1ccc2-c1cc(ccc2C)C(=C)C,TP
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-OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,NA
-OC(=O)c1c(Cl)cccc1Cl,TN
-O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,FP
-CC(=O)Nc1ccc(cc1)C(=O)O,TN
-[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],FP
+CCCCC(CCCC)(CCC)S,TN
+CC([N+](=O)[O-])(Cl)Cl,TP
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+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,TN
+CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,TN
+NCCCCC(C(=O)O)N,FN
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+CN(N=O)C[C@@H](CO)O,TP
+CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,TN
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+C/C=C\c1ccc(c(c1)OC)O,TN
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+O[C@@H]([C@@H](C(=O)O)O)C(=O)O,TN
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+ClCC(=O)OC(C)C,TN
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+[N-]=[N+]=NC[C@@H](CO)O,TP
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+[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],TP
+CCCCCCCCC,TN
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+O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,TP
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+OCP(CO)(CO)CO,NA
+COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,TN
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,TN
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
+CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,TN
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+N#N=NC(c1ccccc1)c1ccccc1,TP
+CCc1cnccn1,TN
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,TN
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+CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,TN
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+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],TP
+OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,TN
+OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,NA
+BrCC(=O)c1ccc(cc1)Br,TN
+CCCCCCN(C(=O)N)N=O,TP
+CCOCC,TN
+CC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C,TN
+CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],FN
+Fc1cccc2c1cccn2,TP
+O=C/C=C/c1ccc(cc1)N(C)C,TN
+ClCC(=O)Nc1snc2c1ccc(c2)Cl,TP
+[O-][N+](=O)c1cc(C)c2c(c1)cccc2,TP
+CCOC(=O)CC(=O)C,TN
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+CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,TN
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+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,TP
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,TN
+O=Cc1ccc(cc1)[N+](=O)[O-],TP
+COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,TN
+C=CC(=C)Cl,NA
+CCCCN(COC(=O)C)N=O,TP
+CCC(=O)N(c1ccc2c(c1)cccc2)O,TP
+N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,TP
+OC(=O)O.N.N,TN
+Oc1cc(Cl)cc(c1)Cl,TN
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,TP
+Oc1nsc2c1cccc2,FP
+C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,TP
[O-][N+](=O)/C=C/c1ccco1,TN
-COC1=CC(=O)C=CC1=O,TN
-O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,TP
-CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,TP
-C/C=C/c1ccc(cc1OC)OC,TN
-BrCC1=C(Cl)C(=O)OC1,TP
-[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,TP
-ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,TP
-N#CC1(O)CCCCC1,NA
-ONC(=O)c1ccc(c(c1)O)O,TP
-CC(CC1NC(=O)CNC1=O)C,TN
-c1ccc(cc1)/C=C/c1ccccc1,FP
-[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,FN
-Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],TP
-Brc1c(O)c(Br)c(c(c1Br)Br)Br,TN
-C[C@H](COC(C)(C)C)O,FN
-O=C1N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)N([C@H](C(=O)O[C@H]([C@@H]1NC(=O)c1c2-c(oc3c(n2)c(ccc3C)C(=O)N[C@H]2[C@@H](C)OC(=O)[C@@H](C(C)C)N(C)C(=O)CN(C(=O)[C@H]3N(C(=O)[C@@H](NC2=O)C(C)C)CCC3)C)c(c(=O)c1N)C)C)C(C)C)C,NA
-O=NN1CCCCCCC1,TP
-Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,TN
-O=C1NC(=O)NC(=O)C1(O)O,FP
-OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,FP
-CC[C@H]([N+](=O)[O-])CO,TN
-ClCCNc1ccc(cc1)CCCC(=O)O,TP
-Cc1ccc(cc1)Cl,TN
-OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,TN
-Fc1cc2cccnc2c2c1cccn2,TP
-Cc1cc(C)c2c(c1N)nsn2,TP
-ONc1cccc(c1)c1ccccc1,FP
-Nc1ccc2c(c1S(=O)(=O)O)cccc2,TP
-OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,TN
-OC(=O)CCCc1c[nH]c2c1cccc2,TN
-C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,TP
-Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],TP
-Clc1cc(Cl)c(c(c1)Cl)O,TN
-Cc1ccco1,TN
-C=CCNCC=C,TN
-[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,FP
-OC1COC(C(C1O)O)Nc1ccc(cc1)C(=O)O,FP
-O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,FP
-CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,TN
-CC(=O)c1ccc[nH]1,FN
-COc1cc(N)c(cc1N)OC,TP
-c1ccc2c(c1)Sc1c(O2)cccc1,FP
+ClCC(=O)CCl,FN
+[O-][N+](=O)c1ccc(c(c1)Cl)N,TP
+Cc1cc2cc3ccccc3cc2c2c1cccc2,TP
+Clc1ccc(c(c1)O)Cl,TN
+Clc1ccc(cc1)[S@](=O)C,TN
+Cc1c2[C@H]3O[C@H]3c3c(-c2c(c2c1cccc2)C)cccc3,TP
+Nc1ccccc1,FP
+O[C@@H]1OC(=O)C=C1CCl,TP
+C[C@H]1CO1,TP
+ONc1cc(ccc1C)[N+](=O)[O-],FP
+O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,TN
+Fc1cccnc1,FP
+Nc1ccc2c(n1)n1ccccc1n2,TP
+OC(=O)c1ccccc1C,TN
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(Br)c(=O)[nH]c1=O,TN
+Oc1cccc2c1c1ccc3c(c1cc2)cccc3,TP
+OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,TN
+OC[C@]1(C)C=C2C(=C(C)C3([C@@](C2=O)(C)O)CC3)[C@H]1O,TP
+O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,TP
+Oc1ncc(cc1N)c1ccncc1,FP
+CCN(c1ccc(cc1)N=O)CC,FN
+Oc1[nH]nc2c1cccc2,FP
+Nc1ccc(cc1)c1[n+](C)c2cc(N)ccc2c2c1cc(N)cc2,TP
+COc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
+C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,TP
+O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],TP
+CCCCCC(=O)O,TN
+O[C@@H](c1ccccc1)C#N,TN
+N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,TN
+Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,TP
+O=C1c2ccc3c(c2-c2c1ccc1c2cccc1)cccc3,TP
+ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,TP
+C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,TP
+Nc1c2ccccc2cc2c1cccc2,TP
+O=NN(CC(=O)C)CC(=O)C,TP
+[O-][N+](=O)c1cccc(c1)C(F)(F)F,TN
+Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,TN
+Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,TP
+Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,TN
+COc1c2ccc(=O)oc2c(c2c1cco2)OC,FP
+FC(C(F)(F)F)(Cl)F,NA
+OC(=O)c1ccccc1O,TN
+O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,NA
+ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,NA
+Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,TN
+N[C@@H]1C[C@H]1c1ccccc1,TN
+Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],TP
+CCCCC=C,TN
+OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,TN
+CCCCN(/C(=N/O)/C=O)N=O,TP
+Nc1ccc(c(c1)[N+](=O)[O-])N,TP
+Fc1ccnc2c1cccc2,TP
+O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,TN
+CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,FP
+O=C1c2ccccc2-c2c1cccc2,FP
+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,TN
+[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,TP
+[O-][N+](=O)c1cnc(s1)NC(=O)NCC,TP
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,TN
+C[C@H](CN1C[C@@H](OC1=O)C)O,NA
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,TP
+COC(=O)c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],TP
+O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],TP
+NNS(=O)(=O)c1ccc(cc1)C,FN
+ONc1nc(N)nc2c1[nH]cn2,TP
+OC[C@H](C(=O)NNCc1ccc(c(c1O)O)O)N.Cl,TP
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl,TP
+O=Nc1ccc2-c3c(Cc2c1)cccc3,TP
+ClCCN(c1ccc(cc1)C[C@@H](C(=O)O)N)CCCl,TP
+CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,TN
+Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,TN
+C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,TP
+CCN(CC)N,TN
+C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,TN
+COC(=O)c1ccccc1CS(=O)(=O)N,TN
+OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,TN
+O=c1ccc2c(o1)cc1c(c2)CC(O1)C(O)(C)C,TP
+Cc1ccc(cc1)CC[C@@H]1OC1,TP
+O=C(Nc1ccc(cc1)O)CC(=O)C,TN
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,TN
+CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,TN
+COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)CCO3,FP
+C[N+](Cc1ccccc1)(C)C,TN
+CNC(=O)N(c1ccccc1)c1ccccc1,TN
+Nc1cccc2c1cc1ccccc1c2,TP
+ONC(=O)Cc1cn(cn1)N=O,NA
+c1ccc2-c3ncsc3CCc2n1,NA
+COC=C,NA
+ClC1=CC(=O)C(C1=O)(Cl)Cl,NA
+CNC(=O)Oc1cc(C)c(c(c1)C)SC,TN
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,TP
+CN([P+](N(C)C)(N(C)C)On1nnc2c1cccc2)C,TN
+CC(CN(C(=N)N[N+](=O)[O-])N=O)C,TP
+[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,TP
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2[N+](=O)[O-])cccc3,TP
+O=CC1=CCC(CC1)C(=C)C,TN
+Clc1cc2N=CNS(=O)(=O)c2cc1S(=O)(=O)N,TN
+CN(c1[nH]cnc2-c1ncn2)C,TP
+Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,TN
+Brc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,TP
-COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,TP
-C=Cc1cccnc1,TN
-O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,TN
-Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,TN
-OCCSN=O,NA
-O=NN1CCNC1=O,TP
-CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,TN
-C/C=C/Cl,TP
-Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,TP
-[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,TP
-c1ccc2c(c1)c1sc3c(c1cc2)cccc3,TP
-[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],FN
-c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,TP
-CC([N+](=O)[O-])C,FN
-OCC(COP(=O)(O)O)O,TN
-O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,NA
-CCN(N=O)CC,TP
-CC(=O)c1ccc(cc1)[N+](=O)[O-],TP
-COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,NA
-COC12OOC2(C)Oc2c1cccc2,TP
-COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,TN
-O=NN(C(=O)N)C[Si](C)(C)C,TP
-BrCC(CBr)Cl,TP
-Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
-CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,TN
-OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,TN
-O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,TP
-CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
-C1COC1=O,FN
-NC(=O)c1ccccc1O,FP
-CC1CCN(CC1)N=O,TP
-C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,TP
-CC(OC[C@@H]1OC1)(C)C,TP
+OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,TP
+CN(CCNC(=O)c1cccc2c1nc(cn2)c1ccccc1)C,TP
+CCNS(=O)(=O)c1ccc(cc1)C,TN
+c1ccc2c(c1)cc(cc2)OCC1CO1,TP
+O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,TN
+OO[C@]12C=C[C@@H]3[C@@H]([C@@]2(C)CC[C@@H](C1)O)CC[C@]1([C@H]3CC[C@H]1[C@@H](CCCC(C)C)C)C,FN
+CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,TN
+CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,TP
+Cc1ccc(cc1)C[C@@H]1OC1,TP
+C[n+]1c2ccccc2cc2c1cccc2.Cl,TP
+Cl[C@@H]1[C@]2(Cl)C3C4C5[C@@]1(Cl)C([C@]2(Cl)C5C3C1C4O1)(Cl)Cl,FN
+Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,TP
+C/N=N/O.[K+],TP
+C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,TN
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,TP
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,TP
Clc1ccc(c(c1)Cl)C(=O)Cl,TP
-Cc1ccc(c(c1)C)O,FN
-CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,TP
+OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,FN
+NCCS,NA
+C=CCC[C@H]1CO1,FN
+CC(=O)Nc1snc2c1cc(Cl)cc2,FN
+CCCCN(CC(OCc1ccccc1)CO)N=O,TP
+OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,TP
+N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1,TP
+ClCN1C(=O)c2c(C1=O)cccc2,FN
+OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,TN
+Nc1cc2c(cc1C)nc1c([n+]2c2ccccc2)cc(c(c1)C)N,TP
+[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],TP
+CCCCCCCCCc1ccc(cc1)O,TN
+CN(CCN(c1ccccn1)Cc1ccc(s1)Cl)C,TN
+ClC(=C(SSc1ccccc1[N+](=O)[O-])F)Cl,TP
NCCCCCCCCCCC(=O)O,TN
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,TP
+ClC(C(Cl)Cl)Cl,NA
+CC(=O)N(c1ccc(cc1)Sc1ccccc1)O,TP
+COc1ccc2c(c1OC)nc1c(c2OC)CCO1,TP
+Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,FP
+OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,TN
+O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,TP
+Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,TN
+O=C/C(=C(/C(=O)O)\Cl)/C,TP
+Oc1ccc2c(c1)c1c(cc2)ccc2c1nc(n2C)C,TP
+COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,FN
+COc1nsc2c1cc(OCC1CO1)cc2,TP
+C#CCOCC[n+]1ccccc1/C=N/O,TN
+C=CC#N,FN
+CCCC[C@H](CO)CC,TN
+OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,TN
NCCCl,TP
-[O-][n+]1cccc2c1c(O)ccc2,FP
-CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,TP
-Cn1cnc2c1c(=O)[nH]c(=O)n2C,TN
-CC(CC(=O)Nc1ccc(cc1)O)O,TN
-OC(=O)c1ccc(cc1)[N+](=O)[O-],TP
-OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,TN
-O=C1CCCCC1=O,FN
-CCC/C=C/C=O,TP
-[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,TN
-OC(=O)C(CCl)Cl,TN
-C=CC=O,TP
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,TP
-CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,TN
-OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,TN
-O=C1OCCN1P(=O)(N1CCOC1=O)Cl,NA
-ClC1=C(Cl)C(=O)OC1,TP
-Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],TP
-NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,TN
-COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,FP
-COC(=O)c1ccco1,TN
+Cc1cccs1,NA
OCc1ccc(cc1)O,TN
-CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,TN
-c1ccc(nc1)c1cccc(n1)c1ccccn1,TP
-Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,TP
-Clc1ccc(cc1)S(=O)(=O)C,TN
-C[n+]1cccc(c1)OC(=O)N(C)C,TN
-CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,TN
+CCCCCN(CCCCO)N=O,TP
+NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,TN
+OC(=O)C(Oc1ccc(cc1Cl)Cl)C,TN
+CN(c1ccc(nn1)NN)C[C@H](O)C,NA
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O.Cl,TN
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,TN
+CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,TP
+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,TN
+Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,TN
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,TN
+CC(=O)OCc1ccco1,TP
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,FN
+Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,TP
+COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,TN
+ClC(C(=O)C)Cl,FN
+C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,TN
+COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,TP
+COC(=O)c1ccc(cc1)C=O,TN
+OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,TP
+Oc1ncc(c(n1)O)F,TN
+C1=C[C@@H]2[C@H](C=C1)O2,TP
+C/C(=C/1\C(=O)[C@H]2N(C1=O)C([C@H]1[C@@H]2c2c[nH]c3c2c(C1)ccc3)(C)C)/O,FP
+O=Cc1ccc(cc1)O,TN
+Nc1ncnc2c1ncn2Cc1ccccc1,TP
+C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,TP
+Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,TP
+C=CC(=O)OCCCCCCOC(=O)C=C,TN
+CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,TP
+ONc1ccc(cc1)Sc1ccccc1,TP
+OC1c2ccccc2-c2c(C1O)c(Cl)c1c(c2)cccc1,FP
+OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,TN
+O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,TP
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,TN
+OP(=O)(O)O.OP(=O)(O)O.CCN(CCC[C@H](Nc1ccnc2c1ccc(c2)Cl)C)CC,TP
+Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,TP
+Clc1cc(N)c(c(c1)C(=O)O)Cl,FN
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c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,FP
-C=CC#N,FN
-COC(=O)Nc1nc2c([nH]1)ccc(c2)O,TN
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,TP
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+OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,TN
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+N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,TN
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+OC(=O)/C=C/c1ccccc1[N+](=O)[O-],FP
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+CC(OC(=O)C(=C)C)C,TN
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+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],TN
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+BrCCCCCCCC(=O)O,FN
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+O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,FP
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,TN
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+CCC(c1ccc(cc1)O)(C)C,TN
+OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,TN
+CCCCOC(=O)C=C,TN
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+[O-][N+](=O)c1scc(c1)C(=O)N,TP
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+Nc1cccc2c1snc2,TP
+Oc1ccc2c(c1N=Nc1ccccc1)cccc2,FN
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+CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,TP
+CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,TN
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+CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,FN
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+OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],TN
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+FC(C(C(Cl)(F)F)(F)F)Cl,NA
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+O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,TN
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+OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,TN
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+CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,TP
+C1CC=C2C(C1)CCc1c2cccc1,TP
+Oc1c2ccccc2nc2c1cco2,FP
+[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
+Clc1cccnc1,TN
+OC1C=Cc2c(C1O)c1cccnc1cc2,FP
+CC(C(=O)NCc1ccc(cc1)Cl)Br,TP
+COc1cccc2c1C1(C)OOC1(O2)C,TP
+COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,FP
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+CN(/C=N/c1ccc(cc1C)Cl)C,TN
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+OC(C1CO1)CO,FN
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,TP
+ClCC(=O)Nc1c(CC)cccc1CC,FN
+OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O,TN
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+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],TP
+Oc1cc(=O)[nH]c(n1)N,TN
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,TN
+CCNc1ccccc1,FP
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+Fc1cnc2c(c1)cc(c1c2cccc1)F,TN
+Fc1ccc(c(c1)F)N,TP
+COP(=S)(SCn1nnc2c(c1=O)cccc2)OC,FN
+OC(=O)CCC(=O)O.[Na+],TN
+OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,TN
+COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,TN
+OC(=O)CCCC(=O)O,TN
+[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,TP
+CCOC(=O)c1ccc(cc1)N(C=O)O,TN
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,TN
+OCc1cccc2-c3c4c(-c12)cccc4ccc3,FP
+O=Nc1cc(ccc1C)[N+](=O)[O-],TP
+CC(=O)OO,TN
+Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O,TP
+O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,TN
+O=CC=C(C)C,FP
+COC(=O)c1sccc1S(=O)(=O)N,TN
+Cc1ccc(cc1)S(=O)(=O)OCC1OC1,TP
+SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,TN
+Oc1ccc2c(c1)oc(=O)cc2C,TN
+CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,FN
+Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,FP
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,TN
+ClCc1ccc(cc1)Br,TN
+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,TP
+CCOc1ccc(cc1N)N,TP
+ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,TN
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,TN
+NC(=S)NCC=C,TN
CCN(c1ccc(cc1)N=Nc1ccccc1)CC,TN
-CCOCCOC(=O)/C=C\c1ccc(cc1)OC,TN
-Nc1nc2c([nH]1)cccc2,FP
-OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,TN
-O=C(OC(C)(C)C)CN=N#N,TP
-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,TP
-[O-][N+](=O)c1cccc(c1N)N,TP
-CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,TP
-OC[C@@H]1CO[C@H](O1)[C@@H](I)C,TP
-Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,TP
-O=C1C2OC2C2c3c1c(O)ccc3C1c3c2ccc(c3C(=O)C2C1O2)O,FN
-CCCCCCOC(=O)C(=C)C,TN
-CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,TP
-O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,TN
-Nc1ccc(cc1)Br,FP
-[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,FN
-Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,TN
-Nc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
-CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,TP
-NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,FP
-Cc1ccccn1,FP
-Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
-CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,TN
-Cn1c(N)nc2c1cc(cn2)c1ccccc1,TP
-Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,TP
-CNCCCC(=O)O,TN
-O=C/C=C\c1ccccc1,FN
-ClC(Cl)(Cl)Cl,NA
-OC/C=C/c1ccccc1,FP
-O=C1CCCO1,TN
-Cc1ccc2c(c1C)c1ccccc1cc2,FP
-OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,TN
-Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,TP
-[O-][N+](=O)NC,NA
-CC(=CCC1CCCC1=O)C,TN
-Fc1ccc2c(c1F)cccn2,TP
-Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,TN
-CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,TN
-Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,TP
-O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,TN
-ClCCSCc1ccccc1,TP
+N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,TP
+Fc1ccccc1C(=O)c1c(C)nn(c1N)C,TP
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,TP
+CC(=O)c1ccncc1,TN
+OCC1OC(C(C1O)O)n1cnc2c1nc(O)nc2N,TN
+BrCc1ccccc1,FN
+CC(=O)Nc1cccc(c1)O,FP
+Cc1nc(Nc2ccccc2)nc(c1)C1CC1,TN
+Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,TP
+C=CCCC1CO1,FN
+Clc1ccc(c(c1)N)C,FP
+COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,NA
+C[C@H]([C@H](O)C)O,TN
+c1ccc2c(c1)[nH]cn2,FP
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+Oc1cc(O)c2c(n1)cccc2,TP
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+COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,FP
+Cc1ccc(cc1)N(C(=O)C)O,TN
Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],TP
-OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,TP
-Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,TP
-Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,FP
-NNC(=O)c1[nH]c2c(c1N)cccc2,TP
-CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,TP
-C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,TN
-CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,TP
-CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,TN
-CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,TN
-CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,TN
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-N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,TN
-[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,TP
-CC(=C)C1CO1,FP
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-O=C1c2ccccc2-c2c1c1ccccc1cc2,TN
-C[C@]12CC[C@H](CC1)C(O2)(C)C,TN
-CCN(C(=S)SSC(=S)N(CC)CC)CC,TN
-CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,TP
-BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],TP
-Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,TN
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-ClC(C(C(F)(F)F)(F)F)Cl,NA
-O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,TN
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OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,TN
-CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,TN
-Clc1ccc2c(c1)c1ccccc1o2,FN
-OC(=O)COc1ccc(cc1Cl)Cl,TN
-CCn1cc(C(=O)O)c(=O)c2c1nc(C)cc2,FP
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-N#CCc1cn(c2c1cccc2)N=O,TP
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-CCCCCCCCC(=O)OCC=C,TN
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-C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,TN
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-[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,TN
-CN(CCN(c1ccccn1)Cc1cscc1)C,TN
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-Clc1ccc(cc1)Br,TN
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-[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
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-[O-][N+](=O)c1cccc(c1O)N,FP
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-CC1(C)C2CC3C(C1C2)(C)O3,TN
-[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,TP
-CC(=O)Nc1ccc2c(c1)cccn2,TP
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-OC(=O)C1CC(N(C1(C)C)O)(C)C,TN
-OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,FP
-CCCCCN(CCCCC)CCCCC,TN
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-Clc1nncc2c1nccc2,TP
-CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,TN
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-O[C@@H](COc1cccc2c1cccc2)CNC(C)C,TN
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-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,TP
-BrCc1ccc(cc1)CBr,FP
-O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,TP
-OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,TN
-Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,TN
-Clc1nncc2c1cncc2,TN
-Sc1ccccc1,TN
-Clc1cccnc1,TN
-Clc1ccc(cc1)SCc1ccc(cc1)Cl,TN
-C/C(=N/O)/C(=O)C,TN
-BrCBr,NA
-NCCCN(CC)CC,TN
-N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,TN
-COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],FP
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-CC(C(CBr)Br)Cl,TP
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,FP
-CN(c1nc(nc(n1)N(C)C)N(C)C)C,TN
-C1CCCCC1,TN
-OCC(C(C(C1SCCN1N=O)O)O)O,TN
-CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,TN
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-C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,TN
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-O=NN(Cc1cccc(c1)C#N)C,TP
-c1nccs1,NA
-Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,TP
-Clc1ccncc1,TN
-C[C@H](COC[C@H](O)C)O,TN
-CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,TN
-O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,TP
-NC[C@H](N)C,TN
-CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,TN
-OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,FP
-OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,TN
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-OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,TP
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-O1CCOCCOCCOCCOCCOCCOCC1,TN
-OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,FN
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-[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,FP
-CCC(=O)C(=O)C,FP
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-[O-][N+](=O)c1ccc2c(c1)cccc2C,TP
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-[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],FP
-[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,TP
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-[O-][N+](=O)c1ccc2c(c1)cccc2,TP
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+CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,TN
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+C/C=C/C,TN
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+CCCCCCCCCCSCn1cc[n+](c1)C.Cl,FN
+CCc1ccco1,TN
+O=C1CCCO1,TN
+OC(=O)c1c[n+]([O-])c2c([n+]1[O-])cccc2,TP
+CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,TP
+C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,TN
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+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,TN
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+CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,TN
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CCCCCCCCCCCCC=C,TN
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-O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,FP
-CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,TN
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-[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,TP
-CCON(C(=O)c1ccccc1)OC(=O)C,TP
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-O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,TP
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-O=Cc1ccccc1,TN
-CCCCCCCCCCCC=C,TN
-CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,TN
-CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,NA
-CC(=O)OCc1ccccc1,FP
-OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,TP
-COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,FN
-COC(=O)c1ccccc1C(=O)OC,TN
-BrCc1cccc(c1)CBr,FP
-c1ccc(cc1)[Se][Se]c1ccccc1,NA
-Clc1cccc(c1O)Cl,TN
-Cc1cc2cc3ccccc3cc2c2c1cccc2,TP
-ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,TP
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-O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,FP
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-c1cc(OCC2CO2)c2c(c1)cns2,TP
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-OC1C(O)C(O)COC1N(c1ccc(cc1)C)N=O,TP
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-[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,TP
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-CC1(CO1)C1CO1,TP
-ClCc1ccc(cc1)C,TN
-COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,FP
-CN1CCC2OC(=O)C3(OC3C)CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C,FN
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-O[C@H](C(=O)c1ccccc1)c1ccccc1,TN
-OCCOC(=O)C=C,TN
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-[O-][N+](=O)c1cccc2c1cccc2C,TP
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-O=NN(Cc1ccccc1)Cc1ccccc1,FP
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COc1ccc(cc1N)NOS(=O)(=O)O,TP
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-CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,TN
-NC(C(S)(C)C)C(=O)O,FN
-O[C@@H](COc1cccc2c1OC[C@H](C2)O[N+](=O)[O-])CNC(C)C,TN
-O=C1CCCCC1,TN
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-c1ccc2-c3ncsc3CCc2n1,NA
-COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,TN
-O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,TP
-CC(c1ccccc1)Cl,TN
-CN(CCNC(=O)c1cccc2c1Nc1ccccc1O2)C,TP
-N1CCc2c(C1)cccc2,TN
-CCCCc1cc(C)cc(c1O)CCCC,TN
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-CC(CC1NC(=O)C(C)N(C)C(=O)CNC(=O)/C(=C\c2ccccc2)/N(C1=O)C)C,TN
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-OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,TN
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-[O-][N+](=O)c1ccccc1C(=O)C,FP
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-OC(c1c(C)cccc1[N+](=O)[O-])O,TP
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-O=c1c2ccc3c4c2c(c2n1c1ccccc1n2)ccc4c(=O)n1c3nc2c1cccc2,FN
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-[O-][N+](=O)c1cc(cc(c1Nc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
-Cc1ccc2c(c1)cccc2,FP
-[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,TP
-CCCCCCCCCCCCCC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,TP
-CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,TN
-OCN=N,NA
-CN(C)C,TN
-NC1CCCCC1,TN
-CCc1ccc(cc1)C(c1ccc(cc1)CC)C(Cl)Cl,FN
-CCN(C(=S)SSCC(C(=O)O)NC(=O)C)CC,TN
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-O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,FP
-C(C1OC1)CC1OC1,FN
-CCCCCN(CCCCO)N=O,TP
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-[O-][N+](=O)[CH-]CCCC,TN
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+C1CCCC2C(CC1)O2,TN
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+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,TN
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+BrCC(=O)c1ccc(cc1)c1ccccc1,TP
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,TN
+COC(=O)C1=CCCN(C1)C,FN
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+Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,TN
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+O=C(NCCC(CC(CNC(=O)OCCOC(=O)C(=C)C)(C)C)C)OCCOC(=O)C(=C)C,TN
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+OC1CCN(CC1)N=O,TP
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+C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,TP
+OC1=C(C)CCC1=O,NA
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+OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,TN
+Nc1nc(N)nc(n1)N,TN
+CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,TN
+ONc1ccccc1C,TP
+CCCCCNCCCCC,TN
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,TP
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,TP
+Clc1ccnc2c1cccc2,TP
+OCCN(CC(=O)O)N=O,TP
+O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,TN
+OC1C(OC(C(C1O)O)COC1OCC(C(C1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,FP
+ONc1[nH]cnc2-c1ncn2,TP
+COc1nc(C)nc(n1)N,TN
+NC(=S)Nc1cccc2c1cccc2,TP
+NNc1nncc2c1cccn2,TP
+OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],FP
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,TP
+OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,TN
+CNC(=O)Oc1cccc2c1OC(C2O)(C)C,TN
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+CCN(c1ccccc1)Cc1ccccc1,FP
+Oc1ccc(c2c1nccc2)S(=O)(=O)O,FN
+Cc1c[nH]cn1,TN
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+CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,TN
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+CCO[P@@](=O)(c1ccccc1)Oc1ccc(cc1)[N+](=O)[O-],TP
+CCSC(=O)Cl,NA
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+CCCc1cc(O)nc(n1)S,TN
+O=C1c2ccccc2CCc2c1cccc2,FP
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,TP
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+CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,TN
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+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,TP
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+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],TN
+CCCCCCCCCCCCOC[C@@H]1OC1,FP
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],TP
+BrCc1ccc(cc1)Br,TN
+O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],FP
+NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],TP
+OCCI,NA
+CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,NA
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,TP
+CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,TP
+N1CCNCC1,FP
+COCN(c1c(CC)cccc1CC)C(=O)CCl,FN
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+CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,TP
+Cc1cc2ccccc2c(c1)C,FP
+CCOCC=O,TN
+CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,NA
+C1CCC(CC1)NSc1nc2c(s1)cccc2,TN
+Nc1ccc2c(c1)nccc2,TP
+Oc1ccnc(n1)O,TN
+O=CN(c1ccccc1)O,FP
+Oc1ccc2c(c1)[nH]c1c2ccnc1C,TP
+Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,TN
+CN(CC(=O)O)C.Cl,TN
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+c1ccc2c(c1)c(CCC1CO1)ccc2,TP
+OC(=O)/C=C/c1ccc(c(c1)O)O,TN
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+Nc1ccc(cc1)c1ccc(cc1)Cl,TP
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],TP
+OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,TP
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,TN
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
+OC(=O)C(CCl)Cl,TN
+COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,TP
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,TP
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,TN
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+CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,TN
+CCCCCCOC(=O)C=C,TN
+CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],TN
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,TP
+CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,TN
+OCCCNP(=O)(N(CCCl)CCCl)O,TP
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+OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,TP
+Clc1ccc(cc1)S(=O)(=O)C,TN
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,TN
+CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
+NN1C(=O)c2c(C1=O)cccc2,TN
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,TN
+O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,FN
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,TP
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,TP
+OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,TN
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+Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,TN
+OC[C@H](O)C,TN
+CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,TN
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+BrCCCBr,FP
+CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,TN
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,TN
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+CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,NA
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+CCCCCCCCCCCl,TN
+Clc1ccc(cc1)S(=O)C,TN
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,TN
+O=NN(C(=O)N)CC(=O)O,FP
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+CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,TN
+[CH-]1Nc2c(C(=N)[N+]1=O)ncn2C,NA
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,TN
+O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,TN
+Oc1ncc(c(c1)C(F)(F)F)C(=O)O,TN
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,TP
+Cc1cc(N)c(cc1N)C,TP
+C=Cc1ccc(cc1)N,TP
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,TP
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+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,TP
+CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,TN
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,TP
+NC(=O)c1ccccc1C,TN
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+O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,TN
+C[N+]1(C)CCOCC1,TN
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],FN
+COc1ccccc1N.Cl,TP
+CCCCCOC(=O)C(=C)C,TN
+O=NN(C(=O)c1ccccc1)C,TP
+CCCCCCCCCCCC(=O)N(CCO)CCO,TN
+O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,TN
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,FP
+NNC(=O)c1ccncc1,FN
+O=C1C(=CC(C=C1C(C)(C)C)(C)OOC(C)(C)C)C(C)(C)C,TN
+c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,TP
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,TP
+Nc1[nH]cnc2-c1ncn2,FN
+C1CCC2C(C1)CC1(CC2)CO1,TN
+[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,FP
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,TP
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],TP
+CNC(=O)Oc1cccc2c1OC(C2)(C)C,TN
+CNC(=O)ON=C(SC)C,TN
+O=NOC(C)(C)C,TP
+[O-][n+]1cccc2c1C1OC1C=C2,TN
+Cc1ccc(c(c1)O)C,TN
+CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,FP
+ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,TP
+N#N=Nc1nc2c(n1C)c1cccnc1cc2,TP
+N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,TP
+CCCC[C@H](CN)CC,TN
+NC(=O)c1ccc(cc1)[N+](=O)[O-],TP
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,TN
+OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],TP
+OCC=C,FP
+Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,TP
+Clc1cccc2c1nccc2,TP
+COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
+O=C/C(=C/c1ccccc1)/C,TN
+CC(c1ccc(cc1)O)(CC(C)(C)C)C,TN
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,TN
+NCCCNCCCN,TN
+CC1=CC[C@@H](CC1)C(=C)C,TN
+O=CCC(c1ccc(cc1)C(C)(C)C)C,TN
+ClC(=O)c1ccccc1C,TP
+ClC(=O)c1cccc(c1)[N+](=O)[O-],TP
Cc1cc2c(nc1N)[nH]c1c2cccc1,TP
-COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,TN
-CC(C(=O)N)Br,TP
-Nc1cc2ccc3c4c2c(c1)ccc4ccc3,TP
-NC(=N)N,NA
-OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],TP
-NC(=O)CI,TN
-Nc1cc(N)c(c(c1)[N+](=O)[O-])C,TP
-CC(CNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
-CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,TP
-O=Nc1cccc(c1)C,FP
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,FN
-OCC1=C[C@@H]2CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,TP
-OC(=O)c1occ(c1c1ccccc1)c1ccccc1,FP
-O=C(c1ccccc1)Nc1snc2c1cccc2,FN
-[O-][N+](=O)c1ccc(cc1)Oc1ccccc1,TP
-CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,TN
-O=C(OC(C)(C)C)Sc1nc(C)cc(n1)C,NA
-Fc1ccc(c2c1ccc1c2nccc1)F,TP
-CCOC(=O)CBr,FN
-Cc1ccc(cc1)O,TN
-COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
-Cc1cccc2c1c1cc3ccccc3cc1cc2,TP
-[O-][N+](=O)c1cc(ccc1n1cnc2c1ncnc2N)[N+](=O)[O-],TP
-Cc1c2ccccc2c(c2c1cccc2)[C@@H]1CO1,TP
-CN(c1ccc(cc1)N)C,TP
-N1[C@@H]([C@H]1c1ccccc1)c1ccccc1,TP
-COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],TP
-[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,TP
-CCCCN(CCO)N=O,TP
-O=CC=O,NA
-O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,FP
-OC(=O)C(=O)O,TN
-CC[C@H](Nc1ccc(cc1)N[C@@H](CC)C)C,TN
-O=C1CCc2c1cc(C)c1c2ccc2c1cccc2,TP
-O=CCCCC=O,FN
-OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,TP
-NC(=O)OCc1ncc(n1C)[N+](=O)[O-],TP
-OCC1(CO1)C12OC2C2(C(=CC1=O)CCC(C2C)O)C,NA
-ClCCN(CCCl)C,FN
-O=C1C=CC(=O)c2c1cccc2,TP
-OC(=O)Cc1cccc2c1cccc2,FP
-O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,TN
-CNc1ccc2c(c1N)nc(cn2)C,FP
-CN(C(=S)SSC(=S)N(C)C)C,FN
-OCc1ccccc1,TN
-Oc1c2c(ccc3c2OCCO3)nc2c1cccc2,TP
-OCCCNC(=O)C(C(CO)(C)C)O,TN
-BrCC(C)(C)C,FP
-CCCCN([C@H](OC(=O)C)CCC)N=O,TP
-OC1C2OC2c2c(C1O)cccn2,TN
-c1ccc2c(c1)c(ccc2)CC1CO1,TP
-CC(=O)Nc1cnc2c(c1)cccc2,FP
-CCC(=O)n1ncc(c(c1=O)Cl)Cl,TN
-Clc1nncc2c1cccc2,TN
-Cc1ccc(c(c1)[N+](=O)[O-])N,TP
-CCN(c1ccc(cc1)N)CC,FN
-CC1CCCC1,TN
-Cc1cc(O)c2c(c1)C(=O)C(=CC2=O)c1c(C)cc2c(c1O)C(=O)C=CC2=O,FP
-O[C@H]1C=Cc2c([C@@H]1O)c1ccc3c4c1c(c2)ccc4c(cc3)[N+](=O)[O-],TP
-c1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,TP
-CC/C=C/C=C/C=C/C=C/C=C/SCC(CO)O,FP
-COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,TP
-O=NN1CCSC1C(C(C(C(O)C)O)O)O,TN
-CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,TN
-CC(=CC1C(C1(C)C)C(=O)O)C,TN
-Clc1cc(Cl)c(c(c1Cl)O)Cl,TN
-COP(=O)(NC(=O)C)SC,NA
-c1cnc2c(c1)ccc1c2cccn1,TP
-COC(=O)COc1ccc(cc1Cl)Cl,TN
-Oc1cccc2c1c(O)c1c(c2)cccc1O,FP
-OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,TN
-O=NN1CCNCC1,TP
-BrCc1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
-CC(Cl)Cl,NA
-[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,TP
-O=C/C=C\c1ccccc1OC,FN
-CCNc1snc2c1cccc2,TN
-O=C1C=Cc2c(C1=O)ccc1c2c(C)c2ccccc2c1C,FP
-CC(NCC(c1ccc(cc1)NS(=O)(=O)C)O)C,TN
-CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,FP
-C=C[C@H](c1ccc(cc1)OC)OC(=O)C,TP
-C/C=C/c1cc2OC(C)C(C(=O)c2c(=O)o1)O,NA
-CC(=O)C(=O)C,FN
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-OC(=O)/C=C\C(=O)O,TN
-O=C1CCCC2=C1C(C)(C)C(C2(C)C)C,NA
-ClCCCBr,TP
-O=c1cc(n(n1c1ccccc1)C)C,FP
+[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],FN
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,TN
+COP(=S)(Oc1ccc(c(c1)C)N)OC,FN
+CN(N=Nc1ccccc1)C,TP
+CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,TP
+OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,FP
+NNc1nncc2c1nccc2,TP
+N#CCCC(=O)CCc1ccc(cc1)C(=O)O,FN
+CC(OP(=O)(F)C)C,TN
+COP(=S)(SC(C(=O)O)CC(=O)O)OC,TN
+CC([C@](C(=O)O)([C@H](O)C)O)C,TN
CC1(O)C=Cc2c3C1(O)CCc3c1c(c2)c2ccccc2cc1,TP
+CC/C=C/C=C/C=C/C=C/C=O,FP
+O=C(Nc1c(C)cccc1C)CN1CCCC1=O,TN
+O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,TN
+CCOC(=O)CNC(=O)CBr,FP
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,FN
+OC(=O)/C=C/Cl,FN
+CCO,TN
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,TP
+Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,TN
+ClCC(=O)NCc1ccccc1,TP
+OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,TP
+COc1ccc(cc1)CN(N=O)C,FP
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,TN
+COCC=O,FN
+Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,TN
+CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,TN
+ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
+OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,TN
+O1COCOC1,TN
+Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,TP
+Cc1cc2n(C)c(nc2c2c1nccn2)N,TP
+COc1ccc2c(c1)nc(n2C)N,FN
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,TP
+OC(=O)/C=C/c1ccc(cc1)N,TN
+Nc1nc(O)c2c(n1)nn[nH]2,TN
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,TN
+ONc1nc2[nH]c3c(c2cc1C)cccc3,TP
+Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,TP
+CCN1CCOCC1,FN
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,TP
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,TP
+CCCCCCCCCCCCCO,TN
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,TP
+ClC(=O)c1ccccc1F,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,TP
+OCCc1ccc(cc1)[N+](=O)[O-],TP
+OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,TP
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,FP
+ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,TP
+CCOc1cccc(c1)N,TP
+CNCCO,TN
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,FP
+Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,TN
+C1O[C@H]1[C@@H]1CC[C@H]2[C@@H](C1)O2,FN
+OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,FN
+OCCO,TN
Cc1cc(C)cc(c1)O,TN
-Clc1c(Cl)cnn(c1=O)S(=O)(=O)C,FN
-C1CCC(CC1)NSc1nc2c(s1)cccc2,TN
-OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,TN
-COC(=O)C1=C(C)C(OC1=O)(C)O,FP
-Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],TP
-CN(CCNC(=O)c1cccc2c1nc1ccccc1c2)C,TP
-Clc1cc(Cl)cc(c1)Cl,TN
-CCOP(=S)(SCCl)OCC,TN
-Oc1cnc2c(c1)cccc2,FP
-CCCCCO,TN
-OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,TP
-Oc1ccc2c(c1)cc[nH]2,TN
-COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,FP
+c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,TP
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,TP
+OC(=O)[C@@H]1[C@H](C(=O)O)[C@]2(C([C@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,TN
+CC1=CC[C@H](CC1)C(O)(C)C,TN
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],TP
+Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,TP
+Cc1cccc2c1ccc1c2cccc1,TP
+[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,TP
+O=S1(=O)OCCCO1,TP
+O=C/C=C/C=O,TP
+Nc1cccc2c1c(N)c1c(n2)cccc1,TP
+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,TN
+Cc1cc(C)c(cc1C)C,TN
+C=C1[C@H]2CC[C@@H](C1(C)C)C2,TN
+COC(=O)C(=C)C#N,FN
+Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,TP
+OC(=O)Cc1ccc(c(c1)O)O,FN
+CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,TN
+CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,TN
+CCNS(=O)(=O)c1ccccc1C,FN
+Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,TN
+CC(Nc1ccccc1)C,TN
+Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],TP
CC(=O)NS(=O)(=O)c1ccc(cc1)N,FP
-OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,FN
-O/N=C/C(=O)Nc1ccccc1,TN
-CC(C(=O)NCc1ccccc1)Br,TP
-c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,TP
-Oc1c2ccccc2nc2c1cccc2,FP
-CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,TN
-O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,TP
-Nc1ccc(c(c1)[N+](=O)[O-])O,TP
-CC#N,NA
-O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,TP
-Oc1ccc(c2c1nccc2)S(=O)(=O)O,FN
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
+ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
+ClCCOP(=O)(OCCCl)OCCCl,FP
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,TN
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,TN
+CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,TN
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,TP
+O=C1O[C@H]2CC[N@]3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,TN
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,TP
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,FN
+CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,TN
+Nc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],TP
+ClC(=O)c1ccccc1C(=O)Cl,TP
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,TP
+CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,TP
+C[C@H]1C[C@@H](OC(=O)c2ccccc2O)CC(C1)(C)C,TN
+N#Cc1cccc(c1)[N+](=O)[O-],FN
+C[C@@H]1CCC(=C(C)C)C(=O)C1,TN
+OCC1OC(CC1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],TP
+ONc1cnc2c(c1)nc1n2cccc1,TP
+CC[C@H]1C[N@]2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC.Cl.Cl,TN
+Cc1ccc2c(c1)cccc2[N+](=O)[O-],TP
+O=C1NOCC1(C)C,NA
+Nc1ncnc2c1nc[nH]2,FN
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,NA
+OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,TP
+Nc1cc(Cl)cc(c1)Cl,TN
+OC[C@@H]1SCCN1N=O,TP
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,FP
+O=C1CCC(=O)N1c1ccc(cc1)Cl,TN
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],TN
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,TP
+ClCc1ccc(cc1)C#N,TN
+O=C(C1OC1)Nc1ccccc1,TP
+CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,TN
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],TN
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,TN
+OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,TP
+Cc1c(N)c(C)c(c(c1C)N)C,FP
+COc1cc(ccc1OC)Cc1cnc(nc1N)N,FN
+CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,TP
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,TP
+SC[C@@H](C(=O)O)NC(=O)C,FN
+CCCCOCCOCCOCc1cc2OCOc2cc1CCC,TN
+OCc1ccc(o1)c1[nH]ccc2-c1nc1c2cccc1,TP
+c1cc2ccc3c4c2c(c1)ccc4cnc3,TP
+Nc1ccc2c(c1)nc1c(n2)cccc1,TP
+c1ccc(cc1)N/N=N/c1ccccc1,TP
+O=C1CCc2c1ccc1c2ccc2c1cccc2,TP
+O=NN(c1ccccn1)C,FN
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,TP
+CC(=O)Nc1ccc(cc1)N,TP
+COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,TN
+Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,TN
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,TP
+CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,TP
+[O-][N+](=O)c1ccccc1C(=O)Cl,TP
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,TP
+OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,TN
+[O-][N+](=O)c1c(O)ccc2c1cccc2,FN
+[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],TP
+CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,TN
+CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],TP
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,TN
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,TN
+[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],FP
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],TP
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,TP
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],TN
+CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,TP
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,TP
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,TN
+CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,TN
+O=c1[nH]c(=O)[nH]nc1C(C)(C)C,FP
+CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,NA
+NNC(=O)CNC(=O)/C=N#N,TP
+COC1OC(=O)C(=C1C(Cl)Cl)Cl,TP
+O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,TN
+ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,TP
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,TP
+Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,TP
+O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,TP
+OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,TN
+O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,TN
+CCCCCOc1ccc(cc1)N=O,FN
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,TP
+OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,FN
+Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,TN
+COC(=C1C(=NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N)C)O,TN
+CC(c1ccc(cc1)C(C)(C)C)O,TN
+CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,TN
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,TN
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,TP
+COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],TN
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,TN
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TN
+Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],TP
+OCCN(N=O)CCO,TP
+COc1cc(N)c(cc1N)[N+](=O)[O-],TP
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,TP
CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,NA
-O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,TN
-Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,TN
-Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,TP
-CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,TN
-O1CC1Cc1ccccc1,TP
-N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,TP
-C=CCOC(=O)c1ccccc1C(=O)OCC=C,TN
-CCC(=O)Nc1ccc(c(c1)Cl)Cl,TN
-Cc1cccc2c1c1ccc3c(c1cc2)cccc3,TP
-CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],TP
-NC(=O)Cc1cccc2c1cccc2,TP
-NC(=O)Cc1cccc2c1cccc2,FP
-[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,TP
-Cc1cc2n(C)c(nc2c2c1nccn2)N,TP
-O=C(N(C)C)Nc1ccc(c(c1)Cl)C,TN
-O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,TP
-ClC[Si](C=C)(C)C,NA
-c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,TP
-ONc1cccc(c1)C,TP
-CCNc1nc(NCC)nc(n1)Cl,TN
-C1CC2CCc3c(C42C(C1)O4)cccc3,TN
-CNC(=O)Oc1ccccc1,FP
-Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,TN
-Fc1c(F)c(F)c(c(c1Cl)F)Cl,TN
-C=Cc1ccc(cc1)N,TP
-COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,TN
-OC(C(F)(F)F)C(F)(F)F,NA
-[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],TP
-CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],FP
-Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,FP
-C/C=C/C1OC(=O)C=CC1O,FP
-[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],TP
-C1CCSCS1,NA
-CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,FP
-Oc1c2ccccc2nc2c1cco2,FP
-CN(CCNC(=O)c1cccc2c1nc(cc2)c1ccccc1)C,TP
-[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,TP
-C(Sc1ccccc1)CSc1ccccc1,TN
-Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,TN
-Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,FN
-[O-][N+](=O)c1ccc2c(c1)cn[nH]2,TP
-ClC(=O)OCC1c2ccccc2-c2c1cccc2,TP
-OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,TP
-O=NN(CCCC(c1cccnc1)O)C,TP
-O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,TN
-OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O,FN
-O=NN1CCN([C@H](C1)C)N=O,TP
-c1cccnc1,FP
-ClCCBr,TP
-c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,TP
-ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
-N#CCc1ccccc1[N+](=O)[O-],TP
-NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,TN
-OCCC(CCC=C(C)C)C,TN
-OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
-CCOC(=O)C,TN
-CC(CN(C(=N)N[N+](=O)[O-])N=O)C,TP
-OC(=O)Cc1c[nH]c2c1cccc2,TN
-O=C1C=CC(=O)C(=C1)Cl,TN
-ClCc1ccc(cc1)[N+](=O)[O-],TP
-CCC#N,TN
+COc1cccc(c1)[N+](=O)[O-],FP
+O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,TN
+CNC(=O)N(C(=O)C)O,FN
+COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,FP
+Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,TP
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,TN
+OCCNc1ccc(c(c1)O)C,FP
+ClN1C2C1c1ccccc1-c1c2cccc1,TP
+Nc1cc([N+](=O)[O-])c(c(c1C)C)N,TP
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,TN
+OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,TP
+ClCCP(=O)(O)O,TN
+CN(N=O)CC,TP
+Clc1cccc(c1)C(=O)Cl,TP
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,TN
+[O-][N+](=O)c1ccc2c(c1)cc[nH]2,TP
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,TP
+Clc1ccccc1C(F)(F)F,TN
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,TP
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,TN
+CCCCOC(=O)c1ccc(cc1)N,TN
+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,TN
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,TP
+COC(=O)c1ccco1,TN
+CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,TN
+ONc1ccc(cc1)c1ccccc1,TP
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,FN
+CCCCc1cc(C)cc(c1O)CCCC,TN
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,TN
+NC(=O)CI,FP
+Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,TN
+CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,TP
+COC(=O)C(=C)C,TN
+BrCC(=O)Nc1ccccc1,TN
+NCCNCCNCCNCCNCCN,TP
+O=NN(C(=O)N)CCC(=O)O,TP
+Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,TN
+O=NN([C@@H](c1ccccc1)OC(=O)C)C,TP
+NCCc1cc(O)c(cc1O)O,FN
+OC(=O)C(CC(=O)O)CC(=O)O,FP
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+O=c1[nH]ncc2c1cccc2,TN
+CC(=O)NC(C(=O)O)CSCCCl,TP
+NCC(=O)O.Cl,TN
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+O=NN(Cc1ccc(cc1)F)C,TP
+Nc1cccc(c1)N,FN
+COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],FP
+Sc1ncnc2c1[nH]cn2,TP
+CCCCCCCCCCCCOS(=O)(=O)O.[Na+],TN
+O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,TN
+O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,TP
+CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+[O-][N+](=O)c1cc2c(cc1)ncn2C,TP
+O=NC([N+](=O)[O-])(C)C,FN
+Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,TN
+ClC(=O)Cc1ccccc1,FN
+COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,TN
+Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,TN
+CC(=O)Nc1ccc(cc1)c1ccccc1,TP
+CC(=O)OC[C@@H](CO)O,FN
+Oc1ccc(c(c1)C(C)(C)C)O,TN
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@]2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2,NA
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,TP
+CCCCN(CC(=O)CC)N=O,TP
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,TN
+CCC(=C)C=O,FN
+O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,TN
+[O-][N+](=O)c1cccc2c1cccc2,TP
+CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,FP
+ONc1nc2c(n1C)ccc1c2cccn1,TP
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
+N#Cc1cccc2c1nccc2,TP
+O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,TP
+BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,TP
+Nc1c(C)cccc1O,FP
+Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,TP
+OC(=O)CCc1c[nH]c2c1cccc2,TN
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,TN
+Nc1ccc(c(c1)C(=O)O)O,FP
+[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
+C=CCCC(C=O)CC,TN
+OCc1c(OC2OC(COC3OCC(C(C3O)O)O)C(C(C2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
+Nc1cccc2c1nc1ccccc1n2,TP
+Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,FP
+C1CCCCNC1,TN
+C[N+](Cc1ccccc1)(C)C.Cl,TN
+CCn1c(N)nc2c1ccc1c2cccn1,TP
+Clc1ccc(cc1)Cl,TN
+CC(N=C=NC(C)C)C,NA
CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,NA
-O1C=CC2C(C=C1)O2,NA
-Nc1nc2c(n1C)ccc1c2nccc1,TP
-COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,TN
-CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,TN
-O1OC2c3c(C1c1c2cccc1)cccc3,FP
-ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,TP
-CCC/C=N\O,FN
+c1ccc2c(c1)c1ccc3c4c1c(c2)Cc4ccc3,TP
+BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,FP
+Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,TN
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+Cc1ccc2c(c1C)c1ccccc1cc2,FP
+CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,TP
+NNc1ccccc1,TP
+COc1ccc(c(c1)C(C)(C)C)O,TN
+N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,FP
+N#N=Nc1nc2c(n1C)cccc2,TP
+ClCCNc1ccc(cc1)C,TP
+O=NN(CCCC(=O)c1cccnc1)C,TP
+OC(=O)C1OC1C(=O)O,TN
+CCC[C@H]([C@H](CO)CC)O,TN
+O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,FN
+OC(COc1cccc2c1cc[nH]2)CNC(C)C,TN
+C[n+]1c2ccccc2nc2c1cccc2,TP
+CN(c1nc2c(n1C)ccc1c2cccn1)C,TP
+CCN(c1ccc2c(c1)oc(=O)cc2C)CC,TN
+CCOC(=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C,TN
+CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,TP
+N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,TN
+[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],FP
+BrCc1cccc(c1)CBr,TN
+BrC(C=O)CBr,NA
+Cc1cc(C)c(c(c1N)C)N,TP
+Nc1cccc2c1c(O)nnc2O,FP
+Cc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
+OC1C(OCC(C1O)O)Nc1ccc(cc1)[N+](=O)[O-],FP
+CC(=O)c1ccc(cc1)[N+](=O)[O-],TP
+ClCSP(=S)(OCC(C)C)OCC(C)C,TN
+CC(N)(C)C,NA
+CCCCOC(=O)c1cccc2c1nccc2,TN
+CSc1ccc(cc1C)OP(=S)(OC)OC,TN
+O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,TP
+N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1,TP
+CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,TN
+Cc1cc2ccccc2c2c1c1ccccc1cc2,TP
+O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(nc1=O)N)COP(=O)(O)O,TN
+Nc1cc(N)c(cc1/N=N/c1ccccc1C)C,TP
+CC(=C)C=O,FN
+Oc1ccc2c(c1O)c(C)c1c(c2)c2ccccc2cc1,TP
+COc1ccc(ccc1=O)[N+](=O)[O-],TP
+CC[C@H](c1ccccc1O)C,TN
+Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,FP
+CCC#N,TN
+Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,TP
+Oc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
+OC(=O)CCC(=O)OC[C@@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl.[Na+],TN
+N#CC1=Cc2c3c1cccc3ccc2,TP
+CNc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
+CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,TP
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
+Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O,TN
+Clc1cccc(c1)C(=O)O,TN
+COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,FP
+CC(c1cc(ccc1N)c1ccccc1)C,TP
+O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,TP
+COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],TN
+Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])ccs2,TP
+BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
+C1N2CN3CN1CN(C2)C3,NA
+CCCCCCCCCCCCCOC(=O)C[N+](CC)(CC)CC,TN
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,FP
+ClC[C@H](O[C@@H](CCl)C)C,TP
COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,FN
-CSC(/C=N\O)(C)C,TN
-ClCC(=C)Br,NA
-c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,TP
-BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,FP
-c1ccc2c(c1)scn2,FP
-COCCOC(=O)c1ccccc1C(=O)OCCOC,FN
-COC1OC1(C)C,TP
+CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,TN
+Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,TN
+COC(=C1C(=NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C)C)O,TN
+BrCC1=C(Cl)C(=O)OC1,TP
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,TN
+[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,TP
+O=C1c2ccccc2C(=O)c2c1c1[nH]c3c(c1c1c2[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O)ccc1c3C(=O)c2ccccc2C1=O,FP
+COc1cc(ccc1N)[N+](=O)[O-],TP
+O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],TN
+C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,TP
+O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,TN
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,FP
+OC1C2C(=O)C3=C(O)c4c(C(=O)C53C1C1C32C(=C(O)c2c(C3=O)cc(cc2O)C)C(=O)C5C1O)cc(cc4O)C,TN
+Nc1cccc2c1nccc2,TP
+COc1cc(N)ccc1N,TP
+COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,NA
+CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,TP
+OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,TN
+CC[S@@](=O)CCSP(=O)(OC)OC,TP
+CCCCCC[C@@H]1OC1,TN
+O=C1C2OC2C2c3c1c(O)ccc3C1c3c2ccc(c3C(=O)C2C1O2)O,FN
+NC(=O)CCCCC(=O)N,TN
+BrCCSCC(C(=O)OC)NC(=O)C,TP
+NCC(=O)O,TN
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,TP
+CN(c1nc(C)c(c(n1)O)C)C,TN
+OCc1cccc(c1)[N+](=O)[O-],TN
+O=Nc1c(nc2n1ccs2)c1ccc(cc1)Cl,TP
+CNC(=O)Nc1ccc(cc1)Br,TN
+C/C/1=C\CCC(=C)C2C(CC1)C(C2)(C)C,TN
+O1CCOCCOCCOCC1,TN
+CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,TN
+C[C@H]1CCOS(=O)(=O)O1,NA
+O=C(Cc1ccccc1)OCc1ccccc1,FP
+OC(=O)CCC(=O)O.[Na+].[Na+],TN
+OC(=O)c1ccc(c2c1snn2)O,TN
+CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,TN
+O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,FN
+[O-][N+](=O)c1nccn1C[C@H](COC)O,TP
+Nc1ccc(cc1)F,TP
+COC1=C[C@@H]2[C@@H]3Cc4c([C@@]2(CC1=O)CCN3C)c(O)c(cc4)OC,TN
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,FP
+Oc1ccc(c(c1)C)C,TN
+C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,TN
+CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,TN
+COc1cc(/N=N/c2ccc(cc2)N)c(cc1/N=N/c1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C.[Na+],TP
+OC(=O)c1cccc(c1N)O,TN
+C/C(=N\O)/C(=O)C,TN
+O=C1C=C(C)C(=O)C(=C1)C,TN
+OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,TN
+COP(=O)(OC)O,FP
+COc1cc(cc(c1O)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@H]1O)O)C,TN
+Cc1ccc(cc1)N(C)C,TP
+[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F,TN
+OC/C=C/c1ccccc1,FP
+OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,TN
+COCC(=O)O,TN
+CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,TN
+CC(=C)C,TN
+OS(=O)(=O)c1cccc2c1nccc2,FP
OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,TN
-CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,FP
-CC(OC1OC(=O)C(=C1Cl)Cl)C,TP
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,TP
-CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,TN
-[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,FP
-O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,FP
-Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,TN
-BrCc1cccc(c1)[N+](=O)[O-],FP
-c1ccc2c(c1)cc(cc2)[C@@H]1CO1,TP
-OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],FN
-CCCCCCCCCCSCn1cc[n+](c1)C,FN
-[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],TP
-Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,TP
-Oc1ccc2c(n1)ccc1c2nc(n1C)N,TP
-COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,TN
-CC(Br)(C)C,FN
-CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,TP
-CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,TN
-COc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
-OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,TN
-NCCCN(C)C,TN
-CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,TP
-OC(=O)C1OC(Oc2ccc3c4c2ccc2c4c(cc3)cc3c2cccc3)C(C(C1O)O)O,TN
-CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,FP
-COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,TN
-O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,TN
-O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
-COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,FP
-CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,NA
-CCOC(=O)c1cccc2c1nccc2,TN
-CCN(c1ccc(cc1)N=O)CC,FN
-OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccccc1[N+](=O)[O-],TP
-CCCC[C@H](COC(=O)CCCCC(=O)O)CC,TN
-C=CN1CCCC1=O,NA
-O=c1ccoc(c1O)C,FN
-Nc1ccc2c(n1)cccc2,TP
-C=CCc1ccc2c(c1)OCO2,TN
-O1CCOCC1,TN
+COc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl.O.O,TN
+OC1C=Cc2c(C1O)ccc1c2sc2c1cccc2,TP
+COc1cc(=O)[nH]c(=O)[nH]1,TN
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O,TN
+N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,TN
+O=Cc1ccc(c(c1)Cl)Cl,TN
+c1ccc2c(c1)cnnc2,TN
+CCCCCCCCOc1ccc(cc1)C(=O)O,TN
+CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,TN
+O=Nc1c(O)ccc2c1cccc2,FP
+[O-][N+](=O)c1ccnc2c1cccc2,TP
+CSCC[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCN=C(N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCN=C(N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCN=C(N)N)CCCN=C(N)N)CO)CO,TN
+CCC(COC(=O)CCCCC(=O)O)CCC(O)C,TN
+COc1nsc2c1cccc2OC[C@H]1CO1,TP
+Cc1ccccc1N=Nc1ccc(cc1)N(C)C,FP
+CCCC(=O)c1cc(O)c(cc1O)O,FN
+OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,TN
+O=NN(Cc1ccc(cc1)C)C,FP
+OC[C@H]1O[C@@H](O[C@@]23CC[C@@H]4[C@@](C2)(CC3=C)CC[C@H]2[C@@]4(C)CCC[C@@]2(C)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O,FP
+COC(=O)COc1ccc(cc1Cl)Cl,TN
+OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,TN
+OS(=O)(=O)CNc1ccc(cc1)N=Nc1cccnc1,FP
+CCCN(S(=O)(=O)c1ccc(cc1)C(=O)O)CCC,TN
+Clc1ccncc1,TN
+COc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+Cc1ccccc1O,TN
+CNC(=O)Oc1ccccc1,FP
+CCCSP(=O)(SCCC)OCC,NA
+Oc1ccc2c(c1/N=N/c1ccccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
+Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,TN
+COC(=O)/C(=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC)/Br,TN
+Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,TN
+[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,TP
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,TP
+CCCCCCCCCCCCCCCCCC(=O)OCC1=CC=C2C1=C[C@@H](CC=C2C)C(=C)C,FN
+CONC(=O)Nc1ccc(cc1)Br,TN
+C[C@H]1C[C@@H](C)C(=O)[C@H](C1)[C@H](CC1CC(=O)NC(=O)C1)O,TN
+CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,TN
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,TP
+Clc1ccc(c(c1)Cl)Cl,TN
+OC(=O)c1ccccc1S(=O)(=O)N,TN
+OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,TN
+O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,TP
+O(Cc1cccc2c1cccc2)CC1CO1,TP
+Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,TN
+COc1c(OC)ccc2c1c(=O)n(C)c1c2ccc2c1cc1OCOc1c2,TP
+Nc1ccc(c(c1)N)O,TP
+NC(=O)c1cnccc1C(F)(F)F,TN
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,TN
+ClC[C@@H](CBr)Br,TP
+OC(=O)c1c(Cl)cccc1Cl,TN
+COC(=O)Nc1nc2c([nH]1)cc(cc2)O,TN
+Oc1ccc(cc1)/C=N/c1snc2c1cccc2,TP
+CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,FP
+COc1ccc(cc1)C=C,TN
+COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,TN
+C=C[C@@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Br,TN
+C(C1OC1)CC1OC1,FN
+Cc1cnc2c(c1)cccc2,TP
+[O-][N+](=O)c1cc[n+](c2c1cccc2)[O-],TP
+C/C=C(/C=O)\Cl,TP
+ClCc1ccc(cc1)F,FP
+OC1C2OC2c2c(C1O)ccc1c2cccc1,TP
+CCCCCCCC(=O)O,TN
+Cc1ccccc1N.Cl,TP
+CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,TN
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,TN
+C[C@H](c1ccccc1)O,TN
+COCCOC(=O)C=C,TN
+ONc1ccc(c(c1)Cl)Cl,FP
+OCc1ccc(cc1[N+](=O)[O-])N,TP
+O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,FP
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,TP
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,TN
+[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,TP
+CCCCCCCC(=O)Nc1snc2c1cccc2,TN
+COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,FP
Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,TP
-OC(=O)C(Oc1ccc(cc1Cl)Cl)C,TN
-CC(=O)OCN(N=O)CCCl,TP
-COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,TN
-Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,TP
-Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,TP
-CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,TN
-CCOS(=O)(=O)c1ccc(cc1)C,TP
-CC(=O)OC(=O)C,TN
-Oc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
-OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O,TN
+OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,TN
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,FN
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],FP
+CNN=NC,NA
+CC(NC(C)C)C,TN
+c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,TP
+Nc1ccc2c(c1)s[nH]c2=O,FP
+ClC(C1=C(Cl)C(=O)OC1)Cl,TP
+CCOCCOC(=O)/C=C/c1ccc(cc1)OC,TN
+CCOc1cccc2c1nccc2,FP
+OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,TP
+O=C(C(=O)c1ccccc1)c1ccccc1,TN
+CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,TP
+CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,TN
+Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,TN
+NC(C(=O)O)C(C)C,TN
+Nc1ccccn1,FP
+Cc1cc2ccccc2c2c1cc1ccccc1c2,TP
+OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,FP
O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,TN
-COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,TP
-Oc1ccc2c(c1)OCO2,TN
-c1ccc2c(c1)nccc2,TP
-NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-CC(=C)C(=O)OC[C@@H](CBr)Br,FN
-CC/C=C/[C@H](C=O)CC,TN
-ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,FP
-C1CCC(CC1)NC1CCCCC1,TN
-CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,TP
-NNc1ccc(cc1)C(=O)O,TN
-CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,TP
-CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,TN
-N#Cc1cccc(c1)C,TN
-CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,TN
-COC(=O)CCl,TN
-Clc1cccc(c1)C(=O)O,TN
-Clc1ccc(cc1)Cl,TN
-OCc1cc2c([nH]1)c1ncccc1cc2,FP
-CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,TP
-[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,FP
-O=Cc1ccc(cc1Cl)Cl,TN
-Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,TP
-ClC(=O)c1ccccc1Cl,TP
-ClCCCN(COC(=O)C)N=O,TP
-COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,TP
-COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,TP
-CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,TN
-BrC[C@H](Br)C,TP
-Nc1cc2nc3ccccc3nc2cc1O,TP
-Cc1cccc2c1cc1c(c2)ccc2c1cccc2,TP
-BrCCC(CCBr)(CO)CO,TP
-OC(=O)C(Cl)(Cl)Cl,NA
-OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],FP
-Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TP
-CCCCCCCCCC[C@@H]1OC1,TN
-ClC1OC1CBr,TP
-Cc1ccc2c(c1C)cccc2,FP
-Nc1ccc(cc1C)c1ccc(c(c1)C)N,TP
-CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,FN
-[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,TP
-ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,TN
-O=C1CCc2c1ccc1c2ccc2c1cccc2,TP
-c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,TP
-O=Nc1ncn(c1c1ccccc1)C,TP
-OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,TN
-O=CC1=CCC(CC1)C(=C)C,TN
-Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,TN
-OCCCO/C=C/C=C/C=C/C=C/C=C/CC,TP
-CC(Nc1snc2c1cccc2)C,TN
-COc1ccc(cc1)CC1OC1,TP
-NNc1nncc2c1nccc2,TP
-CCN(c1cccc(c1)O)CC,TP
-OCNC(=O)C=C,TN
-COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,TP
-[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,TP
-[O-][N+](=O)c1cccc(c1O)c1ccccc1,FP
-OCc1ccc(cc1)[N+](=O)[O-],FP
-O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,TP
-COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,TP
-CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],TP
-CCCC(=C)C=O,TP
-CC(N)C,TN
-CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],TP
-c1ccc(cc1)c1ccc(cc1)OCC1OC1,TP
-Nc1sc2c(n1)c(C)ccc2,FP
-Cc1cccc(c1)c1nc2c(o1)cccc2,TN
-CCn1c(N)nc2c1ccc1c2nc(cn1)C,TP
-O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,TP
-O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,TP
-COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,NA
-CCn1c(N)nc2c1ccc1c2cccn1,TP
-FC(OC(C(Cl)F)(F)F)F,NA
-Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,TN
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,TN
-COc1cc(N)cc(c1N)OC,FP
-ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,TN
-CC(Cl)(Cl)C,NA
-CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,FN
-Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,FN
-O=NOC(C)(C)C,TP
-O=Nc1ccc(cc1)O,FN
-NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,NA
-C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,FN
-CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,FP
-OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,TP
-Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,TP
-Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,TP
-CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,TN
-CCNc1cc2oc(=O)cc(c2cc1C)C,TN
-O=NN1CSCC1C(=O)O,TN
-CN(c1ccncc1)C,FP
-Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
-Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,TN
-OC(=O)CS,NA
-CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,FN
-O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],TP
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,TN
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],TP
+CC1=CC(=O)c2c(C1=O)cccc2O,TP
+Cn1cc(cc(c1=O)Cl)C(F)(F)F,TN
+Fc1ccc2c(n1)cccc2,FP
+Nc1cc([N+](=O)[O-])c(cc1F)N,TP
+O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
+BrC[C@H]1CO1,TP
+Nc1ccc2c(n1)n1cccc(c1n2)C,TP
+O=NN(Cc1cccc(c1)OC)C,TP
+CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,NA
+CO/N=C(\c1ccccc1CO)/C(=O)NC,TN
+c1cc2ccc3c4c2c(n1)ccc4ccc3,TP
NC(=O)C[C@H]1CO1,FN
-COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,TP
-O[C@@H](c1ccccc1)C#N,TN
-CC(=O)Nc1ccc2c(n1)cccc2,FP
-OC1=C(C)CCC1=O,NA
-CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,TN
-Clc1cc(Cl)nc(n1)N,TN
-[O-][N+](=O)c1cccc2c1snc2Cl,TP
-CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,FP
-CC(C(=O)NCc1ccccc1)Cl,FP
-OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,NA
-NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,TP
-OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,FP
-C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,FN
-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],TP
-OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,TN
-CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,FP
+O=C1NS(=O)(=O)c2c1scc2,TN
+Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,TP
+CCC(C)(C)C,TN
OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,FP
-Clc1ccc(c(c1)O)Cl,TN
-[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],TP
-CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,TN
-CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,TN
-OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,TN
-C1CC2OC2CCC2C1O2,TN
-O=Cc1cccc2c1nccc2,TP
-[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,TP
-OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O,TN
-Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,TN
-Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,TP
-Nc1ccc(c(c1)C)C,TP
-O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,TN
-OC(=O)c1cc(O)c2c(n1)cccc2,FP
-N#N=NCC(C(C(C(C(=O)O)O)O)O)O,TP
-CCCCN=NC(OO)(C)C,TP
-[O-][n+]1c2ccccc2nc2c1cccc2,TP
-[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,TP
-CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,TP
-COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,NA
-CC([C@](C(=O)O)([C@H](O)C)O)C,TN
-OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,TN
-NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,NA
-Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],TP
-CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,TP
-c1ccc(cc1)c1ccc(cc1)c1ccccc1,FP
-CCCC[C@H](COS(=O)(=O)O)CC,TN
-c1ccco1,TN
-c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,TP
-OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,FP
-CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,TP
-CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,TN
-CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,TP
-Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,TP
-BrC(C(=O)O)Br,NA
-OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,TN
-NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,TP
-C1CCNC(=O)N1N=O,TP
-S=C(Nc1ccccc1)Nc1ccccc1,TN
-CCCC(=O)c1cc(O)c(cc1O)O,FN
-CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,TP
-CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,TN
-CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,FP
-O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,TP
-COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,TP
-O(Cc1cccc2c1cccc2)CC1CO1,TP
-[O-][N+](=O)CCC(=O)O,FN
-[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
-O=c1n(CC2CO2)sc2c1cccc2,FP
-O=CNc1ccc2-c3c(Cc2c1)cccc3,TP
-CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,TN
-Nc1cc([N+](=O)[O-])c(cc1C)N,TP
-Oc1ccc2c(c1N)cccc2,TN
-COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,TP
-OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,TN
-CCn1c(N)nc2c1c(C)cc1c2cccn1,TP
-C[n+]1c2ccccc2cc2c1cccc2N,TP
-ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,FN
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-OS(=O)(=O)c1cccc2c1nccc2,FP
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-NCCCCC(C(=O)O)N,FN
-[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,TP
-COc1ccc(cc1)C(=O)C1OC1c1ccccc1,TN
-FC(C(C(Cl)(F)F)(F)F)Cl,TN
-COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,TP
-O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,NA
-Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,TP
-Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,TP
-CN(N=O)CCCC,TP
-COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,TN
-O=Cc1ccco1,FN
-CCN(C(=N)N[N+](=O)[O-])N=O,TP
-Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,TN
-Oc1cc(Cl)c(c(c1)Cl)Cl,TN
-CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,TP
-ON1CN(Cl)CN(C1)Cl,NA
-CCCC[C@H](C=O)CC,TN
-COC(=O)C1=CCCN(C1)N=O,TP
-OCCN(C(=O)Nc1ccccc1)C,TN
-CCSCCSP(=S)(OC)OC,TN
-O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,TP
-OC(COc1cccc2c1cc[nH]2)CNC(C)C,TN
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-CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,TN
-O=C1C=Cc2c3c1cccc3ccc2,TP
-CCCCCCN(C(=O)N)N=O,TP
-CCOC(=O)C(=C)C,TN
-CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,TN
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],TP
-CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,TN
-N#Cc1ccc(cc1)[N+](=O)[O-],FP
-CC(Nc1ccccc1)C,TN
-O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,TP
-CC(=O)n1cncc1,TN
-O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,NA
-Nc1nc2c(n1C)ccc1c2ccnc1,TP
-O=C/C=C(\CCC=C(C)C)/C,TN
-COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,NA
-c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,TP
-BrC(C1=C(Br)C(=O)OC1)Br,TP
-CC1(CO1)C(=O)N,TP
-c1ccc(cc1)Nc1ccccc1,FP
-OCc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
-Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],FP
-C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],TP
-CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,TN
-ONc1ccc(cc1)N=O,TP
-O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,TP
-ClCC1=C(Cl)C(=O)OC1O,TP
-[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,TN
-[O-][N+](=O)c1c(O)ccc2c1cccc2,FN
-CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,FP
-Nc1[nH]ccc2-c1c1ccccc1n2,TP
-O=NN(CCCC(=O)c1cccnc1)C,TP
-CCOC(=O)C(C(=O)C)Cl,TN
-O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,TP
-C1CCC(CC1)N=C=NC1CCCCC1,NA
-CC1CCC2CC1C2(C)C,TN
-[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,TP
-CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,FP
-C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,TP
-CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,TN
-Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,TP
-CC(Cc1ccc(cc1)C(C(=O)O)C)C,TN
-CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,FP
-Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],TP
-CNCC(c1ccc(c(c1)O)O)O,TN
-Cc1cnccn1,TN
-c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,TP
-c1ccc2c(c1)ccc1c2nccc1,TP
-c1ccc(cc1)Nc1ccc2c(c1)cccc2,FP
-OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,TN
-CNC(=O)N(C(=O)C)O,FN
-Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,TN
-CCC(OC)(C)C,TN
-CC/C=C/C=O,FN
-OCc1ccc(cc1)C,TN
-CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,TP
-CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,TN
-CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,TP
-CCOc1cc(C=O)ccc1O,TN
-CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,TN
-CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,TP
-O=NN1CC(=O)NC1=O,TP
-Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],TP
-OC(=O)CCCCC(=O)O,TN
-C=CCN=C=S,FN
-COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,TN
-COC(=O)CCC(=O)OC,TN
-COc1ccc(cc1)C(=O)/C=C/c1ccccc1,TN
-Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,TN
-OOC(N=NC)(C)C,FN
-O=C(Nc1ccccc1C)CC(=O)C,TN
-CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,TN
-Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,TP
-CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,TP
-CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,TN
-CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,FP
-O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,TP
-O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
-O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,TP
-Brc1cccc(c1)[N+](=O)[O-],TP
-Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,TP
-ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,TN
+OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,TP
+OCC(CBr)(CBr)CBr,TP
+Cl[C@H]1C=C[C@@H]2[C@@H]1[C@@]1(Cl)C(=C([C@@]2(C1(Cl)Cl)Cl)Cl)Cl,TN
+Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,TN
+ClC(C(=O)C(Cl)Cl)Cl,TP
+N#N=NCC(Cn1cnc2c1ncnc2Cl)O,TP
+CNC(=O)Oc1ccc(cc1)c1ccccc1,TP
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,FN
+COC(=O)C(CSCCCl)N,TP
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Cn1c(N)nc2c1cc1ncccc1n2,FP
-COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,NA
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,TN
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,FN
-OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,TP
-COc1ccc(cc1)C(C=C)O,FP
-BrCC(=O)N(Cc1ccccc1)C,FP
-Oc1ccc2c(c1)cccn2,TN
-S=C=S,NA
-CCO[Si](OCC)(OCC)C,NA
-O=CN(c1ccc(cc1)c1ccccc1)O,TP
-OCC1=CCN2[C@H]1[C@H](O)CC2,TN
-CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,TP
-CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,FP
-CCN(C(=O)N)N=O,TP
-[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],TP
-Cc1cccc2c1cc1ccc3c(c1n2)cccc3,TP
-c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,TP
-BrC([N+](=O)[O-])(Br)Br,TP
-OCC1OC(CC1O)n1cnc2c1ncn1c2ncc1,TN
-O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,TN
-NC(=O)OC1CO1,TP
-Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,TN
-[O-][N+](=O)c1cnc(n1C)C,TP
-CCOc1ccc(cc1N)NC(=O)C,TP
-CN(Cc1ccccc1)C,TN
-C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,NA
-CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,TN
-O=C1NCNC(=O)N1,NA
-ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,TN
-CNc1ccc2c(c1C)nc(c(n2)C)C,TP
-ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,TN
-OC1c2cc3ccccc3c3c2c2c1cccc2cc3,TP
-COC(=O)c1oc(c(c1Cl)Cl)N,FP
-C1CC2=CC3C(C=C(C1)O2)O3,NA
-CC[N+](=NC)[O-],TN
-O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,TN
-CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],FP
-c1ccc2c(c1)c1ccccc1c1c2cccc1,TP
-O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,TN
+FC(Oc1ccc(cc1)N)(F)F,FP
+OCC#CCO,NA
+CCC(=O)NCc1ccccc1,FP
+Nc1ccc(c(c1)N)N=Nc1ccccc1,TP
+CC(=O)OCN([N+](=O)[O-])C,TP
+CCCCCCCCCCCCCCCCCCCC,TN
+Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,NA
+OC(=O)c1ccc(cc1)[N+](=O)[O-],TP
+Clc1cc(cnc1CNC(=O)c1c(Cl)cccc1Cl)C(F)(F)F,FN
+CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,TP
+C[C@H]1CC(=O)O1,FN
+Fc1ccc2c(c1)sc(n2)O,FP
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,TP
+CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,TN
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,TP
+ONc1ncnc2c1ncn2C,TP
+CNS(=O)(=O)c1ccc(cc1)N,FP
+Nc1ccc(cc1Cl)NOS(=O)(=O)O,TP
+CCC=O,TN
+CNC1Cc2cccc3c2c(C1)ccc3.Cl,TP
+COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,TP
+Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,FP
+CSCCC=O,TN
+CC(c1ccc(cc1)NC(=O)N)C,TN
+Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,NA
+CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,TN
+[O-][N+](=O)NC(=N)N(N=O)CCCCCC,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TP
+Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,TN
+Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,TP
+N#Cc1cc(c2ccncc2)c(nc1O)C,TN
+O1CCOCCOc2c(OCCOCC1)cccc2,TN
+CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
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+CCOP(=S)(SCSC(C)(C)C)OCC,TN
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+CC(N(C(C)C)N)C,NA
OCc1c(N)cccc1[N+](=O)[O-],TN
-[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],FN
-ClCCOCCCl,TP
-O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],TP
-Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,TP
-[O-][N+](=O)c1cccc2c1nsc2,TP
-[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,FP
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+O=C1C=C(O)c2c(C1=O)cccc2,FP
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+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
+CC(OC[C@@H]1OC1)C,TP
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+OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,TN
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,TN
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+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,TP
+BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,TN
+O=C(C1OC1)NCc1ccccc1,TP
+CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,FP
+COC(=O)C12OC2(C)C(OC1=O)C,TP
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+CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,TP
+CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,TN
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+OCC1OC(CC1O)n1cc(C)c(=O)[nH]c1=O,TN
+BrCc1c2ccccc2c(c2c1cccc2)C,TP
+OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,FP
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+O=C1NC(=O)c2c1cccc2,TN
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CCCCCN1C2C1c1ccccc1-c1c2cccc1,TP
-CCCCN(CCC(=O)C)N=O,TP
-Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
-COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,TP
-[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,TP
-ONS(=O)(=O)c1cccc2c1nccc2,FP
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-O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,TP
-O=NN1CCCC[C@H]1C,TP
-Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,TP
-OCC1OC(C(C1O)O)n1cnc2c1ncn1c2ncc1,TN
-ONc1cc(ccc1C)[N+](=O)[O-],FP
-Cc1cccc2c1nn[nH]2,FP
-[O-][N+](=O)C(C(O)C)C,TN
-CC(=C)OC(=O)C,TN
-NCCNC(=O)c1ccc(cn1)Cl,TN
-CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,TN
-c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,TP
-CC(=O)Nc1cccc2c1-c1ccccc1C2,TP
-Cc1c(C)c(Br)c(c(c1Br)Br)Br,TN
-ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,TP
-ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,TP
-OCC1OC(SC(=S)N(CC)CC)C(C(C1O)O)O,TN
-O=CN(c1ccccc1)O,FP
-CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC,FN
-Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1,TN
-CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@H](C2=CC(=O)C(=C[C@]12C)Br)F)F)C(=O)COC(=O)C,TN
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,TN
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+Oc1ccc2c(c1/N=N/c1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
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+Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,TN
+O=NN(c1ccncc1)C,TN
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+OCC1OC(CC1O)n1cc(I)c(nc1=O)N,TN
+CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,TN
+ClCCOC(=O)Cl,FP
+NS(=O)(=O)c1cccc2c1nccc2,FP
+CCCCC[C@H](OC(=O)c1cccc(c1)C(=O)O[C@@H](CCCCC)CC)CC,TN
+C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,TN
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+N=C(Nc1ccccc1)Nc1ccccc1,TP
+Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
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+CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,TN
+CNC(=O)CSP(=S)(OC)OC,FN
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+OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,TN
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+O=C1CCCN1c1ncc(s1)[N+](=O)[O-],TP
+NCC(=O)Nc1ccccc1,FN
CC(=C)C(=O)OCCO,TN
-OC(COc1cccc2c1OCC(C2)O)CNC(C)C,TN
-Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,FN
-Clc1cccc(c1)c1nc2c(o1)cccc2,TN
-Nc1cccc(c1)O,FN
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-COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
-Fc1cc2cccnc2c2c1cccc2,TP
-N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,TP
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,TP
-CCC(C)C,TN
-[N-]=[N+]=NCCC(C(=O)O)N,FN
-OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C,TN
-NNc1nncc2c1ccnc2,TP
-[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],TP
-Nc1cccc2c1C(=O)c1ccccc1C2=O,TP
-[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],TP
-Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,TN
-Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,TP
-CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,TN
-COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,TP
-O=c1oc2cccc3c2c2c1cccc2cc3,FP
-NC1=N[C@@H](CS1)C(=O)O,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,TP
-Nc1nc2-c3cccnc3CCc2s1,TP
-Nc1c(C)cccc1O,FP
-Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
-[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],TP
-OCCOCCOCCO,FN
-CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,TN
-CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,TN
-CCCCCCCCCCCC(=O)NCCO,TN
-CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,TN
-Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,TP
-CNc1ccc(cc1)N=Nc1ccccc1,FN
-Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,TP
-CN(C(=O)Nc1ccc(cc1)Cl)C,TN
-[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],TN
-CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,TN
-ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,TN
-C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,TN
-ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,FP
-CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,TN
-CN(c1ccc(cc1)/C=C/c1ccccc1)C,FN
-Nc1cc(nn1C)C1CC1,NA
-OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,TN
-OCCCCN(N=O)CC,TP
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-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,TP
-CCOC(=O)C(=C)C#N,TN
-OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],TP
-Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],TP
-CC(N=C=NC(C)C)C,NA
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-c1ccc(cc1)Nc1cccc2c1cccc2,FP
-N#[N+]c1nc[nH]c1C(=O)N,NA
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-Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,TN
-O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,NA
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-CC(=O)c1ccc(c(c1Cl)Cl)Cl,FN
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-OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,TN
-c1ccc2c(c1)cc1c3c2cccc3C=C1,TP
-O=Cc1ccc2c(c1)OCO2,TN
-COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,TP
-CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,FP
-CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,TN
-BrCCCCCCCC(=O)O,FN
-Nc1ccc(cc1F)c1ccc(c(c1)F)N,TP
-O=C(c1ccccc1N)OCCc1ccccc1,TN
-Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,TP
-Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,TP
-OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
+CCC(c1ccc(cc1)C[N+](C)(C)C)CC(c1cccc(c1)C(CC)C)C,TN
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+ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
+Cc1ccc2c(c1)c(N)sn2,TP
+O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,TP
+Cc1nsc(c1)N.Cl,NA
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+OCC(C(C(C1SCCN1N=O)O)O)O,TN
+OC(=O)c1cc(O)c2c(n1)c(O)ccc2,FP
+OCc1ccc(cc1)Cl,TN
+CCNC(=N)N([N+](=O)[O-])N=O,TP
+NC(=O)c1c(F)c(F)ccc1C(F)(F)F,TN
+OCCNc1ccc(cc1[N+](=O)[O-])N,TP
+COC(=O)C(Cl)Cl,FN
+OC(=O)O.[K+].[K+],TN
+OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
+[O-][N+](=O)c1cccc2c1nsc2,TP
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,TP
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+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,TN
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,TN
+Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,TP
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,TN
+Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
+CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,TN
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+ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,TP
OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,TP
-Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,TP
-Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,TN
-Nc1cccc2c1snc2Cl,TP
-c1ccc2c(c1)cc(cc2)OCC1CO1,TP
-O=NN(CCN(C)C)C,TP
-Cc1ccc2-c3c(Cc2c1)cc(cc3)C,TN
-COC(=O)c1ccccc1,TN
-O=NN(Cc1cccc(c1)C(F)(F)F)C,TP
-O=Cc1cccc(c1Cl)Cl,TN
-CCOc1ccc(cc1)NC(=O)N,TN
-OCc1ccc(cc1[N+](=O)[O-])N,TP
-O=CN(c1ccc(c(c1)Cl)Cl)O,TN
-Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,TP
-Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
-O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,TN
-N#N=NCC(Cn1cnc2c1ncnc2Cl)O,TP
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+Oc1ccccc1Cl,TN
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+CC(Cl)Cl,NA
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,TN
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O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,FP
-OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,TP
-[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,TP
-COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,TN
-CCC1OC1c1ccccc1,FP
-CC(Oc1ccc(cc1)Nc1ccccc1)C,FP
-[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,TP
-O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,TP
-[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,TP
-OC(=O)Cc1ccc(c(c1)O)O,FN
-ONC(=O)CNC(=O)c1ccccc1,FN
-FC(=C(F)F)Cl,NA
-CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,TN
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,TP
-O1CCN(CC1)SSN1CCOCC1,TN
-CC(C(=O)N(c1ccc(cc1)Cl)O)C,FN
-OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,FP
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-CCOC(=O)CNC(=O)C=[N+]=[N-],FN
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-C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,TN
-Nc1ccc(cc1)Oc1ccccc1,TP
-NCCCN1CCN(CC1)CCCN,TN
-CCOC(=O)N(C)C,TP
-Cc1cccs1,TN
-Cl[Si](Cl)(Cl)Cl,NA
-CO,NA
-Nc1ccc(c(c1)C(F)(F)F)Cl,FP
-CC=C,NA
-BrCC(=O)Nc1ccc(cc1)C,TN
-CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,TP
-COc1cc(CNC(=O)C(Br)C)ccc1OC,TP
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-[N-]=[N+]=NC[C@H](C(=O)O)N,FN
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-CC(=O)NC(C(=O)O)CSCCCl,TP
-[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],TP
-CCCCCCCCCCCCCCCCCC(=O)O,TN
-[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],TP
-CCc1ccco1,TN
-Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,TP
-OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,TN
-c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,TP
-N#CC(=Cc1ccccc1Cl)C#N,FN
-Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,TN
-ClCCN(P1(=O)OCCC(=O)N1)CCCl,NA
-BrCC(c1ccccc1)Br,FN
-O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,TN
-[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,TN
-Cc1c(N)c(C)c(c(c1C)N)C,FP
-c1ncc[nH]1,TN
-Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,TN
-OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,TP
-BrCC(=O)c1cccc(c1)OC,FP
-O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,TP
-CC(=O)Nc1cccc2c1ncc(c2)F,TP
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-CC(OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
-O=C1C=C(O)c2c(C1=O)cccc2,TP
-O=C1C=C(O)c2c(C1=O)cccc2,FP
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-[O-][N+](=O)c1cc(ccc1C)C(=O)O,TP
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-On1nnc2c1cccc2,TN
-CCc1c(Br)c(Br)c(c(c1Br)Br)Br,TN
-O=C1C=CC(=O)C=C1,TN
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-O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,FN
-O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,TP
-CCCCOCCOCCOCc1cc2OCOc2cc1CCC,TN
-Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,TN
-ClCC(CCl)(CCl)CCl,NA
-OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,FP
-C=Cc1ccncc1,TN
-CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,TN
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-N[C@@H]1CC[C@H](CC1)N,TN
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+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,TN
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[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,TP
-Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@@]1(Cl)[C@@]1([C@@]2(Cl)[C@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,TN
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-CNC(=O)ONC(=O)C,TP
-Cc1ccc(c(c1)N)[N+](=O)[O-],FP
-Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,TP
-Fc1ccnc2c1cccc2,TP
-CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,TP
-Cc1cccc(c1O)C,TN
-COCOC,NA
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-CCOC(=O)CNC(=O)C(Br)(C)C,TN
-Oc1ccc(nn1)O,NA
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-N#Cc1ccccc1C,TN
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-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,TP
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-[O-][N+](=O)c1ccc2c3c1CCc3ccc2,TP
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+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+CCCCCN,TN
+COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,TN
+OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,NA
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+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,TN
+COc1ccc2c(c1)ccc(c2)CCC(=O)C,FP
+COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],TP
+[O-][N+](=O)c1ccccc1C(=O)O,TP
+Cc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,TN
+O=Cc1ccccc1Cl,TN
+Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],TN
+Nc1ccccc1O,TP
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,TN
+Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,FP
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,FP
+OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,FP
+OC(=O)/C=C\C(=O)O.[Na+].[Na+],TN
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
+CC(COC(=O)CCCCC(=O)OCC(C)C)C,TN
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,TN
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,TP
+[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],TP
+OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,TP
+ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,FN
+COC(=O)C(Cc1ccc(cc1)Cl)N,TN
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,TP
+COP(=S)(SCC(=O)N(C=O)C)OC,TN
+COc1ccc(c(c1)O)C(=O)c1ccccc1O,TP
+CC(=CC1C(C1(C)C)C(=O)O)C,TN
+[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,TP
+Nc1[nH]ccc2-c1c1ccccc1n2,TP
+[O-][N+](=O)c1ccccc1N,FP
+O=C(C(C)C)Nc1snc2c1cccc2,TN
+C/C=C\C=C,FP
+CCCCCCCCCCCCCCCCCCO,TN
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,TN
+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,NA
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,FN
+[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,NA
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,TN
+O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,TP
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],TN
+O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,TP
+CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,TP
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+Cc1ccc2-c3c(Cc2c1)cc(cc3)C,TN
+c1ccc(cc1)Nc1ccccc1,FP
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,TP
+ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,TP
+CCc1cccc2c1nccc2,TP
+[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,TP
+Oc1ccc2c(c1)cccn2,FP
+CSCC[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCCNC(=N)N)[C@H](CC)C)C)CCC(=O)N)CO)CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)Cc1ccccc1)CO)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)N)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CO)CO,TN
+Sc1ccc(cc1)[N+](=O)[O-],TP
+Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,FP
+CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,TN
+C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@@]3[C@H]2[C@@H](OC1=O)CC3,TN
+OC(=O)[C@@H]1CSCN1,TN
+N1CC1,FN
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1N3)c2,TP
+O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,TP
+Nc1ccc(cc1)Oc1ccc(c(c1)N)N,TP
+COc1ccc(cc1)CCC1OC1,TP
+CN(CC[C@H](c1ccccn1)c1ccccc1)C,TN
+[O-][n+]1cccc2c1cccc2,FP
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],TP
+OCC([N+](=O)[O-])(CO)Br,TN
+OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,TN
+O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,TN
+OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,TN
+Oc1n(/N=C/c2ccc(cc2)c2ccccc2)nnc2-c1nc1c2cccc1,FP
+CO[C@H]([C@H]1Cc2cc3cc(O[C@H]4C[C@H](O[C@H]5C[C@H](O)[C@H]([C@@H](O5)C)OC)[C@@H]([C@@H](O4)C)OC(=O)C)c(c(c3c(c2C(=O)[C@H]1O[C@H]1C[C@H](O[C@@H]2C[C@H](O[C@@H]3O[C@@H](C)[C@H]([C@@](C3)(C)O)OC(=O)C)[C@@H]([C@@H](O2)C)O)[C@@H]([C@@H](O1)C)O)O)O)C)C(=O)[C@@H]([C@@H](O)C)O,NA
+O=NN(C(C(=O)O)C)CC1(O)CCC(C(C1O)O)O,TN
+COc1c2cc3OCOc3cc2nc2c1cco2,TP
+Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,TP
+[O-]S(=O)(=O)[O-].[Cu+2].O.O.O.O.O,TN
+BrC(=C)C=O,TP
+O=CC1C=COC=C1,NA
+NCCNCC,FP
+CN1CCNCC1,TN
+CCOC1=CC(=O)C(=CC1=O)NC(=O)C,FN
+c1ccc2c(n1)c1[nH]ccc1cc2,FP
+Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,TN
+Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],TP
+ONc1ccccc1c1ccccc1,TP
+Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,TP
+Cc1ccc2-c3c([C@H](c2c1)C)cccc3,TP
+CC(Nc1nc(N)nc(n1)Cl)C,TN
+O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,TN
+ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,TN
+CCOC(=O)CC(C)C,TN
+[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,TP
+CCCCN1C2C1c1ccccc1-c1c2cccc1,TP
+C[C@H](CN)O,FN
+CCCO,TN
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O.[Na+].[Na+],TN
+CN(CCN(c1ccccn1)Cc1ccc(cc1)O)C,TN
+Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+CCCCNCC,TN
+OCC1NC(Cc2c1[nH]c1c2cccc1)C(=O)O,TN
+COc1nsc2c1cc(OC[C@H]1CO1)cc2,TP
Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
-FC(c1ccc(cc1)Cl)(F)F,TN
-O=CC(=O)C,TP
-Clc1ccc(c(c1)Cl)[N+](=O)[O-],TP
-CN(c1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O)C,TN
-CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],TP
-CCCCCCCCCCCCc1ccccc1,TN
-COCN(c1c(CC)cccc1CC)C(=O)CO,TN
-CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,TN
-Clc1cccc(c1)[N+](=O)[O-],FP
-OCc1occ(c(=O)c1)O,TP
-Oc1ccc(cc1)Cl,TN
-O=C([C@H]1O[C@@H]1c1ccccc1)c1ccccc1,FN
-ONc1ccc(cc1)Cl,TN
-O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C,TN
+OCC1OC(OC23CC(C(=O)C3C(C3(C(=C2)C)CC3)(C)O)C)C(C(C1O)O)O,TP
+CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,TN
+Nc1nc2-c3cccnc3CCc2s1,TP
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,TP
+CC(=O)Oc1cccc2c1nccc2,FP
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,TP
+Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,TP
+CC(=O)OCCOCCOCCOC(=O)C,TP
+ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,TP
+NC(C(=O)O)CN=N#N,TP
+N#Cc1ccc(cc1)C,TN
+COc1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-],TP
+OCCN1CN(CCO)CN(C1)CCO,FN
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC,TP
+[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,TP
Clc1cccc2c1oc1c2cccc1,FP
-[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)Cl,TP
-CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,TP
-COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,NA
-O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,TP
-COC(=O)Nc1nc2c([nH]1)cccc2,FN
-ClCc1cccc2-c3c4c(-c12)cccc4ccc3,TP
-CCCN(N=O)CCC,TP
-c1ccc(cc1)CNc1ncnc2c1[nH]cn2,TN
-OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,TP
-CO[C@H]1C[C@H](O[C@H]2[C@@H](C)/C=C/C=C/3\CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](C/C=C/2\C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,TN
-N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,TN
-Clc1cc(N)c(c(n1)C(=O)O)Cl,TN
-COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,TN
-COc1cc(OC)nc(n1)N,TN
-Cn1nnc(n1)c1cnn(c1S(=O)(=O)N)C,TN
-O=C1NS(=O)(=O)Cc2c1cccc2,TN
-COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,TN
-COC(=O)c1ccccc1CS(=O)(=O)N,TN
-CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,FN
-OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1,TN
-Fc1ccc(c(c1)c1ccc(c(c1)Cl)Cl)NC(=O)c1cn(nc1C(F)F)C,TN
-Brc1ccc(cc1)c1ccc(cc1)C(CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1)O,TN
-BrC1COC(C1)(Cn1cncn1)c1ccc(cc1Cl)Cl,TN
-CCCCc1c(C)nc(nc1OS(=O)(=O)N(C)C)NCC,NA
-CCCCc1c(=O)nc([nH]c1C)NCC,TN
-CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C,TN
-CCOP(=O)(SC(CC)C)SC(CC)C,NA
-ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,TP
-Cc1ccc(c2c1cccc2)C,FP
-CC1=CC1,NA
-[O-]C(=O)Cc1cccc2c1cccc2.[Na+],FP
-COC1CC(OC2C(C)C=CC=C3COCC4C3(O)C(C=C(C4O)C)C(=O)OC3CC(CC=C2C)OC2(C3)C=CC(C(O2)C(CC)C)C)OC(C1OC1CC(OC)C(C(O1)C)O)C,TN
-CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,TN
-CCCCCCCCCCCCC1=C(OC(=O)C)C(=O)c2c(C1=O)cccc2,TN
-CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,TN
-CSC(=O)c1cccc2c1snn2,TN
+Nc1ccc2c(n1)[nH]c1c2cccc1,TP
+CCCCN(CCO)N=O,TP
OC(=O)c1cccc2c1snn2,FN
-OC(=O)c1ccc(c2c1snn2)O,TN
-Oc1cc2nnsc2c(c1)C(=O)O,TN
-Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,FP
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,TN
-OC(=O)/C=C\C1C(C1(C)C)C(=O)O,TN
-[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].O.O.O.O.O.O.O.O.O.O.O.O.[NH4+],TN
+O=Nc1cc2OCOc2cc1O,FN
+O[C@@H]1CC[C@]2([C@H](C1)CC[C@H]1[C@H]2CC(=O)[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,TN
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,TP
+ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,TP
+Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,TN
+CN(N=Nc1ccc(cc1)Cl)C,TP
+COC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,TP
+O=Nc1ccc(cc1C)OP(=S)(OC)OC,TP
+[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],TP
+Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,TN
+ONc1cccc(c1C)C,TP
+Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
+BrCCOC(=O)CC(C(=O)OCCBr)O,TP
+COc1cc(/N=N/c2ccccc2)ccc1N,TP
+OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O,TN
+OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,TP
+COc1cc(ccc1/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,TP
+C=CC1CN2CCC1CC2C(c1ccnc2c1cc(OC)cc2)OC(=O)C(O)C,TN
+CCc1ccc(cc1)[N+](=O)[O-],FP
+CC[C@]1(OCCc2c1[nH]c1c2cc(cc1CC)O)CC(=O)O,FN
+CC(=O)Oc1ccccc1C(=O)O,TN
+CCCCN(C[C@@H](CCO)O)N=O,TP
+BrCC(=O)NCc1ccccc1,TP
+ClCCOC(=O)c1[n+]([O-])nnc2c1n(C)c1c2cccc1,TP
+CO[C@H]1C[C@H](OC[C@]2(C)C=CC=C3CO[C@H]4[C@]3(O)[C@@H](C=C([C@H]4O)C)C(=O)O[C@H]3C[C@@H](CC=C2C)O[C@]2(C3)C=C[C@@H]([C@H](O2)[C@H](CC)C)C)O[C@H]([C@@H]1O[C@H]1C[C@H](OC)[C@H]([C@@H](O1)C)O)C,TN
+Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,TP
+[O-][N+](=O)c1ccc2c(c1)cns2,TP
+CNC(=S)N(C)C,NA
+O=C1C(=O)C2(C(C1CC2)(C)C)C,NA
[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3],TN
-P,NA
-[Al]#P,NA
-COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,TN
-COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,TN
-Oc1cc(=O)[nH]c(n1)N,TN
-CCNC(=O)C(OC(=O)Nc1ccccc1)C,FP
-Fc1ccc2c(c1)n(c(c2Br)C)S(=O)(=O)c1ncn(n1)S(=O)(=O)N(C)C,NA
-Cc1c(Br)c2c(n1S(=O)(=O)C1=NN=C[N]1)cc(cc2)F,NA
-CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC,TN
-N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1/C(=C/C(=O)C)/C(=O)O,TN
-OCC(C1OC(=O)C(=C1O)O)O,TN
-C/C=C(/C(=O)OC1CC(OC(=O)C)C2(C3C41COC(C4C(C)(C(C3OC2)O)C12OC2(C)C2CC1OC1C2(O)C=CO1)(O)C(=O)OC)OC(=O)C)\C,NA
-CCCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CC,TN
-COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,TN
-CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C,TN
-COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)OC,TN
-CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],TN
-CC(N1C(=O)c2cccc(c2NS1(=O)=O)O)C,TN
-COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,TN
-COC(=O)C(N(c1c(C)cccc1C)C(=O)CC(=O)O)C,TN
-CC(N(c1c(C)cccc1C)C(=O)CC(=O)O)C(=O)O,TN
-Fc1ccc2c(c1)sc(n2)O,FP
-Fc1ccc2c(c1)sc(n2)C(O)C,FP
-Fc1ccc2c(c1)sc(n2)C(=O)C,TP
-CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,TN
-C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,TN
-O=C1N(OCC1(C)C)Cc1ccccc1Cl,TN
-O=C1NOCC1(C)C,NA
-COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,TN
-COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,TN
-Clc1ccccc1S(=O)(=O)N,TN
-O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,TN
-Clc1ccc(c(n1)C(=O)O)Cl,TN
-CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,TN
-CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,FP
-O=S1CCOC(=C1C(=O)N)C,NA
-OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,TN
-Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,TN
-OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,TN
-Nc1nc(NC2CC2)nc(n1)N,TN
-CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],TN
-Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,TN
-CCNC(=O)NC(=O)/C(=N/OC)/C#N,NA
-O=C1NCC[n+]2c1cccc2,TN
-CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,TN
-CC(=O)O.CCCCCCCCCCCCNC(=N)N,TN
-Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,TN
-COc1c(Cl)cc(c(c1C(=O)O)Cl)O,TN
-N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,TN
-NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,TN
-CCOc1snc(n1)C(Cl)(Cl)Cl,NA
-CCOc1nc(ns1)C(=O)O,NA
-O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,TN
-N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,TN
-NC(=N)c1c(F)c(F)ccc1C(F)(F)F,TN
-NC(=O)c1c(F)c(F)ccc1C(F)(F)F,TN
-O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,TN
-O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,TN
-OC(=O)C1CC1,TN
-OCC1CC1,TN
-CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,TN
-OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,TN
-OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,TN
-Cc1nc(Nc2ccccc2)nc(c1)C1CC1,TN
-Cc1cc(nc(n1)N)C1CC1,TN
-Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,TN
-OCc1nc(N)nc(c1)C1CC1,TN
-Cc1cc(nc(n1)O)C1CC1,TN
-OCc1nc(Nc2ccccc2)nc(c1)C1CC1,TN
-COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,TN
-COCCN(c1c(C)cccc1C)C(=O)CCl,TN
-COCCN(c1c(C)cccc1C)C(=O)C(=O)O,TN
-COCCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],TN
-[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,TN
-COC(=O)CN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],TN
-OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,TN
-COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,TN
-CCOc1cc(ccc1OCC)NC(=O)OC(C)C,TN
-CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,TN
-CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C,TN
-CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,TN
-CO/N=C(\c1ccccc1CO)/C(=O)NC,TN
-[O-]P(=O)=O.[Na+].[Na+],NA
-O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,FP
-Oc1cccc2c1OC(C2)(C)C,TN
-CNC(=O)Oc1cccc2c1OC(C2O)(C)C,TN
-COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],TN
-COc1cc(OC)[nH]c(=O)n1,TN
-COc1cc(=O)[nH]c(=O)[nH]1,TN
-COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,TN
-COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],TN
-COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,TN
-COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],TN
-Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,TP
-Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,FN
-CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,TN
-Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,FP
-Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,FN
-CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,TN
-CCOc1nc(NC(=O)N)nc(n1)NC,TN
-CCOc1nc(NC)nc(n1)N,TN
-CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,TN
-CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,TN
-COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,TN
-CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,TN
-OC(=O)c1ccccc1S(=O)(=O)N,TN
-CCOc1nc(N)nc(n1)N,TN
-CCCSP(=O)(SCCC)OCC,NA
-N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,FP
-COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,TN
-OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,TN
-COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,TN
-COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,TN
-N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,TN
-CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,TN
-Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,TN
-CNC(=O)C1=NN=C([CH]1)Br,NA
-N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,TN
-OCC=C(CCC=C(C)C)C,TN
-CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,TN
-Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,TN
-Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,NA
-Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,TN
-CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,TN
-Nc1cn[nH]c(=O)c1Cl,TN
-Cn1ncc(c(c1=O)Cl)N,TN
-Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,TN
-Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,TN
-O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
-Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,TN
-ClCC[N+](C)(C)C.[Cl-],TN
-COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,FP
-OC(=O)c1ccccc1C(F)(F)F,TN
-NC(=O)c1ccccc1C(F)(F)F,FN
-CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,TN
-OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,TN
-Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,TN
-OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,TN
-OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,TN
-OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,TN
+OC[C@H]1O[C@@H](On2nc(c(c2)C(=O)Nc2ccccc2c2cc(F)c(c(c2)F)F)C(F)F)[C@@H]([C@H]([C@@H]1O)O)O,TN
+O=C(c1cccc2c1oc(c1ccccc1)c(c2=O)C)OCCN1CCCCC1,TN
+ClCCCl,NA
+CN.Cl,NA
+Cc1c(C)ccc(c1C)C,FP
+C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,FP
+CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,TN
+CNC(=O)c1cccnc1S(=O)(=O)N,TN
+O1Cc2c(C1)cccc2,FN
+O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,FN
+CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,FP
+CCOC(=O)CC(=O)CCl,TN
+c1ccc(nc1)c1cccnc1,TP
+Oc1cccc(c1)Cl,TN
+Clc1ccc2c(c1)cc1c(c2)cccc1,FN
+COc1ccc2c(c1)nc([nH]2)N,FP
+CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,TP
+[N-]=[N+]=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,TP
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC)C,FP
+OC1C(O)C=Cc2c1cccn2,FP
+CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,TP
+CCCCOB(OCCCC)OCCCC,TN
+CC(C1c2cc(C(=O)C)c(cc2C(C1C)(C)C)C)C,TN
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,TP
+ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,TN
+OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,TP
+O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,NA
+OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,TN
+Nc1cccc2c1C(=O)c1ccccc1C2=O,TP
+OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,FN
+COC(=O)c1ccccc1N,TN
+COC(=O)C1O/C(=N\O)/C(=C1Cl)Cl,NA
+ClC[C@@H]1[C@H](CCl)[C@@]2(C([C@@]1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,TN
+O=C1C=C(O)c2c(C1=O)cccc2,FP
+CCOCCOC(=O)/C=C\c1ccc(cc1)OC,TN
+[O-][n+]1cnc2c(c1N)[nH]cn2,TP
+CC(CCOC(=O)C)C,TN
+OC[C@@H]1CO[C@H](O1)[C@@H](I)C,TP
+O=Nc1c(C)n(n(c1=O)c1ccccc1)C,FN
+O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,TN
+Cc1ccc2c(c1)c(C)c1c(c2)cccc1,TP
+OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,TP
+c1ccc2c(c1)c1ccccc1c1c2cccc1,TP
+COc1nncc2c1ccnc2,TN
+ONc1cccc2c1cccc2,TP
+OCCc1c(nc(n2c1ncn2)N)c1ccccc1,TN
+CC12OOC2(C)Oc2c1ccc1c2nccc1,FP
+O=NN(C(=O)C)C,TP
+CCOS(=O)(=O)c1ccccc1,TP
+CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,TN
+Nc1cccc2c1snc2Cl,TP
+O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
+[O-][n+]1ncc2c(c1)nccc2,TN
+OCCCCN(N=O)CC,TP
+CC/C=C/1\OC(=O)c2c1cccc2,FN
+CCCCOC(=O)/C=C\C(=O)OCCCC,TN
+CC1c2ccccc2-c2c1cccc2,TP
+O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
+CC(C(=O)N(c1ccc(cc1)Cl)O)C,FN
+[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,TN
+C[C@H](CO)Cl,TP
+CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,TP
+N#N=NCC(C(C(C(CO)O)O)O)O,TP
+Oc1c2ccccc2cc2c1ccc(c2O)O,FN
+[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,TP
+CC(c1ccccc1)Br,TN
+CNc1ccc(cc1)N=Nc1ccccc1,FN
+Clc1ccc(c(c1)N)Cl,FP
+C1CN1c1nc(nc(n1)N1CC1)N1CC1,NA
+Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,FP
+[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,TP
+Brc1ccc(cc1)c1ccccc1,TN
+ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,TP
+COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,TN
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,TN
+Nc1cccc2c1cccc2N,TP
+Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,TN
+Cc1ccc(cc1)C(O)(C)C,FP
+COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,TN
+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,TN
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
+ONC(=O)c1ccc(c(c1)O)O,TP
+Oc1ccc(cc1)c1ccccc1,TP
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,TP
+CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,TN
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,TP
+CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,TN
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,TP
+C=CCN(CC=C)CC=C,TN
+C[C@@H](c1ccccc1)Br,TN
+c1ccc2c(c1)cc1c(c2)cccc1,TP
+Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TP
+CCCNCCC,TN
+Oc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
+CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,NA
+c1cc2ccc3c4c2c(c1)cnc4ccc3,TP
+Nc1cc2ccccc2c2c1cccc2,TP
+O=Nc1ccc(cc1)c1ccccc1,TP
+Nc1cccc2c1nc1CCCCc1c2,TP
+O=Nc1cccc(c1C)[N+](=O)[O-],FP
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,TP
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,FP
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,TN
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,TP
+O=C(C1(C)OC1)Nc1ccccc1,TP
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,TN
+OCC(CBr)(CBr)CO,TP
+BrCCBr,TP
+[O-][N+](=O)c1ccc(o1)CNCCO,TP
+OC1=C(C2=C(O)C(=C(C(=O)C2=O)C)O)C(=O)C(=O)C(=C1O)C,TN
+CCCN(C(=O)SCc1ccccc1)CCC,FP
+OCCSN=O,NA
+Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
+Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,TP
+CCCCCCNCCCCCC,TN
+N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,TN
+[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,TP
+ClCCCC(=O)N(c1snc2c1cccc2)CC,FP
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,TP
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TP
+O=Nc1cccc(c1)c1ccccc1,TP
+O=NN(Cc1cccc(c1)C(F)(F)F)C,TP
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
+CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,FP
+SCc1ccccc1,TN
+[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,TP
+OCc1ccccc1,TN
+c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,TP
+OC(CN=[N+]=[N-])CN=[N+]=[N-],TP
+Clc1cc(Cl)c(c(c1)S(=O)c1cc(Cl)cc(c1O)Cl)O,FN
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,TN
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,TP
+CC(C(=O)N)Br,TP
+O=Nc1ccccc1c1ccccc1,TP
+CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,TN
+Sc1nc2c([nH]1)cccc2,FP
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,TN
+O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,TP
+COc1ccc(cc1)c1c(onc1c1ccc(cc1)OC)CC(=O)O,FP
+O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,FP
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CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,TN
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-[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],FN
-[Cu].[Cu].O,TN
-[O-]S(=O)(=O)[O-].[Cu+2].O.O.O.O.O,TN
-[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2],TP
-[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],TN
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O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,TN
-NC(=O)Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F,TN
-Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,FN
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N,TN
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,TP
+c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,TN
+c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,FP
CNC(=O)Nc1cccc(c1)C(F)(F)F,TN
-[O-]P(=O)(OC)O,NA
-CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,TN
-Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)O,TN
-c1ncn[nH]1,TN
-Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(=O)Cn1cncn1,TN
-Clc1ccc(cc1)Oc1ccc(c(c1)Cl)C(Cn1cncn1)O,TN
-CNC(=O)CSP(=O)(OC)OC,TP
-O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(c(c1F)Cl)F,TN
-Fc1c(N)cc(c(c1Cl)F)Cl,TN
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-[O-]C(=O)C(CCP(=O)(O)C)N.[NH4+],TN
-CC(=O)NC(C(=O)O)CCP(=O)(O)C,FP
-OC(=O)CCP(=O)(O)C,TN
-OC(=O)CP(=O)(O)C,TN
-COc1nc(nc(c1)OC)NC(=O)NS(=O)(=O)c1n(C)nc(c1C(=O)OC)Cl,TN
-OC(=O)c1c(Cl)nn(c1S(=O)(=O)N)C,TN
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-OC(=O)C(c1ccc(cc1Cl)Cl)Cn1cncn1,TN
-OC(=O)Cn1cncn1,TN
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-OC(=O)c1ncc(cc1Cl)C(F)(F)F,TN
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-OC(=O)c1ccc(cc1S(=O)(=O)O)C(F)(F)F,TN
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-O=C1CCCC(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,TN
-OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,TN
-O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,TN
-OCc1c(Cl)c(ccc1S(=O)(=O)C)C(=O)O,TN
-O=C1CCCc2c1c(=O)c1c(o2)c(COCC(F)(F)F)c(cc1)S(=O)(=O)C,TN
-Cn1nc(c(c1)C(=O)Nc1ccccc1c1cc(F)c(c(c1)F)F)C(F)F,TN
-Cn1nc(c(c1)C(=O)O)C(F)F,TN
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-COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)OC,TN
-COc1nc(C)nc(n1)N,TN
-OC(=O)c1sccc1S(=O)(=O)N,TN
-COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,TN
-NC(=O)Nc1nc(C)nc(n1)C(=O)C,TN
-O=C1NS(=O)(=O)c2c1scc2,TN
-Cc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,TN
-COC(=O)c1sccc1S(=O)(=O)N,TN
-[O-][N+](=O)/N=C\1/N(Cc2cnc(s2)Cl)COCN1C,TN
-[O-][N+](=O)NC(=NC)NCc1cnc(s1)Cl,TN
-CN1COCN(C1=N)Cc1cnc(s1)Cl,TN
-COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,TN
-Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,NA
-OC(=O)c1n[nH]c(n1)S(=O)(=O)N,NA
-NS(=O)(=O)c1ncn[nH]1,TN
-Oc1cccc2c1OC(C2O)(C)C,TN
-Clc1ccc(c(c1)Cl)C1(C=CCO1)Cn1cncn1,TN
-N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,TN
-COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,TN
-COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,TN
-OC(=O)CC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,TN
-CC(N1C(=O)SCN(C1=O)c1ccccc1)C,TN
-CC(N(C(=O)NC(C)(C)C)C(=O)Nc1ccccc1)C,TN
+OC(=O)CCCCC1SCC2C1NC(=O)N2,TN
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+CN/N=N/C,NA
+c1ccc(cc1)c1nc2c(o1)cccc2,TN
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+CN(c1c(C)n(n(c1=O)c1ccccc1)C)C,TP
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+Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],NA
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+CCCCN(CCCC(=O)O)N=O,TP
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+O=NN1C[C@H](C)N([C@@H](C1)C)N=O,TP
+Clc1cc(Cl)cc(c1)Cl,TN
+OCCc1sc[n+](c1C)Cc1cnc(nc1N)C,NA
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+CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,FN
+O=c1cc(n(n1c1ccccc1)C)C,FP
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+CC(=O)CCl,TN
+c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,TP
+OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,TP
+Nc1ccc2c(c1)cccn2,FP
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+COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,TP
+OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,FP
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,TP
+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,TN
+O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],TP
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+ClCc1cccnc1,FN
+OCC12COC(N2C(OC1)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],TP
+CN1CCOCC1,TN
+O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,TP
+COc1ccc2c(c1)nc1c(c2OC)cco1,TP
+O=Nc1ccc(cc1)Sc1ccccc1,TP
+Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,TP
+OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1cccc(c1)[N+](=O)[O-],TP
+O=c1cn[nH]c(=O)[nH]1.NCCO,TP
+CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,TP
+Cc1ccc(c(c1)N)C,TP
+BrCC(CBr)Cl,TP
+C1CCC(CC1)[N@@]1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
+O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,FP
+OC(=O)C(CC(=O)c1ccccc1N)N,TN
+O=NN1CCOC(C1)O,TP
+O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,NA
+O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,NA
+N#CC(c1cccc(c1)Oc1ccccc1)O,TN
+O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],TP
+c1ccccc1,TN
+OCCCCCl,FN
+O=CN(c1ccc2c(c1)cccc2)O,TP
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,TP
+Cc1cccc2c1cc1ccccc1c2,FP
+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,TN
+O=C1C(=O)c2c3c1cccc3ccc2,FN
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+CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,TN
+OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],FP
+CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,FP
+CCCCN(CC(c1ccc(cc1)O)O)N=O,FP
+c1ccc2c(c1)snc2,FP
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+CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,TN
+C=Cc1ccc(cc1)C,TN
+OC1C=Cc2c(C1O)cc1c(c2)ccc(c1)[N+](=O)[O-],TP
+CC(=O)N(C)C,TN
+O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,TP
+CC(=O)c1ccco1,FN
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+CCCCCCCCCC=C,TN
+CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,TP
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+O=NN1CCC(=O)NC1=O,TP
+CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,FN
+C=CC(=O)c1ccc2c(c1)OCO2,TN
+O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,FP
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,TN
+C=CC=O,TP
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+Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,TP
+NNC(=O)c1[nH]c2c(c1N)cccc2,TP
+[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,NA
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+CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TP
+Oc1ccc2c(c1)cccc2S(=O)(=O)O,TN
+CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,FP
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+Cc1cc(ccc1N=Nc1ccccc1)N(C)C,TP
+O=Cc1ccc2-c1cc(ccc2C)C(=C)C,TP
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+CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,FP
+ClCc1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
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+CC(CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)C,TN
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+[O-]/[N+](=N\c1ccccc1)/c1ccccc1,FN
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+N#Cc1ccc(cc1)[N+](=O)[O-],FP
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+NC(=NC(=N)N)NCCc1ccccc1,TN
+CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,TP
+Nc1sc2c(n1)c(Cl)ccc2,TN
+Fc1ccc(c2c1nccc2)F,TP
+C1CCC2(CC1)CO2,TN
+CNP(=S)(N1CC1)N1CC1,NA
+CSCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,TN
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,TP
+O=NN(Cc1ccccc1)Cc1ccccc1,FP
+CNC(=O)N(C(=O)NC)O,FP
+O=C(C(Br)C)NC(C)(C)C,FP
+COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,TP
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+Nc1ccc(c(c1)Cl)Cl,FP
+CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,TN
+O=Nc1nccn1C,TP
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+O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,TP
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+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],TN
+COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,TN
+OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,TP
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,TP
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,TP
+CC(=O)OCc1ccccc1[N+](=O)[O-],TN
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,TN
+O=C(c1ccccc1)OOC(=O)c1ccccc1,TN
+OC(c1c(C)cccc1[N+](=O)[O-])O,TP
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,TN
+CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,TN
+COCCOCCOP1(OCCOCCOC)NP(OCCOCCOC)(OCCOCCOC)NP(N1)(OCCOCCOC)OCCOCCOC,TN
+C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,TN
+[O-][N+](=O)C1CCCC1,FN
+Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,FP
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+O=CCC(C)C,TN
+[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,TP
+Cc1cc2-c3ccccc3Cc2cc1C,FP
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+CC1CCCO1,FP
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+O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,TP
CC(NC(=O)Nc1ccccc1)C,TN
-CC(N(C(=S)NC(C)(C)C)C(=O)Nc1ccccc1)C,TN
-OCc1nn(c(=O)n1C(F)F)c1cc(CCC(=O)O)c(cc1F)Cl,TN
-CCS(=O)C(CC(CC(=O)O)CC(=O)O)C,TN
-CCS(=O)(=O)C(CC(CC(=O)O)CC(=O)O)C,TN
-Brc1nn(c(c1)C(=O)N)c1ncccc1Cl,TN
-C[C@H](C(=O)O)Oc1ccc(cc1)Oc1ccc(cc1F)C(=O)O,TN
-C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,TN
-CC(C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(=O)O)C,TN
-[O-][N+](=O)/N=C/1\NCCN1Cc1ccc(nc1)Cl,TN
-CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C,TN
-CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,TN
-CO/N=C(\c1ccccc1COc1ccccc1CO)/C(=O)O,TN
-CO/N=C(\c1ccccc1COc1ccc(cc1C)O)/C(=O)O,TN
-CO/N=C(\c1ccccc1COc1cc(O)ccc1C)/C(=O)O,TN
-CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,TN
-CCC(c1noc(c1)NC(=O)c1c(OC)cccc1OC)(CC)C,TN
-Cc1ccc(cc1)C(N)C,TN
-[O-][N+](=O)NC1=NCC(N1Cc1ccc(nc1)Cl)O,TN
-[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,TN
-[O-][N+](=O)Nc1nccn1Cc1ccc(nc1)Cl,TN
-O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,TN
-CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,TN
-COc1cccc(c1C(=O)N)OC,FP
-O=c1[nH]c2CCCc2c(=O)n1C1CCCCC1,NA
-[O-]S(=O)(=O)[O-].[Fe+2],TN
-CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)O,TN
-CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,TN
-Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@@H]1CC[C@H]2[C@@H]1C(O)(C)C)C(F)F,TN
-Cn1nc(c(c1)C(=O)Nc1cccc2c1[C@H]1CC[C@@H]2[C@H]1C(O)(C)C)C(F)F,TN
-CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,TN
-CC1OC(C)OC(OC(O1)C)C,NA
-Fc1ccc(cc1)NC(=O)c1cccc(n1)Oc1cccc(c1)C(F)(F)F,TN
-O=C(N(C)C)Nc1ccc(cc1)C(C)C,FN
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+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,TP
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,TN
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+c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,TP
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,TN
-CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1,FP
-CCCN(C(=O)SCc1ccccc1)CCC,TN
-COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,TN
-[CH2]OC1C(=C(O)C=C([C]1C(=O)c1c(OC)ncc(c1C)Cl)C)OC,NA
-O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C,TN
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-CCCCCCC(c1cc(cc(c1OC(=O)C=CC)[N+](=O)[O-])[N+](=O)[O-])C,FP
-C[N+]1(C)CCCCC1.[Cl-],TN
-OC1CC[N+](CC1)(C)C.[Cl-],TN
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+OC(=O)COc1ccc(cc1C)Cl,TN
+[O-][N+](=O)c1ccccc1Br,TP
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CNC(=O)O/N=C(/C(=O)N(C)C)\SC,TN
-CN(C(=O)C#N)C,NA
-CCOC(=O)COc1cc(c(cc1Cl)F)c1nn(c(c1Cl)OC(F)F)C,TN
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-CCCn1c(OCCC)nc2c(c1=O)cccc2,TN
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-Cc1cc(C)nc(n1)N,TN
-CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,NA
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-C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,TN
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-O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,TN
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-NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,TN
-COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,TN
-Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,TN
-N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,TN
-N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,TN
-OC(=O)c1cccc(c1)C(F)(F)F,TN
-N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,TN
-N#Cc1ccc(cc1)C(=O)O,TN
-COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,TN
-COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,TN
-COc1nccc(c1S(=O)(=O)O)C(F)(F)F,TN
-COc1nccc(c1S(=O)(=O)N)C(F)(F)F,TN
-Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,TN
-Clc1ccccc1CC(C1(Cl)CC1)(Cn1nccc1S(=O)(=O)O)O,TN
-Clc1ccccc1CC(C1(Cl)CC1)(Cn1nc[nH]c1=O)O,TN
-Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,TN
-CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,TN
-OCC(C1(Cl)CC1)(Cc1ccccc1Cl)O,TN
-COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,TN
-COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,TN
-FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,TN
-FC(COc1cccc(c1S(=O)(=O)NC1=NN=C[N]1)C(F)(F)F)F,TN
-CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,TN
-Clc1nnc(c(c1)O)c1ccccc1,TN
-COc1cc(Cl)nnc1c1ccccc1,TN
-COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,TN
-NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,TN
-FC(CCc1ccccc1S(=O)(=O)N)(F)F,TN
-ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,NA
-O=c1[nH]cc(cc1O)C(F)(F)F,FN
+CCCCCCCCCCCCOS(=O)(=O)O,TN
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+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,TN
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,TP
+CCOP(=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC,TP
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+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],TP
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+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,TP
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+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TN
+CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,TN
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+OC1CC2C(C1(C)CC2)(C)C,TN
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+CCOc1cc(ccc1OCC)NC(=O)OC(C)C,TN
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+CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,TN
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+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,TN
+C=CC(=O)NC(CC(=O)C)(C)C,TN
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+CN(N=Nc1ccc(cc1)C(=O)O)C,TN
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+Nc1ccc2c(c1)cns2,TP
+Nc1cccc2c1c1ccccc1cc2,FP
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+O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,TN
+c1ccc2c(c1)oc1c2cccc1,FP
+CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],TN
+CCc1nn(c(c1Cl)C(=O)N)C,TN
+COc1nncc2c1cncc2,TN
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+CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],TP
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+N#CCc1ccc(cc1)Cl,TN
+[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,TP
+COCCN(c1c(C)cccc1C)C(=O)CCl,TN
+O=CNc1ccccc1,FP
+COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,FP
+CCCc1ccc2c(c1)OCO2,TN
+C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,TN
+CC(CCCCCCCOC(=O)C(=C)C)C,TN
+[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,TP
+O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,TP
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+CCCCCCOC(=O)c1ccccc1,TN
+Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,TN
+ClCc1ccncc1,TN
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+OC[C@H]([C@H](CO)O)O,TN
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+O=CC[C@H](CCC=C(C)C)C,TN
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+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,TN
+CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,TN
+COc1ccc2c(c1)C1CCCCC1C1C2O1,TN
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+CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,TN
+COC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)COCC1OCC(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OC,NA
+CC(c1ccccc1)N(C)C,TN
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+BrC[C@H](c1ccccc1)Br,FN
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+O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,TN
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CCCN(c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-])CCC,FP
-N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,TN
-Cl/C(=C\[C@H]1[C@H](C1(C)C)C(=O)O)/C(F)(F)F,TN
-Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,TN
-NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,TN
-N#CC(c1cccc(c1)Oc1ccccc1)O,TN
-OCc1cccc(c1)Oc1ccccc1,TN
-OC(=O)C(c1cccc(c1)Oc1ccccc1)O,TN
-CC1=NNC(=O)N(C1)N=Cc1cccnc1,TN
-CC1=NNC(=O)N(C1)N,NA
-O=Cc1cccnc1,TN
-O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,TN
-CCCOC(=O)NCCC[NH+](C)C.[Cl-],NA
-CSc1nnc(c(=O)n1N)C(C)(C)C,NA
-O=c1[nH]c(=O)[nH]nc1C(C)(C)C,FP
-NC(C(=O)O)Cc1ncn[nH]1,TN
-CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,TN
-CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,TN
-CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,TN
-CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,TN
+Nc1[nH]c(=O)c2c(n1)[nH]nn2,TN
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+CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,TN
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+CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,TN
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+CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,TN
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+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],TP
+Cc1cccc(c1N)C,FP
+COC(=O)C(Cl)C,FN
+OC(=O)[C@H](CC[S@](=O)(=N)C)N,TN
+O=C1N(OCC1(C)C)Cc1ccccc1Cl,TN
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+OCCCCN(N=O)C,TP
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,TN
+COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,TN
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+ClCc1ccc(cc1)OC(=O)C,FN
+CNC(=O)ON(C(=O)NC)C(=O)NC,FP
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+O=CC1=CC[C@H](CC1)C(=C)C,TN
+CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],TN
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+ClC(=O)C(Cl)Cl,NA
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+ClOCl.[Cu+2],FN
+OC1C=Cc2c(C1O)nccc2,TN
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+CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],FP
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+ClCCN(C(=O)NCC(=O)N)N=O,TP
+COc1nc2c(CBr)cccc2nc1OC,TP
+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,TN
CNc1nc(C)c(c(n1)O)C,TN
-CN(c1nc(C)c(c(n1)O)C)C,TN
-CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,FN
-O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,TN
-N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,TN
-OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,TN
-CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,NA
-CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,TN
-CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,NA
-CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,NA
-Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,TN
-Clc1ccc(cc1)CNC1CCCC1,TN
-Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,TP
+COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,TP
+CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,TN
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+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)N2N1C(=O)c2c(C1=O)cccc2)C)C,TP
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)c2ccccc2cc1C,TP
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+Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,TP
+OC(=O)C[C@@H](C(=O)O)Cl,TN
+ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,TN
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+N#N=NCCC(C(=O)O)N,FN
+O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,TN
+CC(=C)C(=O)O,TN
+Clc1cc(Cl)c(c(c1Cl)Cl)Cl,TN
+CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,TP
+Fc1ccc2c(c1)nccc2,TP
+CN(CCN(C)C)C,TN
+O=Cc1cccc(c1)[N+](=O)[O-],TP
+CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,TN
+ClCCSCCCl,TP
+Cc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,TP
+[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
+Cc1cc2c(c3c1ncc(n3)c1ccccc1)nc(n2C)N,TP
+ClCCN(C(=O)NCc1cnc(nc1N)C)N=O,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,TP
+N#Cc1ccccc1Oc1ncnc(c1)Oc1ccccc1C(=O)O,TN
+CCCCCCCCCCCCCCCCCCN,TN
+[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],TN
+COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ncc(c1C)Cl)C,FP
+Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,TN
+Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,TP
+ONc1ccc(cc1)/N=N/c1ccccc1,TP
+Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],TP
+Nc1ccc2c(n1)cccc2,TP
+NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,FN
+Nc1ccc(c(c1)Cl)C.Cl,FP
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,TP
+Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,TN
+C1CNCCO1,TN
+OC[C@H]1O[C@H]2[C@H]([C@@H]1O)Oc1n2ccc(=N)n1,TN
+CC(=C)C1CCC2(C(C1)O2)C,TN
+CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,TN
+[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,TP
+CC(=O)Cl,FP
+Nc1ccc2c(c1)oc(=O)cc2C,TN
+Cc1cccc2c1-c1cc3ccccc3cc1C1C2N1,TP
+NC1CCCCC1,TN
+Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,FN
+O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,FN
+CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,TN
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+Clc1ccc2c(c1)nc([nH]2)C,FN
+Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,TP
+O=C(Nc1ccccc1)Nc1ccccc1,TN
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSC(=O)c1ccco1,TN
+COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,TP
+CC(CCOC(=O)/C=C\c1ccccc1)C,TN
+CCNc1nc(NC(C)C)nc(n1)Cl,TN
+COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,TP
+CCc1ccnc2c1cccc2,FP
+Clc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
+O=c1[nH]c(=O)[nH]c(=O)[nH]1,TN
+OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,TP
+CC(=O)Nc1cccc2c1-c1ccccc1C2,FN
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+O=NN(C(=O)N)CCC[C@H](C(=O)O)N,TP
+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,FP
+OC(=O)c1ccccc1.[Na+],TN
+Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,TP
+NC(=O)N/N=C/C(=O)O,TN
+CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,TN
+Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,TN
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+N#Cc1ccccc1[N+](=O)[O-],FP
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+O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,FP
+OC(=O)c1cc(O)c(c(c1)O)O,TN
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+Nc1sc2c(n1)cc(c(c2)C)C,TP
+CCN(C(=S)SCC(=C)Cl)CC,FN
+OC(=O)COc1nc(Cl)c(cc1Cl)Cl,TN
+COP(=O)(Oc1c(Cl)cc(cc1Cl)C)OC,TN
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,TN
+OC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],TP
+CCCCCCCCCCCC(=O)C,TN
+O=Cc1ccc(cc1)C,TN
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](c1ccccc1)O,TP
+Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,FP
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+COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,TN
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CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,TP
-OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,TN
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-[O-]P([O-])[O-].[K+].[K+].[K+],NA
-[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],NA
-OP(O)O,NA
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+NC(C(=O)O)CSC(C(Cl)F)(F)F,TN
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CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,TN
-N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,TN
-ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
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-O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,TN
-[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
-O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,TN
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-O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
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-O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,FN
-O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,TN
-OC(=O)c1ccc(cc1N)S(=O)(=O)C,TN
-[S-]C(=S)NC.[Na+],NA
-CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,FP
-OC(=O)C(Oc1cccc2c1cccc2)C,FP
-CC1=CC[C@@H](CC1)C(=C)C,TN
-CNC(=O)Nc1ccc(cc1)C(C)C,TN
-COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,TN
-COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,TN
-COC(=O)c1ccccc1S(=O)(=O)N,TN
-COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,TN
-CN(C(=O)c1cccnc1S(=O)(=O)N)C,TN
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-COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,TN
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-CCNc1nc(Cl)nc(n1)NC(C)(C)C,TN
-Nc1nc(nc(n1)O)NC(C)(C)C,TN
-CCNc1nc(O)nc(n1)NC(C)(C)C,TN
-Nc1nc(nc(n1)Cl)NC(C)(C)C,TN
-Oc1nc2NC(C(n2c(=O)n1)O)(C)C,TN
-CC(Nc1nc(O)nc(n1)O)(C)C,TN
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-CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,TN
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-CNC(=O)Nc1ccc(cc1)Br,TN
-NC(=O)Nc1ccc(cc1)Br,TN
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-[O-]Cl.[Na+],NA
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-O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,TN
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N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,TN
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-[O-][N+](=O)c1ccccc1[O-].[Na+],FP
-[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],TN
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-O=C1NC(=O)N[C@@]1(C)c1ccccc1,TN
-O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,TN
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-CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,TN
-CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,TN
-O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,TN
-O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,TN
-O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,TN
-N#CCNC(=O)c1cnccc1C(F)(F)F,TN
-OC(=O)c1cnccc1C(F)(F)F,TN
-NC(=O)c1cnccc1C(F)(F)F,TN
-O=C(c1cnccc1C(F)(F)F)NCC(=O)O,TN
-O=C(c1cnccc1C(F)(F)F)NCC(=O)N,TN
-Oc1ncc(c(c1)C(F)(F)F)C(=O)O,TN
-CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,NA
-CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,TN
-CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,TN
-CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,TN
-Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,TN
-Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,NA
-C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,NA
-Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,TN
-OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,TN
-OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,FN
-N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,TN
-NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,TN
-CC(c1ccc(nc1)C(F)(F)F)O,TN
-CCc1ccc(nc1)C(F)(F)F,TN
-CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,TN
-CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,TN
-ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,TN
-CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,TN
-c1coc(c1)c1nc2c([nH]1)cccc2,FP
-CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,TN
-CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,TN
-CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,TN
-[O-]P(=O)([O-])[O-].[Fe+3],NA
-Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,TN
-CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,TN
-Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,TN
-C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,TN
-C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,TN
-O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,TN
-O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,TN
-O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,TN
-OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,TN
-C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,TN
-O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,TN
-O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,TN
-N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,TN
-Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,TN
-Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,TN
-COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],TN
-COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,TN
-COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,TN
-OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,TN
-COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,TN
-CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
-Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,TN
-O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
-CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,TN
-O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,TN
-OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
-Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,TN
-CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,TN
-O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,TN
-N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
-N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
-N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
-N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
-N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
-OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
-NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
-Cc1cc(=O)[nH]o1,NA
-OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,TN
-Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,TN
-C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,FP
-Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,FP
-OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,TN
-COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,TN
-O=c1[nH]cc(cc1Cl)C(F)(F)F,TN
-Cn1cc(cc(c1=O)Cl)C(F)(F)F,TN
-COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,TN
-Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,TN
-CNc1nc(OCC(F)(F)F)nc(n1)N,TN
-FC(COc1nc(N)nc(n1)N)(F)F,TN
-O=C1NS(=O)(=O)c2c1cccc2C,TN
+CC(C(=O)NCc1ccccc1)NCc1ccccc1,FP
+NC(C(=O)O)COC(=O)/C=N#N,FN
+N[C@H](C(=O)O)CSCc1ccccc1,FP
+C=C[C@H]1CO1,TP
+C/C=C/c1cccc(c1OC)OC,FN
NCP(=O)(O)O,TN
-CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,TN
-OC(=O)C(F)(F)F,NA
-CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,TN
-OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,NA
-Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,TP
-C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,TN
-COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,TP
-N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,TP
-CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,TN
-CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,TN
-F[C@H](C(C(Cl)(F)F)(F)F)Cl,TN
-Nc1cc(N)c(cc1/N=N/c1ccccc1)C,TP
-Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,TP
-C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,TN
-OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,TN
-OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,TN
-C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,TN
-OC(=O)CC[C@@H](C(=O)O)N.[K+].O,TN
-Cc1nccc2c1[nH]c1c2cccc1.Cl,TP
-O=NN1CCO[C@H](C1)O,TP
-O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,TN
-COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,TP
-CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,TN
-CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,TP
-CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,TP
-O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,TP
-C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,TN
-CCCC[C@H]1CO1,TN
-O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,NA
-COc1ccc(cc1N)N,TP
-OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],TN
-[O-][N+](=C1CCCC1)[O-],NA
-CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],TN
-O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,TP
-O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,TN
-OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,TN
-NCC[C@H](N)C,TN
-Nc1nc(C)c2c(c1)[nH]c1c2cccc1,TP
-OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,TN
-C/C=C/C=O,TP
-Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,TP
-CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,TP
-CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],FP
-O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,TP
-c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,TP
+[O-][N+](=O)c1ccc(cc1)c1ccccc1,TP
+Nc1ncnc2c1nc(n2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],TP
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,TN
+Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O,TN
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,TP
Nc1ccc(c(c1)C)N,TP
-COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,TP
-CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,TP
-O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,TN
-O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],TN
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,TN
-c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,TP
-Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,TP
-OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,NA
-OC(=O)C[C@H](C(=O)O)O,TN
-C=CCc1ccccc1OC[C@@H](CNC(C)C)O,TN
-O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,NA
-OC(=O)/C=C\C(=O)O.[Na+].[Na+],TN
-COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],TP
-CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,FP
-ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,TN
-c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
-O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],TP
-Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,TP
-O(C[C@@H]1OC1)CCOC[C@@H]1OC1,TP
-OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
-N#CC(/N=N/C(C#N)(C)C)(C)C,NA
-CCC(=O)O.[Na+],TN
+OC1C=Cc2c(C1O)c1ccccc1c1c2cc2ccccc2c1,TP
+O=NN(c1ccccc1)c1ccccc1,TN
+[O-][N+](=O)c1ccc(cc1)COc1ccccc1,TN
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],TN
+Cc1cscc1,TN
+O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,TN
+CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,TN
+O(Cc1ccccc1)C[C@H]1OC1,TP
+CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],TP
+Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
+O=NN1CCNCC1,TP
+Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,TP
+Clc1ccc(cc1)CO/N=C/c1c(C)n(c2c1cc(cc2)[N+](=O)[O-])Cc1ccccc1,FP
+O=C/C=C/c1ccccc1[N+](=O)[O-],FN
+CCCC(=O)OCCC(C)C,TN
+Cn1cnc(c1Sc1ncnc2c1nc[nH]2)[N+](=O)[O-],TP
+O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,TP
+Cc1c2ccccc2cc2c1cccc2,TP
+OC(=O)c1cccc(c1)C(=O)O,TN
+CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,TN
+COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,FN
+CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,TN
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],TP
CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,TP
-Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,NA
-Cl[C@H]1O[C@H]1CBr,TP
-CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,TN
-CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,NA
-CCOS(=O)(=O)C,TP
-OC(=O)[C@H](CC[S@](=O)(=N)C)N,TN
-[N-]=[N+]=CC(=O)NCC(=O)NN,TP
-CC(=O)Nc1cccc(c1)N,TP
-Nc1cccc(c1C)N.Cl.Cl,TP
-OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,TN
-[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,TP
-COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,TP
-CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,TP
-ClC/C=C/Cl,TP
-Nc1ccccc1c1ccccc1.Cl,TP
-N[C@H](C(=O)O)CS/C=C/Cl,FP
-CNC1Cc2cccc3c2c(C1)ccc3.Cl,TP
-c1ccc2c(n1)[C@@H]1O[C@@H]1[C@@H]1[C@H]2O1,TN
-CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,TP
-[O-][N+](=O)c1cccc2c1[nH]nc2,TP
-OC(=O)c1cc2ccccc2cc1O,FP
-O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,TN
-N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,TN
-NC(=O)Nc1cc(ccc1O)[C@@H](CNC(C)(C)C)O.Cl,TN
-O=CC(=C(C)C)Cl,TP
-OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,TN
-[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],FP
-Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,TP
-c1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
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-ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,TP
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-[O-][N+](=O)[C@@H](CC)C,TN
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O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,TN
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-O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,TN
-OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,TP
-CCCCCCCCCCSCn1cc[n+](c1)C.Cl,FN
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-CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,TN
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-[O-][N+](=O)CC,FP
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-Nc1ccc(cc1)Cl.Cl,TP
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-O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,TN
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-O=C([C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CS(=O)(=O)C(C)(C)C)Cc1ccccc1)N[C@H]([C@H]([C@H](C1CC1)O)O)CC1CCCCC1,TN
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-O=CCC=O,NA
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CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
-O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,TN
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+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,TN
+c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,TP
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,TN
+O=Nc1ncn(c1c1ccccc1)C,TP
+C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,TP
+CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,TN
+COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,NA
+CCOC(=O)[C@@H](C(=O)C)Cl,TN
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],TN
+Oc1cccc2c1nccc2,FN
CCN(c1ccc(c(c1)O)N=O)CC.Cl,TN
-C[C@@H](c1ccccc1)Br,TN
-COc1cc(CNC(=O)[C@H](Br)C)ccc1O,TP
-OC(=O)c1ccccc1.[Na+],TN
-OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,TN
-Cc1ccc2c(-c3ccccc3[C@H]2C)c1,TP
-O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,TN
-CC[C@H]([C@@H](N(C(=O)[C@@H](C(C)C)NC(=O)[C@H](N(C)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C(=O)N[C@@H](c1nccs1)Cc1ccccc1)C)OC)OC)C,NA
-[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
-O=c1cn[nH]c(=O)[nH]1.OCCNCCO,TP
-CNC[C@H](c1ccc(c(c1)O)O)O.Cl,TN
-CC(=O)Nc1ccc(c2c1c(O)c(/N=N/c1ccc(c3c1cc(cc3)S(=O)(=O)O)/N=N\c1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],TN
-Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,TN
-c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,TP
-BrC[C@H](c1ccccc1)Br,FN
-CCC/N=N/O.[K+],TP
-NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,TN
-OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
-CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,TP
-c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,TP
-OOCc1cn([C@H]2C[C@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,FN
-OCC[C@H](CCC=C(C)C)C,TN
-C[C@H]([C@@H](CBr)Br)Cl,TP
-Oc1nc(=O)n(c(=O)n1Cl)Cl.[Na+],TN
-COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,TP
-CS(=O)(=O)O.CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC,TP
-COC(=O)[C@@H](NC(=O)C)CSC[C@H](Br)C,TP
-O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,TN
-ClCC(=O)NCc1ccccc1,TP
-Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,TP
-O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,TP
-C[C@H](C(=O)NCc1ccc(cc1)Cl)Br,TP
-OS(=O)(=O)O.CN[C@H]([C@@H](c1ccccc1)O)C.CN[C@H]([C@@H](c1ccccc1)O)C,TN
-O=C(OC(C)(C)C)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,TP
-Cc1ccc(cc1)C[C@@H]1OC1,TP
-COc1cc(N)ccc1N,TP
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2nccc1,TP
-C[C@H](C=O)CC,TN
-OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,TP
-OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,TN
-OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],TP
-CCCCCCCC/C=C/CCCCCCCC(=O)O.NCCO,TN
-OC(=O)[C@@H]1CSSC(C(=O)N1)(C)C,TN
-CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,TP
-CCCCCCCOc1ccccc1NC(=O)O[C@@H](CN(CC)CC)C.Cl,TN
-COc1ccc(cc1)N.Cl,TP
-O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,TN
-O=C1CC[C@H](C(=O)N1)N1C(=O)c2c(C1=O)cccc2,TN
-CN(c1ccc(cc1)/N=N/c1cccnc1)C,TN
-N[C@H](C(=O)O)CCCCNC[C@@H](C(=O)O)N,TN
-COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1C[C@@H]2[C@]3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,NA
-OC(=O)CCC(=O)O.[Na+].[Na+],TN
-O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4O)C,TN
-Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,TP
-Nc1ncnc2c1nc[nH]2,TP
-C1CCCCC[C@H]2[C@H](CCCC1)O2,TN
-C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,TN
-O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,TP
-CN[C@@H](C(=O)N([C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)[C@H](c1ccc(cc1)O)C(=O)N)CC(=O)O,TN
-N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,TN
-Nc1nc(N)c2c(n1)[nH]cn2,TN
-OC(=O)[C@@H]1N[C@@H](c2ccccc2)c2c(C1)c1ccccc1[nH]2,TN
-CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,TN
-O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,TN
-O=C/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,TP
-[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,TP
-Cc1cccc(c1)N.Cl,FP
-O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C,TN
-CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,TP
-O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,FP
-ClCCNCCCNc1c2ccccc2nc2c1ccc1c2nccc1.Cl.Cl,TP
-CC(=C[C@H]1[C@H](C1(C)C)C(=O)O)C,TN
-Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@]1(O)C=CO[C@@H]1O2)CCC(O)(C)C,TP
-Cc1ccc(cc1)/N=N/N(C)C,TP
-COc1ccc(cc1)C[C@@H]1OC1,TP
-COc1cc(CNC(=O)[C@H](Br)C)ccc1OC,TP
-n1ccc(cc1)c1ccncc1,FN
-O[C@@H]1OC(=O)C=C1CCl,TP
-Cc1cccc2c1-c1ccccc1[C@@H]2C,TP
-O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,TP
-Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,TN
-OC[C@H]1O[C@H](C[C@H]1O)n1cc(CC)c(=O)[nH]c1=O,TN
-OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,TN
-CCNCC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C.Cl,TN
-C=C[C@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Cl.Cl,TN
-OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,TP
-CC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,TP
-CC[C@H](OS(=O)(=O)C)C,TP
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccc3c(c2c1)cccc3,TP
-COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,NA
-Oc1ccc2c(c1/N=N/c1ccc(cc1)S(=O)(=O)O)ccc(c2)S(=O)(=O)O.[Na+].[Na+],TN
-N#[N+]c1cccc2c1C(=O)c1c(C2=O)cccc1.Cl,TP
-c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,TP
-OCCNC(=O)[C@H](O)C,TP
-O=CC[C@H](CCC=C(C)C)C,TN
-Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,TN
-COc1cc2-c3c4OCOc4cc4c3[C@@H](Cc2cc1OC)N(C)CC4,TP
-Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,TN
-C1C[C@@H]2O[C@H]2CC[C@@H]2[C@H]1O2,TN
-ONc1ncnc2c1nc[nH]2,TP
-N#C/C=C/C#N,TN
-OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,NA
-Nc1cccc2c1cccn2,TP
+OCCCCCCC/C=C/C=C/C,TN
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,TP
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],TP
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,TP
+OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,FN
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,TP
+OCC12OOC2(CO)Oc2c1cccc2,FP
+OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,FP
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],TP
+[O-][N+](=O)c1c(N)cccc1O,FP
+CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,FP
+CCc1ccc(nc1)C(F)(F)F,TN
+O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,TN
+Oc1nnc(c(n1)O)C,FP
+O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,FN
+CCN(C(=O)Cc1ccccc1)CC,TN
+C[n+]1c2ccccc2cc2c1cccc2,TP
+C[C@@H](c1ccccc1)CCc1ccccc1,TN
+CCCCCCCCCCC(=O)C(=O)c1ccccc1C(=O)O,TN
+O=C1C=C(N)c2c(C1=O)cccc2,TP
+Oc1ncnc(c1)O,TN
+CNc1ccccc1N,TP
+Nc1cc2ccc3c4c2c(c1)ccc4ccc3,TP
+OCC1OC(OC2C(O)CC3(C(C2(C)C(=O)O)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)C(C(C1O)O)O,TN
+OCNc1ncnc2c1ncn2C1OC(C(C1O)O)CO,FN
+OC(CC(CC(=O)O)O)CCn1c(C(C)C)c(c(c1c1ccc(cc1)F)c1ccccc1)C(=O)Nc1ccccc1,TN
+Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],TN
+O=NN(Cc1cccc(c1)C)C,TP
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,TN
+ClCCC(=O)N(c1snc2c1cccc2)CC,FN
+Nc1ccc(cc1C)NOS(=O)(=O)O,TP
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,TP
+c1cc(cc(c1)c1ccccc1)c1ccccc1,FP
+COc1ccc(c(c1)OC)N,TP
+O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,TP
+C=CCOC(=O)C=C,TN
N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,TP
-COc1ccc(cc1)CC[C@@H]1OC1,TP
-Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,TN
-O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,TP
-CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,TP
-ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,TP
-COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],TP
-CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,TP
-O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,TP
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,TP
-O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,TP
-C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],NA
-S=C=NCCc1ccccc1,FN
-CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,TP
-CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,TN
-CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,TN
-C=C1CC[C@H]2C[C@@H]1C2(C)C,TN
-C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,TN
-OC/C(=C(/CO)\Br)/Br,NA
-O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,TP
-O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,FP
-N#Cc1ccc(cc1)[C@]1(C)OC1,TP
-CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,TP
-OC/C=C/Cl,TP
-Cn1sc(cc1=O)Cl.Cn1sccc1=O,TP
-c1ccc2c(c1)c(OC[C@H]1CO1)ns2,TP
-CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,FP
-O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,TP
-CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,TP
-O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,TP
-CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,TN
-CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,TP
-CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,TN
-O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,FN
-Nc1ccc(c(c1)N)C,TP
-COc1nsc2c1cc(OC[C@H]1CO1)cc2,TP
-Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],TN
-Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
-[N-]=[N+]=CC(=O)NCC(=O)N,TP
-N#Cc1cc(c2ccncc2)c([nH]c1=O)C,TN
-CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,TN
-OC(=O)COc1ccc(cc1Cl)Cl.CNC,TN
-OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],TN
-COc1cc(ccc1OC)Cc1cnc(nc1N)N,FN
-CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,FP
-CCOCCOC(=O)/C=C/c1ccc(cc1)OC,TN
-C[C@@]1(CO1)[C@H]1CO1,TP
-NC(=O)[C@H]1CO1,TP
-NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,NA
-Cl[C@@H](c1ccccc1)C(=O)Cl,TP
-Nc1ccc(cc1)/N=N/c1ccc(cc1)N,TP
-OC/C=C(\CCC=C(C)C)/C,TN
-Clc1ccc(c(c1)C)N,TP
-OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,TP
+O=C1NS(=O)(=O)Cc2c1cccc2,TN
+Cc1ccc2c(c1)cccc2,FP
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,TP
+[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,TP
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,TN
+Cc1ccc2c(c1)nc([nH]2)N,TP
+O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,TP
+CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],TP
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,TN
+BrCCOC(=O)C(=O)OCCBr,TP
+FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,TP
+COc1cc(N)cc(c1N)OC,FP
+N#C/C=C\C#N,TN
+[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,TP
+CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C.[Na+],TN
+[O-][N+](=O)c1ccccc1C(=O)N,TP
+O=C(c1ccccc1NS(=O)(=O)O)N(C)C,TN
+CC1=CC(C)(C)Nc2c1cccc2,TN
+SCC(C(=O)O)NC(=O)C(SC)(C)C,TN
+O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,TP
+CCC/C=C(/C=O)\CC,TN
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Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,TN
-BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,TN
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-OCCCCCl,FN
-Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,TP
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CSC(/C=N/O)(C)C,TN
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-OC(=O)CCC(=O)O.[Na+],TN
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+ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,FN
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+OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,TN
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+COc1cc2c(cc1OC)nc1c(c2O)cccc1,TP
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+Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,TN
+OCC1OC(CC1O)n1ccc(=O)[nH]c1=O,TN
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+CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],NA
+CC(=O)N/N=C/c1c[n+]([O-])c2c([n+]1[O-])cccc2,TP
+CCOC(=O)C(=O)C,TN
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+Oc1cccc(c1)O,TN
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+CCCCN(CCC(=O)O)N=O,TP
+CCCC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)C)O,TN
+CCCN(CCCC(=O)O)N=O,TP
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+CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,TP
+CCCCOP(=O)(OCCCC)OCCCC,TN
+CC(C1=CC(=O)C(=CC1=O)C)C,TN
+BrC(C1=C(Br)C(=O)OC1O)Br,TP
+O=C1NC(=O)C(=C1Cl)Cl,NA
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+CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,TN
+O=NN1CCc2c(C1)cc(c(c2)OC)OC,FN
+C1CCCN1,TN
+O=C1OC(=O)c2c1cccc2,TN
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,TP
+ClC/C(=C(\C(=O)O)/Cl)/C=O,FN
+CCCCCCCCCCCC=C,TN
+CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,TN
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+COc1ccc(cc1)C(=O)C1OC1c1ccccc1,TN
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+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,TN
+NC(=O)c1c(Cl)ccc(c1Cl)O,TN
+O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],FP
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+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,NA
+COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,TP
+COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,TN
+CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],TP
+C=CC(=O)NCNC(=O)C=C,FN
+OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,TN
+Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,TN
+CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,TN
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,TN
+N1[C@H]([C@H]1c1ccccc1)c1ccccc1,TP
+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,TP
+Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],TP
+Cc1cc(=O)[nH]c(=S)[nH]1,NA
+CNC(=O)Oc1cc2ccccc2c2c1cccc2,TP
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,TN
+OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,TP
+Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,TP
+Nc1nc2c(s1)ccc1c2cccn1,TP
+Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,TP
+Nc1nc(nc(n1)Cl)NC(C)(C)C,TN
+OC(=O)C1=NN(C(=O)[C@H]1/N=N/c1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O.[Na+].[Na+].[Na+],TN
+O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,TN
CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,TN
-O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,FP
-CC(C[C@@H]1NC(=O)CNC1=O)C,TN
-CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,TN
-ClNc1nc(NCl)nc(n1)NCl,NA
-C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,FP
-COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,TP
-Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,TP
-OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,TN
-OC(=O)/C=C/C(=O)O,TN
-O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,NA
+CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,TN
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,TN
+CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
+ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],TP
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,TP
+Br[C@@H](C=O)CBr,NA
+CNC[C@@H](c1cccc(c1)O)O.Cl,TN
+CCCCC=O,TN
+COC(=O)c1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)Cl,FP
CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,TP
-COc1nsc2c1cccc2OC[C@H]1CO1,TP
-CNNC,NA
-[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
-N#C[C@@H]1COCC[N@]1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,FP
-C[C@@H](c1ccccc1)N(C)C,TN
-OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,FP
-CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,TN
-COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,FP
-C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
-O=C1CC[C@H](N1C)c1cccnc1,TN
-CCCCC/C=C/C=C/C=O,FP
-Clc1ccc(cc1)C[C@@H]1OC1,TP
-C/C=C/C=C/C(=O)O.[K+],TN
-O=C/C=C(/CCC=C(C)C)\C,TN
-c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,TP
-CN(c1ccc(cc1)/N=N/c1ccccc1)C,TP
-OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],TN
-O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,TN
-Cc1cccc2-c3c([C@H](c12)C)cccc3,TP
-SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,TN
-Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,TN
-CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,FP
-O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,FP
-Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,TP
-COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,TN
-NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,TN
-CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,TN
-Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,FP
-O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,TN
-CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,TN
-O=C/C=C/c1ccco1,TN
-CCCCCCCCCCCCCCCCCC(=O)O.[Li+],TN
-COc1cc2O[C@@H]3[C@@H](c2c2c1c1CCC(=O)c1c(=O)o2)[C@@H]1[C@H](O3)O1,TP
-Cc1ccccc1/N=N/c1c(O)ccc2c1cccc2,TP
-CCCC[N+](=O)[O-],TN
-[O-][N+](=O)c1nc[nH]c1c1ccccc1,TP
-N[C@H](C(=O)O)CSCCCl,TP
-OC(=O)O.[Ca+2],TN
-OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,FN
-Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,FN
-O[Cl](=O)(=O)=O.CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,TP
-O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O.[Na+].[Na+],TN
-C=CC(=O)OCCOC(=O)C=C,TN
-O[C@H]1[C@H](O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],TP
-C/C=C/C=C/C=O,TP
-CC(=C/C(=N/N=c/1\[nH]ncc2c1cccc2)/C)C.Cl,FN
-COc1cc2O[C@H]3[C@H](c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,TP
-OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@@H]([C@@H]([C@H]1O)O)NC,TP
-Cc1cc(N)c(cc1N)C,TP
-O=c1cn[nH]c(=O)[nH]1.NCCO,TP
-COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],TN
-O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)/C=C\C(=O)O,TN
+CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,FP
O[C@@H](COc1ccc(cc1)NC(=O)C)CNC(C)C,TN
-O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,TP
-CCCCC/C(=C\c1ccccc1)/C=O,TN
-CN(CC(=O)O)C.Cl,TN
-Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,TP
-O=C([C@]1(C)OC1)NCc1ccccc1,TP
-ClCCNC(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,TP
-Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,TP
-O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,TP
-COc1cc2O[C@@H]3[C@@](c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,TP
-CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,TP
-Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O,FP
-C[C@H](C(=O)NCc1ccccc1)Br,TP
-CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,TP
-Nc1c2ccccc2nc2c1cccc2.Cl.O,TP
-O=C1C=C/C(=N/C(=O)C)/C=C1,TN
-C[C@H]([C@H](O)C)O,TN
-c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)[C@@H]1[C@H]2O1,TP
-ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,TP
-OC[C@@H]1N[C@@H](Cc2c1[nH]c1c2cccc1)C(=O)O,TN
-ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,TP
+Cc1ccc(cc1)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-],FN
+CCOS(=O)(=O)c1ccc(cc1)C,TP
+CCOCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCOCC)N,TN
+Nn1c2ccncc2c2c1cccc2,TP
+ClC/C=C\Cl,TP
+[O-][N+](=O)[CH-]C,TN
+Cc1ccc(c(c1)[N+](=O)[O-])C,TP
+CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,TP
+O=NN(c1cccnc1)C,TN
+OCCNCCO,TN
+c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,TP
+CCOc1ccc(cc1)N,TP
+Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,TN
+C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,TN
+CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,TN
+C1CCC(CC1)N=C=NC1CCCCC1,TN
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,NA
+CCCCOC(=O)CCC,TN
+COc1cc(O)nc(n1)NC(=O)N,TN
+CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,TN
+CCCCN(CCC)N=O,TP
COC(=O)C1=C(C)NC(=C([C@@H]1c1cccc(c1)[N+](=O)[O-])C(=O)OC/C=C/c1ccccc1)C,TN
-CC/N=[N+](/CC)\[O-],TN
-Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,FP
-OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,TP
-CCCCCCC[C@@H]1CCC(=O)O1,TN
-CC(N/C(=N\C(C)C)/OCc1ccc(cc1)[N+](=O)[O-])C,TP
-CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,TN
-Clc1cc(ccc1/N=N/c1ccc(cc1)CCNCC[N+](C)(C)C)[N+](=O)[O-],TP
-CCO[P@@](=O)(N(C)C)C#N,NA
-CC(c1cc(/C=C/c2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,TN
-OC(=O)CS.[Na+],TN
-NC[C@]1(C)C[C@H](N)CC(C1)(C)C,NA
-CCN(c1ccc(cc1)/N=N/c1ccc(cc1)[N+](=O)[O-])CC,TP
-O[C@@H]1OC(=O)C(=C1C)Cl,TP
-NNc1nnc(c2c1c1ccccc1[nH]2)n1nc(cc1C)C.Cl,FP
-CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,FP
-ClN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
-OC(=O)CC[C@@H](C(=O)O)N.O.N,TN
-Sc1ncnc2c1[nH]cn2.O,TP
-SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,TN
-COc1cc(ccc1OC)C[C@H]1CO1,TP
-CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,TP
-CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)[N@@]2N1C(=O)c2c(C1=O)cccc2)C)C,TP
-OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1.[Na+],TP
-C[n+]1c2ccccc2cc2c1cccc2N.Cl,TP
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c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,TP
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-[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,TP
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-[N-]=[N+]=NCc1ccccc1,TP
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-[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,TP
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-[O-][N+](=O)c1cc(ccc1Nc1ccc(c(c1)S(=O)(=O)O)Nc1ccccc1)[N+](=O)[O-].[Na+],TP
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-O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],TN
-C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,TP
-CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,TN
-CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,TN
-O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,TN
-OCc1c(CO)cnc(c1O)C.Cl,NA
-Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,TP
-Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],TN
-NNc1ccccc1.Cl,TP
-CN.Cl,NA
-O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,TN
-NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,TN
-Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,TN
-CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,TN
-CNC[C@@H](c1cccc(c1)O)O.Cl,TN
-N=c1nc[nH][nH]1,NA
-CCn1c2ccc(cc2c2c1cccc2)N.Cl,TP
-OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,TN
-OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],TN
-Nc1ccc(cc1)N.Cl.Cl,TP
-OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,TP
-COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,TN
-CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,TN
-OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,TP
-CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,TN
-COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,TN
-OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],TP
-OC(=O)C(Cl)(Cl)Cl.[Na+],TN
-OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,TN
-CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,NA
-Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],TP
-COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
-Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,TP
-c1ccc2c(c1)c(ccc2)C[C@H]1CO1,TP
-OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,TN
-COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
-SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,TP
-Oc1ncnc(n1)O,TN
-OC1=CC(=O)C1=O.[Na+],TN
-OC(=O)[C@H](O)C.[Na+],TN
-Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],TN
-Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,TP
-N/N=C/1\N=NC=C2[C@H]1C=CC=C2,TP
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+Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,TP
+CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,FN
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+Fc1ccccc1c1ccccc1,FP
+COc1ccn(c(=O)n1)CC(CN=N#N)O,TP
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+Cn1nc(c(c1)C(=O)O)C(F)F,TN
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+OCC(CO)(C)C,TN
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+N#C/C(=C\c1ccco1)/C(=O)OC,TN
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],TP
+Nc1ccccc1N,FN
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,TN
+OC(=O)C(Cc1ccc(cc1)O)N,FP
+OC(=O)CCc1ccccc1,TN
+CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,TN
+Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,TN
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,TP
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+COc1ccc(cc1)C(=O)/C=C/c1ccccc1,TN
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,TN
+OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,TN
+CC(=O)OCc1ccc2c(c1)OCO2,FP
+BrCCOC(=O)C=C,FN
+O=C1NC(=O)NC(=O)C1(O)O,TN
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,TP
+ONc1cccc(c1)C,TP
+Oc1ccc(c(c1)Cl)Cl,TN
+O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],TP
+C/C(=N/O)/CC,NA
+Nc1cccc2c1nc1cccc(c1n2)N,TP
+Fc1cccc2c1nccc2,TP
+C1CC2=CC3C(C=C(C1)O2)O3,NA
+OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,TP
+n1ccc(cc1)c1ccccn1,TP
+CC1=CC(=O)C(=CC1=O)C,TN
+ClCCSCC(NC(=O)CC(=O)O)NC(=O)CCC(C(=O)O)N,TP
O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],TN
-O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,TP
-Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,TN
+CCN(c1ccc(cc1)[N+](=O)[O-])CC,TP
+O=NN1CC(=O)NC1=O,TP
+COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,TN
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,TP
+Oc1cccc2c1OC(C2)(C)C,TN
+OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,FP
+CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,TN
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,FP
+NC(C(=O)O)Cc1ncn[nH]1,TN
+O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],FP
+CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,TP
+OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,TN
+Nc1ccc(cc1)S(=O)(=O)N,FP
+CN(c1ccc(cc1)/C=C/c1ccccc1)C,FN
+Clc1ccc(cc1)Br,TN
+CC1=CC2CCCCC2c2c1cccc2,TP
+NC(C(=O)O)Cc1ccccc1,TN
+O=C1CCc2c(O1)cccc2,TN
+COC(=O)C1=C(C)NC(=C([C@H]1c1cccc(c1Cl)Cl)C(=O)OC(C)C)COC(=O)N,TN
+CC1CS1,NA
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,TP
+CC(=O)Nc1ccc2c(c1)nccc2,TP
+CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,TP
+Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],TP
+O=C(c1ccccc1)OOC(C)(C)C,FN
+ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
+Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,TN
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,TN
+CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,TN
+O=Nc1ccc(cc1)N(C)C,TP
+OC(=O)COc1ccc(cc1Cl)Cl,TN
+C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,FP
+C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,TN
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,TP
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,TP
+Brc1cccc(c1)[N+](=O)[O-],TP
+[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,NA
+Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
+Oc1ccc(c(c1)O)C(=O)O,TN
+Nc1ccc2c3c1-c1ccccc1-c3ccc2,TP
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,TP
+CC(Br)(C)C,FN
+O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,FN
+C1CCCCC1,TN
+CCOc1nc(ns1)C(=O)O,NA
+COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,TN
diff --git a/crossvalidations/predictions/mp2d/lazar-high-confidence.csv b/crossvalidations/predictions/mp2d/lazar-high-confidence.csv
index 0748556..2061ef2 100644
--- a/crossvalidations/predictions/mp2d/lazar-high-confidence.csv
+++ b/crossvalidations/predictions/mp2d/lazar-high-confidence.csv
@@ -1,8309 +1,5960 @@
-O=C1c2ccccc2C(=O)c2c1c1[nH]c3c(c1c1c2[nH]c2c1ccc1c2C(=O)c2ccccc2C1=O)ccc1c3C(=O)c2ccccc2C1=O,FP
-NNC(=O)CNC(=O)/C=N#N,TP
-N1C(=O)/C(=N#N)/C=NC1=O,NA
-NC(=O)CNC(=O)/C=N#N,TP
-CCCCN(CC(C1=C/C(=N#N)/C(=O)C=C1)O)N=O,TP
-NC(C(=O)O)COC(=O)/C=N#N,FN
-CCN(CC(C1=CC(=O)/C(=N#N)/C=C1)O)N=O,TP
-O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,TN
-Nc1nc(N)nc(n1)N,TN
-Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2,TP
-CC(CC(=O)Nc1snc2c1cccc2)C,TN
-[O-][N+](=O)c1cccc(c1C)C,TP
-CCCCCCC(=O)OC1(C#C)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,TN
-[O-][N+](=O)CCC,TN
-OC(=O)c1cc(cc2c1nccc2)[N+](=O)[O-],TP
-OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,TP
-NC(=O)Nc1nc2c([nH]1)cccc2,NA
-C[C@H](CCC(=O)c1cocc1)O,NA
-Nc1ccc2c(c1)oc1c2cccc1,FN
-Cc1ccc2c(c1)c1cc(C)ccc1cc2,TP
-Cc1cc2c(c3c1nc(cn3)c1ccccc1)nc(n2C)N,TP
-CCN(/C(=N/O)/C=O)N=O,NA
-NNc1nnc(c2c1cccc2)NN,TP
-C=CC(=O)NCNC(=O)C=C,NA
-OCc1cc2cccc3-c4c(-c(c1)c23)cccc4,FP
-Cc1ccccc1c1ccccc1,FP
-Cc1cc(O)c2c(c1)C(=O)C13C4(C2=O)C(=O)C2C(C1C1C(C3C(=O)C34C(=O)c4c(O)cc(cc4C(=O)C213)C)C)C,NA
-Cc1nc(N)nc(n1)N,TN
-CCNc1nc(N)nc(n1)Cl,TN
-C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,TP
-CCCCB(CCCC)CCCC,NA
-CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,TP
-C[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](CC[C@@H]2C)C(C)C,FN
-CCNN=NCC,NA
-Oc1cccc(c1)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
-OCc1ccco1,NA
-c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,TP
-Oc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
-Oc1ccc2c(c1N=Nc1ccccc1)cccc2,TP
-N[C@@H]1CC[C@H](CC1)C[C@@H]1CC[C@H](CC1)N,TN
-COC(=O)C12CC2(C=O)C(=CC2C1CC(C2)(C)C)C=O,TP
-CCOC(=O)C(Br)C,FN
-COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,TN
-ClCCN(CCCNc1c2CCCCc2nc2c1cccc2)CC,TP
-OCCC1(O)NC(=O)C2(C1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C1=CCOC1=O)/C)/C)/C,TP
-CC[P@](=S)(Sc1ccccc1)OCC,NA
-Nc1ccc(c(c1)N)[N+](=O)[O-],TP
+O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,TN
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-CC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)C,FN
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+Oc1cc(O)cc(c1)O.O.O,TN
+Cc1cc(cc(c1)C)[N+](=O)[O-],TP
+CC(NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
+c1ccc2c(c1)cc1c3c2[C@H]2O[C@H]2c3cc2c1cccc2,TP
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,TP
+CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,TN
+CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,TN
+Fc1ccc2c(c1)ccc1-c3c4c(-c21)cccc4ccc3,TP
+COc1ccc(cc1)N,TP
+BrCc1ccccc1CBr,FP
+Nc1nc2c(n1C)ccc1c2ccnc1,TP
+OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,TN
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1CCCC2,TP
+CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,TP
+OCCOc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)OCCO)OCCO,TN
+OCC(C(CO)O)O,TN
+Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
+NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
+OCc1ccc(cc1)OC(=O)C,TN
+CCCC(=O)Nc1snc2c1ccc(c2)Cl,TN
+OC(=O)/C=C/C=C/C(=O)O,TN
+COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,FP
+O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,TN
+O=Cc1ccc2-c1cocc2COC(=O)C,TP
+Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,TP
+COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],TP
+CC(C[C@H](O)C)C,TN
+N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,TN
+Cn1sc(cc1=O)Cl,NA
+[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,TP
+OCc1ccc(cc1)NNC(=O)C,FN
+c1ccc2c(-c3ccccc3C3C2O3)c1,TP
+OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
+[O-][N+](=O)c1cc(ccc1O)c1ccccc1,FP
OC(=O)c1ccccc1,TN
-[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,TP
-c1cc2Cc3c4c2c(c1)ccc4ccc3,TP
-Fc1ccccc1c1ccccc1,FP
-Clc1ccc(cc1Cl)c1ccc(c(c1Cl)Cl)Cl,TN
-CC(=CCc1ccc(c2c1oc1cc3OC4C(c3c(c1c2=O)O)(O)C=CO4)O)C,TP
-CC1COCc2c1cc1c(c2)C(C(C1(C)C)C)(C)C,NA
-OC(=O)CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C,NA
-Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,TP
-OCC(=O)C1(O)CC(OC2CC(N)C(C(O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,TP
-Oc1ccc(cc1)Cc1ccccc1O,TN
-CC(OC)CCO,NA
-CC(=O)N(c1ccc(cc1)Oc1ccccc1)O,TP
-OP(Oc1ccc(cc1)C(c1ccc(cc1)OP(O)O)(C)C)O,NA
-CCCCCCCC(=O)Cl,FN
-BrC(C(C)(C)C)C(=O)Nc1ccccc1,FP
-CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3c(n2)C)CC,TP
-[O-][N+](=O)c1cnc(s1)NC(=O)NCC,TP
-COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,TP
-Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,TP
-COC(=O)C(=C)C,TN
-Oc1ccc2-c3ccc(c4c3[C@@]([C@H]3c2c1C(=O)[C@@H]1O[C@H]31)(O)C=CC4=O)O,NA
-COC(=O)N,NA
-NNc1n[nH]c(c2-c1c1ccccc1n2)n1nc(cc1C)C,FP
-Fc1cnc2c(c1)c1ncccc1cc2,TP
-O=C(NC(c1nc2c(s1)cccc2)S)NC(c1nc2c(s1)cccc2)S,NA
-BrCc1c2ccccc2c(c2c1cccc2)C,TP
-Nc1cccc2c1nc1CCCCc1c2,NA
-COC(=O)C=C,TN
-CC(=O)Nc1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,TP
-OC1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,TP
-Oc1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],TP
-OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)cccc1,FP
-Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,TN
-CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,TN
-CCCCN(COC(=O)C)N=O,TP
-C1CCC2=C(C1)c1c3ccccc3cc3c1c2cc1c3cccc1,NA
-ClCCN(P(=O)(OCCC(=O)O)N)CCCl,TP
-Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,NA
-C1COCCS1,NA
-Cc1ccccc1N,TP
-O=C1c2ccccc2-c2c1cccc2,FP
-C1CCCC2C(CC1)O2,TN
-C1=Cc2c(CC1)c1cc3c(nc1cc2)ccc1c3cccc1,TP
-N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,FP
-CN(CCN(c1ccccn1)Cc1ccccc1)C,TN
-C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,NA
-OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,TN
-CCNc1ccccc1,NA
-Nc1ccccc1SCCSc1ccccc1N,TP
-ONC(=O)c1ccccc1O,TP
-[O-][N+](=O)c1cccc(c1N)O,FP
-Nc1ccc(cc1)/C=C/c1ccc(cc1)C(C)(C)C,FP
-OC(=O)[C@H]([C@H](C(=O)O)CC(=O)O)CC(=O)O,FN
-c1cc2cccc3c2c(c1)CC3,FP
-OCCN(c1ccc(c2c1nc1ccccc1c2NCCCN(C)C)[N+](=O)[O-])CCO,TP
-CCCCOc1ccc(cc1)N=O,TP
-Nc1cc(Cl)c(cc1S(=O)(=O)O)C,FN
-COC(=O)C1=CCCN(C1)C,NA
-CNC(=O)ON,FN
-OC(=O)C=C,NA
-OC(=O)CC(=O)O,NA
-CCCCC=O,TN
-O=Nc1ccccc1c1ccccc1,TP
-Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(n1)O)C,TN
-SCC(C(=O)O)NC(=O)C(SC)(C)C,TN
-C[n+]1ccc(cc1)c1cc[n+](cc1)C,TN
-N#N=NCC(C(C(C(C=O)O)O)O)O,TP
-CCCCCNc1snc2c1cccc2,TN
-CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,TN
-[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,TN
-[O-][N+](=O)c1cccc(c1)S(=O)(=O)O,TN
-COc1ccc(c(c1)C(C)(C)C)O,TN
-ClCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-],TP
-CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,TN
-OCc1cc2ccc3c4c2c(c1)ccc4ccc3,TP
-CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,TP
-C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=C1CCC(=O)C2,TN
-N#Cc1ccccc1C#N,TN
-CC(=O)Nc1cc(ccc1C)N=[N+](c1ccc(c(c1)NC(=O)C)C)[O-],TN
-CC(OC(=O)C1=C(C)N=C(C(=C(OC2CN(C2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])N)C,NA
-C1CN=C(N1)c1ccc(cc1)c1[nH]c2c(c1)ccc(c2)C1=NCCN1,NA
-CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,TP
-CCCCCCOC(=O)C=C,TN
-CN(N=Nc1ccc(cc1)C(=O)O)C,TN
-ClC(c1ccccc1)(Cl)Cl,FN
-CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C/CCCCCCCC,TN
-O=c1ccc2c(o1)c(OCC1OC1(C)C)c1c(c2)cco1,TN
-CCC([N+](=O)[O-])CC,TN
-CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,TP
-N#Cc1ccc(cc1)C,TN
-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],FP
-COc1nsc2c1ccc(c2)OCC1CO1,TP
-Oc1c(Br)cc2c(c1Br)oc1c(c2=O)c(C(=O)O)c(c(c1Cl)Cl)Cl,NA
-[O-][N+](=O)NC(=N)N(N=O)CCCC,TP
-CCCON=O,TP
-CN(S(=O)(=O)N(c1ccccc1)SC(Cl)(Cl)F)C,TN
-OC1C2OC2C2=C(C1O)C=CC1C2c2cccc3c2c1ccc3,NA
-O=C1OC(=O)c2c1c(Cl)c(c(c2Cl)Cl)Cl,NA
-c1ccc2c(c1)ccc1c2c2CCCc2cc1,FN
-NCCC#N,NA
-Clc1cccc2c1c1ccccc1o2,TN
-C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,TP
-CCCCC,TN
-Cc1cccc(c1)O,TN
-CCCC(=O)OCc1ccccc1[N+](=O)[O-],TN
-BrCc1ccccc1,FN
-N#N=NCCC(C(=O)O)N,FN
-ClCCN(c1c(OC)ccc2c1cc(o2)[N+](=O)[O-])CCCl,TP
-CC(CCOC(=O)/C=C\c1ccccc1)C,NA
-Clc1ccccc1C(F)(F)F,TN
-NNS(=O)(=O)c1ccc(cc1)C,NA
-FC(C(F)(F)F)F,NA
-Cc1ccccc1S(=O)(=O)N,TN
-Sc1ncc(c(n1)O)C,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Cl,TP
-c1cc2ccc3c4c2c(c1)ccc4cnc3,TP
-ClC(=C1C(=O)NC(=O)C1(Cl)Cl)Cl,NA
-c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,TP
-CC(N(C(=O)SCC(=C(Cl)Cl)Cl)C(C)C)C,TP
-Cc1ccc(c(c1)C)N,TP
-CN(N=O)C[C@@H](CO)O,TP
-OC(c1cc(Cl)c(c(c1)C(F)(F)F)N)CNC(C)(C)C,NA
-ClC1=C(Cl)C(=O)C(=C(C1=O)Cl)Cl,NA
-C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC,FN
-OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C2(C1)OC2)O)C,TN
-O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,TP
-Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,TP
-OC(=O)/C=C/c1ccc(cc1)Cl,TN
-CCc1ccc(cc1)[N+](=O)[O-],FP
-NC(=O)CCCCC(=O)N,TN
-[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],TP
-CCCCOC(=O)c1ccccc1C(=O)OCCCC,TN
-OC(=O)C1NCc2c(C1)c1ccccc1[nH]2,TN
-NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,TN
-NC(C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,TP
-O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,TP
-COc1cccc(c1)N,TP
+[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,TN
+O=C([C@]1(C)OC1)NCc1ccccc1,TP
+ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,TP
+CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,TP
+CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,TP
+OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,TP
+CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,TP
+ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,TP
+[O-][N+](=O)c1cc2c(Cl)nsc2cc1,TP
+[O-][N+](=O)c1cc2ccccc2cc1C,FP
CCCNC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],TP
-O=P1(OCc2c(O1)cccc2)Oc1ccccc1,FN
-Cc1cc(ccc1N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TN
-O=Nc1ccc(cc1)N(C)C,TP
-CN(N=Nc1ccc(cc1)Br)C,TP
-CC(=C)C(=O)OC(C)(C)C,TN
-CCc1ccccc1,TN
-OCC1OC(C(C1O)O)n1c(O)nc2c1nc(N)nc2O,TN
-Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
-CNCc1ccc(o1)CSCCN=C(NS(=O)(=O)C)NC[C@@H](c1ccc(cc1)O)O,TN
-N#Cc1cc(ccc1N)[N+](=O)[O-],TP
-Nc1c(C)cccc1N,TP
-CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,TN
-Nc1cccc2c1nccc2,TP
-Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,TN
-N#CCCNCCC#N,NA
-O=CC(C)C,NA
-Nc1sc2c(n1)cc(c(c2)Cl)Cl,NA
-COc1ccc(cc1)C=C,FP
-CCC(=O)OC1(C(C)CC2C1(C)CC(O)C1C2C(Cl)CC2=CC(=O)C=CC12C)C(=O)COC(=O)CC,TN
-Clc1ccnc2c1cccc2,TP
-COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,TP
-ClCC1=C(Br)C(=O)OC1,TP
-CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,TN
-COc1cc2Oc3c4c(CCN([C@H]4Cc4ccc(c(c4)Oc4ccc(C[C@H]5c2c(c1)CCN5C)cc4)OC)C)cc(c3OC)OC,TP
-CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,TN
-O=C1C(=O)C=C(c2c1cccc2)S(=O)(=O)O,NA
-O=C(NS(=O)(=O)c1ccc(cc1)C)Nc1ncc(s1)[N+](=O)[O-],NA
-NC(=N)S(=O)O,NA
-[O-][N+](=O)c1ccc2c(c1C)cccc2,TP
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Br,TP
-CP1(C)NP(C)(C)NP(N1)(C)C,NA
-C=CCOC(=O)COCCC(C)C,NA
-Cl[C@@H]1[C@H](Cl)[C@H](Cl)[C@H]([C@H]([C@H]1Cl)Cl)Cl,NA
-OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,TP
-Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2([C@@H]1CC[C@@H]2O)C,TN
-CC(Nc1nc(NC(C)C)nc(n1)Cl)C,TN
-CNC(=O)CSP(=S)(OC)OC,FN
-OCc1ccc(c2c1sc1ccccc1c2=O)NCC[N+](CC)(CC)[O-],TP
-COc1cc2C(=O)CCc2c2c1c1ccccc1cc2C,TP
-CCOc1ccccc1C(=O)N,TN
-OS(=O)(=O)c1ccc2c(c1)ccc(c2)Oc1ccc2c(c1)ccc(c2)S(=O)(=O)O,TN
-Clc1ccc(cc1)S(=O)C,TN
-CCCCCCCC/C=C\CCCCCCCCN,FN
-NCCCNCCCN,TN
-NCCNCCO,TP
-COC(=O)[C@@]12O[C@@]2(C)[C@](NC1=O)(O)C(C)C,TP
-CCOS(=O)(=O)OCC,NA
-COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,TP
-C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,TN
-Cc1ccc(cc1)OC[C@@H]1OC1,TP
-[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],TP
-O=C1C=C(C)C(=O)c2c1cccc2,FN
-CCCCCCCCc1ccc(cc1)Nc1ccc(cc1)CCCCCCCC,TN
-Clc1ccc(c(c1)[N+](=O)[O-])C,TN
-O=C(c1ccc2c(c1)OCO2)[C@@H]1CO1,NA
-CCCC(=O)OC1CCCCC1,TN
-CC1Cc2c(C1=O)c1C(=C)CCC3C(c1c(c2O)C)C3(C)C,NA
-COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
-CCCCCCCCC=O,TN
-OC(=O)C(CCS(=O)(=N)C)N,TN
-CSCNc1ccccc1OC,TP
-O=Cc1cccc(c1)Cl,TN
-CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,TN
-CCCCCCCCn1sccc1=O,NA
-CC(CCCC1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)C)C)CCCC(CCCC(C)C)C,TN
-OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(c(c2)O)OC)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,TN
-c1ccc2c(c1)cnnc2,TN
-OS(=O)(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TP
-O=CC(=O)c1ccccc1,FN
-[O-][N+](=O)c1cc(ccc1O)c1ccc(c(c1)[N+](=O)[O-])O,TN
-O=C(c1ccccc1)OCc1cccc(c1)[N+](=O)[O-],TN
-N#C/C(=C\c1ccccc1Br)/C(=O)OC,NA
-[O-][N+](=O)c1ccc2c(c1)oc1c2cc(cc1)[N+](=O)[O-],TP
-[O-][N+](=O)c1cc(N=[N+](c2cc(cc(c2C)[N+](=O)[O-])[N+](=O)[O-])[O-])c(c(c1)[N+](=O)[O-])C,FN
-C1NCCS1,NA
-OCCc1cn(c2c1cccc2)N=O,TP
-O=NN(Cc1cccc(c1)C)C,TP
-OCC(CO)(C)C,NA
-O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,TN
-N#C/C(=C\c1ccco1)/C(=O)OC,TN
-COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,TN
-OC(=O)c1ccc(cc1)N,TN
-COC(=O)Nc1cccc(c1)OC(=O)Nc1cccc(c1)C,NA
-OC(=O)/C=C/c1ccccc1,TN
-N#Cc1cccc(c1)[N+](=O)[O-],FN
-COc1c(OC)cc2c3c1c1cc4OCOc4cc1cc3N(CC2)C,TN
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,TN
-CCN(c1ccc(cc1)[N+](=O)[O-])CC,TP
-CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,TP
-C/C(=C\C)/CCl,NA
-COc1cc(ccc1O)CC1CO1,TP
-OC1C2OC2c2c(C1O)ccc1c2cc2ccccc2c1C,TP
-COCCO,TN
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+COC(=O)c1occ(c1c1ccccc1)c1ccccc1,TN
Fc1cc2ccccc2c2c1cccn2,TP
-Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,TP
-N#Cc1ccc(cc1)C1(C)OC1,TP
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-COc1ccn(c(=O)n1)CC(CN=N#N)O,TP
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-CC(C(C)C)C,TN
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-OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F,FN
-CNc1ccccc1,FP
-O=C(C(=O)O)C(=O)O,NA
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-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)C=CCC2,TP
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-ON=C1CCCCC1,NA
-COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cccc2,TP
-NC(=N)NNc1ccc(cc1)N=NC(=S)N,NA
-CCc1c2ccc3c(c2cc2c1cccc2)cccc3,FN
-Cc1cnc2c(n1)ccc1c2nc(n1C)N,TP
-BrC(=C)C=O,NA
-[O-][N+](=O)c1ccnc2c1cccc2,FN
-Nc1nc2c(n1C)cc1c(n2)nccc1,FP
-OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,TN
-Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,TP
-CCCCCCCCCCO,TN
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+NCCN1CCNCC1,FP
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+OS(=O)(=O)OCc1cc2ccccc2c2c1c1ccccc1cc2,TP
+CCCCN(N=O)CCCC,TP
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,TN
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+CNc1ccc2c(c1N)cccn2,FP
+Cc1ccc(cc1)c1nc2c(o1)cccc2,TN
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+COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],TP
+CCCC(=O)Cl,TP
+Clc1ccc(cc1)c1nc2c(o1)cccc2,TN
+CCNc1snc2c1cccc2,TN
+O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
+O=CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@H](OC(=O)C[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H]([C@H]1O)N(C)C)O[C@@H]1O[C@H](C)[C@H]([C@](C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,TN
+COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],FP
+Fc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+c1cnc2c(c1)ccc1c2cccn1,TP
+CC(=O)c1ccccc1,TN
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+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+],TN
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+C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,TN
[O-][N+](=O)c1cc(ccc1c1ccccc1[N+](=O)[O-])[N+](=O)[O-],TP
-Cc1cccc(c1)C(=O)Cl,TP
-ClCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,FN
-Nc1cccc2c1snc2,TP
-COc1c2ccccc2[n+](c2c1cco2)[O-],FP
-COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,TP
-CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,TN
-OCC1OC(OC2C(O)CC3(C(C2(C)C(=O)O)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)C(C(C1O)O)O,TN
-O=C(Nc1ccc(cc1)Cl)CCC(=O)O,TN
-OC(c1ccc(cc1)CCc1ccccc1)Cn1cncc1,NA
-CCCCOP(=O)(OCCCC)OCCCC,TN
-COC(=O)/C(=C/c1ccc(o1)Br)/C#N,TN
-OCC(C(C(=O)NCCC(=O)O)O)(C)C,TN
-ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2ccc2c3c(cc1)c(cc2)[N+](=O)[O-],TP
-c1ccc2c(c1)nccn2,TP
-N#CC1=Cc2c3c1cccc3ccc2,NA
-CN1CCc2c3C1Cc1ccccc1-c3c1c(c2)OCO1,TP
-C=C1CCC2CC1C2(C)C,TN
-NC(=N)NS(=O)(=O)c1ccc(cc1)N,NA
-CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,FP
-CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,TP
-Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,TP
-OCCBr,NA
-OOC1C=C2CC(O)CCC2(C2C1C1CCC(C1(C)CC2)C(CCCC(C)C)C)C,FN
-CN(c1ccc(nn1)NN)C[C@H](O)C,NA
-Oc1ccc(cc1)c1ccccc1,TP
-CC(=O)/C=C\C1=C(C)CCCC1(C)C,FP
-COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)C[C@](C2)(O)C(=O)C,TP
-COc1cc(ccc1N)[N+](=O)[O-],TP
-C/C=C\1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@H]2[C@H](OC1=O)CC3)[O-],TN
-COC1(NC(=O)CSCC(C(=O)O)N)C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C,NA
-O/N=C/C1N(CCCN(C)C)C=CN1C,TN
-CC12OOC2(C)c2c(O1)ccc1c2cccc1,FP
-CN(CCNC(=O)c1cccc2c1oc(n2)c1ccccc1)C,FP
-OCCCCl,FN
-OC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c1cccs1,NA
-CC(=O)OC[C@@H](CO)O,NA
-COCC(=O)O,NA
-O=Nc1c(O)ccc2c1cccc2,FP
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-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])O,FP
-Clc1ccc(cc1)C(Cl)(Cl)Cl,TP
-CC(=O)c1ccc([nH]1)[N+](=O)[O-],NA
-Nc1ncnc2c1cnn2CC(CN=N#N)O,NA
-NC(=O)c1cnccn1,NA
-OC1C2OC2c2c(C1O)ccc1c2cccc1,TP
-C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,TN
-O=C1CCC(=O)N1c1cc(Cl)c(c(c1)Cl)Cl,TN
-CSc1cc(SC)c(c(c1N)C)N,NA
-CCN(c1ccccc1)N,NA
-CCOCCOCCOCC,TN
-COP(=S)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,NA
-CC(OOC(C)(C)C)(C)C,TN
-CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,TN
+NCC1(C)CC(N)CC(C1)(C)C,NA
+Oc1ccc2c(c1N)cccc2,TN
+COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,TP
+CC(Nc1nc(NC(C)C)nc(n1)Cl)C,TN
+[N-]=[N+]=NC[C@H](C(=O)O)N,TP
+[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,TP
+Clc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,TN
+N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,TN
+BrC[C@H]([C@@H]([C@@H]([C@H](CBr)O)O)O)O,TP
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc(N)c2c1cccc2,TP
-N/C(=N\OS(=O)(=O)O)/c1ccccc1,NA
-ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,TP
-O[C@H]1CC(=C[C@H]([C@@H]1O)O)C(=O)O,NA
-Cc1ccc2-c3c(C(c2c1)C)cc(cc3)C,FP
-CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,TP
-CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,TP
-CNC(=O)ONC(=O)NC,FN
-O=S1(=O)CCCO1,TP
-Nc1nc2c(n1C)ccc1c2cncc1,TP
-ClC(C1=C(Cl)C(=O)OC1O)Br,TP
-Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-Nc1ccc(cc1)Sc1ccccc1,TP
-CC(=O)N(c1ccc2c(c1)cccc2)O,TP
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,TP
-[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc2c(c1)oc1c2cccc1,TP
-CCCCCC(=O)N,TN
-Cc1c(NC)ccc2c1nccn2,TP
-O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,TN
-Clc1cnc2c(c1C)cccc2,FP
-O=C(C(F)(F)F)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
-CS(=O)(=O)OCCCCOS(=O)(=O)C,TP
-O=C(NC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],TP
-CCOC[C@H]1CO1,TP
-c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,TP
-Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,NA
-COP(=O)(OC)OC,FN
-OC1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,FP
-ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,TP
-ClCc1cccc(c1)CCl,FP
-O=C(Nc1snc2c1cccc2)Nc1ccccc1,NA
-CCC(c1cc(n2nc3c(n2)cccc3)c(c(c1)C(CC)(C)C)O)(C)C,NA
-O1CCOCCOC2CCCCC2OCCOCCOCCOCCOC2C(OCCOCC1)CCCC2,TN
+[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,TP
+COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,FN
+OC1c2ccccc2-c2c(C1O)c1ccccc1cc2,FP
+ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,TP
+OC(COc1cccc2c1C=CC2)CNC(C)C,TN
+Nc1c(C)n(n(c1=O)c1ccccc1)C,FP
+Nc1cccc2c1c(N)ccc2,TP
+COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,TP
+Brc1c(C)c(Br)c(c(c1Br)Br)Br,TN
+OCCc1cn(c2c1cccc2)N=O,TP
C/C=C/c1cc(OC)ccc1OC,TN
-OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,TN
-n1ccc2c(c1)cnnc2,TN
-CC/C=C/C,NA
-Oc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
-O=C(C(=C)C)OCCCCCCOC(=O)C(=C)C,TN
-CC(=O)c1ccc2c(c1)cccc2,FP
-ClCC(=O)c1ccccc1,NA
-[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],TP
-O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,TP
-Nc1cccc2c1c(O)nnc2O,NA
-CCC(=O)Nc1snc2c1cc(C)cc2,FP
-OCC1OC(C(C1O)O)n1cc(O)c(nc1=O)N,TN
-Nc1ccc(c(c1)S(=O)(=O)O)/C=C\c1ccc(cc1S(=O)(=O)O)N,TN
-COc1ccc(cc1)C(=C(c1ccc(cc1)OC)Cl)c1ccc(cc1)OC,NA
-O=NN(C(=O)Oc1ccccc1OC(C)C)C,TP
-Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],TP
-CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,TN
-O=NN(c1ccccc1)C,FN
-CN(CCNC(=O)c1cccc2c1nc(o2)c1ccccc1)C,FP
-CCCC[C@H](COC(=O)c1ccc(c(c1)[N+](=O)[O-])N(C)C)CC,FN
-O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,TN
-ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
-c1cc2ccc3c4c2c(c1)ccc4cc1c3occ1,TP
-Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,TP
-COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O,FP
-C[Si](O[Si](C)(C)C)(C)C,NA
-CCCCCCCCCCCCCCCCCC(=O)N,TN
-OC(=O)C1OC(Nc2nc3c(n2C)ccc2c3nc(C)cn2)C(C(C1O)O)O,NA
-CC[Si](CC)(Cl)Cl,NA
-Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,TN
-[O-][N+](=O)c1cc(O)c(c(c1)[N+](=O)[O-])C,FP
-CC(=O)Nc1ccc(cc1)OC(=O)c1ccccc1OC(=O)C,FP
-COc1cc2OC3C(c2c2c1c1CCOC(=O)c1c(=O)o2)C=CO3,TP
-CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)Cl)N2N1C(=O)c2c(C1=O)cccc2)C)C,FP
-O=CN1CCc2c3c1cc1ccccc1c3c(c(c2)OC)OC,NA
-C1CCCCCC2C(CCCC1)O2,TN
-OCCc1ccc(cc1)N(C)C,TP
-Oc1c2c(OC3C2CCO3)cc2c1c(=O)c1c(o2)cccc1O,TN
-ClCCN(c1ccc(cc1)OCCCCCNc1c2ccccc2nc2c1cccc2)CC,TP
-CC(=O)OCc1c2ccccc2cc2c1c1ccccc1cc2,TP
-OC(=O)c1cc(O)c2c(n1)c(O)ccc2,FP
-O=C1CCCN1C,NA
-Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],TN
-N#CC(O)(C)C,NA
-CC(C[C@H](N)C)C,NA
-NCCc1c[nH]cn1,NA
-CN(NC(=O)CCC(=O)O)C,NA
-Oc1ccc2c(c1)cccc2O,TP
-Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,TP
-O=CCCN(C(=O)OCC)N=O,TP
-CCOC(C(=O)C(O)O)C,NA
-CC(COC(=O)C=C)O,TN
-OC1C=Cc2c(C1O)cc1c(c2Br)ccc2c1cccc2,FP
-Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,TN
-COc1ccc(c(c1)N=Nc1c(O)ccc2c1cccc2)OC,TP
-O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,TN
-[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],TP
-CCC#C[C@H]([C@@]1(CC=C)C(=O)NC(=O)N(C1=O)C)C,NA
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,TP
-[O-][N+](=O)c1nc2c(n1C)ccc1c2cccn1,TP
-CC(=O)Nc1ccc2-c3c(Cc2c1O)cccc3,FP
-CSCCC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl,TN
-COc1ccc(cc1)C(=C(C#N)CCC(=O)O)c1ccc(cc1)OC,NA
-COc1cc(ccc1OC)CC1CO1,TP
-Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],TP
-CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,TP
-O=C(N1CC(=O)N2[C@H](C1)c1ccccc1CC2)C1CCCCC1,NA
-Fc1ccc2-c3c(C(c2c1)C)cc(cc3)F,TP
-Nc1ccc2c(c1)c1ccccc1cc2,TP
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)c1ccccc1,TP
-c1ccc(cc1)O[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,NA
-COc1ccc(cc1[N+](=O)[O-])c1oc2ccccc2c(=O)c1[N+](=O)[O-],TP
-CCCOS(=O)(=O)C,TP
+[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
+ClC(/C(=C(\C(=O)O)/Cl)/C(=O)O)Cl,TP
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@@]1(Cl)[C@@]1([C@@]2(Cl)[C@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,TN
+Nc1ccc(c(c1)O)C,TP
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cccc2,TP
+C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,TN
+c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,TP
+O=NN(c1ncn(c1C(=O)NC)C)C,FP
+Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,TP
+Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C,TP
+O=C(c1ccccc1)/C=C/c1ccc(cc1)c1ccccc1,TN
[O-][N+](=O)c1cccc(c1C)N,TP
-Nc1cnc2c(c1)cccc2,TP
-OC(=O)CCCCC1SCC2C1NC(=O)N2,NA
-O=C(c1ccccc1)OOC(C)(C)C,FN
-CC(=O)C1(CCNCC1)c1ccccc1,NA
-NCCCCC(C(=O)NC(C(=O)NC(C(=O)O)CCCCN)Cc1c[nH]c2c1cccc2)N,NA
-O=c1n(Cl)c(=O)n(c(=O)n1Cl)Cl,TN
-CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,FP
-Cn1cnc2c1ccc1c2cccn1,TP
-Clc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],TP
-C=C,NA
-Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,TP
-OCN1[C@H](O)[C@H](N(C1=O)CO)O,NA
-[O-][N+](=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])O,TP
-OC(=O)c1c(N)cccc1N,TP
+CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],FP
+C[n+]1c2ccccc2cc2c1cccc2N,TP
+O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,TP
+OCCN(c1ccc(cc1)C)CCO,TP
+ClC(=O)c1ccccc1,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,TP
+Fc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+OCc1ccnc2c1cccc2,FP
+OCC(=O)Nc1c(CC)cccc1CC,FN
+[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,FP
+Clc1ccc(c(c1)[N+](=O)[O-])N,TP
+Cc1c2C3OC3c3c(-c2c(c2c1cccc2)C)cccc3,TP
+ON1c2ccccc2C(=O)C1(C)c1ccccc1,TN
+OCC1OC(C(C1O)O)n1cnc2c1ncn1c2ncc1,TN
+Nc1ccc(c(c1)N=[N+](c1cc(N)ccc1C)[O-])C,FN
+n1ccc2c(c1)cnnc2,TN
+CCC(=O)OCc1ccccc1[N+](=O)[O-],TN
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,TP
+OC(=O)C[C@@H](C(=O)O)N.[Na+].[Na+],TN
+CCOCCOCCOCC,TN
+ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,FP
+Cc1ccccc1,TN
+NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,TN
+OCc1ccc2c(c1)nc1c(c2CO)ccc2c1cccc2,FP
+[O-][N+](=O)c1nc[nH]c1c1ccccc1,FN
+[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,TP
+BrC[C@H](COP(=O)(OC[C@@H](CBr)Br)OC[C@@H](CBr)Br)Br,TP
+CN(CCNC(=O)c1cc2ccccc2c2c1nccc2)C,TP
+Fc1ccc(c2c1ccc1c2nccc1)F,TP
+OC1C=Cc2c(C1O)c1ccc3c4c1c(c2)ccc4ccc3[N+](=O)[O-],TP
+OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,TP
+O[C@H]1[C@H]2O[C@H]2c2c([C@@H]1O)ccc1c2cc2ccccc2c1C,TP
+c1cc2cc3ccc4c(c3c3c2c(c1)[C@H]1O[C@@H]31)cccc4,TP
+CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)CCC[C@@H](CCCC(C)C)C,TN
+COc1cc2cccnc2c(c1)[N+](=O)[O-],TP
+Clc1cccc2c1c1ccccc1o2,FP
+N#CCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CC,TP
+Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,FP
+CCOC(=O)C(=C)C,TN
+ClCc1ccc(cc1)[N+](=O)[O-],TP
+ONc1ccc(cc1C)C,TP
+CC(CC(C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,TN
+O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,TP
+Clc1cccc(c1)[N+](=O)[O-],FP
+OC(=O)COc1ccc2c(c1)cccc2,FP
+Nc1ccc(c(c1)O)[N+](=O)[O-],TP
+CCCCON(C(=O)c1ccc(cc1)c1ccccc1)OC(=O)C,TP
+CCOC(=O)C[C@@H](C(=O)OCC)SP(=S)(OC)OC,TN
+Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@]1(Cl)[C@@]1([C@@]2(Cl)[C@@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,TN
+c1ccc(cc1)Cc1ccccc1OC[C@H]1CO1,TP
+c1ccc(cc1)Nc1ccc(cc1)Nc1ccccc1,FN
+BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
+Clc1ccc(cc1)CC1OC1,TP
+CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
+Fc1c(F)c(F)c(c(c1Cl)F)Cl,TN
+C=CCOc1ccccc1OCC(CNC(C)C)O,TN
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,TP
+N#Cc1ccc2c(c1)nc([nH]2)N,TP
+O=NN1CCO[C@H](C1)O,TP
+Cc1ccc(c(c1)O)N,TP
+On1nnc2c1cccc2.O,TN
+O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,FP
+Cc1c(N)cccc1N=Nc1cccc(c1C)N,TP
+O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,TN
+COc1cc(ccc1O)C[C@H]1CO1,TP
+O[C@@H]([C@@H](C(=O)O)O)C(=O)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O.O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,TN
+Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,TP
+CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
+O=C/C(=C\c1ccccc1)/C,TN
+OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,FP
+CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,TN
+CCCCCCCCCCCCCC=C,TN
+Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,TN
+Clc1ccc(cc1)COC(=O)c1cccc2c1nccc2,TN
+Nc1ccc(cc1C)c1ccc(c(c1)C)N,TP
+C[C@H](C(=O)N)Br,TP
+C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,TN
+OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,TP
+COc1ccc(cc1N)N,TP
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@H](C1(C)C)C=C(Cl)Cl,TN
+C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,TN
+O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,FN
+OCC1OC(C(C1O)O)n1cnc2c1nc(N)nc2NO,FN
+c1ccc2c(c1)c(OC[C@H]1CO1)ns2,TP
+ON1C(C)(C)CC(C1(C)C)C(=O)N,TN
+O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,TN
+BrC(C1=C(Cl)C(=O)OC1O)Br,TP
+OC1C(O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],TP
+OC1C(O)C(Oc2ccc3c(c2)c2ccc4c5c2c(c3)ccc5ccc4)OC(C1O)C(=O)O,TN
+OC(=O)CC[C@@H](C(=O)O)N.[Na+],TN
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,FN
+CC(=O)n1ncc(c(c1=O)Cl)Cl,TN
+COc1nc(NC(=O)N)nc(c1)OC,TN
+Oc1ccc2c(c1)cc[nH]2,TN
+O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,TP
+NC1CCCCC1.OCCCN[P@](=O)(N(CCCl)CCCl)O,TP
+Cc1c(C)c2nccnc2c2c1n(C)c(n2)N,TP
+C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,TN
+Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,TP
+Fc1cnc2c(c1)c(F)ccc2,FP
+C1Oc2c(O1)cc(cc2)C[C@@H]1CO1,TP
+Nc1ccc(cc1)/C=C/c1ccccc1,TP
+Clc1cc2ccccc2c2c1cccc2,TP
+N#[N+]c1ccc(cc1)[N+](=O)[O-],TP
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)C(O)C1O)OC3,TN
+OC(=O)C/C(=C/C(=O)O)/C(=O)O,TN
+COC(=O)/C(=C(/c1cc(Cl)ccc1Cl)\OP(=O)(OC)OC)/Cl,TN
+CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,TN
+CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,TP
+OC(=O)COc1ccc(cc1Cl)Cl.[Na+],TN
+Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
+OCC(CO)O,TN
+CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,TN
+CC[C@H](OS(=O)(=O)C)C,TP
+Clc1nncc2c1cccn2,FP
+Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,FP
+c1ccc2c(c1)ccc1c2ccc2c1ccnc2,TP
+O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,TN
+OC1C=Cc2c(C1O)cc1c(c2)cc(cc1)[N+](=O)[O-],TP
+OC(=O)c1ccccc1N,FP
+O=C/C=C/c1ccc(o1)[N+](=O)[O-],TP
+CCCCCCC=C,TN
+[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,FP
+OCc1c2ccc3c(c2nc2c1cc(C)cc2)C=CC(C3O)O,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)nc2c1cccc2,TP
+CCC(=O)N(c1ccc(cc1)c1ccccc1)O,TP
+O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,TP
+ClCCN(P(=O)(OCCC(=O)O)N)CCCl,TP
+CCCCCCCC1CCC(=O)O1,TN
+Nc1ccc(cc1)/N=N/c1ccc(cc1)N,TP
+CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,TP
+CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
+NCCCN(CC)CC,TN
+COC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
+ClCCc1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,TN
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2OC)CC,TP
+Cl/C=C\C[N+]12CN3CN(C2)CN(C1)C3,NA
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1cncc2,TP
+CNC[C@H](c1cccc(c1)O)O,TN
+CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,TP
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,TP
+Nc1ccccc1c1ccccc1.Cl,TP
+CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,TN
+NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N.OCCS(=O)(=O)O.OCCS(=O)(=O)O,TN
+Nc1nc(nc(n1)O)NC(C)(C)C,TN
+OOCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,FN
+c1cc2ccc3c4c2c(c1)ccc4ccc3,TP
+Oc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)O,FP
+Clc1ccc(cc1)O[C@@H](C(=O)C(C)(C)C)n1cncc1,TN
+ClC(C1=C(Cl)C(=O)O[C@H]1O)Cl,TP
+COCCO,TN
+CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,TP
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,TP
+Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,TP
+CO[P@](=O)(NC(=O)C)SC,NA
Oc1ccc2c(c1)c1cc3ccccc3cc1c1c2cccc1,TP
-Cc1ccc(cc1)Br,TN
-CC(CN1CC(OC1=O)C)O,NA
-CCNS(=O)(=O)c1ccccc1C,FN
-Nc1ccc2c(c1N=Nc1ccccc1)cccc2,FP
-Clc1ccc2c(c1)cccn2,TP
-CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,TP
-CCCCOC(=O)C=C,TN
-CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,TN
-Oc1cc(O)c2c(c1)oc(=O)cc2C,TN
-O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C,TP
-[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)(c1ccccc1)c1ccccc1,TP
-O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],TP
-ONc1ccc(cc1)Sc1ccccc1,TP
-O1CCOCCOCCOCC1,TN
-BrCc1c2ccccc2cc2c1cccc2,TP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
-C=CC(=O)NCCCN(C)C,NA
-Nc1cccc2c1c(N)c1c(n2)cccc1,TP
-O=Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],TP
-Nc1ccc(cc1)[N+](=O)[O-],TP
-COc1ccccc1NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccccc1OC)C(=O)C,TN
-Clc1cccc(c1)Cl,TN
-CCc1c2ccccc2cc2c1c1ccccc1cc2,TN
-CC(=O)NCCc1ccc(c(c1)c1c(O)c(O)c2c(c1O)C(=O)c1c(C2=O)cc(c(c1C(=O)O)C(=O)O)O)O,NA
-Nc1ccc(cc1O)c1ccc(c(c1)O)N,TP
-CS(=O)(=O)OC1CN(C1)C(c1ccccc1)c1ccccc1,NA
-NCCS,NA
-CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,FP
-C[n+]1c2ccccc2nc2c1cccc2,TP
-O=NC([N+](=O)[O-])(C)C,NA
-C1CCCCNC1,TN
-Cc1cccc(c1)Br,TN
-Clc1ccc(c(c1)Cc1ccccc1)O,FP
-COc1ccc(cc1)N,TP
-ClCCN(C(=O)N[C@@H](P(=O)(OCC)OCC)C)N=O,NA
-[O-][N+](=O)c1ccc2c(c1)c1cccc(c1[nH]2)[N+](=O)[O-],TP
-OC(=O)[C@H](O)C,TN
-OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
-CCCCCCCCCCCCCCCCCC1=NCCN1CCO,NA
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-[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,FN
-Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,TP
-C1CN2CCN1CC2,TN
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-O=C1C=Cc2c3c1ccc1c3c(cc2)C(=O)C=C1,TP
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-[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2,TP
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OC(=O)Cc1ccccc1Cl,TN
-C=CCCC(C=O)CC,TN
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-[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,TP
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-[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],TP
-CC(=O)Oc1ccc2c(c1)C1(C)OOC1(O2)C,TP
-CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,TN
-C=CC(=O)c1ccc2c(c1)OCO2,NA
-OCC1(O)C[C@@]23CC1CCC3[C@]1(C(CC2)c2ccoc2CC1)C,NA
-COc1c2c(CC=C(C)C)c3OCOc3c(c2nc2c1cco2)O,FP
-O/N=C/c1ccncc1,NA
-C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,NA
-CCCNCCC,TN
-O=C(N[C@@H](C(=O)NCC(=O)O)CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CC[C@H](C(=O)O)N,TP
-CCN(c1ccc2c(c1)[o+]c1c(n2)ccc(c1)N(CC)CC)CC,NA
-ClCCN(c1ccc(c2c1cc(o2)[N+](=O)[O-])OC)CCCl,TP
-CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,TP
-COc1cc2OC3C(c2c2c1c(=O)c1c(o2)cccc1O)CCO3,TN
-Nc1ccc(cc1)c1ccc(cc1)N,TP
-Cc1ccc(o1)C,NA
-CCCCCN(CCCC)N=O,TP
-ONc1cnc2c(c1C)nc1n2cccc1C,TP
-C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,TN
-N1C2C1c1cscc1-c1c2csc1,TP
-Clc1ccc(cc1)CC[C@@H]1OC1,TP
-Cc1ccc(c(c1)C(=O)O)/N=C/c1cccc2c1nccc2,TN
-CN(c1ccccc1)C,FP
-c1ccc2c(n1)cnnc2,TN
-OCC(=O)CO,NA
-OC(=O)c1ccc(cc1)C(=O)O,TN
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,TP
-CN(c1ccc2c(c1)nc1c(n2)cc(c(c1)N)C)C,TP
-COc1cccc2-c3c(C(Cc12)[N+](=O)[O-])ccc1c3OCO1,NA
-O=Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-CCN(c1ccc(cc1)[N+]#N)CC,TP
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])C,TP
-CCNc1nc(NC(C)C)nc(n1)Cl,TN
-COc1nncc2c1cncc2,TN
-OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N,FP
-O=NN(c1cccnc1)C,TN
-CC(Nc1ccc(cc1)Nc1ccccc1)C,TN
-OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,FP
-ON1C(C)(C)CC(C1(C)C)C(=O)N,TN
-[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],TP
-ClC(C(Cl)(Cl)Cl)COCC(C(Cl)(Cl)Cl)Cl,NA
-O=C(c1ccccc1)/C=C/c1ccc(cc1)[N+](=O)[O-],FN
-c1cc2ccc3c4c2c(c1)cnc4ccc3,TP
-OCc1cc2ccccc2c2c1c1ccccc1cc2,FN
-[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,FN
-c1cc(cc(c1)c1ccccc1)c1ccccc1,FP
-NCCNCC,FP
-Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,TP
-c1ccc2c(n1)c1c(cc2)CCC2C1O2,TP
-CN(CCN(c1ccccc1)Cc1ccccc1)C,TN
-CCCCCCCCCCCCCCCCCCO,TN
-COc1ccc(cc1N)c1oc2ccccc2c(=O)c1N,TP
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)O[C@@H]1[C@H]2C=CO1,NA
-CSCNc1ccccc1C(=O)C,NA
-OC[C@H]1O[C@@H](Oc2cc3ccc(=O)oc3cc2O)[C@@H]([C@H]([C@@H]1O)O)O,NA
-Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,TP
-Oc1ccc(cc1N)S(=O)(=O)C,NA
-C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,TN
-COc1ccc(cc1)[C@H]1O[C@@H]1C(=O)c1ccccc1,FN
-[O-][N+](=O)c1ccccc1C(F)(F)F,TN
-Fc1ccc(c2c1nccc2)F,TP
-CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,TP
-[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
-CN1C=CN(C1/C=N/O)CCOCC#C,NA
-CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,TP
-CC(=O)N/N=C/C1=CN(O)c2c(N1O)cccc2,TP
-Cl[C@@H]1CN(C[C@H]1Cl)N=O,NA
-Nc1cccc2c1cccc2N,TP
-OCC(C(=O)NNCc1ccc(c(c1O)O)O)N,TP
-O=Nc1ccccc1C,TP
-Oc1cccc(c1)/C=N/c1snc2c1cccc2,TP
-Cc1ccc(cc1)c1nc2c(o1)cccc2,TN
-CNc1ccc2c(c1N)cccn2,FP
-ONc1ccc(cc1)[N+](=O)[O-],TP
-CC(=O)Nc1ccc(cc1)N,TP
-Clc1c2ccccc2cc2c1cccc2,TP
-CCCCOC[C@H]1CO1,FN
-CCN(C(=O)N(c1ccccc1)CC)c1ccccc1,NA
-Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,TN
-O=C1CC2CCC3C(C2(CC1C)C)CCC1(C3CCC1O)C,TN
-CC[C@H](N)C,NA
-CCC(c1cccc(c1)OC(=O)N(N=O)C)CC,TP
-CC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)C)N,TP
-Clc1cc(Sc2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O,TN
-CCCCN(CCC)N=O,TP
-O=Nc1nccn1C,NA
-c1cnc2c(c1)C1OC1C=C2,TN
-COc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,TP
-CCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CC,TP
-OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,TP
-Nc1ccc2c(c1)oc(=O)cc2C,TN
-CC(=O)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)O,TP
-O=C(C1CSC(C(=O)N1)C)NC(C(=O)N1CCCC1C(=O)N)Cc1c[nH]cn1,TN
-CC(=O)Nc1ccc(cc1)c1ccc(cc1)N,TP
-NC(=NC(=N)N)NCCc1ccccc1,TN
-Cc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,TP
-OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,TP
+COC(=O)c1ccccc1O,FN
+CCCCC/C(=C\c1ccccc1)/C=O,TN
+NC(=O)c1ccccc1,TN
+COc1ccc(cc1)CNC(=O)C(Br)C,TP
+C[C@@H]1C(C)(C)c2c(C1(C)C)cc(c(c2)C)C(=O)C,TN
+COP(=O)(O)O,TN
+Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,FP
+O=c1n(/N=C/c2ccccc2)nnc2c1[nH]c1c2cccc1,TP
+CCCN=NC(OO)(C)C,TP
+c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,TP
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,TP
+CNC(=O)O/N=C\C(SC)(C)C,TN
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cc(cc2)O,TP
+OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,TP
+Oc1cc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],TP
+[O-][N+](=O)c1cccc(c1N)N,TP
+OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,TN
+Fc1ccc2c(c1)c1ncccc1cc2,TP
CCCC[C@H](COC(=O)CCCCCCCCC(=O)OC[C@@H](CCCC)CC)CC,TN
-Cc1ccc(c2c1n(C)c1c2cccc1)C,TP
-O1C[C@H]1c1ccc(cc1)c1ccccc1,TP
-CC1=C(C)C(=O)C(=C(C1=O)C)C,NA
-Cc1ccc(cc1)C,TN
-O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,TN
-ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
-COc1cc(ccc1O)C(=O)C,TN
-Cc1ccc(c(c1)O)C,TN
-ClCc1c2ccc3c(c2c(c2c1cccc2)C)cccc3,TP
-CCc1cc(cc(c1N)CC)c1ccccc1,FP
-CC1=CC2CCCCC2c2c1cccc2,TP
-OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,FP
-CCCO,TN
-COc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,TP
Nc1cccc(c1)[N+](=O)[O-],TP
-Cc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TP
-COc1cc(/C=C/C(=O)OC2CCC34C(C2(C)C)CCC2C4(C3)CCC3(C2(C)CCC3C(CCC=C(C)C)C)C)ccc1O,NA
-CC(=O)OC1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,TP
-OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCN=C(N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,TP
-CCOC(=O)CNC(=O)CCCCSc1[nH]cnc2-c1ncn2,NA
-CCCCCCCCCCCCCC[C@@H]1OC1,TN
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,TP
-[O-][N+](=O)c1cc2c(cc1)ncn2C,TP
-O=NN1CC[C@@H]([C@H](C1)Br)Br,NA
-CCC(=O)Nc1snc2c1cccc2,TN
-CCN(Cc1cc(ccc1O)Nc1ccnc2c1ccc(c2)Cl)CC,NA
-O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,TP
-ClC(Cl)Cl,NA
-COc1ccc(cc1)CNC(=O)C(Br)C,TP
-CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,TN
-Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,TN
-O=NN1CCOC(C1)O,TP
-O=C1CCC(=O)N1c1ccc(cc1)Cl,TN
+CC[C@@H](NCCN[C@@H](CO)CC)CO,TN
+Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,TN
+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,TN
Clc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
-O=C1c2cc(ccc2C(=O)c2c1cccc2[N+](=O)[O-])S(=O)(=O)O,TP
-C#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,TP
-ClCc1c2ccccc2c(c2c1cccc2)CCl,TP
-O=NN1C[C@H](C)N([C@@H](C1)C)N=O,TP
-[O-][N+](=O)c1cccc(c1)C(F)(F)F,TN
-OC1COC(C(C1O)O)NCCc1c[nH]c2c1cccc2,NA
-O=C(O[C@@H]1C[C@@](O)(C[C@@H]([C@H]1O)O)C(=O)O)/C=C\c1ccc(c(c1)O)O,TN
-[O-][N+](=O)c1c(C)c(cc2c1C(C)(C)CC2(C)C)[N+](=O)[O-],NA
-COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)O,FP
+OC1C=Cc2c(C1O)c1cc3ccccc3cc1c1c2cccc1,TP
+OC[C@@H](c1ccccc1)C(=O)O[C@@H]1C[C@@H]2N([C@H](C1)[C@H]1[C@@H]2O1)C,TN
+Cc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,TP
+Nc1ccc(cc1)Cl.Cl,TP
+C1CCc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,TP
+COc1ccc(cc1N)[N+](=O)[O-],TP
+[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
+CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,TP
+Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,TP
+CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,TN
+BrCCCCCBr,TP
+COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3,TP
+O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,TN
+O[C@H](COC(=O)C(=C)C)COc1ccc(cc1)C(c1ccc(cc1)OC[C@@H](COC(=O)C(=C)C)O)(C)C,TN
+CCOC(=O)c1ccccc1N,TN
+c1ccc(cc1)Cc1ccccc1OCC1CO1,TP
+CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C,TP
+ONc1ccc(cc1)N=Nc1ccccc1,TP
+CC[n+]1c2ccccc2nc2c1cccc2,TP
+O[C@@H](COc1cccc2c1OC[C@H](C2)O)CNC(C)C,TN
+Sc1nc2c(s1)cccc2,TN
O[C@@H]1[C@H](O)[C@@H](O)CO[C@H]1N(c1ccc(cc1)[N+](=O)[O-])N=O,TP
-OC(=O)C(CC(=O)c1cccc(c1N)O)N,TN
-C=O,NA
-O=NN1CC[C@H](C1)O,TP
-Oc1ccccc1c1ccccc1,FP
-Oc1ccccc1c1ccccc1,TP
-CC(=O)C1=C(O)C2N(C1=O)C(C1C2c2c[nH]c3c2c(C1)ccc3)(C)C,FN
-[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,TP
-c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,TP
-O=C[C@@H](c1c(O)cc2c(c1O)C(=O)c1c(C2=O)cc(cc1O)O)CCOC(=O)C,NA
-COc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
-O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,FN
-CC(=CCC[C@]([C@H]1CCC=CC1=O)(O)C)C,NA
-CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)CO)CC,TP
-CCOc1ccc2c(c1)sc(n2)N,TP
-OC[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)c1c(O)c2c(c(c1O)O)C(=O)c1c(C2=O)c(C)c(c(c1)O)C(=O)O,NA
-COc1c(Cl)ccc(c1C(=O)O)Cl,NA
-OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,TN
-O=C1OC2(c3c1cccc3)c1cc(I)c(c(c1Oc1c2cc(I)c(c1I)O)I)O,TN
-OCc1c2ccccc2cc2c1cccc2,TP
-CS(=O)(=O)O,NA
-CCCCCNCCCCC,TN
-OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,TN
-Nc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
-[O-][Cl](=O)(=O)=O,NA
-CC1=CCC(CC1)C(O)(C)C,TN
-OC1CC(C)(C)N(C(C1)(C)C)O,NA
-COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-O[C@@H](c1ccccc1)[C@H](N)C,TN
-O=CCC(CCC=C(C)C)C,TN
-Cn1cc2c(n1)cc(cc2)[N+](=O)[O-],TP
-Fc1ccc(cc1)C(=O)[C@H]1O[C@@H]1c1ccccc1,FN
-CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,TN
-C[C@H]1CCCC(=O)CCC/C=C\c2c(C(=O)O1)c(O)cc(c2)O,TN
-Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TN
-[O-][N+](=O)c1cccc2c1snc2,TP
-Clc1cc(Sc2cc(Cl)cc(c2O)[N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
-COC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
-CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,TN
-[O-][N+](=O)c1cc2c(o1)cc1c3c2ccc2c3c(cc1)ccc2,TP
-CCN(N(N=O)O)CC,NA
-O=Cc1ccc(c(c1)Cl)Cl,TN
-COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],TP
-O=NN1CCN(CC1)C,TP
-CNc1ccc(cc1)N=Nc1ccc(cc1)NC,FP
-Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
-OC(=O)CCCOc1ccc(cc1C)Cl,TN
-OCCOCC,TN
-O=C1OC(=O)c2c1c(Br)c(c(c2Br)Br)Br,NA
-[O-][N+](=O)c1ccc2c(c1)nc[nH]2,TP
-O=Cc1ccccc1[N+](=O)[O-],TP
-Oc1ccc(cc1)C(=O)O,TN
+Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,TP
+N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,TN
+O=C(c1ccccc1)OCc1ccc(cc1)[N+](=O)[O-],FN
+BrCc1ccc(cc1)CBr,TN
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,TN
+OCCNC(=O)[C@H](O)C,TP
+OCC1OC(C(C1O)O)n1cc(O)c(nc1=O)N,TN
+O1[C@@H]2[C@H]1c1cscc1-c1c2csc1,TP
+[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,FP
+[O-][N+](=O)c1ccc(c2c1cccc2)C,TP
+Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,TP
+OCC=C(CCC=C(C)C)C,TN
+Clc1ccccc1Cl,TN
+O=Cc1c(Cl)cccc1Cl,TN
+O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],TN
+CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,FP
+Cc1ccc2c(-c3ccccc3C2C)c1,TP
+c1cc2cccc3c2c(c1)CC3,FP
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,TP
C#CC1(O)CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12,TN
-OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
-Nc1ccc(cc1)NC(=O)c1ccc(cc1)C(=O)O,TN
-C/C(=C\C)/C(=O)OC1CCN2C1C(=CC2)CO,FP
-ClC=C(Cl)Cl,NA
-N#Cc1cccc2c1cccc2[N+](=O)[O-],TP
-O=C(c1ccc(cc1)[N+](=O)[O-])[C@H]1O[C@@H]1c1ccccc1,FN
-OCC[N+](C)(C)C,NA
+O=C1CCC2(C(=C1)C1CC1C1C2CCC2(C1C1CC1C12CCC(=O)O1)C)C,TN
+O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,TP
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-[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,TP
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-CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,TN
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-CCCCCCCCBr,FP
-CCO[C@@H]1O[C@H](OCC)C[C@H]2[C@@]1(C)C[C@H]1[C@@H](C[C@@H]2C)OC(=O)C1=C,NA
-CCOO,NA
-Cc1ccc2c(c1)cccc2C,FP
-O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccccc1,FN
-CC(C(C)(C)C)OP(=O)(F)C,TN
-CN([C@H](CN1c2ccccc2Sc2c1cccc2)C)C,TN
-O=C1c2ccccc2-c2c3c1cccc3c(cc2)O,TP
-[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,TP
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,TP
-FC(C(F)(F)F)(Cl)F,NA
-Cc1cnc2c(n1)cc(c1c2nc(n1C)N)C,TP
-O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,TN
-ClCCNCCCNc1c2ccccc2nc2c1cccc2OC,TP
-C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,TP
-[O-][N+](=O)c1ccc2c(c1)oc(=O)c1c2cccc1,TP
-COc1c2oc(=O)ccc2cc2c1occ2,FN
-SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
-Clc1ccc(c(c1Cl)O)Cl,TN
-OS(=O)(=O)Oc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,FP
-O1C[C@@H]1COc1cccc(c1)OC[C@@H]1OC1,TP
-Clc1c(S)c(Cl)c(c(c1Cl)Cl)Cl,NA
-c1cnc2c(c1)C=C[C@H]1[C@@H]2O1,FN
-CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,TN
-CCP(=O)(OCC)OCC,NA
-CC(c1ccc(cc1)O)(CC(C)(C)C)C,TN
-Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,TN
-Cc1cc(N)c(cc1C)C,TP
-Brc1cc(Br)c(c2c1C(=O)c1ccccc1C2=O)N,NA
-CCCCCCCC[C@H]1CO1,TN
-O=S1(=O)CCCC1,NA
-CCc1cc2ccccc2c2c1c1C3OC3C(C(c1cc2)O)O,TP
-CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
-CCc1ccccc1Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)Nc1ccccc1CC,TP
-C1CCC2C(C1)c1ccccc1C1C2O1,TN
-COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,TP
-Cc1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,TP
-Nc1ccc2c(c1N=Nc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,FP
-CN=NO,TP
-[O-][N+](=O)c1ccc2c(c1)c(cc1c2cccc1[N+](=O)[O-])[N+](=O)[O-],TP
-Nc1ccc(cc1)Cc1ccc(cc1)N,TP
-NCCCCCCN,TN
-O=Cc1ccc2c3c1ccc1c3c(cc2)ccc1,FN
-NC(=S)NCC=C,NA
-Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,TP
-CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,TN
-CCOCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
-CCO[P@@](=O)(Oc1ccc(c(c1)C)SC)NC(C)C,TN
-OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,TP
-O=Nc1c(C)n(n(c1=O)c1ccccc1)C,FN
-O=C(C1=C(C)OCCS1)Nc1ccccc1,NA
-Nc1cccc(c1C)N,TP
-[N-]=[N+]=NCC(C(=O)O)(N)C,NA
-Cc1c2cc(C)c(cc2c(c2c1cccc2)C)C,TP
-COc1cc(OC)c2c(c1)oc1c(c2=O)c(O)ccc1OC,TP
-O=CC1=C(O)C[C@H]2[C@@](C1)(C)[C@H]1CC[C@]3([C@@H]([C@@H]1CC2)CC[C@]3(C)O)C,TN
-OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,TP
-[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4ccc3,TP
-O=NN(COC(=O)C)C,TP
-COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],TP
-OC(=O)c1c(C(=O)O)c(Br)c(c(c1Br)Br)Br,NA
-O=C(c1cccc2c1nccc2)OCc1ccccc1,TN
-CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,TP
-C1=C[C@@H]2[C@H](C=C1)O2,NA
-OC(=O)C(CC(=O)c1ccccc1N)N,TN
-Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C,NA
-c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,TP
-Nc1ccc2c(c1)cccc2,TP
-ONc1ccc2c(c1)cccc2,TP
-BrC(C1=C(Cl)C(=O)OC1)Br,TP
-COC(=O)c1ccc(cc1)O,TN
-Cc1ccc(cc1)N(C(=O)C)O,TN
-CCCCNCCCC,TN
-OCCN(C(=O)OCC)N=O,TP
-CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,TN
-Oc1ccc2c(c1)cccc2,FP
-Brc1c(Br)c(Br)c(c(c1Br)Br)Br,NA
-CN(CCNC(=O)c1ccc2c(c1)nc1c(c2N)cccc1)C,FP
-OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,TN
-CN(C(c1ccccc1)(c1ccccc1)N(C)C)C,NA
-Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)C,NA
-Oc1ccc2c(c1)nccc2,TN
-OC(=O)C(Oc1ccc(cc1)[C@H]1CCCc2c1cccc2)(C)C,NA
-CCCC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,TP
-O=c1c2cccc3c2c2c(c1=O)cccc2cc3,FP
-O=NN(CC(=O)C)C,TP
-Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,TN
-[N-]=[N+]=NCCc1ccccc1,NA
-Nc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],TP
-CN(CCNC(=O)c1cccc2c1Oc1ccccc1O2)C,TP
-Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1,TN
-OCCOc1cc(Cl)c(cc1Cl)Cl,NA
-O1CC1,FN
-O=NN(Cc1ccc(cc1)Cl)C,TP
-COP(=S)(OC)OC,NA
-CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C,TN
-O=NN(C(=O)[C@@H]1CCCN1C(=O)C)CC(=O)O,TP
-O=CC1=CC(C)C2C(C=C1C=O)CC(C2)(C)C,FP
-Cc1cc2ccccc2c2c1c1ccccc1c(c2)[N+](=O)[O-],TP
-COc1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-CC(c1cccc(c1O)C(C)(C)C)(C)C,TN
-COc1ccc(ccc1=O)[N+](=O)[O-],TP
-C[C@@H]1O[C@H]1c1ccccc1,FP
-c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,TN
-CC(Cc1ccc(cc1)C(=O)C)C,NA
-CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,TN
-Clc1ccc(c(c1)Cl)Oc1ccc(cc1)N(C(=O)C)O,TP
-Nc1ccc2-c3c(Cc2c1)cc(cc3)N,TP
-CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,FP
-CCC(=O)N(c1ccc(cc1)c1ccccc1)O,TP
-COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
-Nc1cnc2c(c1)c1ccccc1cc2,TP
-CNc1ccc(cc1)O,FN
-C/C=C\C=C/C=O,TP
-O=C1C=Cc2c(C1=O)cccc2,FN
-OC1C2OC2c2c(C1O)cc1c(c2)c2ccccc2c2c1cccc2,TP
-CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,NA
-S=c1scc(s1)c1ccccc1,NA
-c1ccccc1,NA
-CC(COC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,TN
-Clc1cc(O)c(c(c1)Cl)Cl,TN
-O=NN(N(C(=O)/C(=N\O)/C(=O)C)c1ccccc1)C,NA
-CSc1ccc(cc1C)OP(=S)(OC)OC,FP
-C=CCOC(=O)c1ccccc1N,TN
-COc1ccc(cc1O)C1CC(=O)c2c(O1)cc(cc2O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O,TN
-C=C[C@H]1CCC=CC1,NA
-C1CCC2C(C1)c1ccccc1C=C2,TP
-Cc1cc2nc3-c(n(c2cc1C)C)nc(=O)[nH]c3=O,NA
-NC(=O)CN1C[C@@H](CC1=O)O,NA
-OC(=O)CCCC(=O)O,TN
-C=CCc1ccc(c(c1)OC)O,TN
-Clc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
-CC(C=O)CC,TN
-CCOP(=S)(SCSC(C)(C)C)OCC,TN
-Cc1ccc(cc1C)S(=O)(=O)O,TN
-CC(=O)Nc1ccc(cc1)/C=C/C(=O)c1ccccc1,FN
-C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CO,TN
-Oc1ccccc1O,FP
-Cl/C=C/CSCC(C(=O)O)N,NA
-CC(=O)O[C@@H]1Cc2c3c1c(C)ccc3cc1c2ccc2c1cccc2,TP
-Brc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
-Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,FP
-O1CC1COc1ccc(cc1)Cc1ccccc1,TP
-O=NN1CCC=CC1,NA
-O=Nc1ccc(cc1C(C)(C)C)c1ccccc1,TP
-O=N#Cc1cc(C)cc(c1)C#N=O,NA
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,TP
-ClCc1c2ccccc2c(c2c1cccc2)Cl,TP
-O=NN(C(=O)N)CCC[C@H](C(=O)O)N,TP
-O=CN(c1cccc(c1)Cl)O,TN
-C1COCCOC2CCCCC2OCCOCCOCCOC2C(OCCO1)CCCC2,TN
-CCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C,FN
-CCCCN(CC(c1ccc(cc1)O)O)N=O,NA
-CNc1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C,TP
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,TP
-CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,TN
-COc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,TP
-Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,TP
-CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)C,NA
-CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,TN
-Nc1c2CCCCc2nc2c1cccc2,NA
-C[n+]1cccc(c1)C(=O)O,NA
-[O-][N+](=O)c1ccccc1c1ccccc1,FP
-C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C,TN
-OCC1OC(CC1O)n1c(O)nc2c1nc(N)nc2O,TN
-N#Cc1cccc2c1nccc2,NA
-O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-ClC(C(=O)C(Cl)(Cl)Cl)Cl,NA
-O=NN(C(=O)N)CCC(=O)O,TP
-OCc1ccc(cc1)OC,TN
-Oc1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,TP
-Brc1ccc(cc1)C(=O)/C=C/c1ccccc1,TN
-Sc1ccc(cc1)[N+](=O)[O-],TP
-N#Cc1ccc(cc1)/C=C/c1ccc(cc1)N,TP
-COc1ccc(cc1N)[N+](=O)[O-],TP
-O[C@@H]1[C@@H](O)C[C@@](C[C@H]1O)(O)C(=O)O,NA
-BrC(=C)C(=O)O,NA
-CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,TP
-Nc1cc(N)c(cc1N=Nc1cccnc1)C,TP
-CCCCOP(=O)(Oc1ccccc1)OCCCC,TN
-OCCC(C)C,NA
-Nc1ccc(cc1)N=Nc1ccccc1,TP
-OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,TP
-Nc1nc(N)c2c(n1)nc[nH]2,TN
-N#Cc1ccccc1[N+](=O)[O-],FP
-OC(=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,TN
-OC(=O)/C=C/c1ccccc1[N+](=O)[O-],FP
-Nc1ccc(c2c1cccc2)S(=O)(=O)O,TN
-CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,TN
-CCOP(=O)(Oc1noc(c1)c1ccccc1)OCC,NA
-CCCCON(C(=O)c1ccc(cc1)C)OC(=O)C,TP
-C/C=C(/C=O)\Cl,TP
-OC(=O)CCC(=O)Nc1ccc(c(c1Cl)Cl)Cl,TN
-OC(=O)CCC(=O)CC(=O)C,NA
-ClC(C1=C(Cl)C(=O)OC1)Cl,TP
-O=C(C(=C)C)OCCCCOC(=O)C(=C)C,TN
-CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,TN
-CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,TP
-NCCNCCN,FP
-COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,TN
-N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,TP
-c1ccc2c(c1)[nH]nn2,FN
-CC(=O)/C=C\c1ccc2c(c1)OCO2,TN
-O=NN(C(=O)c1n(C)cnc1N(C(=O)OC(C)(C)C)C)C,NA
-Cc1ccc2c(c1)c1cc3ccccc3cc1cc2,TP
-Fc1ccc(cc1)C(=O)/C=C/c1ccccc1,TN
-O[C@H]1Cc2c3c1c1ccc4c(c1cc3ccc2C)cccc4,TP
-COC(=O)[C@H]1c2cc3C(=O)c4cccc(c4C(=O)c3c(c2[C@@H](C[C@@]1(O)CC)O)O)O,TP
-C=Cc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,NA
-OCCc1ccccc1,FP
-CCC=O,NA
-O=C(C1CCC2C(C1)O2)OCC1CCC2C(C1)O2,NA
-OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,TP
-ClCC[N+](C)(C)C,TN
-COC(=O)c1ccccc1NC,TN
-CCOc1cccc(c1)[N+](=O)[O-],FP
-FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,TP
-CC(COC(=O)C(=C)C)O,TN
-ONc1ccc2c(n1)n1cccc(c1n2)C,TP
-COc1cc(C=O)c(cc1OC)OC,TN
-COc1nsc2c1cccc2OCC1CO1,TP
-Clc1cc2NCNS(=O)(=O)c2cc1S(=O)(=O)N,NA
-OC1C=Cc2c(C1O)c1cc3ccc4c(c3cc1cc2)cccc4,TP
-Cc1cscc1,NA
-CN(C#N)C,NA
-CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O,NA
-COC(=O)c1cc2OCOc2c2c1ccc1c2cccc1OC,TP
-CCOC1=CC(=O)C(=CC1=O)NC(=O)C,NA
-BrC(C(Br)(Br)Br)Br,NA
-CNC(=O)Nc1ccccc1,TN
-Cc1cc(C)c(c(c1N)C)N,TP
-CCNc1nc(NC(C)C)nc(n1)O,NA
-C[C@H](CCl)O,FN
-Nc1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
-[O-][N+](=O)CCO,NA
-COc1ccc(c(c1)O)C(=O)c1ccccc1,FP
-OC(=O)c1ccccc1C(=O)O,TN
-CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,TP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,TP
-Nc1sc2c(-c3cccnc3CC2(C)C)n1,TP
-CCCC[C@H](COC(=O)C=C)CC,TN
-Oc1ccccc1/C=N/c1snc2c1cccc2,FP
-CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,TP
-Oc1cccc(c1)Nc1ccccc1,FP
-CCN(C(=S)SCC(=C)Cl)CC,NA
-Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,TN
-CCN(C#N)N=O,NA
-OCOC(C)(C)C,NA
-BrCC(COP(=O)(OCC(CBr)(Br)C)OCC(CBr)(Br)C)(Br)C,NA
-CO[C@@]12[C@H]3N[C@H]3CN2C2=C([C@@H]1COC(=O)N)C(=O)C(=C(C2=O)C)N,NA
-CCCCCCCC(=O)O,TN
-Oc1ccc2c(c1)c1c(cc2)ccc2c1ccn2C,TP
-CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,TP
-[O-][N+](=O)c1c(N)cccc1O,TN
-c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,TP
-OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,TN
-c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,TP
-O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,TN
-O=Cc1cc(OC(=O)C)c2c(c1)N1CC3C(C(C2COC(=O)N)(O1)OC(=O)C)N3C(=O)C,NA
-OC1C2OC2c2c(C1O)c1cccnc1cc2,FP
-CN(c1ccc(cc1)N(C)C)C,FN
-CCCN(c1snc2c1cccc2)C(=O)CCCl,FN
-ClCCN(CCCl)CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C,TP
-[O-][N+](=O)c1cnc(s1)N,NA
-[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc1c3CCCC1,TP
-CCCCCCCCCCCCCCCCCCN,TN
-[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O,FP
-c1ccc2c(c1)cc1c(c2[C@@H]2CO2)ccc2c1cccc2,TP
-Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,TN
-CCCCCCC=O,TN
-COc1cc(cc(c1O)OC)[C@H]1[C@@H]2C(=O)OC[C@@H]2[C@@H](c2c1cc1OCOc1c2)O[C@@H]1O[C@@H]2CO[C@H](O[C@H]2[C@@H]([C@@H]1O)O)c1cccs1,FN
-ClC(Br)(Cl)Cl,NA
-CC[C@@H]1NC(=O)c2c(N1)cc(c(c2)S(=O)(=O)N)Cl,NA
-Oc1nc2c(C)cccc2nc1O,NA
-[O-][N+](=O)c1cccc2c1nc1ccccc1n2,TP
-[O-][N+](=O)c1cc(ccc1c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
-O=NN(Cc1ccc(cc1)Br)C,TP
-CNc1ncnc(c1)Oc1ccc(cc1)N,NA
+C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,TN
+CCCCSCC[C@@H](C(=O)O)N,TN
CC(=O)Nc1ccc(cc1)c1ccc(cc1)NC(=O)C,TP
-CC(=O)Nc1ccc(cc1)Oc1ccccc1,TP
-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],TP
-COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,TN
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-[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],TP
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-[O-][N+](=O)c1cc(ccc1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
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-[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],FN
-Nc1ccc(cc1)S(=O)(=O)Nc1cnc2c(n1)cccc2Cl,NA
-[O-][N+](=O)c1cccc2c1n[nH]c2,TP
-ClCCNCCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl,TP
-[O-][n+]1cnc2c(c1N)ncn2C(c1ccccc1)c1ccccc1,TP
-CCCCCN,TN
-CC/C=C/1\OC(=O)c2c1cccc2,NA
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-COc1cc(ccc1Nc1c2ccccc2nc2c1cccc2)NS(=O)(=O)C,TP
-CCCCCCCOc1ccccc1NC(=O)OC(CN(CC)CC)C,TN
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-CCCCOCC(=O)O,NA
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-COc1ccc2c(c1)C1CCCCC1C=C2,FN
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-CC(c1cc(Cc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C)cc(c1O)C(C)(C)C)(C)C,TN
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-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,TP
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-Brc1ccc2c(c1)C1OC1C1C2CCCC1,TN
-CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC1CCC3C1(C(CC2)c2ccoc2C=C1)C,NA
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-[O-][N+](=O)c1ccc(c(c1)N)N,TP
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-CCCCOCC=O,NA
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-O=C(c1ccc(cc1)N)OCCCOC(=O)c1ccc(cc1)N,TN
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-O=C(C(=C)C)OCCOC(=O)C(=C)C,TN
-CCCCCCCCCCCC(=O)O,TN
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-OC(=O)C(Br)(Br)Br,NA
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-Ic1cc2cccnc2c(c1)C(=O)O,TN
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-[O-][N+](=O)c1cccc2c1cccc2[N+](=O)[O-],TP
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-[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,TP
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-[O-][N+](=O)c1ccc(cc1)Nc1[nH]cnc2-c1ncn2,FP
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-[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1[N+](=O)[O-],TP
-C[Si](N[Si](C)(C)C)(C)C,NA
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-[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],TP
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-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1,TP
-CCOP(=S)(S[C@@H]1OCCO[C@H]1SP(=S)(OCC)OCC)OCC,NA
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-OCCCNP(=O)(N(CCCl)CCCl)O,TP
-OCC(Cl)(Cl)Cl,NA
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-O=CNc1ccccc1,FP
-CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,TP
-CC(C1=CC(=O)C(=CC1=O)C)C,TN
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OC1OC(=O)C(=C1Cl)Cl,TP
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-CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,TP
-O1C2C1c1cscc1-c1c2csc1,NA
-CC(OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC(C)C)N)C,TN
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-Oc1cccc2c1C(=O)c1c(C2)cccc1O,FP
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-CC(=O)c1cccn1[N+](=O)[O-],NA
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-Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,FN
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-Nc1ncnc2c1ncn2C(c1ccccc1)c1ccccc1,TP
-Br/C=C/c1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,TN
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-OCC1C=CC(C1)n1cnc2c1nc(N)nc2O,NA
-COC(=O)c1c2C=CC(Oc2c2c(c1O)cccc2)(C)C,NA
-C=CC(=O)OC(C)(C)C,NA
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-CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,FN
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-O=C(C(Br)(C)C)NCc1ccccc1,NA
-COP(=O)OC,NA
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-CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,TN
-[O-][N+](=O)c1n(C)cnc1c1ccccc1,TP
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-BrCC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],TP
-CCN(c1ccc2c(c1)oc(=O)cc2C)CC,TN
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-O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)O,TP
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-CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)(C)O,NA
-CCCCBr,FN
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-CCCCOB(OCCCC)OCCCC,NA
-O=C1CCCCCCCCCCCC(=O)OCCO1,TN
-[O-][N+](=O)NC(=N)N(N=O)CCC,TP
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-OCCCC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,TN
-ClCCCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,TN
-CCCC=O,TN
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+OC(=O)c1cc(/N=N/c2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,TN
+Oc1c2cc(N)c(cc2cc(c1N=Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,TN
+OCC1OC(CC1O)n1cnc2c1ncnc2N,FP
+NC(=O)c1c(Cl)cccc1Cl,TN
CCCCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCCC,TP
-Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],TP
-[O-][n+]1ccc(cc1)[N+](=O)[O-],NA
-ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,NA
-n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,TP
-ClNc1ccc2-c3c(Cc2c1)cccc3,TP
-[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,TP
-Cc1ccc(c2c1c1ccccc1[nH]2)C,TP
-Cc1cc2ncccc2c2c1n(C)cn2,FP
-C/C=C\1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3,FN
-CC(CNc1snc2c1cccc2)C,TN
-[O-][N+](=O)c1ccc2c(-c3ccccc3C2=O)c1,TP
-Nc1ccc2-c3c(Cc2c1)cccc3,TP
-CN(c1ccc(cc1)N=Nc1ccc2c(c1)cn[nH]2)C,TP
-BrCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
-[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C#N,TP
-Cc1cc(C)c2c(c1)ccc1c2cccc1,TP
-OC(=O)c1ccc(cc1N)[N+](=O)[O-],TP
-CC(C(O)C)O,TN
-CCC1(OCCc2c1[nH]c1c2cccc1C)CC(=O)O,TN
-Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,TP
-[O-][N+]1(C)CCC(=CC1)c1ccccc1,NA
-CC(=O)Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NC(=O)C,NA
-COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,NA
-CNc1c(C)cc2c(c1N)cccn2,FP
-COc1nncc2c1cccc2,TN
-CCC1OC(=O)C(C)C(OC2OC(C)C(C(C2)(C)OC)O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(CC(CN(C(C(C1(C)O)O)C)C)C)(C)O,TN
-Clc1ccc(c(c1)C(=O)O)O,TN
-O=NN1C[C@H](C)C(=O)NC1=O,TP
-ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,TP
-CC(c1ccc(c2-c(c1)c(C)cc2S(=O)(=O)O)C)C,TN
-COc1ccc(cc1)[N+](=O)[O-],TP
-c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,TP
-O=C1CCCc2c1ccc1c2ccc2c1cccc2,TP
-Nc1cccc(c1)N,TP
-O=NN1CCN(CC1)N=O,TP
-C[N+](Cc1ccccc1)(C)C,TN
-O=C=Nc1cccc2c1cccc2N=C=O,NA
-CCCCCCCCCCCCS,TN
-COc1cccc2c1cc1NC(=O)c3c1c2c1OCOc1c3,TP
-S1CCSCC1,NA
-O=C([C@@H]1OC1(C(=O)N)C(=O)N)c1ccccc1,NA
-CCCCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,TP
-Nc1ccc(cc1C)Cc1ccc(c(c1)C)N,TP
-O=CC(Cl)(Cl)Cl,NA
-CCCCCC/C=C\CCCCCCOC(=O)C,TN
-Oc1ccc2c(c1)cccc2S(=O)(=O)O,TN
-CC1CCCC(=O)CCCCCc2c(C(=O)O1)c(O)cc(c2)O,TN
-CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,TN
-CCN(c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-])CC,TP
-Nc1ccc2c(c1)cccn2,FP
-OC(=S)c1ccccc1,NA
-CCOP(=O)(Oc1cc(C)nc(n1)C(C)C)OCC,FN
-COC(CCOC(=O)C)C,NA
-OCC(C(C(C(C(=O)O)O)O)O)O,TN
-CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)O)cccc2,TP
-OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],TP
-O=c1[nH]c(=O)[nH]c(=O)[nH]1,TN
-Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
-CCCCCC(=O)OC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12)C(=O)C,TN
-O=NN1CCC[C@@H](C1)O,TP
-ClCC(=O)c1ccc(cc1Cl)Cl,NA
-[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,FN
-[O-][N+](=O)c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,TN
-Nc1ccc2c3c1-c1ccccc1-c3ccc2,TP
-CC(=O)OCc1ccc(cc1)N=Nc1ccc(cc1)COC(=O)C,TP
-BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,TP
-O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,TP
-O(CC1CCC2C(C1)O2)CC1CCC2C(C1)O2,NA
-ON1c2ccccc2C(=O)C1(C)c1ccccc1,NA
-c1ccc2c(c1)ccc1c2cc2c(c1)ccc1c2cccc1,TP
-COc1cc(OC)c2c(c1)OC1C2C=CO1,NA
-BrCC(Br)(Br)Br,NA
-C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,FN
-CNN=NC,NA
-N#N=Nc1nc2c(n1C)c(C)cc1c2cccn1,TP
-COC(=O)C1=C(C)N=C(C(=C(OCCc2ccc(cc2)N2CCN(CC2)C(c2ccccc2)c2ccccc2)O)C1c1cccc(c1)[N+](=O)[O-])C,TN
-OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,TP
-O=c1c2cc3ccccc3c3c2c2c(c1=O)cccc2cc3,TP
-Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
-CN(C(=S)N(C)C)C,NA
-CCCCCCCCCCCCCCN(c1ccc2-c3c(Cc2c1)cccc3)OC(=O)C,NA
-C=C=O,NA
-OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],FP
-C=Cc1ccccc1Cl,TN
-BrCc1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
-ClCCc1cn(C2CC(C(O2)CO)O)c(=O)nc1N,TN
-NC(=S(=O)=O)N,NA
-Fc1cnc2c(c1)ccc1c2cc(F)cn1,FP
-O=CN(/C(=C(\SC(=O)c1ccccc1)/CCOC(=O)c1ccccc1)/C)Cc1cnc(nc1N)C,TN
-OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,FP
-Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
-O=C1C=CC(=O)c2c1c(O)c(c(c2O)Cl)Cl,FN
-OCCOCCOC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C,TN
+Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,TN
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TP
+Nc1ccc(c(c1C)N)/N=N/c1ccccc1,TP
+O=C1CCC(N1C)c1cccnc1,TN
+OC(=O)C1OC(Oc2ccc3c4c2ccc2c4c(cc3)cc3c2cccc3)C(C(C1O)O)O,TN
+OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,TN
+Fc1ccc(cc1)[C@@H]1O[C@H]1C(=O)c1ccccc1,TN
+N[C@@H](C(=O)O)Cc1ccccc1,TN
+OCc1c(O[C@H]2O[C@H](CO[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
+OC(=O)CC[C@@H](C(=O)O)N,TN
+OC[C@H](CN(C[C@H](O)C)N=O)O,TP
+CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,TN
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccsc1C(=O)O,TN
+CN(c1ccc(cc1)N)C,TP
+BrCC(=O)Nc1ccc(cc1)C,TN
+Oc1cc2ccccc2c2c1c1ccccc1cc2,FP
+O=Cc1cccc(c1)Cl,TN
+[O-][N+](=O)c1ccccc1Nc1ccccc1,FP
+OC1C(O)C2OC2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,TP
+N#CCNC(=O)c1cnccc1C(F)(F)F,TN
+O=C(/C=C/c1ccc(o1)[N+](=O)[O-])N/N=C/c1ccc(o1)[N+](=O)[O-],TP
+CC(=O)Nc1scc(n1)/C=C\c1ccc(o1)[N+](=O)[O-],TP
+c1ccc2-c3cc4ccc5c(c4cc3[C@@H]3[C@H](c2c1)N3)cccc5,TP
+C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,TP
+COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],FP
+ClCc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,TP
+OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,TN
+N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,TP
+CN(CCCN1c2ccccc2CCc2c1cccc2)C,TN
+c1ccc2c(-c3ccc4c(c3C2)c2ccccc2cc4)c1,TP
O=CN(c1ccc(cc1)Oc1ccc(cc1)NC(=O)C)O,TP
-Brc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
-Fc1cnc2c(c1)cccc2,TN
-[O-][N+](=O)c1c(C)cccc1C(=O)O,TP
-O=C(/C=C/c1ccccc1)OC/C=C/c1ccccc1,NA
-CCOP(=S)(OP(=S)(OCC)OCC)OCC,NA
-O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N,TN
-O[C@H]1[C@H](O)c2nc3ccc4c(c3cc2-c2c1cccc2)cccc4,FP
-CC(CN(CC(C)C)CC(C)C)C,NA
-[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,TP
-BrCc1ccc(cc1)Br,TN
-O=Cc1c(Cl)cccc1Cl,TN
-CNc1nc2c(n1C)ccc1c2cccn1,TP
-ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,FP
-NCCN,FN
-Nc1sc2c(n1)C1CCCNC1CC2,NA
-O[C@@H]([C@@H](C(=O)O)O)C(=O)O,TN
-OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,FN
-c1scc(n1)c1nc2c([nH]1)cccc2,NA
-c1scc(n1)c1nc2c([nH]1)cccc2,NA
-CCCCOc1ccc(cc1)CC(=O)NO,NA
-[O-][N+](=O)c1nc2c([nH]1)cccc2,TP
-Nc1ccc2c(n1)n1cccc(c1n2)C,TP
-Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,TP
-[O-][N+](=O)c1ccc2c(c1)cc(c1c2cc(cc1)[N+](=O)[O-])[N+](=O)[O-],TP
-NC(=O)c1cccc(c1)[N+](=O)[O-],TP
-Cc1ccc2c(c1)ccc(=O)o2,FP
-OC1CCC2(C(=CCC3C2CCC2(C3CCC2=O)C)C1)C,TN
-ONc1ccccc1,TP
-[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,TP
-ONc1ccc(cc1)C,TP
-COc1ccccc1[N+](=O)[O-],TP
-Oc1nncc2c1cccc2,TN
-Cc1cc(C)c(c(c1)C)N,TP
-CC(C1=CC(=CC=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C)(C)C,TN
-[O-][N+](=O)c1ccc(o1)/C=N/n1c(=O)cc(cc1c1ccccc1)c1ccccc1,NA
-O=C1COC(=C1O)C,NA
-[O-][N+](=O)[C@@H](CC)Cl,NA
-COC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OC)N,FN
-[O-][N+](=O)c1ccc(o1)CNCCO,NA
-COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,FN
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O,FN
-Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,TN
-COc1cc(CCC(=O)C)ccc1O,TN
-CN[C@@H]([C@H](c1ccccc1)O)C,TN
-NCCc1ccc(c(c1)O)O,FN
-CCCC/C=C/C=O,FN
-COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,TP
-CC1=CC(O)C2CC1C2(C)C,TN
-ICCc1ccc(cc1)OCc1ccccc1,FN
-CCOC(=O)c1[nH]c2c(c1/N=C/c1cc(OC)c(c(c1)OC)OC)cccc2,TP
-O=C1N[C@H](Nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],NA
-C=CC(=O)N1CCN(CC1)c1ccccc1,NA
-CC(=O)c1ccc(s1)[N+](=O)[O-],NA
-n1ccncc1,NA
-CC1c2ccccc2-c2c1cccc2,TP
-CC(c1cc(Br)c(c(c1)Br)O)(c1cc(Br)c(c(c1)Br)O)C,NA
-COC=C,NA
-OC1C(OC(C(C1O)O)COC1OCC(C(C1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,FP
-ClC(C(=O)O)Cl,NA
-O=C1c2ccccc2-c2c3c1cccc3ccc2,FN
-BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,TP
-CCOCN(c1c(C)cccc1CC)C(=O)CCl,FP
-[O-][N+](=O)c1ccccc1S(=O)(=O)O,TN
-CCCCCCC(=O)OCC,TN
-CC(OC(Cl)(C)C)(Cl)C,NA
-CCOc1ccc(cc1)N=[N+](c1ccc(cc1)OCC)[O-],FP
-Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
-O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],TP
-CC(=C)C(=O)OC[C@H]1CO1,FN
-Cc1ccc2c(c1)C1C(=N2)N(C)c2c(C1C)cccc2,TP
-[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,TP
-COC(=O)C(NC(=O)C)CSCC(c1ccccc1)Br,FP
-Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TP
-ClCC(=O)c1ccc(cc1)NC(=O)C,NA
-OCNC(=O)CCl,NA
-ClCc1ccc(cc1)c1nc2-c(c1)c([nH]cn2)N[C@@H](c1ccccc1)C,NA
-O=CC1=CC2(O)CC(CC2C(C=C1C=O)C)(C)C,TP
-COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,TN
-c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,FN
-OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,NA
-OCCI,NA
-C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,TN
-Clc1ccc(cc1)S(=O)O,NA
-O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,TN
-Oc1ccccc1c1nc2c(o1)cccc2,TN
-ClCCC(=O)N(c1snc2c1cccc2)CC(C)C,FP
-O=C=Nc1ccc(cc1OC)c1ccc(c(c1)OC)N=C=O,NA
-ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,TN
-[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])C(F)(F)F,FP
-CCCCN(CCC(=O)O)N=O,TP
-Clc1ccc2c(c1)oc1c2cccc1,FN
-COc1cc(OC)c(cc1C1OC1C)OC,NA
-NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-COc1c2OCOc2cc2c1nc1occc1c2OC,TP
-Oc1ccc(cc1)Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-CCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,TP
-OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,TP
-[O-][N+](=O)c1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
-CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,FN
-CCCCCCCCCC(=O)O,TN
-NC(C(=O)O)CSC(C(Cl)F)(F)F,TN
-COc1c2ccc(=O)oc2c(c2c1cco2)OC,FP
-CNC(=O)Oc1cccc2c1OC(C2)(C)C,TN
-NC(C(=O)OC(C)(C)C)CN=N#N,TP
-CCCCOC(=O)COc1ccc(cc1Cl)Cl,TN
-Nc1ccc(c(c1Cl)Cl)Cl,TN
-Cc1cc2cccc3c2c2c1cc1ccccc1c2cc3,TP
-C/C=C\C=C,NA
-Clc1cccc2c1nccc2,TP
-OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,TP
-CN(CCO[C@@H](c1ccccc1C)c1ccccc1)C,TN
-CC[C@]1(OCCc2c1[nH]c1c2ccc(c1CC)O)CC(=O)O,FN
-O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@@H]1CC[C@@H]2C(=O)C)C)C,NA
-[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C,TP
-Nc1cc(N)c(cc1N=Nc1ccc(cc1)S(=O)(=O)O)C,TP
-CC[N+](=C1C=CC(=C(c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,TP
-Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
-Cc1c2cc(C)c3c(c2nc2c1cccc2)cccc3,TP
-O=C/C(=C(/C(=O)O)\Br)/Br,NA
-O=C1CSC(=S)N1,NA
-N#C/C(=N\OC(=O)OC(C)(C)C)/c1ccccc1,NA
-BrCC=C,NA
-CCC(n1c(=O)[nH]c(c(c1=O)Br)C)C,NA
-[O-][N+](=O)c1ccc(o1)c1cscn1,TP
-NC(=N)NN=C(/C=C\c1ccc(o1)[N+](=O)[O-])/C=C\c1ccc(o1)[N+](=O)[O-],TP
-O=S1OC[C@H]2[C@H](CO1)[C@@]1(C([C@@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,TN
-Clc1ccc(c(c1)Cl)Cl,TN
-N#C[C@@H]1COCCN1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,FP
-O=NN(Cc1cccc(c1)OC)C,TP
-[C-]#[O+],NA
-CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl,TP
-Cc1cc(C)cc(c1)N,FN
-Oc1c(Cl)cc(c(c1Cl)Cl)Cl,TN
-CC(=O)Oc1cccc2c1nccc2,FP
-Fc1cc(F)c2c(c1)nccc2,TP
-CCCCCCCCCCOC(=O)C(=C)C,TN
-O=C(c1ccccc1)C(=O)C,NA
-Cc1ccc2c(c1)c(C)c1c(c2)cccc1,TP
-OCC1OC(CC1O)n1cnc2c1ncnc2N,TN
-CC(S)C,NA
+OC1C2OC2c2c(C1O)ccc1c2cccn1,FP
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+[O-][N+](=O)c1cc(ccc1C)C(=O)O,TP
+CCc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+Cc1cnc(c(n1)C)C,TN
+Cn1c(N)nc2c1cc(cn2)c1ccccc1,TP
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+[O-][N+](=O)c1ccccc1[O-].[Na+],FP
+COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,TN
+CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,TP
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+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,TN
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+CC(CC(=O)C)C,TN
+C#C[C@]1(O)CC[C@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O,TN
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+Clc1ccc2c(c1)c(N)sn2,TP
+COc1ccc2-c3c4OCOc4cc4c3c(C(=O)c2c1)ncc4,TP
Clc1cccc2c1cc1ccccc1c2,FP
-c1ccc2c(c1)c1ccc3c4c1c(c2)sc4ccc3,TP
-CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)c(cc1)O,TP
-Cc1ccc(cc1)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)O,FP
-CC(=O)N(c1ccc(c(c1)Cl)Cl)O,TN
-OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,TP
-ClC(c1ccccc1)C(=O)NCc1ccccc1,NA
-O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O,TN
-Clc1c2Oc3c(Oc2c(c(c1Cl)Cl)Cl)c(Cl)c(c(c3Cl)Cl)Cl,NA
-OCC1OC(CC1O)n1cc(C=O)c(=O)[nH]c1=O,TN
-O1C(C1c1ccccc1)c1ccccc1,FP
-OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,FP
-OC1C2OC2c2c(C1O)ccc1c2ccc2c1CCC2,TP
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-O=NN1C(Cc2c(C1C)[nH]c1c2cc(cc1)[N+](=O)[O-])C(=O)OC,NA
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-COc1ccc2c(c1)oc(=O)cc2CBr,TN
-Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,TP
-Nc1ccc2-c3c(Cc2c1C(C)(C)C)cccc3,FP
-c1ccc2c(c1)cccc2,FP
-COc1ccc(cc1)O,TN
-Oc1ccc2c(c1)c1c(cc2)ccc2c1CCN2C,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,TP
-C[C@H](CNC[C@H](O)C)O,NA
-c1ccc2c(c1)[nH]cn2,NA
-OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CCC(=O)O,TN
-COP(=O)(SC)OC,NA
-CCc1ccnc2c1cccc2,FP
-CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C,TN
-[O-][N+](=O)[CH-]CCC,TN
-Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O,TN
-CCOP(=S)(Oc1nn(c(n1)Cl)C(C)C)OCC,NA
-OC(=O)/C=C/c1ccc(cc1)N,TN
-ClCc1ccc(cc1)F,NA
-Cc1ccc(c(c1)C)C,TN
-CCOCC(=O)O,NA
-ONc1ccc(cc1)Oc1ccccc1,TP
-NC(C(=O)O)Cc1ccccc1,TN
-Nc1ccc(cc1N)c1ccc(c(c1)N)N,TP
-Cc1cc2c(O)cccc2c2c1cc1ccccc1c2,TP
-COc1ccc(cc1OC)C(=O)N1CCN(CC1)c1ccc2c(c1)CCC(=O)N2,NA
-CCCC(=O)OCC,TN
-OC1CCC2(C(C1)CCC1C2CC(=O)C2(C1CCC2C(CCC(=O)O)C)C)C,TN
-[O-][N+](=O)c1ccc2c3c1C=Cc3ccc2,TP
-C=CC(=O)OCC(COC(=O)C=C)(C)C,TN
-O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,TP
-Oc1cccc(c1C)O,TN
-Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,FN
-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,TP
-C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C,TN
-CC(OS(=O)(=O)c1ccc(cc1)C)C,FN
-Nc1cccc2c1nc1c(N)cccc1n2,FP
-CN(CC[C@H](c1ccccn1)c1ccccc1)C,TN
-Clc1ccc(cc1)[N+](=O)[O-],TP
-CCc1cnccn1,TN
-Nc1scc(n1)c1scc(c1)[N+](=O)[O-],TP
-ClC/C(=C(/C(=O)O)\Cl)/C(Cl)Cl,TP
-O=Cc1ccc(cc1)N,FP
-OS(=O)(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,TP
-Oc1ccc(c2c1C(=O)c1c(Cl)ccc(c1C2=O)O)Cl,NA
-OS(=O)(=O)ONNCCc1ccccc1,NA
-OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],FN
-CNc1ccc2c(c1C)nc(cn2)C,TP
-CC(=O)Nc1cccc2c1cccn2,FP
-OC(=O)CC(C(=O)O)O,NA
-OC1C=Cc2c(C1O)ccc1c2nc2ccc(cc2c1C)C,TP
-C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1,NA
-COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,TP
-CCOc1cccc2c1nccc2,FP
-O=C(c1ccccc1)/C=C/c1ccccc1,TN
-CCOC(=O)CCl,NA
-C#CCOCC[n+]1ccccc1/C=N/O,NA
-O=C1C=C(C)C(=O)C(=C1)C,TN
-ClCCN(CCCl)CCCl,FP
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1[nH]2,TP
-NC(C(=O)O)CN=N#N,TP
-Oc1ccc2c(c1)nc(n2C)N,FP
-CS(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,TP
-OCCn1c(CO)ncc1[N+](=O)[O-],TP
-OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,TN
-CCN=NC(OO)(C)C,FP
-COC(=O)C,NA
-ClCC(Cl)Cl,NA
-O=CC1=CC(C)C2C(C(C1C=O)O)CC(C2)(C)C,NA
-[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,TN
-CC(=O)NN,NA
-Nc1ccc(c(c1)O)C,TP
-CCCCOC(=O)c1cccc2c1nccc2,TN
-COc1ccc2c(c1)[nH]c1c2ccnc1C,TP
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-[O-][N+](=O)c1c2CCCCc2c2c3c1ccc1c3c(cc2)ccc1,FP
-[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,TN
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-[O-][N+](=O)c1ccc2c(c1)n[nH]c2,TP
-O=C(C(=C)C)OCCCCCOC(=O)C(=C)C,TN
-Cc1cc2ccccc2c(c1)C,FP
-CCCCCCCCCCCC[C@H]1CO1,TN
-Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,TN
-OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,TP
-Cc1ccc(cc1N=Nc1cc(N)ccc1C)N,NA
+COc1cc(OC)c2c(c1)c(OC)c1c(n2)occ1,TP
+c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,TP
+ClCC1(C(Cl)Cl)C2C(C(C1(C(Cl)Cl)C(C2Cl)Cl)Cl)Cl,TN
+Cc1cc2c(cc1C)nc1c(c2C)ccc2c1cccc2,TP
+OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,FP
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+OCC(C1OC(=O)C(=C1O)O)O,TN
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+O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1,FP
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OC(=O)c1ccc(c(c1)Cl)Cl,TN
-Cc1ncc2c(n1)CCC2,NA
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-CN(C#N)N=O,NA
-N#Cc1c(Cl)c(C#N)c(c(c1Cl)Cl)Cl,NA
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-[O-][N@@+]1(C)CCC[C@@H]1c1cccnc1,NA
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-[O-][N+](=O)c1cccc2c1csn2,TP
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-[O-][N+](=O)C1=Cc2c3c1cccc3ccc2,TP
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-[O-][N+](=O)c1ccc2c(c1)cccn2,TP
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-O=C(Nc1ccc(c(c1)Cl)Cl)CCC(=O)O,TN
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-CCC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,TP
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-O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,TP
-[O-][N+](=O)c1ccc(cc1)[C@]1(C)OC1,TP
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-[O-][N+](=O)[C@@H](CO)C,TN
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-C[C@H]1CC[C@@H]([C@H](C1)O)C(C)C,TN
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-COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,FN
-CCCCCCOC[C@H]1CO1,TP
-ClCCN(C(=O)NCCS(=O)(=O)N(C)C)N=O,TP
-OCC1OC(C(C1O)O)(CO)OC1OC(CO)C(C(C1O)O)O,TN
-CCCCCCCCC/C=C/C[C@H]1CC(=O)OC1=O,TN
-CC1C=Cc2c1c1c(cc2)ccc2c1cccc2,FP
-OCC1OC(C(C1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],TP
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CC(OC(=O)COc1ccc(cc1Cl)Cl)C,TN
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-O/N=C/C=N/O,NA
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-O=C1N(C)CCCN1C,NA
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-[O-][N+](=Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-])c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,FN
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-O=C1c2c3ccccc3ccc2-c2c3c1cccc3ccc2,TN
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-[O-][N+](=O)c1cccc2c1ccc1c2cccc1,TP
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Cn1c(N)nc2c1cc1ccncc1n2,FN
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-[N-]=[N+]=NC[C@@H](CO)O,TP
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-O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,FP
-FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F,NA
-CCCCN(CC[C@H](O)C)N=O,TP
-Cc1ccc2c(c1)cc1c(c2)cccc1,TP
-OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(/C=C/C(C2CC2)O)C)C)/C1,TN
-CC(=O)c1cccc(c1)[N+](=O)[O-],TP
-C=C[Si](Cl)(Cl)C,NA
-O=C1C[C@]2([C@@H]([C@@H]1C)C2)C(C)C,NA
-OCc1c2ccccc2c(c2c1cccc2)C,TP
-c1cc2ccc3c4c2c(c1)ccc4cc1c3[C@@H]2O[C@@H]2CC1,TP
-Cc1cccc2c1cc1ccccc1c2,FP
-BrCc1ccccc1[N+](=O)[O-],TN
-OCC(C(c1ccccc1)N=N#N)O,NA
-CCOCC,TN
-O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],FP
-[O-][n+]1cnc2c(c1N)ncn2Cc1ccccc1,TP
-ClC(=O)c1ccccc1C,TP
-OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TN
-CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,TP
-CCCON(C(=O)c1ccccc1)OC(=O)C,TP
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+OC(=O)C(c1ccc(cc1)Oc1nccs1)C,TN
+ClCCN(C(=O)NC1CCCCC1)N=O,TP
+OC(=O)c1ccccc1Cl,TN
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+NC(=N)C(/N=N/C(C(=N)N)(C)C)(C)C.Cl.Cl,NA
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+CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,TN
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OC1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,TN
-CC(=O)c1ccccc1,TN
-CC1=CCCc2c1cc(C)c1c2ccc2c1cccc2,TP
-CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCC(CC(C(N)C)O)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,TN
-CCCOc1cc(c(cc1N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C)OC)c1cc(OCCC)c(cc1OC)N/N=C(/C(=O)Nc1ccc(cc1)[N+](=O)[O-])\C(=O)C,NA
-COc1ccc(cc1)CCC1OC1,TP
-[O-][N+](=O)c1ccc2c(c1)s[nH]c2=O,FN
-OC(=O)[C@@H](Cc1ccc(c(c1)O)O)N,FN
-Oc1nsc2c1cccc2,NA
-O=c1ccc2c(o1)c1ccoc1cc2,FP
-COc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O,FP
-ON(c1ccc(cc1)Cl)C(=O)C,FP
-OC(C1CO1)CO,FN
-Oc1ccc(cc1)O,TN
-CCN=NO,TP
-CNC(=O)CC(C(=O)NC(c1ccc(cc1)O)C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)N,NA
-O1C2C1C1N=NC2C2C1O2,NA
-CC(=O)ON(c1ccc(cc1)c1ccccc1)C(=O)C,TP
-Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,TN
-CC(=O)Nc1ccccc1,FP
-CCCCN(CCCC)CCO,TN
-Cc1ccc2c(c1)c(N)sn2,NA
-Cn1c(N)nc2c1c1cccnc1cc2,TP
-Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O,FN
-O=c1oc2cccc(c2cc1[C@@H]1CCc2c(C1)cccc2)O,NA
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-CC(Sc1cc(ccc1N)Cc1ccc(c(c1)SC(C)C)N)C,TP
-BrC(Br)Br,NA
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-CN(C(=O)NC)N=O,TP
-Clc1ccc(cc1)C(=O)NC(C(=O)O)Cc1cc(O)nc2c1cccc2,NA
-C#CCNC(=NCCSCc1nc[nH]c1C)NC#N,NA
-CC(COC[C@@H]1OC1)(COC[C@@H]1OC1)C,TP
-N=C(Nc1ccccc1)Nc1ccccc1,NA
-CCOC(=O)CC(O)C,NA
-CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,TP
-C=CC1(C)CC(O)C2(C(C1)CCC1C32CCCC1(C(=O)O3)C)C,NA
-Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,TP
-O=C1C=CC(=O)c2c1c(O)ccc2O,TP
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-COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)OC,TP
-[O-][N+](=O)c1ccc2c(c1)sc1c2cccc1,TP
-O1C[C@@H]1[C@@H]1OC1,NA
-c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,TP
-CCC(=O)N(C1CCCC1N(C)C)c1ccc(c(c1)Cl)Cl,TN
-Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,TN
-COc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,TP
-CCCCCCCC/C=C/CCCCCCCC(=O)O,TN
-CN(C(=S)SNCCNSC(=S)N(C)C)C,NA
-CCOC(=O)C1C(C1(C)C)C=C(C)C,TN
-Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,TP
-O/N=C/C1N(CCC[n+]2ccc(cc2)C(=O)N)C=CN1C,NA
-Nc1ccc2c(c1)s[nH]c2=O,FP
-CNC(=O)c1cccc(c1)NCC(=O)NCCc1ccc(c(c1)OC)OC,NA
-OCC#N,NA
-Nc1ccc(cc1)Oc1ccc(c(c1)N)N,TP
-OC(=O)[C@@H]1CSCN1,NA
-Cc1cnc2c(n1)cccc2,FP
-O=CN1c2cc(OC)c(cc2C23C1C(O)(C(=O)OC)C(OC(=O)C)C1(C3N(CC2)CC=C1)CC)C1(CC2CN(CCc3c1[nH]c1c3cccc1)CC(C2)(O)CC)C(=O)OC,TN
-OCc1c2ccc(cc2nc2c1ccc1c2cccc1)C,FP
-COc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,TP
-Cc1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)C,TP
-C=CCCC1CO1,TP
-COc1cc2C(=O)CCc2c2c1c1ccccc1cc2,TP
-OCC1CCCO1,TN
-OCC1OC(Oc2ccc(cc2)N=Nc2ccc(cc2)N(C)C)C(C(C1O)O)O,NA
-CCN([N+](=NO)[O-])CC,NA
-Cc1ccc2c3c1ccc1c3c(c2=O)ccc1,TP
-CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
-CCOP(=O)(Oc1ccccc1C(=O)OC(C)C)NC(C)C,NA
-CC(=O)OC1C(=O)OC2C1OC(=O)C2OC(=O)C,TN
-OCC12OOC2(C)c2c(O1)cccc2,FP
-O=C1NC(=O)C(=C1Cl)Cl,NA
-C=CCc1ccc(cc1)O,TN
-CCOC(=O)C=C,TN
-ClC[C@@H](CBr)Br,NA
-CCN(C(=O)Cc1ccccc1)CC,NA
-NC(=O)c1ccccc1C(=O)N,TN
-OCCO,TN
-O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],TP
-[O-][N+](=O)c1cc(n(c1C(=O)C)[N+](=O)[O-])[N+](=O)[O-],NA
-Fc1ccc2c(c1F)nccc2,TP
-Clc1ccc2c(c1)c(N)sn2,TP
-Oc1cccc2c1c1ccccc1c1c2cc2ccccc2c1,TP
-O=c1nc[nH]c(=O)[nH]1,TN
-N#C/C(=C\C=C\c1ccccc1[N+](=O)[O-])/c1ccc(cc1)Br,TP
-Cc1cccc(c1)C(=O)O,TN
-C/C=C/c1cc(OC)c(cc1OC)OC,FN
-NN1C(=O)c2c(C1=O)cccc2,NA
-Nc1cc2nc3ccccc3nc2cc1N,TP
-CC(CCNc1snc2c1cccc2)C,TN
-Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,TP
-OC(=O)c1ccc(c(c1)N)C,TP
-COc1ccc2c(-c3c(OC)c(OC)cc4c3c(C2=O)ncc4)c1,FP
-CCCCN(C[C@@H](CCO)O)N=O,TP
-Cc1c(N)cccc1N=[N+](c1cccc(c1C)N)[O-],FN
-O=CC1=C2CC(C[C@]2(O)[C@@H]([C@]2([C@]1(C=O)C2)C)OC(=O)C)(C)C,TP
-c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,TP
-COc1ccc(c(c1)C)N,TP
-[O-][N+](=O)C1c2ccccc2C(=O)c2c1cccc2,NA
-OC1C2OC2c2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,TP
-Cc1ncc[nH]1,NA
-Clc1cnc(c(c1)Cl)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl,NA
-CCCCCN(N=O)CCCCC,TP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],TP
-CC(CC(=O)OC1CC2(COC(=O)C)C(C=C1C)OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,FN
-CCCCCCCCCCCCCl,TN
-ClCCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,TP
-[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccccn1,FP
-[O-][N+](=O)c1ccc2c(c1)CCN2,TP
-O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],TP
-O=C1c2ccccc2N=C1c1[nH]c2c(c1O)cccc2,TP
-ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],TP
-O=C1CCCC=C1,NA
-Cc1cccc2c1nc1c(c2)ccc2c1cccc2,FP
-O=C1NCCN1/N=C/c1ccc(o1)[N+](=O)[O-],TP
-ClCCN(C(=O)NC1CCC(CC1)C)N=O,TP
-ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2C1(C)CCC1C2CCC2=CC(=O)NCCC12C)CCCl,NA
-COc1c(c(C)cc2c1c(O)ccc2O)c1cc(O)c2c(c1O)cc(cc2OC)C,FP
-Nc1ccn(c(=O)n1)C1C=C(C(C1O)O)CO,TN
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-O=NN(C(C(=O)O)Cc1ccccc1)CC1(O)CCC(C(C1O)O)O,TN
-O=CNc1scc(n1)c1ccc(s1)[N+](=O)[O-],TP
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-O=Nc1[nH]cnc1c1ccccc1,TP
-OCC1OC(O)C(C(C1O)O)NC(=O)N(N=O)C,NA
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-C/C(=C/COC(=O)C)/CCC=C(C)C,TN
-[O-][N+](=O)c1cc(C)c2c(c1C)c1cc(ccc1[nH]2)C(=O)C,TP
-Cl/C=C(\SCc1ccccc1)/Cl,NA
-COC(=O)C(Cl)Cl,NA
-COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-],TP
-CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,NA
-COc1ccc2c(c1)sc(n2)N,TP
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,TP
+O=CN(c1ccc(cc1)[N+](=O)[O-])O,TP
+CCCC[C@H](COC(=O)/C=C/c1ccc(cc1)OC)CC,TN
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+C[C@H]1CS1,NA
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+N#C/C=C/C#N,TN
+Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
+OC(=O)/C=C/c1ccc(cc1)/C=C/C(=O)O,TN
+Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,FP
+CCCN(C(=O)N)N=O,TP
+OC(=O)C(CC(=O)O)(CC(=O)O)O,TN
+O=P1(OCc2c(O1)cccc2)Oc1ccccc1,FN
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+c1ccc2c(c1)cc1c(c2)c2ncccc2cc1,TP
+[O-][n+]1ncc2c(c1)ccnc2,TN
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+ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,TN
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+Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,TN
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+Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,TP
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+Clc1cccc(c1)Br,TN
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+CC1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,TN
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3,TP
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+ClCCN[P@]1(=O)OCCCN1CCCl,TP
OCCN(C(=O)N)N=O,TP
-O=c1cc(C)c2c(o1)cc1c(c2)C2(C(O1)(C)OO2)C,TP
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1cc2[N+](=O)[O-],TP
-COc1cc2CCN(C3c2c(-c2cc4OCOc4cc2C3)c1O)C,FP
-CCCCCCCC(=O)Nc1snc2c1cccc2,TN
-COc1ccc(c2c1oc1c3c(OC4C3CCO4)cc(c1c2=O)OC)O,TN
-[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,TP
-OOC(C)(C)C,NA
-ClC(=C1OC(=O)C(=C1)Cl)Cl,TP
-O=C1CCCN1c1ncc(s1)[N+](=O)[O-],NA
-ONc1nc2c(n1C)cc(cn2)c1ccccc1,TP
-CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,TN
+O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2cc2cccc3c2c1C=C3,TP
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+COc1c2OCOc2cc2c1nc1occc1c2OC,TP
+OC(=O)Cc1c[nH]c2c1cc(O)cc2,TN
+C1CCCCCC2C(CCCC1)O2,TN
+Nc1ccccc1Cl,FP
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[O-][N+](=O)c1ccccc1Cl,TP
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-[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,TP
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-CCOP(=O)(O/C(=C\Br)/c1ccc(cc1Cl)Cl)OCC,TN
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[O-][N+](=Nc1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C,FP
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-[O-][N+](=O)c1cccc(c1C)N=[N+](c1cccc(c1C)[N+](=O)[O-])[O-],FP
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-ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,TP
-c1ccc2c(c1)cc1c(c2)ccc2c1cccc2,TP
-[O-][N+](=O)c1cc2ccccc2c2c1cccc2[N+](=O)[O-],TP
-OCCNc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO,FP
-Cc1ccc(cc1)C(O)(C)C,NA
-OCC1OC(C(C1O)O)n1cnc2c1nc(N)nc2NO,FN
-[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,TN
-OC(=O)C(Cc1ccc(c(c1)O)O)(N)C,TN
-ClCc1ccccn1,FN
-c1cc2cc3ccc4c(c3c3c2c(c1)C1OC31)cccc4,TP
-CC(=O)/C=C\c1ccccc1,FN
-CCc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],TP
-Clc1cccc(n1)C(Cl)(Cl)Cl,NA
-NC(=N)NC#N,NA
-OCCN(C)C,TN
-CCCCCOc1ccc(cc1)N=O,FN
-ClCCNc1ccc(cc1)C,TP
-Cc1ccccc1O,TN
-BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,FP
-COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,TP
-N#CC(Cl)(Cl)Cl,NA
-O=C1C=CC(=O)c2c1c(O)ccc2,TP
+CCCCCCCCCCCCCCCC(=O)O,TN
+OC(=O)CS.[Na+],TN
+C/C(=N/O)/C(=O)C,TN
+Fc1cccc2c1ccc1-c3c4c(-c21)cccc4ccc3,TP
+Nc1ccc2-c3c(Cc2c1)cccc3,TP
+CCN(c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1ccccc1)CC,TP
+Cc1c(N)ccc(c1C)N,FP
+Cc1cc2cc3cccc(c3c(c2c(c1)O)O)O,FN
+CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,TP
+FCCn1cc(C(=O)O)c(=O)c2c1c(F)c(N1CCN(CC1)C)c(c2)F,TP
+Cc1nnc(c(=O)n1N)c1ccccc1,FP
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,TN
+OC(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C,TN
+Oc1cc2ccc3-c4c(-c5c3c2c2c1cccc2c5)cccc4,FP
+ClCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCCl,TP
+OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1O)O)O,TP
+Cc1nsc(c1)N,NA
+Clc1ccc(c(c1)Nc1ccccc1C(=O)O)C(=O)O,TN
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)C,TN
+Nc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
+O=CN(c1ccc(cc1)/C=C/c1ccccc1)O,TP
+CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O,TP
+CCSCCOP(=S)(OCC)OCC,FN
+Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,FN
+NC(=O)/N=N/C(=O)N,FN
O=c1oc2ccc(cc2c2c1cccc2)[N+](=O)[O-],TP
-Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],FN
-C[C@@H]1O[C@@H]1C,NA
-ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,TP
-C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,FN
-Oc1ncc(c(n1)O)F,NA
-CCCCSCCC(C(=O)O)N,TN
-O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,TP
-[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1O)cc(cc2)S(=O)(=O)O,NA
-O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1ccccn1,NA
-CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,TP
-COC(=O)C1(OC1(CC)C(O)C)C(=O)N,FP
-Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)N,FP
-Oc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],TP
-OS(=O)(=O)c1cc2cc(c(c(c2c(c1N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)O)N)N=Nc1ccc(cc1)N=Nc1ccc(cc1N)N)S(=O)(=O)O,TP
-OC1C(O)c2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],TP
-Oc1ccc2c(c1)c1c(cc2)ccc2c1nc([nH]2)C,TP
-c1ccc(cc1)c1nc2c(o1)cccc2,TN
-CC(ON(C(=O)c1ccccc1)OC(=O)C)C,TP
-CC(c1cc(ccc1N)c1ccccc1)C,TP
-ClCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,TP
-COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,TP
-[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,TP
-CCS,NA
-FC(Br)(Cl)F,NA
-N#N=NCc1ccccc1,NA
-Cn1c2ccccc2c2c1cccc2,TP
-CC/C=C\C#N,NA
-O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,TP
-COc1cc2c(cc1OC)OC[C@H]1[C@H]2C(=O)c2c(O1)c1C[C@H](Oc1cc2)C(=C)C,NA
-OCc1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
-COC(=O)CCCC(=O)OC,TN
-NC(=N)c1ccccc1,NA
-CN(c1ccc2c(c1)ccc([n+]2C)/C=C/c1cc(n(c1C)c1ccccc1)C)C,NA
-BrN1C(=O)CCC1=O,NA
-S=c1c2cc3OCCOCCOCCOCCOCCOCCOc4cc1c(n(c2cc3)C)cc4,NA
-CNC(=O)NO,NA
-Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,TP
-NCCS(=O)(=O)O,NA
-Nc1ccccc1S(=O)(=O)O,FN
-[O-][n+]1ncc2c(c1)nccc2,TN
-Cc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,TP
-Cc1ccc2c(c1)ccc1c2cc2ccccc2c1,TP
-CN(N)C,NA
-c1ccc2-c3c(Cc2c1)ccc1c3c2ccccc2cc1,FP
-c1ccc2c(c1)cncc2,FP
-O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,NA
-CCCCCCCCC1OC1CCCCCCCC(=O)OCC(CCCC)CC,TN
-Nc1cccc(c1)S(=O)(=O)O,TN
-[O-][N+](=O)c1ccc2c(c1)CC=C2,NA
-OC(=O)CCN=N#N,NA
-Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N=Nc1c(O)ccc3c1cccc3)cccc2,TN
-OC1C2OC2c2c(C1O)c1ccc3c(c1cc2)cccc3,TP
-OC(COc1ccc(cc1C1CCCC1)O)CNC(C)(C)C,TN
-CCCCC(CCCC)(CCC)S,TN
-FC(c1ccccc1)(F)F,TN
-O=C(c1ccccc1N)OC1CCCCC1,TN
-N#N=Nc1nc2c(n1C)c1ccccc1cc2,TP
-NC1CC(C)(C)N(C(C1)(C)C)O,NA
-ON1C(=O)CCC1=O,NA
-CCOC(=O)CC(=O)C,TN
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
-C=C[C@H](c1ccc(c2c1cccc2)OC)OC(=O)C,TP
-c1ccc2c(c1)ccc1c2c2C=CCc2cc1,TP
-[O-][N+](=O)c1cc(ccc1O)c1cccc(c1O)[N+](=O)[O-],FP
-Nc1ccc(cc1)c1ccccc1,TP
-CCc1c2C3OC3c3c(-c2cc2c1cccc2)cccc3,TP
-OC(c1ccccc1)CN=N#N,NA
-CC(Br)C,NA
-N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-OCCn1c(C)ncc1[N+](=O)[O-],TP
-O=NSCC(C(=O)N(C(=O)CCC(C(=O)O)N)CC(=O)O)N,NA
-NC(=O)N(c1ccccc1)c1ccccc1,TN
-ONc1cccc2c1cccc2,TP
-OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,TP
-C=CC(=O)OC[C@H]1CO1,FN
-O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
-CCCCCCc1ccc(cc1)c1ccc(cc1)C#N,TN
-SCCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,TN
-CC1=CC(C)(C)Nc2c1cccc2,TN
-CCCCCCCCCCCCCC(=O)O,TN
-C[C@@H]1OCCc2c1cc1c(c2)C([C@@H](C1(C)C)C)(C)C,NA
-O=NN(C(=O)c1ccccc1)C,NA
-COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
-CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccc(cc1)O)c(c2)F,TP
-NC(=O)N(c1ccccc1)c1ccc(cc1)C(=O)O,FN
-OCCN(c1ccc(c(c1)Cl)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-])CCO,TP
-COc1ccc2c(-c3nccc4c3c(C2=O)c(OC)c(c4)OC)c1,TP
-Cc1cccc2c1ccc1c2ccc2c1cccc2,TP
-Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,TP
-Oc1cccc2c1cccn2,FN
-Oc1cc2cccc3c2c2c1cc1ccccc1c2cc3,TP
-CN(CCNC(=O)c1cccc2c1oc(c2)c1ccccc1)C,TP
-O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],TP
-OCc1ccc2-c1cc(ccc2C)C(=C)C,TP
-C[C@@H]1CC[C@H](CC1)C(C)C,TN
-O=C1C(=O)c2ccccc2-c2c1cccc2,FP
-CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,TP
-ONc1ccc(cc1C(C)(C)C)c1ccccc1,TP
-O/N=C/c1ccccn1,NA
-ClCCCCN(COC(=O)C)N=O,TP
-COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)C[C@@H](c1c(=O)o2)O)C=CO3,TP
-CNC(=O)Oc1cccc2c1cccc2,TP
+OC(=O)[C@@H]1NCc2c(C1)c1ccccc1[nH]2,TN
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,TP
CNC(=O)Oc1cccc2c1cccc2,FP
-Nc1cc(C)c(c(c1)[N+](=O)[O-])N,TP
-ClCc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,FP
-CC(=O)Nc1nc(NC(=O)C)nc(n1)c1ccc(o1)[N+](=O)[O-],NA
-BrC(C(Br)Br)Br,NA
-Nc1cccc2c1ccc1c2cccc1,TP
-CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,TP
-Cc1ccccc1,TN
-COc1nncc2c1cccn2,FP
-OCc1ccc(cc1)NNC(=O)CC[C@@H](C(=O)O)N,FN
-[O-][N+](=O)c1c2C=CCCc2c2c3c1ccc1c3c(cc2)ccc1,TP
-COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C\C(=O)OC)/C)\C)/C)/C,NA
-O=Nc1n(C)cnc1c1ccccc1,TP
-c1ccc2c(c1)c1ccc3c(c1cc2)cccn3,TP
-C1C2SCC=CN2C1=O,NA
-CSCCC=O,NA
-OCC(CNC(=O)c1c(I)c(N(C(=O)C)CC(CN(c2c(I)c(C(=O)NCC(CO)O)c(c(c2I)C(=O)NCC(CO)O)I)C(=O)C)O)c(c(c1I)C(=O)NCC(CO)O)I)O,TN
-[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,TP
-[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,TP
-COc1cccc2c1C(=O)c1c(C2=O)cccc1,TP
-CN(c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccccc1)C,FP
-CCCCCCNCCCCCC,TN
-O=C1[C@@]2(C)CC[C@@H](C1(C)C)C2,NA
-ClC(=C)C=O,NA
-[O-][N+](=O)c1c2ccccc2cc2c1cccc2,TP
-CC(CCCCCOC(=O)Cc1cc(Cl)c(cc1Cl)Cl)C,TN
-N#CC1=C(SCCS1)C#N,NA
-BrC(C=O)CBr,NA
-[O-][N+](=O)c1ccc(c(c1)O)N,TP
-Cc1ccc(o1)C=O,FP
-O=CN(N=O)C,NA
-OCC(C(CO)O)O,TN
-c1ccc(cc1)NN=Nc1ccccc1,TP
-Clc1ccc(cn1)Cl,NA
-OC(=O)C1=CC(N(C1(C)C)O)(C)C,NA
-CC(CN(CC(C)C)N)C,NA
-Cc1cc(C)c2c(n1)cc(c(c2)C)N,NA
-N#Cc1ccc(cc1)C[C@]12C[C@@H](CN2C(=O)N(C1=O)c1cc(Cl)cc(c1)Cl)N=[N+]=[N-],NA
-Cc1ccc(c(c1)[N+](=O)[O-])C,TP
-O=C1C=CC(=O)C=C1c1ccccc1,NA
-O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,TP
-CC(=O)Nc1scc(n1)c1scc(c1)[N+](=O)[O-],TP
-CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,NA
-CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC,NA
-OC(=O)c1ccco1,NA
-[O-][N+](=O)OOC(=O)C,NA
-Cc1ccccc1N=Nc1c(O)ccc2c1cccc2,TP
-OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,TN
-CCOC(=O)CC(C)C,TN
-COc1nsc2c1cc(N)cc2,TP
-O=NN(C(=N)N[N+](=O)[O-])C,TP
-O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccc(cc1)[N+](=O)[O-],TN
-O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)cc1c(c2)c2ccccc2cc1,TP
-OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,TN
-Fc1cccc2c1cc1-c3cccc4c3c(-c1c2)ccc4,TP
-Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,TP
-Br[C@H](CBr)COC(=O)C=C,FN
-CC(=O)Nc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,TP
-Oc1ccccc1Cl,TN
-Nc1cc2ccccc2c2c1cccc2,TP
-[O-][N+](=O)c1cccc2c1c1cccc(c1c(c2)[N+](=O)[O-])[N+](=O)[O-],TP
-OCCN(N=O)CCO,TP
+CN(CCCNc1c2ccccc2nc2c1cc(cc2)[N+](=O)[O-])C,TP
+Nc1ccc(c(c1)S(=O)(=O)O)c1ccc(cc1S(=O)(=O)O)N,TN
+Clc1c(ccc(c1N)[N+](=O)[O-])Oc1ccccc1,FP
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,TN
+CC(=O)/C=C/c1ccccc1,FN
+[O-][N+](=O)c1cc2c(c3c1cccc3)ccc1c2cccc1,TP
+CC(C(CCl)Br)Br,TP
+CCCCCCCCCC(=O)O,TN
+CNc1ccc(cc1)[N+](=O)[O-],TP
+COc1cc(ccc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,FP
+NCCNCCO,TP
+c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,TP
+[O-][N+](=O)c1cccc(c1Cl)Cl,FP
+N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,TP
+BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,TP
+Nc1ccc(cc1)N=Nc1ccccc1,TP
+COC(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],TP
+COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,TP
+C[C@H]1CC(C)(C)c2c(C1(C)C)cc(c(c2)C(=O)C)C,TN
+CCCCCCC1OC1,TN
O=C(c1csc(c1)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-],TP
-C=CC(=O)OCCN(C)C,TN
-ClCCNCCCl,NA
-O=C(Nc1cc(Cl)c(c(c1)Cl)Cl)CCC(=O)O,TN
-COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,TN
-Fc1ccc(c2c1ccc1c2cccn1)F,TP
-COc1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,TP
-Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,TN
-C1OCCO1,NA
-CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,FN
-COC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)N(C(=O)C)OC(=O)C,FP
-BrCC(CBr)Br,TP
-[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,TP
-CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,TN
-CC(=O)Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
-CC(=O)Nc1ccnc2c1cccc2,TN
-CNP(=S)(N1CC1)N1CC1,NA
-BrCc1c2ccc3c4c2c2c5c1cccc5ccc2cc4ccc3,TP
-ClCCN(c1ccc(cc1)CCCC(=O)O)CCCl,TP
-Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,TP
-CSCC(C(=O)NC(C(C(=O)N1CSCC1C(=O)NC(C)(C)C)O)Cc1ccccc1)NC(=O)COc1cccc2c1ccnc2,NA
-CCCCN(CCCO)N=O,TP
-[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,TP
-CC(Br)Br,NA
-BrCCOC(=O)C=C,FN
-Cl/C(=C(\C(F)(F)F)/Cl)/SSc1ccccc1[N+](=O)[O-],TP
-OCCCCO,TN
-Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,TP
-COP(=S)(OC)Cl,NA
-O=C(c1ccc(cc1)Cl)NCOC(=O)C,TN
-[O-][N+](=O)c1c(nc2n1CCS2)c1ccc(cc1)[N+](=O)[O-],TP
-COc1cccc(c1O)C=O,TN
-[O-][N+](=O)c1ccc2c(c1)c1ccccc1s2,TP
-OCCc1c[nH]c2c1cccc2CC,TN
-CC12OOC2(C)c2c(O1)cccc2,TP
-COC(=O)c1ccccc1N,TN
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)ccc1,TP
-O=Cc1ccc(cc1)[N+](=O)[O-],TP
-Cc1ccc(cc1)S(=O)(=O)NC1CCCCC1,TN
-ICI,NA
-CN1CCN(CC1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,TP
-N#N=NCC(C(=O)O)NC(=O)OC(C)(C)C,NA
-ClC([C@@H](c1ccccc1Cl)c1ccc(cc1)Cl)Cl,TN
-BrC(C1=C(Br)C(=O)OC1O)Br,TP
-CC(=O)Nc1cccc(c1C(=O)O)N,TP
-OCCNC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2,NA
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-[O-][N+](=O)c1cc(cc2c1cccc2)[N+](=O)[O-],TP
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-[O-][n+]1ncc2c(c1)ccnc2,TN
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N#N=Nc1nc2c(n1C)cc(cn2)c1ccccc1,TP
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O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(Cl)c(cc1Cl)Cl,TN
-OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,TP
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+ClCCOC(=O)C=C,FN
+Clc1c(O)cc(c(c1Cl)Cl)Cl,TN
+CCOc1cc(C=O)ccc1O,TN
+C/C=C\C=O,TP
+CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,TN
+COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,TP
+COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,TP
+O=Cc1ccccc1[N+](=O)[O-],TP
+O=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,FP
+Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1cc2,TP
+[O-][N+](=O)c1ccc(cc1)S(=O)(=O)O,TN
+O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,TP
+O=C1C=Cc2c(C1=O)cccc2,FN
+c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,TP
+Cc1cc(ccc1N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1ccc2c(c1O)c(N)c(cc2S(=O)(=O)O)S(=O)(=O)O,TP
+NNc1nncc2c1ccnc2,TP
+Cc1c(C)cccc1O,TN
+CCCCC,TN
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2.Cl,TP
+CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,TP
+OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,TN
CCCCCC(=O)OCC,TN
-OCC(C)C,NA
-OC(=O)C(CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])N,TP
-CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)Cl,TP
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCC,TP
-O=Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,FP
-c1ccc2c(c1)c1ccc3c4c1c(c2)c1ccccc1c4ccc3,TP
-COS(=O)(=O)C(F)(F)F,NA
-NNC(=O)c1ccncc1,NA
-CCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,FP
-COc1c2c(OC3C2C=CO3)cc2c1c(=O)c1c(o2)ccc(c1OC)Cl,FN
-c1ccc2c(n1)c1ccc3c(c1cc2)cccn3,TP
-CC(=O)Nc1ccc(c2c1c(O)c(N=Nc1ccc(c3c1cc(cc3)S(=O)(=O)O)N=Nc1ccc(cc1)S(=O)(=O)O)c(c2)S(=O)(=O)O)S(=O)(=O)O,TN
-C[C@H](C(=O)NCC(=O)O)S,NA
-COc1c2c(ccc(c2cc(c1c1cc(OC(=O)C)c2c(c1OC(=O)C)cc(cc2OC)C)C)OC(=O)C)OC(=O)C,TN
-OC(=O)Cc1ccccc1[N+](=O)[O-],FN
-OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C,NA
-CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,TP
-COS(=O)(=O)C,NA
+O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],TP
+[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,TP
+CCCC(=O)C,TN
+[O-][N+](=O)c1ccccc1S(=O)(=O)O,TN
+OC[C@@H]1O[C@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)O)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,FP
+NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,TN
+O=C1C=Cc2c(C1=O)cc1c3c2ccc2c3c(cc1)ccc2,TP
+Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],TN
+O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C)Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C,TP
+CC/C=C/C=C/C=C/C=C/OCC(CO)O,TP
+[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],TP
+Cc1c(C)c(Br)c(c(c1Br)Br)Br,TN
+ClC(=O)c1ccc(cc1)C,TP
+Cc1cccc(c1)N,FP
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1cccc(c1)[N+](=O)[O-])c(n2Cc1ccccc1)C,FN
+Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,FN
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],TP
+BrCC(CCOP(=O)(OCCC(CBr)Br)OCCC(CBr)Br)Br,FP
+Clc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,TN
+CCOC(/C=C(\CCC=C(C)C)/C)OCC,TN
+COc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,FN
+Nc1cccc(c1)C(F)(F)F,TN
+ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,TN
+OC(=O)COc1ccc(cc1)Cl,TN
+[O-][N+](=O)[C@@H](CC)C,TN
Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,TP
-[O-][N+](=O)c1c2ccc3c(c2cc2c1cccc2)cccc3,FP
-OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,NA
-FC(C(F)(F)F)Cl,NA
-CCCCCCCCCCCCOS(=O)(=O)O,TN
-C[C@@H]1CCC(=C(C)C)C(=O)C1,NA
-CC(=O)c1cccc2c1OC1(C2(C)OO1)C,TP
-BrCc1c2ccccc2cc2c1c1ccccc1cc2,TP
-ClCC=O,NA
-CCC(Nc1snc2c1cccc2)C,TN
-OCc1cc2ncc(nc2c2c1n(C)c(n2)N)C,TP
-NC(=O)Nc1ccc(cc1)C,TN
-CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)c2c(C3=O)cccc2O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C,TP
-ClCCC(=O)N(c1snc2c1cccc2)C,FN
-CNC(=O)[C@H](SCCSP(=O)(OC)OC)C,NA
-NC(=O)Nc1cccc2c1nccc2,NA
-c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,TP
-OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,TP
-CC1CCCO1,NA
-O=C(C(Cl)(Cl)Cl)Nc1snc2c1cc(C)cc2,TP
-NC(=O)N,NA
-Oc1ccc(cc1)[N+](=O)[O-],FP
-C[C@H]1CC(=O)O1,NA
-CSCCC(C(=O)O)N,TN
-O=c1c2cccc3c2c2c(c1=O)c(ccc2cc3)[N+](=O)[O-],TP
-ONc1nc2c(n1C)ccc1c2nc(C)cn1,FN
-ClC(C(=CC(=O)O)C(Cl)Cl)Cl,NA
-O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,TN
-CC1(C)C2CCC3(C1C2)CO3,TN
-Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,TN
-Ic1ccc2c(c1)c(N)c1c(n2)cccc1,TP
-O=NN(C(=O)N)CC(=O)O,NA
-O[C@H]1O[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(=O)O1)C,NA
-CCCCCC[N+](=O)[O-],TN
-CN(C(=O)OCC)N=O,TP
-O=C(N(OC(=O)c1ccccc1)OCc1ccccc1)c1ccccc1,TP
-COC(=O)c1ccc(cc1)N=Nc1ccc(cc1)N(OC(=O)C)C,FN
-CC(=O)OCC12OOC2(C)c2c(O1)cccc2,TP
-CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,TN
-[O-][N+](=O)c1nccn1C,NA
-Fc1ccc(c(c1)[N+](=O)[O-])F,TP
-CCCN=NC(OO)(C)C,TP
-Fc1ccc2c(c1)nccc2,TP
-BrC=C,NA
-O=NN([C@@H](c1ccccc1)OC(=O)C)C,NA
-O=C/C=C\c1ccco1,TN
-N[C@H](C(=O)O)CCC(=O)NNc1ccccc1,FN
-Cc1cc(ccc1N)N=Nc1ccccc1C,TP
-CCOC(=O)[C@@H](c1ccccc1)SP(=S)(OC)OC,NA
-C[n+]1c2ccccc2cc2c1cccc2,TP
-Cc1cc(N)cc(c1)N,FP
-N#CC(C(C#N)(C)C)(C)C,NA
-Cc1ccc(c(c1)C)[N+](=O)[O-],TP
-CN(c1ccc(cc1)N=Nc1ccc(cc1)S(=O)(=O)O)C,FP
-CC(c1ccc(c(c1)O)C)C,TN
-Oc1cccc2c1C(=O)c1ccccc1C2=O,TP
-NCCNc1cccc2c1cccc2,NA
-SC[C@H]([C@@H]1CC[C@H]([C@@H](C1)S)C)C,NA
-CN(C[C@@H](Cl)C)C,NA
-COc1cccc(c1)[N+](=O)[O-],FP
-OCc1c(OC2OC(COC3OCC(C(C3O)O)O)C(C(C2O)O)O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
-OC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C,TN
-CCOC(=O)C[C@@H](C(=O)OCC)S[P@](=O)(SC)OC,NA
-C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,TP
-COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,TN
-ClCC(=O)Nc1c(CC)cccc1CC,FN
-NN(C(=O)C)C(=O)C,NA
-Nc1ccc2c(n1)n1ccccc1n2,TP
-OCCc1ccc(cc1)Nc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1[N+](=O)[O-])O,TP
-OCCN(c1ccc2c(c1)cccc2)CCO,TP
-O=C(c1ccccc1)c1ccccc1,FP
-OCC(=O)C1(O)CCC2C1(C)CC(=O)C1C2CCC2=CC(=O)C=CC12C,FN
-O=CN(c1ccc(cc1)Oc1ccc(cc1)Cl)O,TP
-CC(=O)OO,NA
-COCCOCCOC,FP
-Nc1ccc2c(n1)[nH]c1c2cccc1,TP
-OC(=O)CCCC[C@H]1SSCC1,NA
-Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,FP
-SCCc1cnccn1,TN
-Nc1nc(nc(n1)N)c1ccc(o1)[N+](=O)[O-],NA
-CNCC(=O)O,NA
-N/N=c/1\sc2c(n1C)cccc2,FN
-Oc1cccc2c1ccc1c2ccc2c1cccc2,TP
-OC(=O)CCC(C1CCC2C1(C)CCC1C2C(=O)CC2C1(C)CCC(=O)C2)C,TN
-OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,TN
-O=C/C=C/c1ccccc1Cl,FN
-CC(CCCC(C1CCC2C1(C)CCC1C2CC(C2(C1(C)CCC(C2)O)O)O)C)C,TP
-NC1CCCC(C1)N,TN
-c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,TP
-CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,TP
-CC(=C)[C@@H]1CC=C([C@H](C1)O)C,TN
-C=CCOC(=O)CC(C)C,NA
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,FP
-BrCc1ccc(cc1)[N+](=O)[O-],FN
-[O-][N+](=O)c1cc2c(C(C(=O)OCC)C#N)snc2cc1,TP
-Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
-OC(=O)CCc1c[nH]c2c1cccc2,TN
-OCc1ccnc2c1cccc2,FP
-O=CN(C(=O)N(C)C)C,NA
-ONc1ncnc2c1ncn2C,TP
-O=C1OC(=O)c2c1cccc2,TN
-N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-OCc1ccc2c3c1-c1ccccc1-c3ccc2,FP
-NC(=O)OCC1C(NC(=O)/C(=N\OCC(=O)O)/c2csc(n2)N)C(=O)N1S(=O)(=O)O,NA
-[O-][N+](=O)c1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],TP
-NC(C(=O)O)CSC(=O)NCCCl,NA
-[O-][N+](=O)c1ccc2c(c1)cc1c(c2)cccc1,TP
-CCCCOCCOCCSC#N,TN
-c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
-CCCCN,TN
-[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],TP
-O(Cc1ccccc1)CC1OC1,TP
-Nc1scc(n1)c1cccnc1,FP
-O=C(Cc1ccccc1)OCc1ccccc1,FP
-O=NN(C(=O)Oc1ccc(c(c1C)C)C)C,TP
-O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,TN
-[O-][N+](=O)c1ccc2c3c1cccc3C=C2,TP
-ClCc1cccnc1,FN
-N[C@@H]1C[C@H]1c1ccccc1,NA
-Cc1cccc2c1ccc1c2cc2c(c1)cccc2,TP
-ClCc1ccccc1,FN
-FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,TP
-O=CN(c1ccc(cc1)[N+](=O)[O-])O,TP
-COC(=O)C(Cl)C,NA
-CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C,TN
-C[C@H](CCc1ccccc1)NC[C@H](c1ccc(c(c1)C(=O)N)O)O,NA
-CCN(CCCC(=O)O)N=O,TP
-CC(=O)OCc1cccc(c1)[N+](=O)[O-],TN
-OCCc1ccc(cc1)[N+](=O)[O-],TP
-NCC=C,NA
-CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,TP
-COc1cc2-c3c4OCOc4cc4c3C(Cc2cc1OC)N(C)CC4,TP
-C[N+]1=CC=C(CC1)c1ccccc1,TP
-Oc1cccc2c1nccc2,FN
-O=NN(C(=O)C)C,NA
-c1cc2ccc3c4c2c(c1)ccc4c1c2c3cccc2C=C1,TP
-Clc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,TN
-CCN(C(=O)c1cccc(c1)C)CC,NA
-Clc1cc2S/C(=C/3\Sc4c(C3=O)c(C)cc(c4)Cl)/C(=O)c2c(c1)C,NA
-OC1C2OC2c2c(C1O)ccc1c2c(C)ccc1C,TP
-Cc1ccc2c(c1)cc1c(c2)c2ccccc2cc1,TP
-[O-][N+](=O)c1ccc(c(c1)Cl)Cl,TP
-Nc1ccc(cc1)N(c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2,FP
-OC1c2cc3ccc4c5c3c(c2C(C(C1O)S(=O)(=O)O)O)ccc5ccc4,FP
-ClCCN(c1ccc2c(c1)cc(o2)[N+](=O)[O-])CCCl,TP
-CCCCON(C(=O)c1ccccc1)OC(=O)C,TP
-c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,TP
-OC1C(O)C(OC1n1cnc2c1ncnc2O)COP(=O)(O)O,TN
-CC(OP(=O)(F)C)C,NA
-[O-][N+](=O)CCl,NA
-Cn1c(N)nc2c1cc1ccccc1n2,TP
-CCCCCCc1ccc(cc1O)O,TN
-CC(C(=O)O)N,NA
-Cc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
-ClCc1ccc(cc1)Br,TN
-BrCCBr,NA
-ClC(=O)c1ccccc1,TP
-CCCCOC(=O)c1ccc(cc1)N,TN
-OC1C=Cc2c(C1O)c([N+](=O)[O-])c1c(c2)c2ccccc2cc1,TP
-Clc1cc([N+](=O)[O-])c(cc1Cl)Cl,TP
-ClC(C#N)Cl,NA
-CC(=O)OC(C(=O)c1ccccc1)c1ccccc1,FP
-OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,TN
-Oc1cc(O)c2c(c1)[o+]c(c(c2)O)c1cc(O)c(c(c1)O)O,FP
-ONc1nc2[nH]c3c(c2cc1C)cccc3,NA
-O=C(c1cccc(c1)C(=O)OC[C@@H]1OC1)OC[C@@H]1OC1,FN
-ClCCCC(=O)N(c1snc2c1cccc2)C,TN
-OS(=O)(=O)Oc1cccc2c1cc1ccc3c4c1c2ccc4ccc3,TN
-CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C,TN
-Clc1c(Cl)ccc(c1Cl)Cl,TN
-Fc1ccc(cc1)n1cc(C(=O)O)c(=O)c2c1cc(N1CCNCC1)c(c2)F,FP
-CCSCSP(=S)(OCC)OCC,TN
-COC(CC(=O)C)(C)C,TN
-N#C/C(=C\C(C(C(c1ccc(c(c1)Cl)Cl)C#N)c1ccccc1)C)/c1ccc(c(c1)Cl)Cl,FN
-c1ccc(cc1)c1ccccc1c1ccccc1,FP
-OC(=O)c1cccc(c1Cl)Cl,TN
-N#CCc1ccc(cc1)Cl,TN
-C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1)C,TN
-NN(Cc1ccccc1)Cc1ccccc1,NA
-O=C(C(C)C)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C(C)C,TP
-O=C1Nc2c(C1=O)cc(cc2)[N+](=O)[O-],NA
-Oc1nc2c(o1)cccc2,NA
-O=C(C(=C)C)OCCOCCOC(=O)C(=C)C,TN
-OC(=O)C(CSC(=C(Cl)Cl)Cl)N,TP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)c(cc1)[N+](=O)[O-],TP
-NC(=S)Nc1cccc2c1cccc2,TP
-OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@@H]3N4C[C@H](CC3)C)C)C2)C)[C@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O,TN
-CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,TP
-CCCCCCCCC=C,TN
-Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
-OC(=O)c1ccc(cc1)Cl,TN
-COc1ccc(cc1)CN(N=O)C,FP
-CCc1nccc(c1)C(=S)N,NA
-[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],TP
-C=CC1(C)CCC2(C(C1)C(=O)CC1C32CCCC1(C(=O)O3)C)C,NA
-Cl[C@H](C#N)Br,NA
-ClC(C(=C(C(=O)O)Cl)C(Cl)Cl)Cl,TP
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-[O-][N+](=O)c1ccc2c3c1ccc1c3c([C@H]3[C@@H]2O3)ccc1,TP
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O=C(N[C@H](C(=O)NCC(=O)O)CS/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl)CC[C@@H](C(=O)O)N,TP
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OC1C2=C(C)C3(C(C(=O)C2=CC1(C)C)(C)O)CC3,TP
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C=CC(=O)OCCCCOC(=O)C=C,TN
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-[O-][N+](=O)c1ccc(c(c1Cl)Cl)Cl,TP
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-COC1OC(=O)C(=C1C(Cl)Cl)Cl,TP
-ClC1CCN(CC1)N=O,TP
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,TP
-ONc1[nH]cnc2-c1ncn2,TP
-CCOC(=O)c1ccccc1C(=O)OCC,TN
-CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,TP
-c1ccc2c(c1)cc1c3c2cnc2c3c(cc1)ccc2,TP
-Nc1nc(N)nc(n1)Cl,TN
-Nc1cccc2c1cccc2,TP
-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],TP
-ClC(=O)OCc1ccccc1,NA
-COC1=C(OC)C(=O)C(=CC1=O)C,NA
-Brc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
-C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,TN
-[O-][N+](=O)c1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
-[O-][N+](=O)C1CCCC1,FN
-CC(c1ccc2c(c1)ccc1c2cccc1C)C,FP
-CNC(=O)ON(C(=O)NC)C(=O)C,FN
-O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,TN
-ClCCN(c1cnc(nc1O)O)CCCl,NA
-CCCCCCCCCCCCCO,TN
-NNc1nncc2c1cncc2,TP
-CC(COC(=O)Cc1ccccc1)C,NA
-CCCCCCCCCCCl,TN
-[O-][N+](=O)c1ccc2c(c1)[nH]c1c2cccc1,TP
-CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,TN
-O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,TN
-CC(=O)Cl,NA
-Clc1ncccc1Cl,NA
-OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO,TP
-Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,TP
-COc1ccc2c(c1)nc1c(c2OC)cco1,TP
-COP(=O)(SC)SC,NA
-COCCOCCO,TN
-Nc1cc2ccccc2cc1N,TP
-Oc1ccc2-c3ccc(c4c3C(C3c2c1C(=O)C1OC31)(O)CCC4=O)O,NA
-CCOP(=O)(N(C)C)C#N,NA
-ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,TP
-O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,TN
-OC[C@H]1CO1,TP
-[O-][N+](=O)c1ccccc1C(=O)N,TP
-OC(CN=N#N)CN=N#N,TP
-COCCN(c1cc(NC(=O)C)c(cc1OC)n1nc2c(n1)c(Br)cc(c2Cl)N)CCOC,TP
-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1c(c2)[N+](=O)[O-])[N+](=O)[O-],TP
+OC[C@H]1O[C@@H](Oc2ccc(c3c2C(=O)c2ccccc2C3=O)O)[C@@H]([C@H]([C@@H]1O)O)O,TP
+c1ccc2c(c1)ccc1c2c2CCCc2cc1,FN
+c1cc2ccc3c4c2c(c1)cc1c4c(C=C1)cc3,TP
+CN(CCOC(=O)C(=C)C)C,FN
+c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,TP
+O=C1C=CC(=O)C(=C1)C(C)(C)C,FN
+COC(=O)[C@]12Oc3ccc(c(c3C(=O)C2=C(C[C@H]([C@H]1O)C)O)O)c1ccc2c(c1O)C(=O)C1=C(O)C[C@H]([C@H]([C@]1(O2)C(=O)OC)O)C,NA
+Cc1cnc2c(n1)c1nc(n(c1c(c2C)C)C)N,TP
+Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,TP
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NC,TP
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1C=COC1O2)CCC(O)(C)C,TP
+[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,TP
+Fc1cc2cccnc2c(c1)F,TP
+Oc1ccc2c3c1-c1ccccc1-c3ccc2[N+](=O)[O-],TP
+CCCCC1CO1,TN
+N#N=Nc1nc2c(n1C)ccc1c2cccc1,TP
+COC(=O)c1cc(OC)c2c(c1c1c(cc(c3c1OCO3)OC)C(=O)OC)OCO2,FP
+OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,TP
+BrCC1=C(Br)C(=O)OC1O,TP
+BrCC(=O)c1ccccc1,FP
ClCc1ccc(cc1)C(F)(F)F,TN
-Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,NA
-OC1C=Cc2c(C1O)ccc1c2cccc1,TP
-Clc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
-COc1cccc(c1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-N#C/C(=C/C(C(C(c1ccc(cc1)Br)C#N)c1ccccc1)C)/c1ccc(cc1)Br,TN
-[O-][N+](=O)c1nc2c(n1C)cccc2,TP
-BrC[C@H]1CO1,NA
-ClCCCC(=O)N(c1snc2c1cccc2)CC,FP
-CSCNc1ccccc1,TP
-[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3cccc1,TP
-ClCCOC(=O)Cl,NA
-O=C(C(C)C)Nc1snc2c1cccc2,TN
-CC(=O)OCc1ccccc1[N+](=O)[O-],TN
-CN(N=Nc1ccccc1)C,TP
-CC(=O)Nc1nnc(s1)c1ccc(o1)[N+](=O)[O-],NA
-O=C(C1OC1c1ccc(cc1)c1ccccc1)c1ccccc1,TN
-Oc1ccc(c(c1)O)N=Nc1ccc(cc1)[N+](=O)[O-],TN
-CCCCCCCCCCCCCC(=O)[N-][N+](CC(O)C)(C)C,NA
-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1O,TP
-OC(=O)C(Cc1ccc(cc1)O)N,TN
-BrCCSCC(C(=O)OC)NC(=O)C,TP
-BrCC(=O)c1ccc(cc1)c1ccccc1,TP
-O=C(Nc1ccc(cc1)O)CC(=O)C,TN
-O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,FP
-OCC[C@]1(O)NC(=O)[C@]2([C@@H]1O2)C(=O)/C(=C/C=C/C(=C/C(=C/C(=C\C)/C(=O)OC)/C)/C)/C,TP
-CC(=O)N1CNC(=O)N(C1=O)C(=O)C,NA
-CC1CCCC(N1CCCC(c1ccccn1)(c1ccccc1)O)C,TN
-OCCN(c1ccc(cc1)N=Nc1ccc(cc1C#N)[N+](=O)[O-])CCO,TP
-O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1,TN
-CCCCCCCCCCCCCC=C,TN
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)C(C)(C)C,TP
+c1ccc2c(c1)c1c3ccccc3c3c4c1c(c2)ccc4ccc3,TP
+CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,FP
[O-][N+](=O)c1cccc2c1c(C)ccc2,TP
-NC(=S)NNC(=S)N,NA
-ONc1ccc(cc1)N=Nc1ccccc1,TP
-O=C(OC[C@H]1CO1)CCCCCC(C)(C)C,NA
-Nc1nc(O)c2c(n1)nn[nH]2,NA
-CCCCOc1ccc(cn1)N=Nc1ccc(cc1)N(CC)CC,NA
-CCCC(=O)Nc1snc2c1ccc(c2)Cl,TN
-[O-][N+](=O)c1cccc(c1)S(=O)(=O)OC[C@H]1CO1,NA
-O=C(Nc1ccc(cc1)[N+](=O)[O-])CCC(C(=O)O)N,FP
-Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,TP
-CCCCCC,TN
-[O-][N+](=O)c1cccc2c1nc1c(n2)cccc1[N+](=O)[O-],TP
-ClCc1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
-OCC(Cl)Cl,NA
-CCc1c2C3NC3c3c(-c2cc2c1cccc2)cccc3,TP
-CN(c1ccc2c(c1)[s+]c1c(n2)cc(c(c1)N)C)C,TP
-CC(=O)Nc1nc2c(n1C)ccc1c2cccn1,TP
-CC1=CC(=O)CC(C1)(C)C,NA
-OC(=O)CC[C@@H](C(=O)O)N,TN
-ClCCN(P1(=O)OCCCN1CCCl)CCCl,TP
-O=Cc1ccc2-c1cocc2COC(=O)C,NA
-ClCC(C(Br)(C)C)Br,NA
-Cc1ccccc1c1nc2c(o1)cccc2,TN
-COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,TN
-O=NN(Cc1ccccc1)C,TP
-[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,TP
-Fc1cc(cc(c1N)F)c1cc(F)c(c(c1)F)N,TP
-Cc1cc(C)cc(c1)N=Nc1c(O)ccc2c1cccc2,FP
-O=C(Nc1c(C)cccc1C)CN1CCCC1=O,NA
-C=C[C@@](CCC=C(C)C)(O)C,NA
-CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,TP
-COc1c2cc(OC)ccc2nc2c1cco2,TP
-CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,NA
-c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cccc4,TP
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,TN
+OC1C2OC2c2c(C1O)ccc1c2nc2ccc3c(c2c1)cccc3,TP
+CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC[N+](C)(C)C,TP
+OC1C=Cc2c(C1O)ccc1c2cc2ccc3c(c2c1)cccc3,TP
+Oc1ccccc1/C=N/c1snc2c1cccc2,FP
+[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],TN
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,TN
+CNc1nc(OCC(F)(F)F)nc(n1)N,TN
+[O-][N+](=O)c1c(N)ccc2c1c1ccccc1[nH]2,TP
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F,TN
+O=C(c1ccccc1)Nc1cccc2c1C(=O)c1ccc3c(c1C2=O)[nH]c1c3cc(c2c1C(=O)c1ccccc1C2=O)NC(=O)c1ccccc1,FP
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,TP
+CN(CCCNc1c2ccccc2nc2c1cccc2)C,TP
+CCc1nc2c(nc1CC)ccc(c2C)NC,TP
+CCCC/C=C/C=O,FN
+OCc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
+c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,TP
+CCCCCCCCCCCCCCCC[C@H]1CO1,TN
+OC(=O)C(CC(=O)c1cccc(c1N)O)N,TN
+Nc1ccc2c(c1)oc1-c(n2)c2ccccc2c(=N)c1,TP
+Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,TP
+CCN(c1ccc2c(c1)oc1-c(c2c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)ccc(=[N+](CC)CC)c1)CC,TP
+CO/N=C(/c1csc(n1)N)\C(=O)NC1C(=O)N2C1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C/c1scnc1C,TN
+Brc1cccc2c1cc1ccc3c(c1c2)cccc3,TP
+[O-][N+](=O)c1ccc2c(c1)c(/C=N/OCc1ccccc1)c(n2Cc1cccc(c1)[N+](=O)[O-])C,FN
+CC(=O)Nc1snc2c1cccc2,FN
+OC(=O)C1NC(C)c2c(C1)c1ccccc1[nH]2,TN
+Cc1ccc(c(c1)N)N,FN
+CCCC[C@@H]1C(=O)N(N(C1=O)c1ccc(cc1)O)c1ccccc1,FN
+ClCCN([P@]1(=O)NCCCO1)CCCl,TP
+CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,TN
+OC(=O)c1cccc(c1)[N+](=O)[O-],TP
+O=C(c1cccc(c1)[N+](=O)[O-])/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1cccc(c1)[N+](=O)[O-],TP
+C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,TP
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TP
+[O-][N+](=O)c1ccc2c(c1)ncn2C,FP
+Fc1ccc2-c3c(-c4c2c1ccc4)ccc1c3cccc1,TP
+O[C@H]1CCCCCc2cc(O)cc(c2C(=O)O[C@H](CCC1)C)O,TN
+Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,TP
+O=c1cn[nH]c(=O)[nH]1.OCCNCCO,TP
+COc1ccc(c(c1)C)N,TP
+CCCC[C@H](COC(=O)CCCCC(=O)O)CC,TN
+[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,TN
+c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,TP
+OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,TN
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,TP
+OCC1OC(CC1O)n1cc(C=O)c(=O)[nH]c1=O,TN
+Clc1nnc(c2c1cccc2)Cl,FP
+O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
+Nc1nc(N)c2c(n1)nc[nH]2,FP
CC(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-c1ccc2c(n1)c1CCC3C(c1cc2)O3,FP
-[C-]#N,NA
-COc1c([N+](=O)[O-])c(C)c(cc1C(C)(C)C)[N+](=O)[O-],NA
-Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,TP
-[O-][N+](=O)c1c(Cl)c(Cl)c2c(c1Cl)Oc1c(O2)c(Cl)c(cc1)Cl,TP
-Brc1ccc(c(c1)Br)Oc1cc(Br)c(cc1Br)Br,NA
-CCc1ccccc1[N+](=O)[O-],TN
-ClC(c1ccccc1)C(=O)Cl,TP
-OC(=O)Cc1ccc(cc1)N,NA
-CCCSC(=O)Cl,NA
-[O-][N+](=O)NC(=N)NC,NA
-[O-][N+](=O)NC(=N)NC,NA
-Oc1ccc2c(c1N=Nc1ccccc1)ccc(c2)S(=O)(=O)O,TN
-COC(C1=C(N2CC2)C(=O)C(=C(C1=O)N1CC1)C)COC(=O)N,TP
+BrCCCCBr,TP
COCC12OOC2(C)c2c(O1)cccc2,TP
-Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-O1COCOC1,NA
-OCCOc1cc(O)c2c(c1)oc(c(c2=O)OC1OC(COC2OC(C)C(C(C2O)O)O)C(C(C1O)O)O)c1ccc(c(c1)OCCO)OCCO,TN
-Cc1ccc2c(c1)c(C)c1c(c2C)cccc1,TP
-[O-][N+](=O)c1cc2c(N)snc2cc1,TP
-C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,NA
-Cl[C@@H](C(F)(F)F)Br,NA
-NCCNCCNCCN,TP
-CN(c1ccc(cc1)N=Nc1ccccc1)C,TP
-CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2,NA
-C=CCCCC[C@@H]1OC1,TP
-NCCCN,TN
-C1CC=C2C(C1)CCc1c2cccc1,NA
-Cc1cc(C)c(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-ClCc1ccccc1CCl,FP
-Cn1cnc(c1c1ccccc1)[N+](=O)[O-],FP
-Cc1cc2-c3ccccc3Cc2cc1C,FP
-O=Nc1ccc2-c3c(Cc2c1)cccc3,FN
-Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,TP
-Nc1ccc(cc1)Oc1ccc(cc1)N,TP
-OC1CCC2(C(C1)CC(C1C2CC(O)C2(C1CCC2C(CCC(=O)O)C)C)O)C,FN
-Cc1ccc(cc1)[C@H]1OC1,TP
-N=C1CCC(=N)c2c1c(O)c1c(c2O)cccc1,NA
-c1cc[n+]2c(-c3cccc[n+]3CC2)c1,NA
-OC(=O)c1cccnc1,NA
-Cl/C=C(/CSC(=O)N(C(C)C)C(C)C)\Cl,TP
-OC1C(O)c2cccc3c2c2c1cc1ccccc1c2cc3,TP
-NC(C(=O)O)CS/C=C/Cl,FN
-Oc1cc2cc3ccccc3c3c2c2c1cccc2cc3,TP
-O=c1[nH][nH]c(=O)c2c1cccc2,TN
-[O-][N+](=O)c1ccc2c(c1)ccc1c2cccc1,TP
-CC1=C[C@@H]2[C@H](N(C1)C)Cc1c3c2cccc3[nH]c1,TP
-Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,TP
-C=CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC=C,TP
-c1ccc2c(c1)Sc1c(N2)cccc1,NA
-c1ccc2-c3c4c(-c2c1)ccc1c4c(cc3)C=C1,TP
-CCN(c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N(CC)CC)CC,FN
-c1ccc2c(c1)ccc1c2cc2c(n1)ccc1c2cccc1,TP
-Brc1ccc(cc1)[N+](=O)[O-],TP
-ClCCCl,NA
-ClCCNCCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl,TP
-CCN(CCn1nc2c3c1Sc1cc(Cl)ccc1-c3c(cc2)C)CC,TP
-COc1cc2c(cc1OC)nc1c(c2O)cccc1,TP
-O=C/C(=C(/C(=O)O)\Cl)/C,TP
-OCCN1CCNCC1,TN
-Cc1cc2ccccc2c2c1cc1ccccc1c2,TP
-O=CC1C=COC=C1,NA
-CN(C=O)N,NA
-NC(=O)c1ccc(cc1)[N+](=O)[O-],TP
-CCCC(=O)O,TN
-OC/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,FN
-Oc1ccc2c(c1N=Nc1ccc(c3c1cccc3)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
-Nc1ccc2c(c1)c1ccccc1n2C,TP
-NC(=O)N=NC(=O)N,FN
-CC([N+](=O)[O-])(Cl)Cl,NA
-O=C1OCC1(C)C,NA
-OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(O)nc(n2)N,TN
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])N,TP
-NCCNCCNCCNCCN,TP
-Oc1ncc2c3c1ccc1c3c(cc2)ccc1,FP
-COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+OC/C=C/C1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21,TN
+CC[C@H]([C@@H](CO)C)C,TN
+OC1C=Cc2c(C1O)cc1c(c2)c(C)cc2c1cccc2O,TP
+Clc1cccc(c1)c1nc2c(o1)cccc2,TN
+Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],TP
CN(CCNC(=O)c1cccn2c1nc(c2)c1ccccc1)C,TP
-ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,TP
-O=C1NS(=O)(=O)c2c1cccc2,TN
-C[C@H]1CCOS(=O)(=O)O1,NA
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-CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,TN
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-OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@H]([C@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCC(N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)N(c2ccc(c(c2)OCc2ccccc2)OCc2ccccc2)C)C)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O,TP
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Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,TP
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-OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,FP
-CC1CCCC2(C1(O)CCCC2)C,TN
-Clc1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1)Cl,NA
-Cc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
-Cn1c(N)nc2c1ccc1c2nc(c(n1)c1ccccc1)c1ccccc1,FP
-COC(C(Cl)Cl)(F)F,NA
-[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,TP
-O=CC(=O)O,NA
-Nc1ccc(cc1)Oc1ccc(cc1Cl)Cl,TP
-CC(=O)CCOOCCC(=O)C,NA
-c1ccc(cc1)C(c1ccccc1)c1ccccc1,TN
-OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2N,FN
-O=NN(Cc1ccc(cc1)C(=O)O)C,FP
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-O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,TP
-Clc1cccc2c1cccc2,TP
-CNNCc1ccc(cc1)C(=O)NC(C)C,TN
-CCN1CCNC(=O)C1=O,NA
-[O-][N+](=O)c1cccc2c1cccc2,TP
-OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],TP
-[O-][N+](=O)c1cccc2c1c1ccccc1o2,TP
-Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,TN
-[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],FP
-Oc1ccc(c2c1cccc2)O,TP
-COP(=O)(OC=C(Cl)Cl)OC,NA
-CC(CC(c1ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)(C)C)(C)C,NA
-c1cc2ccc3c4c2c(c1)cc1c4c2c(c3)cccc2cc1,TP
-c1ccc2c(n1)C1OC1C1C2O1,TN
-CCCOC(=O)c1ccc(cc1)O,TN
-O=C1C=CC(=NC(=O)C)C=C1,TN
-FCC(F)(F)F,NA
-O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,FN
-Nc1cc(Cl)cc(c1)Cl,TN
-O1CCOCCOc2c(OCCOCC1)cccc2,NA
-COc1cc([N+](=O)[O-])c(c(c1)C(C)(C)C)O,TN
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,FP
-COc1cc(O)c2c(c1)C1=CC(O)C(CC1(OC2=O)C)O,NA
-O=C1C=CC2=[N+](C(/C(=N/c3ccccc3)/C2=C1)(c1ccccc1)c1ccccc1)[O-],NA
-OC1OC(=O)C=C1CCl,NA
-CC(c1ccccc1)CCN=N#N,TP
-CCOc1ccc(cc1)N(C(=O)C)O,FN
-OC(=O)C(c1ccc(cc1)Oc1nccs1)C,TN
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-CCOC(=O)c1ccc(cc1)N(C=O)O,NA
-CCN=C=S,NA
-c1ccc2c(n1)c1[nH]ccc1cc2,FP
-OO[C@@H]1CCCc2c1cccc2,FN
-BrCC(=C)Br,NA
-O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,TN
-[O-][N+](=O)c1ccccc1C(=O)O,TP
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-CC(CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C)C,TN
-Cc1c(C)c([N+](=O)[O-])c(c(c1C)[N+](=O)[O-])C(C)(C)C,TN
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-C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,TP
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-COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)[C@@H](O)C[C@](C2)(O)C(=O)C,TP
-C[Si](N=N#N)(C)C,NA
-CC#CC(c1ccccc1)(c1ccccc1)OC(=O)NC1CCCCC1,TP
-c1ccc(cc1)P(c1ccccc1)c1ccccc1,NA
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-N#Cc1ccc2c(c1)nc([nH]2)N,NA
-CC12OOC1Oc1c2cccc1,NA
-Oc1ccc(c(c1Cl)Cl)Cl,TN
-Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,TP
-Clc1ccc(cc1)Cn1c(/C=N/OCc2cccc(c2)[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],FP
-CCCCN(/C(=N/O)/C=O)N=O,TP
-CNc1ccc(cc1)[N+](=O)[O-],TP
-C(C[C@@H]1OC1)CC[C@@H]1OC1,FN
-O=CCC(C)C,NA
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-CC(=O)Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
-CC(O)C,TN
-CCl,NA
-O=C1NCC(=O)N1,NA
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C\C(=O)O,TN
+OC(=O)c1c(N)cccc1N,TP
+ClCc1ccccc1CCl,FP
+Fc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
+Nc1cccc2-c3c4c(-c12)cccc4ccc3,TP
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+Nc1nc(N)nc(n1)Cl,TN
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+O=C1CCc2c1ccc1c2c(C)cc2c1cccc2,TP
+CCC(=O)Nc1snc2c1cccc2,TN
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Oc1c(O)ccc2c1C(=O)c1c(C2=O)c(O)ccc1O,TP
-COC[C@H]1CO1,NA
-COc1ccc(cc1)CN(c1ccccn1)CC[N+](C)(C)[O-],TN
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-Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,TP
-OC(=O)CCl,NA
-ClCC(CCl)Br,NA
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-O=NN(C(=O)c1n(C)cnc1N(N=O)C)C,FN
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-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1C,TP
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-[O-][N+](=O)c1ccccc1O,TN
-Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,TP
-Nc1ccc(cc1)/C=C/c1ccccc1,TP
+O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,TN
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+C(C[C@@H]1OC1)CC[C@@H]1OC1,FN
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+OC(=O)C([C@@](C([C@](C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,TN
+OC(=O)COc1ccccc1,TN
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+ClCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2.OC(=O)CCC(=O)O,TN
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+C/C=C/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C,NA
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+OCc1c2ccccc2cc2c1cccc2,TP
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+O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],TP
+c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,TP
+CNc1c(C)cc2c(c1N)cccn2,FP
+OC(=O)[C@H](c1ccc(cc1)Oc1nccs1)C,TN
+Nc1ccc(c(c1)S(=O)(=O)O)N,TN
+COc1cc(OC)[nH]c(=O)n1,TN
+[O-][N+](=O)c1cccc(c1O)c1ccccc1,FP
+OC(=O)CCC(=O)O.CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,TN
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+[O-][N+](=O)c1cccc2c1ccc1c2c(ccc1)[N+](=O)[O-],TP
+Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,TP
+c1ccc2c(c1)cccc2,FP
+CC(=O)N(c1ccc(cc1)/C=C/c1ccccc1)O,TP
+C=Cc1cccc(c1)C.C=Cc1ccc(cc1)C,TN
+Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,FP
+C[C@H](C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,TN
+CCC(=O)Nc1snc2c1cc(C)cc2,FP
+[O-][N+](=O)c1ccc2-c3cc4CCCCc4cc3CCc2c1,TP
+CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,TP
+OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,TN
+CS(=O)(=O)OCCCCOS(=O)(=O)C,TP
+O1C[C@H]1c1ccc(cc1)c1ccccc1,TP
+O=Cc1c2ccccc2cc2c1cccc2,FP
+OC(=O)C1CC(N(C1(C)C)O)(C)C,TN
+[O-][N+](=O)c1cccc2c1nc1ccccc1n2,TP
+CCCCCOc1cccc(c1)NC(=O)OC1CCCCC1N1CCCC1,TN
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1)/sn2C(=O)c1ccccc1,TP
+CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,FP
+c1ccc2c(c1)ccc1c2nccc1,TP
+CC(C(C)(C)C)OP(=O)(F)C,TN
+CCC1=C(c2ccc(cc2)O)C(c2c1ccc(c2)O)C,TN
+CC/C=C/C=O,FN
+CCOC(=O)CNC(=O)C(Br)(C)C,TN
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+CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,TP
+CC(C(=O)NCc1ccccc1)Br,TP
+Cc1c(NC)ccc2c1nccn2,TP
+Oc1ccc(cc1)C(c1ccccc1)(C)C,TN
+OCc1ccccc1N=Nc1ccc(cc1)N(C)C,TP
+O=NN(CC1(O)CCC(C(C1O)O)O)CC(=O)O,TN
+Clc1cccc(c1)C(F)(F)F,TN
+CNCc1ccc(o1)CSCCN/C(=N/S(=O)(=O)C)/NC[C@@H](c1ccc(cc1)O)O,TN
+[O-][N+](=O)c1cccc2-c3c4c(-c12)ccc1c4c2c(c3)cccc2cc1,TP
+Cc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,TN
+O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,TN
+CC(c1cc(ccc1OP1OCC2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,TN
+CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,TP
+CNC(=O)ON.Cl,TP
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1.Cl,TP
+O=C1C(=O)c2ccccc2-c2c1cccc2,TN
+CC[C@]1(OCCc2c1n(C)c1c2cccc1)CC(=O)O,TN
+CCOC(=O)[C@@H](N[C@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)C)CCc1ccccc1,TN
+OC1OC(=O)C=C1CCl,TP
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,TN
+CCNc1nc(O)nc(n1)NC(C)(C)C,TN
+OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O,FN
+OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,FN
+CC(=O)Nc1nc2c(n1C)c(C)cc1c2cccn1,TP
+CC(=O)Nc1cccc(c1)C,FP
+N#CCCCCC#N,TN
+CCOc1ccc(cc1)N=O,TP
+Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,TP
+CC(OC(=O)N[C@@H](C(=O)N[C@@H](c1nc2c(s1)cc(cc2)F)C)C(C)C)C,FN
+ClNc1ccc2-c3c(Cc2c1)cccc3,TP
+CCOP(=S)(OCC(C)C)SCCl,TN
+Cc1ccc(c(c1)[N+](=O)[O-])N,TP
+OCCOCCOCC,TN
+O=C1CCCCCCCCCCCCCCO1,TN
+NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)O)CC(C)C)Cc1ccccc1,TN
O=C1CCc2c1c1ccc3c(c1c(c2)C)cccc3,TP
-OC1CCCc2c1cc1ccc3c4c1c2ccc4c(cc3)[N+](=O)[O-],TP
-CCCCCCC1OC1,TN
-c1ccc2c(c1)c1cc3ccc4c(c3nc1cc2)cccc4,TP
-NNC(=O)N,NA
-CC1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C1CCCC1,TP
-Nn1nnc2-c(c1O)nc1c2cccc1,NA
-N#N=NCC(C(C(C(CO)O)O)O)O,TP
-NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-],TP
-c1ccc(cc1)Oc1ccc(cc1)/C=N/N1N=Nc2c(C1)[nH]c1c2cccc1,NA
-N#Cc1cccc(c1)/C=C/c1ccc(cc1)N,TP
-COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,TP
-Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,TP
-O=c1ccc2c(o1)cccc2,FN
-Clc1nncc2c1cccn2,FP
-CCN(C(=O)N(C)C)N=O,TP
-O=NN1CCCCCCCCCCCC1,TP
-Nc1cc([N+](=O)[O-])c(c(c1C)C)N,TP
-O=NN(Cc1ccc(cc1)C)C,FP
-O=Nc1cc(ccc1C)[N+](=O)[O-],TP
-Cc1cccc(c1N)C,TP
-Cc1cccc(c1N)C,FP
-[O-][N+](=O)c1ccc(c(c1)C)N,TP
-Clc1ccc(cc1)C(=O)c1ccc(cc1)OC(C(=O)O)(C)C,TN
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N,TP
-NNc1ccccc1,TP
-O=C1c2ccccc2CCc2c1cccc2,FP
-CC(N)(C)C,NA
-O=C1C=CC(=O)O1,NA
-c1cc2ccc3c4c2c(c1)ccc4cc1c3cco1,TP
-Cc1cccc2c1nccc2,TP
-CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,TN
-O1CC1Oc1ccccc1,FN
-Oc1ccc(c(c1)C(C)(C)C)O,TN
-COc1cc2-c3c(O)c(OC)cc4c3C(Cc2cc1O)[N+](C)(C)CC4,NA
-CC/C=C/C=C/C=C/C=C/OCC(CO)O,TP
-O=Nc1cccc(c1)c1ccccc1,TP
-ClCCC(=O)N(c1snc2c1cccc2)CC,FN
-OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,TP
-CC(c1c(C)n(n(c1=O)c1ccccc1)C)C,FP
-S(Cc1ccccc1)SCc1ccccc1,NA
-Nc1cc2nc3cc(N)c(cc3cc2cc1C)C,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,TP
-OCCNC(=O)N(CCCl)N=O,TP
-[CH2-][N+](=O)[O-],NA
-Nc1cc(N)c(cc1N=Nc1ccccc1)C,TP
-Cc1cc(O)c(cc1C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(cc1C)O)C,NA
-CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,TN
-CN(c1ccc2c(c1)nc1c(c2)ccc(c1)N(C)C)C,TP
-O=C(c1ccccc1)Nc1cccc2c1C(=O)c1c(C2=O)c(Cl)ccc1,TP
-OC(=O)C1CC=C(C=C1)OP1(Oc2ccc(cc2)C(=O)O)NP(Oc2ccc(cc2)C(=O)O)(Oc2ccc(cc2)C(=O)O)NP(N1)(Oc1ccc(cc1)C(=O)O)Oc1ccc(cc1)C(=O)O,NA
-CCCCCCCCCc1ccccc1C(OS(=O)(=O)O)CO,NA
-Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
-IC(I)I,NA
-ClCBr,NA
-O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,TN
-CCCCC(=O)Nc1snc2c1cc(Cl)cc2,TN
-C=CC(=O)OCCCCCOC(=O)C=C,TN
-CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,TN
-Cc1ccc(cc1NCC)O,FN
-Cc1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,TP
-c1ccc2c(c1)[nH]cc2,FP
-COc1ccc(cc1)OC,TN
-O=NN1CCC[C@@H]1c1cccnc1,NA
-CCCCCCCCO,TN
-[O-][N+](=O)c1cccc(c1Cl)Cl,FP
-O=C/C=C/C=O,TP
-Nc1ccccc1N,TP
-Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,TP
-[O-][N+](=O)c1c2CCC=Cc2c2c3c1ccc1c3c(cc2)ccc1,FP
-O=C1c2ccccc2CN2N1Cc1ccccc1C2=O,NA
-[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cccc1,TP
-CC1CS1,NA
-[O-][N+](=O)c1scc(c1)C(=O)N,TP
-c1ccc2c(n1)c1ncccc1cc2,FP
-c1ccc2c(c1)cc1c(c2)cc2c3c1C=Cc3ccc2,TP
-C/C=C/C,NA
-O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,TP
-c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,TP
-CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)N,FP
-OC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)C1CC1,TN
-[O-][N+](=O)c1cc2c(Cl)nsc2cc1,TP
-[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,TP
-O=C1c2ccccc2Cc2c1cccc2,TP
-Nc1ccc(c(c1)N)Cl,TP
-Fc1ccccn1,TP
-Oc1c2ccccc2cc2c1ccc(c2O)O,TP
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,FP
-COC(=O)C(=C)C#N,FN
-O=Nc1ccc(cc1)Oc1ccccc1,TP
-[O-][N+](=O)c1ccccc1,FP
-O=C=S,NA
-NC(C(=O)O)CSC(C(Br)Cl)(F)F,FN
-C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O,TN
-CC(c1ccccc1)N(C)C,TN
-[O-][N+](=O)c1cn(c(n1)Cl)C[C@@H](COC)O,NA
-[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],TP
-CC(=O)N(c1ccc(cc1)N=Nc1ccc(cc1)N(C)C)C,TP
+Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,TP
+COc1cc(c(cc1/N=N/c1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O.[Na+].[Na+],TN
+CCCCN(CC[C@H](O)C)N=O,TP
+COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,TP
+c1ccc2c(c1)cc1c3c2C=Cc3c2c(c1)cccc2,TP
+Clc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+OC(=O)/C=C/c1cccc(c1)[N+](=O)[O-],TP
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,TN
+[O-][N+](=O)c1cc(ccc1S(=O)(=O)O)[N+](=O)[O-],TN
[O-][N+](=O)C1=Cc2c3c1cc1cc4ccccc4cc1c3ccc2,TP
-CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,TN
-NNc1scc(n1)c1ccc(cc1)N,TP
-Cc1ccc(cc1)NN=NCc1ccccc1,TP
-CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(NC(=O)C(OC(C(C(CO)O)O)C(NC(=O)C)C=O)C)C,NA
-C[C@H]1CO1,TP
-OC1=C/C(=N\c2ccc(cc2)[N+](=O)[O-])/C(=O)C=C1c1nnc(s1)NC(=O)c1ccccc1,NA
-Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],TP
-O=C(C(F)(F)F)C(F)(F)F,NA
-O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,TN
-COCCc1ccc(cc1)OCC(CNC(C)C)O,TN
-OS(=O)(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-CC1(OC1)c1ccc(cc1)c1ccccc1,TP
-O=C/C(=C(/C(=O)O)\Cl)/Cl,NA
-CCCCCC(=O)O,TN
-Clc1ccc2c(c1)Oc1c(O2)cc(cc1)Cl,TN
-[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N,TP
-O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C,TN
-Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,FP
-CC(=O)Nc1ccc(cc1)Sc1ccccc1,TP
-N#CCCN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,TP
-ClC(=C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,NA
-CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1,TN
-OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,TN
-COc1ccccc1N=Nc1c(O)ccc2c1cccc2,TP
-O=CN(c1ccc2c(c1)cccc2)O,TP
-CC(=O)c1ccco1,NA
-CCCCNCC,TN
-[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,TP
-[O-][N+](=O)c1ccc2c(c1)ncn2C,FP
-COc1ccccc1c1ccccc1,FP
+CCC(=O)OCc1cccc(c1)[N+](=O)[O-],FP
+NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,TN
+Cc1cc2ncccc2c2c1n(C)c(n2)N,TP
+O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,TP
+Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,FP
+CSCCC(C(=O)NC(C(=O)O)Cc1ccccc1)NC=O,TN
+CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,TP
+[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,TP
+CC[n+]1c2ccccc2nc2c1cccc2.CCOS(=O)(=O)O,TP
+C[C@@H]1CCc2c1cc(C)c1c2ccc2c1cccc2,TP
CC(CC(=O)CC(C)C)C,TN
-Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
-CNP1(NC)NP(NC)(NC)NP(N1)(NC)NC,NA
+Cn1c2cc(cnc2nc1[N+](=O)[O-])c1ccccc1,TP
+Clc1cc(Cl)c(cc1Cl)Cl,TN
+C=CCc1ccc(c(c1)O)O,FN
+Nc1ccc(cc1)c1ccc(cc1[N+](=O)[O-])N,TP
+[O-][N+](=O)c1ccc2c(c1)n[nH]c2,TP
+COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,TN
+Nc1ccc(cc1)/N=N/c1ccccc1,TP
+O=c1ccc2c(o1)c1ccoc1cc2,TN
Nc1ccc(cc1)CCc1ccccc1,TP
-CCOC(=O)Nc1cccc2c1nc1-c2c[nH]cc1,NA
-Fc1ccc2-c3c(C(c2c1)C)cccc3,TP
-Nc1cccc2c1C(=O)c1cccc(c1C2=O)N,TP
-CCn1c2ccc(cc2c2c1cccc2)N,TP
-Cc1cccc2c1N(C)C1=Nc3c(C1C2C)cccc3,TP
-OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,TP
-CCCCN(CCC(=O)OC)N=O,TP
-Clc1ccc(c(c1)N)[N+](=O)[O-],TP
-COCC=O,NA
-Cc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
-CN(N=Nc1ccc(cc1)[N+](=O)[O-])C,TP
-ONc1cc(C)ccc1C,TP
-c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)N3)cccc4,TP
-O=NN1CN2CN(C1)CN(C2)N=O,NA
-NNc1nc2c(s1)c1c(cc2)nc2c(c1O)cccc2,TP
-OC(=O)[C@H](Br)Cl,NA
-NC(=O)C1CO1,TP
-COC(=O)C(Oc1ccc(cc1)c1ccc(cc1)Cl)(C)C,TN
-Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N,TP
-O=C1c2cc(ccc2-c2c1cc(cc2)[N+](=O)[O-])[N+](=O)[O-],TP
-OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N1C(=O)c2c3c1cc1c(OC)cccc1c3c1c(c2)OCO1,FP
-SC[C@@H](C(=O)O)NC(=O)C,FN
-CC1=Cc2nc3c(c(c2C(C1O)O)C)ccc1c3cccc1,NA
-CCCCON=O,FN
-ClC[C@@H]1O[C@H](CCl)O[C@@H](O1)CCl,NA
-Fc1ccc2c(n1)cccc2,NA
-N1CCN(CC1)c1ccccc1,NA
-COC(C)(C)C,NA
-CN(CCNS(=O)(=O)c1cccc2c1nccc2)C,NA
-Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,FP
-Oc1ccccc1c1ccccc1O,FP
-COc1cc(C=O)ccc1OC,TN
-ClCc1ccc(cc1)CCl,TN
-Oc1ccc2c(c1)c1c(C)c(N)cc(c1[nH]2)C,TP
-Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,TN
-CC(=O)OCN([N+](=O)[O-])C,NA
-CC(c1c(N)ccc2-c3c(Cc12)cccc3)C,TP
-Cc1cccc2-c3c(C(c12)C)cccc3,TP
-[O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-],NA
-CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,NA
-CCCCON(C(=O)c1ccc(cc1)OC)OC(=O)C,TP
-Br[C@@H]1CC[C@H](Br)[C@H](Br)CC[C@H]([C@H](CC[C@H]1Br)Br)Br,NA
-CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
-CN(CCCNc1c2ccccc2nc2c1c(ccc2)[N+](=O)[O-])C,TP
-c1ccc2-c3ccc4c(c3C3C(c2c1)O3)cccc4,TP
-CCN(C(=O)/C(=C(\OP(=O)(OC)OC)/C)/Cl)CC,NA
-OC(=O)C(CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl)N,TP
-COc1cc(OC)c(c(c1)n1c(cc(=O)c(c1c1ccc(cc1)F)C)c1ccccc1)Cl,NA
-Nc1c2cc(C)ccc2nc2c1cc(C)cc2,TP
-FC(C(C(F)(F)F)F)F,NA
-Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,TN
-CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C,TP
-CC/C=C/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,TP
-CC(=O)Nc1cccc(c1C)N=Nc1cccc(c1C)NC(=O)C,FP
-CNC(=O)NC,NA
-CCCC[C@H](COCCC#N)CC,TN
-OC(=O)CCCCCCCCCCCNC(=O)C1CC(N(C1(C)C)O)(C)C,NA
-O=C1CCCc2c1cc(C)c1c2ccc2c1cccc2,TP
-COc1cc(C=O)ccc1O,TN
-CCNS(=O)(=O)c1ccc(cc1)C,TN
-N#CCC[C@H](C#N)C,NA
-Cc1c2ccc3c(c2nc2c1cccc2)cccc3,TP
-O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,TN
-O=c1ccc2c(o1)cc1c(c2OCC2OC2(C)C)cco1,TN
-CNCCCN1c2ccccc2CCc2c1cccc2,NA
-Clc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
-CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,TN
-Cc1c(C)ccc(c1C)C,FP
-O=NN(C(C(=O)C)OC(=O)C)C,TP
-[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,TP
-O=c1cc(C)c2c(o1)c1CCCN3c1c(c2)CCC3,FN
-O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,FP
-CCCCCC(/C=C/C1C(O)CC(=O)C1C/C=C/CCCC(=O)O)(O)C,TN
-CC(=O)Nc1ccc(cc1)O,TN
-[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],NA
-N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,NA
-O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2C(C)S1)C(=O)O)C,FP
-OC(=O)Cc1cccc(c1)[N+](=O)[O-],TN
-Cc1cc(C)c(c(c1)C)C,TN
-CC(=O)N,NA
-ClC/C(=C(\C(=O)O)/Cl)/C=O,TP
-CC(=O)n1ncc(c(c1=O)Cl)Cl,TN
-ClCC(=O)Nc1snc2c1ccc(c2)Cl,TP
-Clc1cc(Cl)c(c(c1Cl)[N+](=O)[O-])Cl,TN
+CCN(CCC[C@H](Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC,TP
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],TP
+CCCCCCCCCCSCn1cc[n+](c1)C,FN
+O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,TN
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Oc1ccccc1,TP
+O=CC1=CC2CC(CC2C2(C1(C=O)C2)C)(C)C,TP
+Oc1ncc2c3c1ccc1c3c(cc2)ccc1,FP
+COc1ccc2c(c1)ccc(c2)C(C(=O)O)C,FP
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2.Cl,TN
+CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,TN
+O=NN1CC[C@H](C1)O,TP
CC(c1ccc(cc1)OC[C@@H]1OC1)(C)C,TP
-ONc1cc2c([nH]1)cccc2,NA
-Cc1cnc2c(n1)c(C)c(c1c2nc(n1C)N)C,TP
-CC1CN(N=O)CC(N1C(=O)c1ccccc1)C,NA
-Nc1ccc(cc1C)S(=O)(=O)O,TN
-O=C1c2ccccc2C(=O)c2c1c(O)c(c(c2)O)C(=O)O,FP
-Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,FP
-CC(O)(C)C,NA
-CC(CC(=O)Nc1snc2c1cc(Cl)cc2)C,TN
-O=C([C@H]1[C@@H](C1(C)C)C=C(C)C)OCN1C(=O)C2=C(C1=O)CCCC2,NA
-NCN,NA
-ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,TN
-CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,TN
-CCCCOCCOCCO,TN
-CCCCCCCCCCCCCC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,TP
-BrCC(COP(=O)(OCC(CBr)Br)O)Br,TP
-OCc1ccc(o1)C=O,FN
-Oc1ccc2c(c1)c1c(cc2)ccc2c1n(C)cc2,TP
-CCCCC(COC(=O)c1ccc(cc1)C(=O)OCC(CCCC)CC)CC,TN
-C[C@H](CN)O,NA
-ClN1C2C1c1ccccc1-c1c2cccc1,TP
-ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,TP
-ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
-OC(=O)C1CSSC(C(=O)N1)(C)C,TN
-[O-][N+](=O)c1cccc2c1oc1c2cccc1,TP
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-OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,TN
-O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,NA
-O=Cc1ccccc1O,TN
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-[O-][N+](=O)c1cc2[nH]c3c(c2cc1N)cccc3,TP
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-FC(C(Cl)(Cl)F)(Cl)Cl,NA
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CCCC[C@H](COC[C@H]1CO1)CC,FN
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-[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,TP
-OOC([C@@H]1CC[C@H](CC1)C)(C)C,NA
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-[O-][N+](=O)c1cc(cc(c1Cl)[N+](=O)[O-])C(F)(F)F,TN
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-CCN(CCOc1ccc2-c3c(C(=O)c2c1)cc(cc3)OCCN(CC)CC)CC,NA
-O1CCOCCOCCOCCOCCOCC1,TN
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-O=C1C(c2ccc3c(n2)cccc3)C(=O)c2c1cccc2,NA
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-ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,NA
-CCN(CC)CC,TN
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-N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,TP
-O=C=NC1CCCCC1,NA
-C=CC(=O)OCCCCCCOC(=O)C=C,TN
-O=c1n(CC2CO2)sc2c1ccc(c2)OCC1CO1,TP
-CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl,TN
-O=Cc1ccc(cc1)O,TN
-CCCSSCC=C,NA
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-NNC(C(=O)O)(Cc1ccc(c(c1)O)O)C,FN
-Brc1c(Oc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br,TN
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-c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,FP
-C1CCCC1,TN
-ClC(C(Cl)(Cl)Cl)Cl,NA
-ONc1ccc(cc1C)C,TP
-CSSC,NA
-COc1cccc2c1nc1occc1c2OC,TP
-Cc1c(C)cccc1C,FN
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-N[C@@H](C(=O)O)Cc1ccc(cc1)F,TN
-NC(C(=O)O)CSC(C(Br)Br)(F)F,FN
-Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O,NA
-OC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2I)O)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,NA
-COc1nncc2c1nccc2,FP
-Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,TP
-COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,TP
-N#N=NCC(Cn1cnc2c1ncnc2SC)O,TP
-COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC,NA
-BrCCC(=O)N1CCN(CC1)C(=O)CCBr,NA
-Clc1ccc(cc1)c1nc2c(o1)cccc2,TN
-OC1CCCCC1,NA
-N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,TP
-[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,TP
-CCCCN(CC)CC,TN
-CC(COC(=O)C(=C)C)C,TN
-Clc1ccc(c(c1)Cl)C(Cl)(Cl)Cl,FN
-Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,TP
-O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,TP
-O=NN(C(=O)C(C(C)C)NC(=O)C)CC(=O)O,TP
-[O-][N+](=O)c1ccccc1Nc1ccccc1,FP
-Clc1ccc(c(c1)Cl)O,TN
-C[C@@H]1CN(N=O)[C@H](CN1N=O)C,TP
-Clc1ccc(cc1)C(=O)Cl,FP
-O=C(c1ccccc1O)OCc1ccccc1,TN
-OS(=O)(=O)c1ccc(cc1)NN=Nc1ccc(cc1)S(=O)(=O)O,FP
-ClC(=O)CCc1ccccc1,NA
-Nc1ccc2c(c1)nc1c(c2N)cccc1,TP
-NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,TN
-CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,TP
-FC(C(F)(F)F)C(F)(F)F,NA
-ClCC(CBr)(Br)C,TN
-Nc1ccc(cc1)N=Nc1ccc(cc1)N,TP
-O=C(Nc1ccccc1)CC(=O)C,TN
-c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,TP
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1F,TP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],TP
-Brc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
-ClC/C=C/CCl,NA
-ONc1ccc2-c3c(Cc2c1)cccc3,TP
-Cc1ccccc1Br,TN
-OCCN=N#N,NA
-Nc1ccc(cc1)N,TP
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1C(=O)C)O,FP
-[O-][N+](=O)c1cc(ccc1O)c1ccccc1,FP
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-O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,TP
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-[O-][N+](=O)c1ccccc1C(=O)Cl,TP
-CCNC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O,TN
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-CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,FN
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Cl,TP
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-[O-][N+](=O)NC(=N)N(N=O)CCCCCC,TP
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-CC(C(C)(C)C)OP(=O)(Cl)C,NA
-O=C1C=CC(=O)C(=C1)C(C)(C)C,FN
-CCCCON(C(=O)c1ccc(cc1)Br)OC(=O)C,TP
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-O=C1C=Cc2c(C1=O)ccc1c2c(C)cc2c1cccc2,FN
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-C/C=C\C=C/C(=O)O,TN
-C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,TP
-Sc1nc2c([nH]1)cccc2,NA
-Ic1ccc(cc1)N=N/C(=N/Nc1ccc(cc1)[N+](=O)[O-])/c1ccccc1,NA
-[O-][n+]1cccc2c1C1OC1C=C2,TN
-ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,TN
-OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1cc(cc2)C,TP
-OC(=O)CCN[N+](C)(C)C,NA
-[O-][N+](=O)C1=Cc2c3c(O1)cccc3ccc2,TP
-BrCCC(Br)Br,NA
-CC1=CC(=O)C(=CC1=O)C,TN
-O[C@H]1C(OC[C@H]([C@@H]1O)O)Nc1ccc(cc1)C,FN
-BrCCOC(=O)CC(C(=O)OCCBr)O,TP
-CC(=O)OCc1c2ccccc2c(c2c1c1ccccc1cc2)C,TP
-CCSC(=O)Cl,NA
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-O=C1c2ccccc2C(=O)C1(O)O,NA
-CCCCN(C(=O)N)N=O,TP
-CN1CCC(=CC1)c1ccccc1,NA
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-COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],FP
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-O=NN(CC(=O)C)COC(=O)C,TP
-COc1ccc(cc1)/C(=C\C(=O)O)/Br,FN
-ClC[C@H](O[C@@H](CCl)C)C,NA
-Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,TN
-COC(=O)c1ccc(cc1)C,TN
-CC(=O)OCc1ccco1,NA
-CC(c1cccc(c1)C(OOC(C)(C)C)(C)C)(OOC(C)(C)C)C,TN
-CNS(=O)(=O)c1ccc(cc1)N,FP
+CC1=CCC(CC1)C(O)(C)C,TN
Cc1c2cccc(c2nc2c1ccc1c2cccc1)C,TP
-CCc1ccccc1N,FP
-C1=COc2c(C=C1)c1cc3ccccc3cc1c1c2cccc1,TP
-C1C=Cc2c(C1)cc1c3c2ccc2c3c(cc1)ccc2,TP
-[O-][N+](=O)c1ccc(cc1)N=Nc1ccccc1,TP
-C=CC(=C)CCC=C(C)C,NA
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-Oc1c(O)cc(c2c1C(=O)c1ccccc1C2=O)O,TP
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+CCCCCCC[C@@H]1CCC(=O)O1,TN
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+N[C@@H](C(=O)O)Cc1ccc(cc1)F,TN
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CCCOC(=O)c1cc(O)c(c(c1)O)O,TN
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-OC1C(O)C(O)COC1(O)CN(c1ccc(cc1)C)N=O,FN
-O=C=Nc1ccc(c(c1)N=C=O)C,TP
-ClC(=C)C#N,NA
-COc1ccc2c(c1)[nH]c1c2CCN=C1C,TN
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-OCCN(N=O)CC,TP
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+Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,TN
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+Nc1nc2c(s1)cccc2,FP
+[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,TN
+O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,TN
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)ccc(c3)O,TP
+CCCCCCC(=O)O[C@@]1(C#C)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,TN
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,TN
+Oc1cccc(c1)/C=N/c1snc2c1cccc2,TP
+O=C1NC(=O)NC1(c1ccccc1)c1ccccc1,TN
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+OC1C2OC2c2c(C1O)cccn2,TN
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+CN(c1ccc(cc1)/N=N/c1ccccc1)C,TP
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+OC(=O)/C=C/c1ccccc1,TN
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+Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,TP
+Cc1ccc(cc1)N=NN(C)C,TP
+CCCC,TN
+Cc1cc2cccnc2c(c1)C(=O)O,TN
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+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3C=CO4)cc(c1c2=O)OC)O,TP
+Oc1c(Cl)cc(c(c1Cl)Cl)Cl,TN
+OC1CCC2(C(C1)CC(=O)C1C2CCC2(C1CCC2C(CCC(=O)O)C)C)C,TN
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+Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],TN
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OC(=O)c1cccc(c1C)[N+](=O)[O-],TP
-ClCCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
-OCC1OC(CC1O)n1cnc2c1nc(O)nc2N,TN
-Oc1ncnc2c1cccc2,NA
-O=CC(=C(Cl)Cl)C(Cl)Cl,NA
-CC(=O)OCc1ccc2c(c1)OCO2,TN
-ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,TP
-OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,TP
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-[O-][N+](=O)c1ccc(cc1)c1nc2-c(c([nH]1)N)ncn2,TP
-Sc1nc2c(s1)cccc2,TN
-N#CCC[C@](C#N)(CBr)Br,NA
-COc1ccc(cc1)N=[N+](c1ccc(cc1)OC)[O-],TP
-COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,TP
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COP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,FP
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-[O-][N+](=O)c1c2ccccc2c2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],TP
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+[O-][n+]1c2ccc3c(c2cc2c1ccc1c2cccc1)cccc3,FP
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+[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],TP
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+O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,TP
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+COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],FN
+Cc1ccc(c(c1)N)[N+](=O)[O-],FP
+CCCCNc1snc2c1cccc2,TN
+OC[C@H]1O[C@H](C[C@H]1O)n1ccc(=O)[nH]c1=O,TN
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+Clc1cc(Cl)cc(c1Oc1ccc(cc1)[N+](=O)[O-])Cl,FP
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CCc1cccc(c1N)CC,FN
-[O-][N+](=O)c1cc2ccccc2cc1C,FP
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O(CC1OC1)CCOCC1OC1,TP
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-[O-][n+]1cnc2c(c1N)[nH]cn2,TP
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-NCC1(C)CC(N)CC(C1)(C)C,NA
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OC(=O)CCCCCCCCC(=O)O,TN
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-[O-][N+](=O)OCCN([N+](=O)[O-])C,TP
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CC(N1C(=O)c2ccccc2NS1(=O)=O)C,TN
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-[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,TP
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-[O-][N+](=O)c1ccc2c(c1)c1ccccc1n2C,TP
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-[O-][N+](=O)c1ccc(c(c1)C(=O)O)C,TP
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-[O-][N+](=O)[CH-]C,NA
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-[O-][N+](=O)c1c(C)ccc2c1cccc2,TP
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-C1CCO1,FN
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-[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,TP
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-O=C1CN(CCN2CC(=O)N(C(=O)C2)CN2CCOCC2)CC(=O)N1CN1CCOCC1,NA
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-O=Nc1cc2OCOc2cc1O,NA
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-C=CCc1ccc(c(c1)O)O,FN
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-[O-][N+](=O)c1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],TP
-[O-][N+](=Nc1ccc(c(c1)N)C)c1ccc(c(c1)N)C,TP
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-[O-][N+](=O)c1ccc(cc1)/C=N/c1snc2c1cccc2,TP
-[O-][N+](=O)c1cc2cc(ccc2c2c1cccc2)[N+](=O)[O-],TP
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COc1c2C(=O)c3ccccc3C(=O)c2cc(c1C=O)O,TN
-[O-][N+](=O)/C=C/c1ccccc1,NA
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-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,TP
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-CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,TN
-CCCC(=O)Cl,TP
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+CC[C@H]([N+](=O)[O-])[C@H](O)C,TN
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+Clc1cccc2c1cccc2,TP
+CCCC(=O)Nc1snc2c1cccc2,TN
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+OC[C@H]([C@H]1OC(=O)C(=C1O)O)O,TN
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+CCCCCN(C(=O)C(NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,TN
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+Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TP
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+Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],TN
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+NC(=N)c1ccc2c(c1)[nH]c(c2)C(=N)N,TN
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+[O-][N+](=O)c1ccccc1O,TN
+COc1ccccc1NC(=O)c1csc(c1)[N+](=O)[O-],TP
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+CC(=O)N[C@H](C(=O)O)CSCCCl,TP
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+CC(=O)Nc1ccc(cc1)O,TN
+Nc1cc(N)c(cc1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O)/N=N/c1ccc(cc1)S(=O)(=O)O,TP
+C/C(=N\O)/CC,NA
+ClCCN(P1(=O)OCCCN1CCCl)CCCl,TP
+C=CC1CC2CC1C=C2,TN
+BrCC(COP(=O)(OCC(CBr)Br)O)Br,TP
+CCCCOC(=O)c1ccccc1N,TN
+Oc1ccc(cc1)Cc1ccccc1O,TN
COc1c2N(C)C3C(c2cc(c1OC)Cl)(O)C(C12N3C(=O)C(C)(SS1)N(C2=O)C)O,NA
-CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,TN
-Nc1nnc(s1)S,NA
-[O-][N+](=O)c1ccc(cc1C(C)(C)C)c1ccccc1,FP
-Nc1c(C)n(n(c1=O)c1ccccc1)C,FP
-OC(C(Cl)(Cl)Cl)O,NA
-COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,TN
-O=NN(CC(=O)C)CC(=O)C,TP
-[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
-ClCC(=O)Nc1snc2c1cc(Cl)cc2,TP
-Cn1ccnc1S,NA
-OCCc1c[nH]c2c1ccc(c2)[N+](=O)[O-],NA
-OCC#CCO,NA
-OC(=O)CCc1ccccc1,NA
-O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,FP
-CN(N=O)CC,TP
-CC(COC(=O)CCCCC(=O)OCC(C)C)C,NA
-Oc1nc(O)nc(c1)C(=O)O,NA
-C(COC[C@@H]1OC1)CCOC[C@@H]1OC1,TP
-COc1nsc2c1cc(OCC1CO1)cc2,TP
-CCN=[N+](CC)[O-],TN
-CCCC(=O)Nc1snc2c1cc(Cl)cc2,TN
-Clc1cccc(c1)C(F)(F)F,TN
-Nc1cc(C(C)C)c(c(c1)[N+](=O)[O-])N,FP
-ClC(=O)c1cccc(c1)[N+](=O)[O-],TP
-C=CCc1cc(OC)c2c(c1)OCO2,TN
-Nc1ccccc1SCSc1ccccc1N,TP
-O=NN(c1ccccn1)C,NA
-Nc1ccc2c(-c3ccccc3C2)c1,TP
-NCCCNCCCCN(N(N=O)O)CCCN,NA
-[O-][N+](=O)c1ccc(cc1)/C=C/c1ccccc1,TP
-ClC=C(C)C,NA
-CC(=O)OCc1ccccc1N=Nc1ccc(cc1)N(C)C,TP
-CCOCOCC,NA
-OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@H]4[C@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@@H](CC3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)O)O,TN
-C/C=C/C[C@H]([C@H]([C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)O)C,NA
-c1ccc(cc1)OP(Oc1ccccc1)Oc1ccccc1,NA
-CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,TN
-CC(=O)OC(c1ccc(o1)[N+](=O)[O-])OC(=O)C,NA
-OCCN(C(C)(C)C)CCO,NA
-BrCC1=C(Br)C(=O)OC1O,TP
-COc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
-CCCC(c1cc(c(cc1C)O)C(C)(C)C)c1cc(c(cc1C)O)C(C)(C)C,NA
-CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,TP
-CCC1(C(=O)NCNC1=O)c1ccccc1,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,TP
-OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,NA
-O=NN1CCC[C@@H](C1)C,TP
-CSCCC(C(=O)NC(C(=O)NC(C(=O)N)Cc1ccccc1)CC(=O)O)NC(=O)C(Cc1c[nH]c2c1cccc2)N,TN
-CCOC(C)(C)C,NA
-OCCN(c1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-])CCO,TP
-ClC(=O)Cc1ccccc1,NA
-CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,TN
-BrCC(=O)c1ccccc1,TN
-Cc1ccc2c(c1)c(ccc2)[N+](=O)[O-],TP
-ONc1ccccc1C,TP
-COc1cc(/C=C/C(=O)O)ccc1O,TN
-O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C,NA
-Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,TP
-O=C1C=C2c3c(C1=O)cccc3-c1c2cc2ccccc2c1,TP
-C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)O,TN
-CCC(C)(C)C,NA
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-[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],TP
-OC[C@H](CN(C[C@H](O)C)N=O)O,TP
-CC(COC(=O)c1ccccc1N)C,TN
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-CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C,TN
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TP
-OC1C2OC2c2c(C1O)ccc1c2c(C)c(C)c2c1cccc2,TP
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],TP
-COC(=O)C(Cc1ccc(cc1)Cl)N,NA
-c1ccc2-c3c([C@@H]4[C@H](c2c1)N4)c1ccccc1c1c3cccc1,TP
-OCc1c(OC)cc2c(c1OC)C(=O)c1c(C2=O)cccc1,FP
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-COc1ccc2c(c1)ccc(c2)CCC(=O)C,FP
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-[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,TP
-CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,TP
-Cc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-CN([N+](=O)[O-])C,NA
-Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,FN
-OC1C2OC2c2c(C1O)ccc1c2ccc2c1cc(cc2)O,TP
-CCCCN(CC(OCc1ccccc1)CO)N=O,NA
-Cc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2ccc2c1cccc2,TP
-OC1=C(O)C(=O)C1=O,TN
-ClCCN(c1ccc(cc1)CCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CCC(=O)N2)CCCl,NA
-CC(=[N+]([O-])[O-])C,NA
-Cc1ccc(cc1)S(=O)(=O)N1C2C1c1ccccc1-c1c2cccc1,TP
-ONc1cc[n+](c2c1cccc2)[O-],NA
-CC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,TP
-[O-][N+](=O)c1ccc2c(c1)c1c(cc2)cccc1[N+](=O)[O-],TP
-CCOC(=O)C(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,NA
-[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,TP
-OC(=O)C(NC(=O)COc1cc(Cl)c(cc1Cl)Cl)CC(=O)O,TN
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-N#Cc1c(Cl)cccc1Cl,NA
-[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3,TP
-O=NN1CCC[C@@H](C1)Cl,TP
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-CC(OC(=O)CC(=O)OC(C)C)C,NA
-Oc1ncnc(c1)O,NA
-Cc1ccccc1N=Nc1ccc(c(c1N)C)N,TP
-NS(=O)(=O)c1cccc2c1nccc2,NA
-OCc1ccc(cc1)C(F)(F)F,TN
-Clc1cc(Cl)c(c(c1)Cl)Cl,TN
-Sc1[nH]cnc2-c1ncn2,TP
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-Ic1cccc(c1)[N+](=O)[O-],TN
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-NNc1nncc2c1cccn2,TP
-O=C1c2cc(ccc2N=C1c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O)S(=O)(=O)O,TN
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-Cc1c(N)cccc1Cl,FP
-CCCC(=O)C,TN
-OCc1ccc2c(c1)c(C)c1c(n2)c2ccccc2cc1,TP
-CC(=C)C1CCC2(C(C1)O2)C,TN
-O=C(NCc1ccccc1)CCNNC(=O)c1ccncc1,NA
+CCCCN(CC)CC,TN
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[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1c1ccccc1c1c3c(cc2)ccc1,TP
-C/C=C/c1ccc2c(c1)OCO2,TN
-c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,TP
-CC1=CC[C@H]2C[C@@H]1C2(C)C,TN
-OC1C=Cc2c(C1O)c1cccnc1cc2,TN
-Clc1cc(Cl)cc(c1[N+](=O)[O-])Cl,TN
-O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,TN
-CN1CCN=N1,NA
-COCCCN,NA
-Clc1ccc2c(n1)cccc2,NA
-OC1C=CC2=C(C1O)c1cccc3c1c2ccc3,NA
-CCCC(=O)Nc1snc2c1cccc2,TN
-CC1=CC[C@H](CC1)C(=C)C,TN
-O=C(C(=O)c1ccccc1)c1ccccc1,TN
-Nc1cccc2-c3c4c(-c12)cccc4ccc3,TP
-CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,TP
-OC(=O)COc1ccc2c(c1)cccc2,FP
-C=COC(=O)C=C,NA
-C1CCc2c(C1)cccc2,TN
-C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C)/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C,FN
-CCCCCCCCCCCCCN1CC(C)OC(C1)C,TN
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-[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,TP
-c1cc2ccc3c4c2c(c1)c1cccc2c1c4c(cc3)cc2,TP
-BrCc1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
-CCCBr,NA
-O=C1NCCN1c1ncc(s1)[N+](=O)[O-],TP
-Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,TN
-CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,TN
-NCCO,NA
-CCCCCCCCCCCCCCCCN,TN
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-Cc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,TP
-ONc1ncnc2c1ncn2Cc1ccccc1,TP
-Nc1nc2c(s1)ccc1c2cccn1,NA
-O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
-OC1C2OC2c2c(C1O)ccc1c2cc2ccc3c(c2n1)cccc3,FP
-COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)C,TP
-CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,TN
-Cc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,TP
-OC1C2OC2c2c(C1O)ccc1c2nccc1,TP
-OC/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,TP
-C1CN1c1nc(nc(n1)N1CC1)N1CC1,NA
-O=C(N(c1ccccc1)C)c1csc(c1)[N+](=O)[O-],TP
-CCCCCCC(=O)O,TN
-[O-][N+](=O)c1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],TP
-OC1=C(O)c2nc3c(cc2C24C1(CCCC4)O2)ccc1c3cccc1,NA
-OC1c2ccccc2Oc2c1cccc2,NA
-CCN(c1ccc(c(c1)O)N=O)CC,TN
-COc1nsc2c1cccc2[N+](=O)[O-],TP
-CN1CCC=C2C1CCc1c2nc(s1)N,NA
-C[C@]1(N)CC[C@H](CC1)C(N)(C)C,NA
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1C=CCC2,TP
-CC(CCCCCCCOC(=O)C(=C)C)C,TN
-CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1,NA
-[O-][N+](=O)c1ccc(c(c1)N)O,TP
-CN(CCNC(=O)c1cccc2c1cc1ccccc1n2)C,TP
-NC=O,NA
-CCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CC,TP
-OC(=O)C1(N)CCCC1,NA
-c1ccc2c(c1)cc1-c3cccc4c3c(-c1c2)ccc4,TP
-O=c1c2cccc3c2c2c1cccc2cc3,TP
-[O-][N+](=O)c1ccc2c(c1)NCC2,TP
-COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
-C1CCCO1,TN
-C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O,TN
-OCCN(c1ccc(c(c1)C)N=Nc1ccc(cc1)N)CCO,TN
-BrCC(=O)c1ccc(cc1)Br,TN
-CCCC(=O)Nc1snc2c1cc(C)cc2,TN
-OCCCCCCC/C=C/C=C/C,NA
-BrC(C(Br)(C)C)COP(=O)(OCC(C(Br)(C)C)Br)OCC(C(Br)(C)C)Br,NA
-OC(=O)/C=C/C(=O)CC(=O)C,NA
-CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,FP
-C=CCC1=C(C)[C@@H](CC1=O)OC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,FN
-Clc1ccccc1Cl,TN
-O=C(N1CCCCC1)/C=C/C=C/c1ccc2c(c1)OCO2,NA
-ClCC(=O)Nc1snc2c1cccc2,FN
-ClCCN(C)C,TP
-N#CCC#N,NA
-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,TP
-ON(C(=O)c1ccccc1)c1ccc2-c3c(Cc2c1)cccc3,TP
-OCCOCCO,TN
-CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C,TN
-Fc1ccccc1,NA
-CC12CCC(C2(C)C)CC1(C)O,TN
-Cc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O,FP
-C=CC(=O)OCCOCCOC(=O)C=C,TN
-OCCCc1ccccc1,NA
-OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,TN
-CCC(C1NC(=O)C(=C1O)C(=O)C)C,NA
-Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,TP
-CCCN(C(=O)SCC)CCC,TN
-O=NN(C(=O)N)C,TP
-C=CC(=O)N(C[C@@H]1OC1)C[C@@H]1OC1,NA
-C[C@@H]1CNC[C@H](O1)C,NA
-N#Cc1ccccc1,TN
-Cc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,TP
-[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],TP
-Nc1ccc(cc1)O,FP
-ClCc1ccc(cc1)Cl,NA
-CC(NC(=O)c1cccnc1)CNC(=O)c1cccnc1,TN
-CC[C@@H](NCCN[C@@H](CO)CC)CO,TN
-Nc1cc(N)c(cc1N=Nc1ccccc1C)C,TP
-CCCCCCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,TN
-[O-][n+]1cccc(c1)C1CCC(=O)N1C,TN
-NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,NA
-Clc1cnn(c(=O)c1Cl)C(=O)c1ccccc1,TN
-O=C/C=C/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc(c2c1cccc2)C,TP
-C=CCc1ccc(c(c1)OC)OC,TN
-[O-][N+](=O)c1ccc2c(c1)c(N)c1c(n2)cccc1,TP
-c1ccc2-c3c(Cc2c1)cccc3,FP
-COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,FP
-Oc1nc(Cl)nc(n1)Cl,NA
-C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,TN
-OC1COC(=C(C1=O)O)C,NA
-Cc1ccc(c(c1)N)C,TP
-Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,TN
+Oc1ccccc1c1ccccc1O,FP
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+ClC[C@@]12[C@H](Cl)[C@@H]([C@H]([C@]2(CCl)C(Cl)Cl)CC1(Cl)Cl)Cl,FN
+NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,TN
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+BrCc1ccccc1[N+](=O)[O-],TN
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+OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,TN
+Cc1ccc2c(c1)ccc(c2)[N+](=O)[O-],TP
+OC(=O)O.[Ca+2],TN
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+Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,TN
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+NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,TN
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+OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1,TP
+OC1=CC(=O)C1=O.[Na+],TN
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+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,TP
+ONc1nc(N)nc2c1nc[nH]2,TP
+O=C1c2ccccc2Cc2c1cccc2,TP
+CC(CCC[C@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@H]2[C@@]3([C@]1(C)CC[C@@H](C3)OC(=O)C)[N@@]2N1C(=O)c2c(C1=O)cccc2)C)C,TP
+C=CC(=O)OCCCCCC(C)C,TN
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+CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,TN
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+CC(c1ccccc1)(OOC(c1ccccc1)(C)C)C,FP
+OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,TN
+Nc1cc(N)c(cc1N=Nc1cccnc1)C,TP
+OC1CCCc2c1c([N+](=O)[O-])c1c3c2ccc2c3c(cc1)ccc2,FP
+O=C(OC(C)(C)C)/C=C/c1ccc(o1)[N+](=O)[O-],TP
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+OC/C=C(\CCC=C(C)C)/C,TN
+Oc1ccc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,TP
+OC(=O)c1cc(Cl)cc(c1)Cl,TN
+CCCCCN(CCCCC)CCCCC,TN
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+ClC(=C[C@H]1[C@@H](C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,TP
+Nc1ccc2c(c1)scn2,TP
+O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,FN
+O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)O)C,TN
+OC(=O)[C@@H](CCl)Cl,TN
+BrC[C@H]([C@H](O[P@](=O)(O[C@@H]([C@@H](CBr)Br)C)O[C@@H]([C@@H](CBr)Br)C)C)Br,TP
+c1ccc2c(c1)c1Cc3ccc4c(c3Cc1cc2)cccc4,FN
+c1ccc2c(c1)[nH]cc2,FP
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+Sc1ncnc2c1[nH]cn2.O,TP
+Br/C=C(/c1ccc(cc1Cl)Cl)\OP(=O)(OC)OC,TN
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,TN
+N#CC(N=NC(C#N)(C)C)(C)C,NA
+Clc1cccc(c1O)Cl,TN
+OC(=O)[C@H](O)C.CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N,TP
+ONc1ccc(cc1)c1ccc(cc1)C(C)(C)C,TP
+Fc1cccc2c1ccc1c2nccc1,TP
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+Cc1c2cnccc2c(c2c1c1ccccc1[nH]2)C,TP
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,TN
+Oc1cc(Cl)c(c(c1)Cl)Cl,TN
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+OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
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+Fc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
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+Clc1ccccc1C(C(C1(Cl)CC1)(Cn1cncn1)O)O,TN
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+COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,TN
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+CC(C1CCC2(CC1)OC2)(C)C,TN
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+CCCCOC(=O)C,TN
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+Clc1ccc2c(c1)nsc2N,FN
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+CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,TN
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+[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C,TN
+CN(c1ccc(cc1)/N=N/c1cccnc1)C,TN
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+O=C1C(=C(Cl)C(=O)c2c1cccc2)Cl,TP
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+CC(=O)Nc1ccc(cc1)C(=O)[C@@H]1O[C@H]1c1ccccc1,FN
+N[C@H](C(=O)O)CS/C=C/Cl,FP
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+O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2,TN
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+S1CCSCC1,NA
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+Fc1c(F)c(F)c(c(c1F)Cl)F,TN
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+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cccc1,TP
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+O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
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+CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,TN
+COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,TN
+CC[C@H]1CN2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC,TN
+Fc1cccc2c1ccc1c2cccn1,TP
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+OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,FP
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+CCCCCCCCCCCCCCCCCC(=O)N,TN
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+COc1cc(N)c2c(c1N)C(=O)c1c(C2=O)cccc1,TP
+CC(=O)Nc1ccc(cc1)S(=O)(=O)N,TN
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+O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,TP
ClCCNCCCNc1c2ccccc2nc2c1cccc2,TP
-Clc1cnn(c(=O)c1Cl)S(=O)(=O)c1ccccc1,TN
-CSCC(C(=O)O)NC(=O)C(SC)(C)C,TN
-O[C@H]1[C@H](O)C=Cc2c1ccc1c2cc2c3c1CCc3c(cc2)C,TP
-COC1C(N)CC(OC1C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,TP
-CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c1ccccc1)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C,NA
-CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,FP
-CCC(OS(=O)(=O)C)C,TP
-ClSC(Cl)(Cl)Cl,NA
-n1ccc(cc1)c1ccccn1,TP
-O=C(c1ccccc1)OOC(=O)c1ccccc1,TN
-O=Cc1cccc(c1)[N+](=O)[O-],TP
-Cc1ccc(cc1)C(C)(C)C,NA
-O=C(Nc1n(C)nc(c1C(=O)c1ccccc1F)C)CNCCCN1CCCC[C@H]1C,NA
-COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@@H](CC2)NC(=O)C)OC)c1OC,TN
-COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,TP
-BrCC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,TP
-[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,TP
-N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1OC)NS(=O)(=O)C)c1c(n2)cccc1,TP
-C[C@H](c1cc2ccc3c4c2c(c1)ccc4ccc3)O,TP
-OCCn1c(=O)n(CCO)c(=O)n(c1=O)CCO,NA
-CC(=O)CCl,TN
-O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,TN
+CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,TN
+CC(=O)Nc1cccc2c1cccn2,FP
+ClCCCCN(COC(=O)C)N=O,TP
+O[C@H](COc1cccc(c1C)C)CNC(C)(C)C,TN
+CCCC=O,TN
+OCC1(C)C=C2C(=C(C)C3(C(C2=O)(C)O)CC3)C1O,TP
+Cc1ccc(c(c1C(c1ncc(n1C)[N+](=O)[O-])O)O)C(C)(C)C,TN
+CC(=O)c1cccc2c1OC1(C2(C)OO1)C,TP
+Cc1ccc(cc1)Cc1ccccc1,TN
Cc1cccc(c1)[N+](=O)[O-],FP
-CN(CCC=C1c2ccccc2CCc2c1cccc2)C,TN
-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)c(ccc1)[N+](=O)[O-],TP
-BrCC1=C(Br)C(=O)OC1,TP
-ONc1cnc2c(c1)nc1n2cccc1,TP
-Nc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
-CC(C#N)C=C,NA
-O=C1c2ccccc2C(=O)c2c1ccc(c2O)O,TP
-O=C(N[C@H](C(=O)NCC(=O)O)CSC(=C(Cl)Cl)Cl)CC[C@@H](C(=O)O)N,TP
-Nc1cccc2c1c1ccccc1cc2,FP
-Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,TN
-CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C,FN
-[O-][N+](=O)c1ccc2c3c1cccc3c1c3c2cccc3ccc1[N+](=O)[O-],TP
-O=C(OC(C)(C)C)N/N=C/C1=CN(O)c2c(N1O)cccc2,TP
-Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,TN
-O/N=C(/c1ccc(c(c1)O)O)\N,TP
-O=C1c2ccccc2C(=O)c2c1ccc1c2nc2c(n1)c1c(cc2)c(O)c2c(c1O)cccc2,NA
-CC(=O)Nc1ccc(c(c1)N)C,TP
-c1cnc2c(c1)CCC1C2O1,TN
-CCOP(=S)(OCC(C)C)SCCl,TN
-OC(=O)CNCP(=O)(O)O,NA
-C(C1OC1)Cc1ccccc1,TP
-OC(=O)c1ccc(cc1)C,TN
-NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,TP
-ClCCC(CBr)Br,NA
-OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)OC2OC(CO)C(C(C2O)O)O)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,FP
-COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],FP
-CCOc1ccc(cc1)N=O,TP
-O/N=C/C1N(CCN(C)C)C=CN1C,TN
-ClC[C@@H](CBr)Cl,NA
-CC(c1ccccc1)Br,TN
-O=Cc1ccccc1Cl,TN
-CCCCCCCCCCCCN(N=O)C,TP
-CCCCCCC(COc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)OCC(CCCCCC)CCCC)CCCC,NA
-Nc1ccc(c(c1)[N+](=O)[O-])C,TP
-ClC[C@H]1CO1,NA
-CCN(c1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=[N+](CC)CC)c1)CC,TN
-COCC1OC(=O)N(C1)c1ccc2c(c1)sc(n2)C(CCC#N)O,NA
-COC(=O)C(=C)Cl,NA
-CNC(=O)ON(C(=O)NC)C(=O)NC,FP
-COc1c2cc(OC)cc(c2c(c2c1cc(C)oc2=O)O)O,NA
-ON1C(C)(C)CCCC1(C)C,NA
-c1cnc2c(c1)c1CCC3C(c1cc2)O3,FP
-Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,TP
-CCCCOCCO,TN
-CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,TN
-Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3)cccc2,TN
-OC(=O)c1cccc2c1nccc2,TN
-COc1ccc2c(c1OC)nc1c(c2OC)CCO1,NA
-O=Cc1c(O)c(O)c(c2c1c(O)c(c(c2)C)c1c(C)cc2c(c1O)c(C=O)c(c(c2C(C)C)O)O)C(C)C,NA
-CCN(c1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC,TN
-CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,TP
-Clc1ccc(cc1)c1nc2n(c1[N+](=O)[O-])CCS2,TP
-Nc1scc(n1)c1ccc(s1)[N+](=O)[O-],TP
-O=c1ccc2c(o1)cc1c(c2)cco1,FP
-COC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],TP
-Clc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
-COC(=O)[C@@]12O[C@@]2(C)[C@@](OC1=O)(C)O,NA
-CCCCN(N=O)CCCC,TP
+Cc1ccc(c2c1n(C)c1c2cccc1)C,TP
+[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)ccc1c2c(C)ccc1C,TP
+O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,TP
+CCCCN(C[C@H](C1=CC(=[N+]=[N-])C(=O)C=C1)O)N=O,TP
+OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1,TN
+[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],TP
+CCCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CCC,TP
+CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,FP
+OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,TN
+Oc1cccc2c1cccc2,FP
+Nc1ccc2c(c1)[nH]c1c2cccc1,TP
+COc1ccc2-c3c(OC)c(OC)cc4c3c(C(=O)c2c1)ncc4,TP
+CCCCCCCCCCCC[C@H]1CO1,TN
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)C1C(O3)O1,TP
+O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,TP
+OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,FP
+OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],TN
+O(C[C@@H]1OC1)CCOC[C@@H]1OC1,TP
+Nc1ccc(cc1)c1cc(Cl)c(c(c1)Cl)N,TP
+Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,TP
+COc1ccccc1C[C@H]1CO1,TP
+COc1c2ccccc2nc2c1cco2,TP
+O=Nc1cccc(c1)C,FP
+Cc1nc2c(nc1C)ccc1c2nc(n1C)N,TP
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2cc(N=N#N)ccc2nc2c1ccc(c2)N=N#N,TP
+OC(=O)CCC(=O)OC[C@@H]([C@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl,TN
+CCOC(=O)OC(=O)OCC,TN
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1Cl)/sn2C(=O)c1ccccc1Cl,TP
+CCCC(=O)Nc1snc2c1cc(Cl)cc2,TN
+CCOc1nc(N)nc(n1)N,TN
+COc1ccc(cc1)/C=C/c1ccc(cc1)N,TP
+OC(=O)c1ccccc1O.[Na+],TN
+CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,TN
+OC1C(O)C2OC2c2c1ccc1c2c2ccccc2cc1,TP
+CCCCCCCCCCCCCCCCCC(=O)O,TN
+CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C,TN
+CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,TP
+CNC[C@@H](c1ccc(c(c1)O)O)O,TN
+O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,TP
+[O-][N+](=O)c1ccc2c(c1)c1c(cc2[N+](=O)[O-])cccc1[N+](=O)[O-],TP
+C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C,TN
+C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,TN
+CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,FP
+NC(=O)OC1CO1,TP
+CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,TP
+OC(=O)C/C(=C\C(=O)O)/C(=O)O,TN
+Cc1ccccc1OP(=O)(Oc1ccccc1C)Oc1ccccc1C,FN
+n1sc2c(c1)cc(cc2)OC[C@H]1CO1,TP
+CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,NA
+O=NN1CCNC1=O,TP
+O=C(c1cnccc1C(F)(F)F)NCC(=O)O,TN
+[O-][N+](=O)c1ccc(c(c1)N)N,TP
+OC1C=CC2C(C1O)O2,TP
+c1cc2ccc3c4c2c(c1)ccc4cc1c3CC[C@@H]2[C@H]1O2,TP
+COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,TN
+[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-],TP
COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1C1CCOC1O2,TN
-COCCOC1(COCCOC(=O)CCCCCCC/C=C/CCCCCCCC)OCC(C1OCCOC)OCCOC,NA
-CN(c1ccc(cc1)Cc1ccc(cc1)N(C)C)C,TP
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,TP
-COc1cc(Oc2ccc(cc2Cl)Cl)cc(c1)[N+](=O)[O-],FP
-Nc1ccccc1c1ccccc1,TP
-CCc1ccc(cc1)C,TN
-Oc1cccc2c1c(cc1c2c2c([nH]1)ccc1c2cccc1)[N+](=O)[O-],TP
-Fc1ccc2c(c1)c1ncccc1cc2,TP
-OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2,TP
-[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
-C#CCc1ccc(o1)COC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,NA
-N#N=NCC(Cn1cnc2c1nc(N)nc2Cl)O,TP
-Oc1cc(O)c2c(n1)cccc2,TP
-O=C(Nc1ccccc1)Nc1ccccc1,TN
-Cc1ccc2c(c1)nc(n2C)N,TP
-CCOC(=O)[C@@H]1O[C@H]1c1ccccc1,NA
-OC(=O)CBr,NA
-Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
-OCCC#N,NA
-[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2)[N+](=O)[O-],TP
-CN(C(=O)Cl)C,NA
-ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,TN
-Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl,NA
-CCn1cc(C(=O)O)c(=O)c2c1cc(N1CCN(CC1)C)c(c2)F,TP
-[O-][n+]1ncc2c(c1)cccc2,NA
-CCC(C(=O)NC(=O)N)(CC)Br,NA
-CCOC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,TP
-CC(=O)Nc1ccc(cc1)[C@H]1O[C@H]1C(=O)c1ccccc1,FN
-OCCCN(N=O)CC,TP
-Nc1ccn(c(=O)n1)CC(CN=N#N)O,TP
-C=Cc1ccc(cc1)C,TN
-O=CC1=C2CC(CC2C(C2(C1(C=O)C2)C)OC(=O)C)(C)C,FP
-[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc2c1cccc2,TP
-Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,TP
-Cc1ccc2-c3c([C@H](c2c1)C)cccc3,TP
-Nc1ccc(c(c1)[N+](=O)[O-])Cc1ccc(cc1[N+](=O)[O-])N,TP
-COc1ccc2c(c1)c(CC(=O)O)c(n2C(=O)c1ccc(cc1)Cl)C,NA
-[O-][N+](=O)c1ccc2-c3ccc(cc3CCc2c1)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc2c(c1)c(Cn1cncc1)c(n2Cc1ccccc1)C,NA
-O=C(c1csc(c1)[N+](=O)[O-])Nc1cccc(c1)[N+](=O)[O-],TP
-OCCCBr,NA
-CCCOC(=O)C(=C)C,TN
-Oc1cccc2c1ccc1c2cc2c(n1)ccc1c2cccc1,FP
-CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,TN
-[O-][N+](=O)c1cc2CCc3c4c2c(c1)ccc4cc(c3)[N+](=O)[O-],TP
-CCC(c1ccc(cc1)O)(C)C,TN
-ClC(=C(Cl)Cl)Cl,NA
-OC(=O)C(Cn1cncc1)N,NA
-CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)C,TN
-c1ccc2c(c1)c1ccc3c4c1c(c2)C1OC1c4ccc3,TP
-Cc1c2ccccc2cc2c1cccc2,TP
-CCCCOC(=O)CCCCCCCCC(=O)OCCCC,TN
-O=C(NC(C(=O)O)C)COc1ccc(cc1Cl)Cl,TN
-C1Cc2ccc3c4c2c(C1)cc1c4c2c(c3)CCCc2cc1,TP
-CCCCCCCC(=O)CCc1ccc(c(c1)OC)O,TN
-[O-][N+](=O)c1cnc(s1)NC(=O)NCCCl,TP
-CCCCOC(=O)c1ccccc1C(=O)OC1CCCCC1,TN
-CCc1[nH]c2c(n1)c1c(cc2)ccc2c1cc(O)cc2,TP
-ClC(=O)c1ccccc1C(=O)Cl,TP
-CCc1cccc2c1nccc2,TP
-O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,FN
-O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,TN
-Nc1ccc(c(c1)Cl)C,TP
-[O-][N+](=O)c1ccc2c3c1cccc3CC2,TP
-Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,TP
-CC(=O)NC1=NC(=NOC1)c1ccc(o1)[N+](=O)[O-],NA
-COc1c2cccc(c2nc2c1cco2)O,TP
-OC1C=CC=CC1O,TP
-Oc1ccc(cc1)C(c1ccccc1)(C)C,TN
-[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(n1)cccc2,TP
-Ic1cc(Cl)c2c(c1O)nccc2,FP
-Fc1cccc(n1)F,FP
-Oc1ccc2c(c1)[nH]c1c2ccnc1C,TP
-Oc1ccc(c(c1)C)Cl,TN
-CCCCN(CC(=O)CC)N=O,NA
+ClC(=O)c1c(Cl)cccc1Cl,FN
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1O)OC1OC(CO)C(C(C1O)O)O)OC1OC(C)C(C(C1O)O)O,TN
+COc1cc(N=Nc2ccc(cc2)N)c(cc1N=Nc1c(O)c2cc(N)ccc2cc1S(=O)(=O)O)C,TP
+NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,TN
+Oc1cc2c3c4c1cccc4ccc3cc1c2cccc1,TP
+O1C[C@@H]1Cc1ccccc1,TP
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@H](c1ccc(cc1)Cl)C(C)C,TN
+Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,TP
+ClCCC(=O)N(c1snc2c1cccc2)C,FN
+[O-][N+](=O)c1ccc(cc1)Sc1ccccc1,TP
+O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,TN
+OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
+Clc1cc(ccc1Oc1ccc(c(c1)F)N)C(F)(F)F,FN
+Cc1c2ccccc2c(c2-c3c4c(-c12)cccc4ccc3)C,TP
+O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,TN
+Nc1ccc2c(c1)nc1c(c2N)cccc1,TP
+COc1ccc(cc1)C(C=C)O,FP
Oc1ccc(cc1)c1ccc(cc1)O,FP
-c1ccc(cc1)c1ccccc1OCC1CO1,TP
-COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,NA
-COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O,NA
-OCc1ccc(cc1)Br,TN
-OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,TN
-ClCCSCC(C(=O)NCC(=O)OC)NC(=O)CCC(C(=O)O)N,TP
-Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N,TP
-Oc1ccc2c(c1)c1c(cc2)ccc2c1oc(n2)C,NA
-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],TP
-O=Nc1ccc(cc1)Sc1ccccc1,TP
-c1ccc2c(c1)cc1c(c2)cc2c(c1)cccc2,TP
-OCC(CO)(CO)CO,NA
-CC(=O)OC1C(OC2OC(C)C(C(C2O)OC(=O)C)O)C(OC(=O)C2CCC3C(C2)OC2(C43CO4)OCC(C(C2)OC(=O)/C=C/c2ccccc2)C)OC(C1O)C,TN
-CC(CC(O)C)C,NA
-Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,TP
-Cc1cc([N+](=O)[O-])c(c2c1n(C)c1c2cccc1)C,TP
-COc1cc2c(cc1OC)nc1c(c2OC)cco1,TP
-CCCOO,TP
-COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,FP
-OCCCCN(N=O)C,TP
-CN(CCNC(=O)c1cccn2c1nc1ccccc1c2=O)C,TP
-[O-][N+](=O)c1cc2c(O)cccc2c2c1c(cc1c2OCO1)C(=O)O,TP
-Cc1ccc(c(c1)O)C(C)C,TN
-CN1CC(CC2C1Cc1c[nH]c3c1c2ccc3)C(=O)NC1(OC2(N(C1=O)C(Cc1ccccc1)C(=O)N1C2CCC1)O)C(C)C,NA
-CNc1ccc(cc1)N=Nc1ccc2c(c1)scn2,TP
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCCCCC,TP
-NNc1nncc2c1cccc2,TP
-ClCCOC(=O)C=C,FN
-Cc1nccnc1C,NA
-CNc1ccccc1N,TP
-[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,TP
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-O=CN(C)C,NA
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-O=c1oc2cc(ccc2cc1c1ccccc1)n1nc2c(n1)c1ccccc1cc2,NA
-O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)COc1ccc(cc1Cl)Cl,TN
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-[O-][N+](=O)c1ccc2c(c1)cns2,TP
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O=C1c2cc(cc(c2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
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-[O-][N+](=O)c1cc2ccc3c4c2c(c1O)ccc4ccc3,TP
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-[O-][N+](=O)c1cc2c(snc2cc1)C(C(=O)OCC)(C#N)C,TP
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OCC(=O)N(c1ccc(cc1)Cl)O,TN
-O=C/C=C/c1ccc(o1)[N+](=O)[O-],TP
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-OC1c2ccccc2-c2c(C1O)c(C)c1c(c2)cccc1,FN
-CCOCC=O,NA
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-[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O,FP
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-O=Nc1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],TP
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-S=c1ssc(c1C)c1cnccn1,NA
-N#N=Nc1nc2c(n1C)c1cccnc1cc2,TP
-COC1=CC(=O)C[C@H]([C@@]21Oc1c(C2=O)c(OC)cc(c1Cl)OC)C,NA
-[O-][N+](=O)c1cc2cc(cc(c2c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
-CCC[C@H](C[C@H]([C@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@H](N)C)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,TN
-CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,TN
-OC(=O)CC(C(=O)O)N,TN
-BrCCCBr,FP
-CC(=O)C=C,NA
-O=C1CC=C(O1)C,NA
-NNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc(c(c1)N)C,TP
-OCC(C(=O)O)N,NA
-OCC(=O)O,NA
-COc1cc(ccc1N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,FP
-C1CCOCO1,NA
-Cc1ncc(nc1)C,TN
-Clc1cc2ccccc2c2c1cccc2,TP
-c1ccc2-c3c([C@H]4[C@@H](c2c1)N4)ccc1c3cccc1,TP
-C/C=C/c1ccc(cc1)OC,TN
-[O-][N+](=O)c1c(O)cc2-c3c(-c4c2c1ccc4)cccc3,TP
-Oc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O,FP
-CN(c1nc2c(n1C)ccc1c2cccn1)C,TP
-CN(CCCN1c2ccccc2CCc2c1cccc2)C,NA
-Cn1cc2c(n1)c(ccc2)[N+](=O)[O-],TP
-c1ccc2c(c1)c1cccc3c1c1c2cccc1cc3,TP
-CC(=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C,NA
-C=CC(=O)OCCCCCC(C)C,TN
-O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],TP
-Cc1ccc2c(c1)ccc1c2cccc1,TP
-OCc1ccc(cc1N)[N+](=O)[O-],FN
-Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccccn1,NA
-COc1cc(CNCC(COc2ccc3c(c2)ccc(n3)O)O)ccc1OC,NA
-CCC(CC(CC(Cl)C)Cl)Cl,NA
-Brc1cc2cccnc2c(c1)C(=O)O,TN
-[O-][N+](=O)NC(=N)N(N=O)CCCCC,TP
-CN(CCCNc1c2ccccc2nc2c1c(ccc2N(C)C)[N+](=O)[O-])C,TP
-OOC1(C)c2ccccc2-c2c1cccc2,NA
-Clc1nc2ccccc2nc1Cl,NA
-OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,TP
-[O-][N+](=O)c1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-],TP
-CNc1snc2c1cccc2,TN
-O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,TN
-[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,TP
-CCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,FP
-O=NN(c1ncn(c1C(=O)NC)C)C,FP
-COc1cc(cc(c1O)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)OC1OC2COC(OC2C(C1O)O)C,TN
-OC(=O)C/C(=C/C(=O)O)/C(=O)O,TN
-OC1C=Cc2c(C1O)nccc2,TN
-OC1C=CC2C(C1O)O2,TP
-O=C1C(=O)C2(C(C1CC2)(C)C)C,NA
-Clc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
-ClCCN(c1cccc(c1)/C=C/C(=O)OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(=O)N2)C)C)CCCl,TP
-ClC(C(=O)C)Cl,FN
-C[C@H](CN(C[C@H](O)C)N=O)O,TP
-O=C1Nc2c(C1=O)cc(cc2)S(=O)(=O)O,NA
-CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],TN
-CN(CCNC(=O)c1cccc2c1cc1ccccc1c2)C,TP
-OC1OC(=O)C(=C1C)Cl,TP
-c1ccc2c(c1)[nH]c1c2ccnc1,NA
-N[C@@H](C(=O)O)CS,NA
-ClCc1cccc(c1)[N+](=O)[O-],FN
-CCN(CCC[C@H](Nc1cc(OC)cc2c1nccc2)C)CC,TP
-O=CCC(c1ccc(cc1)C(C)(C)C)C,NA
-O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TP
-CCc1nc(N)nc(c1c1ccc(cc1)Cl)N,NA
-O=C/C(=C/c1ccccc1)/Br,NA
-COC(=O)CCCCC(=O)OC,TN
-OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TN
-CN(c1ccc(cc1)C(=N)c1ccc(cc1)N(C)C)C,TP
-Oc1c(cc(cc1[N+](=O)[O-])c1ccccc1)[N+](=O)[O-],TP
Oc1ccc2c(c1)ccc1c2ccc2c1cccc2,TP
-O=Nc1ccc(cc1)c1ccc(cc1)C(C)(C)C,TP
-Cc1cc2ncccc2c2c1n(C)c(n2)N,TP
-Clc1cc(Cl)nc(n1)Cl,NA
-[O-][N+](=O)c1ccc(cc1)N=Nc1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)N=Nc1ccccc1)S(=O)(=O)O,TP
-CCOc1ccccc1[N+](=O)[O-],FN
-c1ccc2-c3cc4ccccc4cc3C3C(c2c1)N3,TP
-C=C[C@H]1CO1,NA
-S=C(NC1CCCCC1)NC1CCCCC1,NA
-CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,TN
-CCC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC,TP
-Oc1ccc(cc1N)S(=O)(=O)O,TN
-CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,NA
-CCOc1ccc(cc1NC(=O)C(=O)Nc1ccccc1CC)C(C)(C)C,NA
-ON=C,NA
-Clc1cc(Cl)c2c(c1O)nccc2,FP
-OCCc1c(nc(n2c1ncn2)N)c1ccccc1,TN
-Brc1cc(Br)cc(c1OCCOc1c(Br)cc(cc1Br)Br)Br,NA
-ClC1C2C(Cl)C(C(C1Cl)(C2(C)C(Cl)Cl)C(Cl)Cl)Cl,TN
+O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,TP
+S=C=Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],TP
+O1C2C1c1cccc3c1-c1c2cccc1C1C3O1,TP
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],TP
+O=Nc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,FN
+OCC12C(C=C(C(=O)C1O)C)OC1C3(C2(C)CC1O)CO3,TN
+OCc1nc(N)nc(c1)C1CC1,TN
+BrCc1cccc2-c3c4c(-c12)cccc4ccc3,TP
+N[C@@H]1CCC[C@H](C1)N,TN
+OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)[C@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2,TP
+COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,FN
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OCC,TP
+C[C@@H]1CCC[C@@H](N1CCC[C@](c1ccccn1)(c1ccccc1)O)C.Cl,TN
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C,TN
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COC(=O)c1ccco1)CC,TP
+COc1ccccc1N,TP
Nc1ccc2c(n1)c1ccccc1cc2,TP
-ClC(=C1OC(=O)C(=C1Cl)Cl)Cl,TP
-C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,TN
-N#Cc1ccc2c(c1)n(C)c(n2)N,TP
-N#Cc1cc(Br)c(c(c1)Br)O,NA
-CC(N(C(C)C)N)C,NA
-CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,FP
-C=C1CC(=O)O1,NA
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)N(C(=O)C)O,TP
-CCCC[C@H](COCCCN)CC,TN
-OCC1(CO)CO[C@H](N1)c1ncc(n1C)[N+](=O)[O-],NA
-O=NN(C(=O)c1c(NC)ncn1C)C,TP
-C[Si](O)(C)C,NA
-[O-][N+](=O)c1ccc(c(c1)O)[N+](=O)[O-],TP
-COc1cc(ccc1N)c1ccc(c(c1)OC)N,TP
-CCOc1ccc(cc1N)N,TP
-[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],TP
-O=C1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,NA
+CN(CCOC(c1ccccc1)c1ccccc1)C,TN
+OCCOCCOCCO,FN
+Clc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O,FP
+Nc1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,TP
+C[n+]1c2ccccc2c(c2c1cccc2)N,TP
+ClCC(=O)O[C@H](P(=O)(OC)OC)C(Cl)(Cl)Cl,TN
+OC(=O)c1ccccc1C(=O)O,TN
Cn1c(N)nc2c1cc1cnccc1n2,FP
-c1ccc(nc1)c1cccnc1,TP
-CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,NA
-COC(=O)c1ccc(cc1)CN(N=O)C,TN
-O=CCCC(N(C(=O)OCC)N=O)c1cccnc1,NA
-O=C1CCC(N1C)c1cccnc1,TN
-Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O,TN
-OC(=O)CCC(=O)O,TN
-Nc1cc(Cl)c(c(c1)Cl)Cl,TN
-CCNCC#CC(OC(=O)C(c1ccccc1)(C1CCCCC1)O)(C)C,TN
-CN1CCN(CC1)C,TN
-O/N=C(/c1cc(O)c(c(c1)O)O)\N,TP
-CNC,NA
-Brc1c(C)c(Br)c(c(c1Br)Br)Br,TN
-[O-][N+](=O)c1ccc2-c3c([C@H](c2c1)O)cccc3,TP
-OCCCN=N,NA
-CC=O,NA
-OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,NA
-c1cc2C3OC3c3c2c(c1)c1cc2ccccc2cc1c3,TP
-OCC#C,NA
-[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],TP
-OCCCCN(CCO)N=O,TP
-[O-][N+](=O)c1ccc(o1)/C=N/c1snc2c1cccc2,NA
-OCC(Cc1ccccc1)CN=N#N,NA
-Brc1ccc2c(c1)C=CC1C2CCCC1,TN
-Cc1nsc(c1)N,NA
-CON(C(=O)Nc1ccc(c(c1)Cl)Cl)C,FN
-OC(CN=N#N)Cn1ccc(=O)[nH]c1=O,TP
-O=NN(c1ccccc1)c1ccccc1,NA
-S=C1SSC2=NCCN12,NA
-COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1,NA
-Cc1ccc(cc1)CC1OC1,TP
-O=C1CCCCCN1,TN
-Nc1nc2c(n1C)ccc1c2cccn1,TP
-CN(N=O)C[C@H](O)C,TP
-Oc1cc2cccc3c2c2c1ccc(c2cc3)[N+](=O)[O-],TP
-C1=COc2c(C=C1)c1ccccc1c1c2cc2ccccc2c1,TP
-OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,TN
-CC(=O)Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)NC(=O)C,TP
-ClCCOC/C(=C\Cl)/Cl,NA
-O=Cc1cccc(c1)c1ccccc1,TN
-CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,FP
-COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC,NA
-COC(=O)CC(=O)OC,NA
-Clc1ccc(c(c1)N)O,FN
-Nc1sc2c(n1)cc(c(c2)C)C,NA
-SCC(C(=O)O)NC(=O)C(S)(C)C,TN
-c1ccc2c(c1)ccc1c2ccc2c1c1ccccc1cc2,TP
-Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
-Cc1nc2c(nc1C)ccc1c2nc(n1C)N,TP
-[O-][N+](=O)c1ccccc1N,FP
-c1ccc[nH]1,TN
-FC(I)(F)F,NA
-Cc1nc2c(nc1C)ccc(c2C)N,TP
-COC1=CC(=O)C(=O)C(=C1)C(C)(C)C,NA
-[O-][N+](=O)c1cc(N)c(c(c1)N)C,TP
-O[C@H]1C[C@@H](O)[C@]2([C@H](C1)[C@@H](C)C[C@@H]1[C@H](C2)[C@@H](C)C(=O)O1)C,NA
-N#Cc1cc(c2ccncc2)c(nc1O)C,TN
-[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,TP
-OCc1ccc(cc1)NNC(=O)C,FN
-Clc1c(Cl)c(Cl)c(c2c1c(Cl)c(c(c2Cl)Cl)Cl)Cl,TN
-CC(=O)OC1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,TP
-Cc1cc(ccc1N=Nc1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)N=Nc1c(N)c(C)cc(c1N)S(=O)(=O)O,TP
-NNc1ccc(cc1)[N+](=O)[O-],TP
-CC[C@H]([C@@H](CO)C)C,TN
-[O-][n+]1ncc2c(c1)cccn2,TN
-Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,TP
-[O-][n+]1cccc2c1C=CC1C2O1,TN
-Cl/C=C\Cl,NA
-CC(=O)Nc1cccc(c1)O,FP
-O=C1CCC(N1)C(=O)NC(C(=O)N1CCCC1C(=O)N)Cc1nc[nH]c1,TN
-Oc1ccc(cc1)/C=N/c1snc2c1cccc2,TP
-O=Nc1ccc(cc1)C(=O)C,TP
-OCc1cc2CC[C@H](Nc2cc1[N+](=O)[O-])CNC(C)C,NA
-OOC(c1ccccc1)(C)C,TP
-Nc1ccc(c2c1C(=O)c1c(C2=O)cccc1[N+](=O)[O-])N,TP
-OC(=O)CN(CC(=O)O)CC(=O)O,TN
-COC1=C(OC)C(=O)C(=C(C1=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)C,NA
-C[C@@H](c1ccccc1)CCc1ccccc1,NA
-Nc1cc2nc3c(nc2cc1C)ccc(c3N)C,TP
-CS(=O)C,NA
-CNC(=O)c1ccccc1,NA
-O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
-COCCOC,FN
-Oc1cccc2c1ccc1c2c2c([nH]1)ccc1c2cccc1,TP
-COP(=O)(O)O,TN
-CCCCOC(=O)C,TN
-ClC1=C(Cl)C(=C(C1(Cl)C1(Cl)C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl,NA
+OC1C=Cc2c(C1O)ccc1c2nccc1,TP
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,NA
+COCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
+C1CCC2C(C1)c1ccccc1C=C2,TP
+CC(c1cc(N)c(cc1N)[N+](=O)[O-])C,FN
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1N)[N+](=O)[O-],TP
+CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,TN
+[O-][N+](=O)c1cnc(n1C)C(c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O,TN
+COc1cc(O)ccc1Nc1c2ccccc2nc2c1cccc2,TP
+c1ccc2c(c1)c1sc3c(c1cc2)cccc3,TP
+NNc1scc(n1)c1ccc(cc1)N,TP
+COCCOC(=O)C,TP
+O[C@@H]1[C@@H]2C[C@@]34[C@@H]5[C@H]1[C@@]1(C(=C2O)C(=O)c2c(C1=O)c(O)c(cc2O)C)C[C@@H]([C@H]5O)C(=C3C(=O)c1c(C4=O)c(O)c(cc1O)C)O,TN
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,TP
-OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,TN
-ClCc1ccc(cc1)OC,FP
-ClC(C(=O)C(Cl)Cl)Cl,TP
-O=C1Cc2cc3cc(ccc3cc2C(C1O)O)[N+](=O)[O-],FP
-CC[C@H]1CO1,TP
-Cc1nc2c(nc1C)c(C)c(c1c2nc(n1C)N)C,TP
-C=CN=Nc1ccccc1,NA
-CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,FP
-CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,FP
-Oc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
-O=C(NC(C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,TN
-Oc1ccc(c(c1)O)O,FN
-CNC=O,NA
-Fc1cccc2c1ccc1c2nccc1,TP
-OCC1OC(CC1O)n1cc(O)c(nc1=O)N,TN
-O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],TP
-CC(C(=O)NCc1ccccc1)NCc1ccccc1,NA
-O=C(C(C)(C)C)C1C(=O)c2c(C1=O)cccc2,NA
-[O-][N+](=O)c1ccc(c(c1)C)C,TP
-Cc1ccc2c(c1O)NC(O)C1N(C2=O)C=C(C1)/C=C/C(=O)N,NA
-COC(=C1C(=NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C)C)O,TN
-N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)NS(=O)(=O)C)ccc(c1)N=N#N,TP
-O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],TP
-Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,TP
-C1CCc2c(C1)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,TP
-OC(=O)C1OC(O/N=C(/c2ccccc2)\N)C(C(C1O)O)O,NA
-CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,NA
-O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
-Clc1ccc(c(c1)C(=O)O)Cl,TN
-CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,TN
-[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4ccc3,TP
-ClCc1ccc(cc1)OC(=O)C,FN
-Oc1[nH]cnc2-c1cnn2,NA
-Nc1ccccc1O,TP
-O=NN1CCSCC1,NA
-CC1(CO1)C=C,TN
-CNC1Cc2cccc3c2c(C1)ccc3,TP
-Nc1ccc2c(c1)cc1c([n+]2C)cccc1,TP
-Oc1cc2ccccc2c2c1c1ccccc1cc2,FP
-C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,TP
-Nc1ncnc2c1ncn2Cc1ccccc1,TP
-Nc1ccc(cc1)Cc1ccc(c(c1)Cc1ccc(cc1)N)N,TP
-CC(CON=O)C,NA
-ClCCN(c1cc(ccc1C)C(P(=O)(O)O)(P(=O)(O)O)O)CCCl,NA
-CCOC(/C=C(\CCC=C(C)C)/C)OCC,TN
-CCCc1ccc2c(c1)OCO2,TN
-OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O,TN
-CC[N+](=c1ccc2-c(c1)oc1c(n2)c2ccccc2c(c1)N)CC,TP
-Nc1ccc(c2c1cccc2)N,TP
-Cl/C=C(/C(Cl)Cl)\Cl,TP
-CCOC(=O)C(Oc1ccc(cc1)Cl)(C)C,TN
-ClCCN(C(=O)NC(C(C(C(CO)O)O)O)C=O)N=O,TP
+CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,TN
+CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,TN
+Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)[nH]c1=O,TP
+Oc1cc2OC(Cc2c2c1c(=O)c1c(n2C)cccc1)C1(C)CO1,TP
+COP(=O)([C@@H](C(Cl)(Cl)Cl)O)OC,FN
+CC(C(O)C)O,TN
+CCCC[C@H](COC(=O)c1ccccc1C(=O)O)CC,TN
+Cc1cc(C)nc(n1)N,TN
Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1O)O,TP
-Oc1cccc(c1)O,TN
-CC(=O)OCc1c2ccccc2cc2c1ccc1c2cccc1,TP
-Cc1cc(cc(c1N)C)c1cc(C)c(c(c1)C)N,FP
-O=Cc1ccc2-c1cc(ccc2C)C(=C)C,TP
-COc1ccc2c(c1)c1oc(=O)ccc1c(c2)[N+](=O)[O-],NA
-OC1C=C2CC=C3C(C2(CC1O)C)CC(C1(C3CC=C1C(=O)C)C)O,NA
-OC(=O)c1c(Cl)cccc1Cl,TN
-O=C(NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C)CCC(C(=O)O)N,FP
-CC(=O)Nc1ccc(cc1)C(=O)O,TN
-[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],FP
-[O-][N+](=O)/C=C/c1ccco1,NA
-COC1=CC(=O)C=CC1=O,NA
-O=C(c1ccc(cc1)[N+](=O)[O-])OC[C@@H]1OC1,TP
-CN(c1ccc(cc1)N=Nc1ccccc1)OC(=O)C,TP
-C/C=C/c1ccc(cc1OC)OC,TN
-BrCC1=C(Cl)C(=O)OC1,TP
-[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,TP
-ClCCN([P@]1(=O)OCC[C@H](N1)O)CCCl,TP
-N#CC1(O)CCCCC1,NA
-ONC(=O)c1ccc(c(c1)O)O,TP
-CC(CC1NC(=O)CNC1=O)C,TN
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-[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,FN
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-C[C@H](COC(C)(C)C)O,FN
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-O=NN1CCCCCCC1,TP
-Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)O,NA
-O=C1NC(=O)NC(=O)C1(O)O,NA
-OC(=O)C(c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,FP
-CC[C@H]([N+](=O)[O-])CO,TN
-ClCCNc1ccc(cc1)CCCC(=O)O,TP
-Cc1ccc(cc1)Cl,TN
-OC(COc1cccc2c1c(=O)cc(o2)C(=O)O)COc1cccc2c1c(=O)cc(o2)C(=O)O,NA
-Fc1cc2cccnc2c2c1cccn2,TP
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-OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,TN
-OC(=O)CCCc1c[nH]c2c1cccc2,TN
-C1C=Cc2c(C1)ccc1c2cc2c(n1)ccc1c2cccc1,TP
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-[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,FP
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-O=C1C=Cc2c(C31OC3(C)C(=O)C)cccc2,NA
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-[O-][N+](=O)c1ccc2-c3c4c(-c2c1)nc1ccccc1c4c1c(n3)cccc1,TP
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+CCCCCCCCC,TN
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COc1cc2C(=O)c3cc(C)cc(c3C(=O)c2c(c1O)O)O,TP
-C=Cc1cccnc1,NA
-O=C(Cc1ccccc1)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,TN
-Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O,TN
-OCCSN=O,NA
-O=NN1CCNC1=O,TP
-CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,TN
-C/C=C/Cl,NA
-Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,TP
-[O-][N+](=O)c1ccc(cc1)OC[C@@H]1OC1,TP
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-[O-][N+](=O)c1cc(ccc1Nc1ccccc1O)[N+](=O)[O-],FN
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-O=C(c1cc(O)c(c(c1)O)OC(=O)c1cc(O)c(c(c1)O)O)OC1OC(COC(=O)c2cc(O)c(c(c2)O)O)C(C(C1OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O)OC(=O)c1cc(O)c(c(c1)O)O,NA
-CCN(N=O)CC,TP
-CC(=O)c1ccc(cc1)[N+](=O)[O-],TP
-COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,NA
-COC12OOC2(C)Oc2c1cccc2,NA
-COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,TN
-O=NN(C(=O)N)C[Si](C)(C)C,NA
-BrCC(CBr)Cl,NA
-Cc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
-CC(OC(=O)C[C@](C(=O)O)(CC(=O)O)O)C,TN
-OC[C@@H]([C@H]1OC(=C(C1=O)O)O)O,NA
-O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,TP
-CN(CNc1nnc(o1)/C=C/c1ccc(o1)[N+](=O)[O-])C,NA
-C1COC1=O,NA
-NC(=O)c1ccccc1O,FP
-CC1CCN(CC1)N=O,TP
-C[Si](c1ccc(cc1)[Si](CCCOCC1OC1)(C)C)(CCCOCC1OC1)C,NA
-CC(OC[C@@H]1OC1)(C)C,NA
-Clc1ccc(c(c1)Cl)C(=O)Cl,TP
-Cc1ccc(c(c1)C)O,FN
-CC(=O)ON(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,TP
-NCCCCCCCCCCC(=O)O,TN
-NCCCl,NA
-[O-][n+]1cccc2c1c(O)ccc2,FP
-CCCCc1ccc(cc1)/N=C\c1ccc(cc1)OC,TP
-Cn1cnc2c1c(=O)[nH]c(=O)n2C,TN
-CC(CC(=O)Nc1ccc(cc1)O)O,TN
-OC(=O)c1ccc(cc1)[N+](=O)[O-],TP
-OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,TN
-O=C1CCCCC1=O,NA
-CCC/C=C/C=O,TP
-[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,TN
-OC(=O)C(CCl)Cl,TN
-C=CC=O,NA
-O=C(c1csc(c1)[N+](=O)[O-])Nc1ccccc1Br,TP
-CCCCCCCCCCCCCCCC(=O)OCC(C1OC(=C(C1=O)O)O)O,NA
-OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,TN
-O=C1OCCN1P(=O)(N1CCOC1=O)Cl,NA
-ClC1=C(Cl)C(=O)OC1,NA
-Clc1cc2Oc3cc(ccc3Oc2cc1Cl)[N+](=O)[O-],TP
-NC(C(=O)O)CSC(C(C(F)F)(F)F)(F)F,TN
-COP(=O)(O/C(=C\C(=O)O[C@H](c1ccccc1)C)/C)OC,NA
-COC(=O)c1ccco1,NA
-OCc1ccc(cc1)O,TN
-CCCC[C@H](COP(=O)(Oc1ccccc1)Oc1ccccc1)CC,TN
-c1ccc(nc1)c1cccc(n1)c1ccccn1,TP
-Nc1ccc(cc1)/C=C/c1cccc(c1)Cl,TP
-Clc1ccc(cc1)S(=O)(=O)C,NA
-C[n+]1cccc(c1)OC(=O)N(C)C,TN
-CC(C(Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,TN
-c1ccc2c(c1)c1c(cn2)cnc2c1cccc2,FP
-C=CC#N,NA
-COC(=O)Nc1nc2c([nH]1)ccc(c2)O,TN
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NO,TP
-CCN(c1ccc(cc1)N=Nc1ccccc1)CC,TN
-CCOCCOC(=O)/C=C\c1ccc(cc1)OC,TN
-Nc1nc2c([nH]1)cccc2,FP
-OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N,TN
-O=C(OC(C)(C)C)CN=N#N,NA
-[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cccc1,TP
-[O-][N+](=O)c1cccc(c1N)N,TP
-CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,TP
-OC[C@@H]1CO[C@H](O1)[C@@H](I)C,NA
-Cc1cc([N+](=O)[O-])c(c2c1[nH]c1c2cccc1)C,TP
-O=C1C2OC2C2c3c1c(O)ccc3C1c3c2ccc(c3C(=O)C2C1O2)O,NA
-CCCCCCOC(=O)C(=C)C,TN
-CS(=O)(=O)OCCc1ccc(cc1)OCc1ccccc1,NA
-O=CC1C(=CCC2C1(C)CCCC2(C)C)C=O,TN
-Nc1ccc(cc1)Br,FP
-[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,FN
-Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,TN
-Nc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
-CCCCON(C(=O)c1ccc(cc1)[N+](=O)[O-])OC(=O)C,TP
-NC(C(=O)O)CSc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,NA
-Cc1ccccn1,FP
-Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
+Cc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)ccc1O,TP
+OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O,TN
+O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O,TN
-Cn1c(N)nc2c1cc(cn2)c1ccccc1,TP
-Cc1ccc2c(c1)nc1c(c2)ccc2c1cccc2,TP
-CNCCCC(=O)O,NA
-O=C/C=C\c1ccccc1,FN
-ClC(Cl)(Cl)Cl,NA
-OC/C=C/c1ccccc1,NA
-O=C1CCCO1,TN
-Cc1ccc2c(c1C)c1ccccc1cc2,FP
-OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,TN
-Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,TP
-[O-][N+](=O)NC,NA
-CC(=CCC1CCCC1=O)C,NA
-Fc1ccc2c(c1F)cccn2,TP
-Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O,NA
-CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,TN
-Cc1c(C)c2ccccc2c2c1c(N)c1ccccc1n2,TP
-O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,TN
-ClCCSCc1ccccc1,NA
-ONc1cc(C)cc(c1)C,TP
-Fc1cnc2c(c1)c(N)ccc2,FN
-ClCCN(c1ccc(cc1)CCCNc1c2ccccc2nc2c1cccc2)CC,TP
-C1CNCCO1,NA
-Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,TN
-O=Nc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
-S=C=Nc1cccc2c1cccc2,NA
-CNC(=O)Oc1cc2ccccc2c2c1cccc2,TP
-Oc1cc2C[C@@]3([C@@H](c2cc1O)c1ccc(c(c1OC3)O)O)O,NA
-c1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,TP
-Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,TN
-OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,TN
-O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,TN
-OCC1OC(OC23C=C(C)C4(C(C3C(=O)C(C2)(C)C)(C)O)CC4)C(C(C1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,TP
-CO/C(=C\C(=O)O)/C(=O)C(=C)C,NA
-CO/C(=C\C(=O)O)/C(=O)C(=C)C,NA
-O=C1CCc2c1c1c(cc2)ccc2c1cccc2,FP
-CCCCOCCCC,TN
-CCNC(=N)N([N+](=O)[O-])N=O,NA
-CNc1ccc2c(c1C)nc(cn2)c1ccccc1,TP
-CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,TN
-Cn1cnc2c1c(=O)n(C)c(=O)n2C,TN
-CN1CCc2c3C1C(O)c1ccccc1-c3c1c(c2)OCO1,TP
-CC(=C)C,NA
-O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,TP
-O=Cc1ccc(cc1)Cl,TN
+Cc1ccc(cc1)S(=O)(=O)O.CCOC[C@H](COc1ccc(cc1)NC(=O)CC[S+](C)C)O,TN
+ClCCN(c1ccc(cc1)CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@@H](CCCC(C)C)C)C)C1)C)CCCl,TN
+CS(=O)(=O)OCCCNCCCOS(=O)(=O)C,TP
+CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,TN
+O=C1c2ccccc2-c2c1ccc1c2c2ccccc2cc1,FP
+C1CCC(CC1)N1C2C1c1ccccc1-c1c2cccc1,TP
+[O-][N+](=O)c1cc2ccccc2c2c1c(ccc2)[N+](=O)[O-],TP
+OCCNC(=O)c1c(I)c(C(=O)NCC(CO)O)c(c(c1I)N(C(=O)C)CC(CO)O)I,TN
+BrCC(=O)c1ccc(cc1)Br,TN
+CCCCCCN(C(=O)N)N=O,TP
+CCOCC,TN
CCCC(=O)OCc1ccc(cc1)[N+](=O)[O-],FN
-O=C(C(Br)C)NC(C)(C)C,NA
-OC1CCC2(C(=CCC3C2CCC2(C3CC3C2C(C)C2N3CC(CC2)C)C)C1)C,TN
-Oc1cccc2c1ccc1c2c2c([nH]1)cc(c1c2cccc1)[N+](=O)[O-],TP
-OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,TP
-Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,TP
-Oc1c2-c3ccccc3-c3c2c2c4c1cccc4ccc2cc3,FP
-NNC(=O)c1[nH]c2c(c1N)cccc2,TP
-CCN(CCNc1ccc2c3c1c(=O)c1cc(O)ccc1n3cn2)CC,TP
-C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,NA
-CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,TP
-CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,TN
-CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC,TN
-CCOP(=S)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCC,NA
-Clc1cc(Cl)c(cc1Cl)Cl,TN
-Nc1ccc2c(c1)[nH]c1c2cccc1,TP
-N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,TN
-[O-][N+](=O)c1ccc2c(c1)ccc1c2cc2ccc3c(c2c1)cccc3,TP
-CC(=C)C1CO1,NA
-CCn1cc(C(=O)O)c(=O)c2c1nc(N1CCNCC1)c(c2)F,TP
-O=C1c2ccccc2-c2c1c1ccccc1cc2,TN
-C[C@]12CC[C@H](CC1)C(O2)(C)C,NA
-CCN(C(=S)SSC(=S)N(CC)CC)CC,NA
-CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F,TP
-BrCC(=O)c1oc(c(c1Cl)Cl)[N+](=O)[O-],TP
-Oc1cc(C)c2c(c1)oc(=O)c1c2cc(O)cc1O,TN
+Fc1cccc2c1cccn2,TP
+O=C/C=C/c1ccc(cc1)N(C)C,TN
+ClCC(=O)Nc1snc2c1ccc(c2)Cl,TP
+[O-][N+](=O)c1cc(C)c2c(c1)cccc2,TP
+CCOC(=O)CC(=O)C,TN
+N1C2C1c1cscc1-c1c2csc1,TP
+CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,TN
+c1cc2[C@@H]3O[C@@H]3c3c2c(c1)c1cc2ccccc2cc1c3,TP
+COc1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,TP
+CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,TN
+O=Cc1ccc(cc1)[N+](=O)[O-],TP
+COc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,TN
+CCCCN(COC(=O)C)N=O,TP
+CCC(=O)N(c1ccc2c(c1)cccc2)O,TP
+OC(=O)O.N.N,TN
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CN(c1[nH]cnc2-c1ncn2)C,TP
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-O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CCCCCC1,NA
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+CCCC[C@H](COP(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,TN
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CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-C1=C[C@H]2[C@@H](C1)[C@@H]1C=C[C@H]2C1,NA
-COCCOCCOCCOC,FN
-OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,TN
-COC(=O)C(CSCCCl)N,NA
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-Nc1ccccc1Cl,FP
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-OC(=O)[C@H]1[C@H]2[C@]3([C@@H]4[C@]51CC(=C)[C@](C5)(O)CC4)C=C[C@@H]([C@@]2(C)C(=O)O3)O,TN
-CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,TN
-Clc1ccc2c(c1)c1ccccc1o2,FN
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-N#CCc1cn(c2c1cccc2)N=O,TP
-CC(CC(=O)C)C,TN
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-ClC(=O)c1ccc(cc1)C(=O)Cl,TP
-CCCCCCCCC(=O)OCC=C,TN
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-OC(=O)c1cccc(c1N)O,TN
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-C[C@H](C[N+](NC(=O)C(=C)C)(C)C)O,NA
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ClCC(OP(=O)(OC(CCl)CCl)OC(CCl)CCl)CCl,TP
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-[O-][N+](=O)C(CC)CCOCN1C=CN(C1/C=N/O)C,TN
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-OC[C@@H](CI)O,NA
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-[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
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-Cc1ccc(c(c1)C)N=Nc1c2ccc(cc2cc(c1O)S(=O)(=O)O)S(=O)(=O)O,TP
-OOCc1cn(C2CC(C(O2)CO)O)c(=O)[nH]c1=O,FN
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-[O-][N+](=O)c1cccc(c1O)N,FP
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-[O-][N+](=O)c1ccc2c(c1)n(C)c1c2cccc1,TP
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-OCCN(c1ccc(cc1)N=Nc1ccc(nc1)N(CCO)CCO)CCO,FP
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-CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,TN
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-O[C@@H](COc1cccc2c1cccc2)CNC(C)C,TN
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-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCCC,TP
-BrCc1ccc(cc1)CBr,FP
-O=CNc1ccc(cc1)Oc1ccc(cc1Cl)Cl,TP
-OCC(=O)[C@@]1(O)[C@H](C)CC2[C@]1(C)C[C@H](O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F,TN
-Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(O)nc2c1cccc2,NA
-Clc1nncc2c1cncc2,TN
-Sc1ccccc1,NA
-Clc1cccnc1,TN
-Clc1ccc(cc1)SCc1ccc(cc1)Cl,NA
-C/C(=N/O)/C(=O)C,TN
-BrCBr,NA
-NCCCN(CC)CC,TN
-N#C/C(=C\C(C(C(c1ccc(cc1)F)C#N)c1ccccc1)C)/c1ccc(cc1)F,TN
-COc1c(Cl)c(Cl)c(c(c1Cl)Cl)[N+](=O)[O-],FP
-O=C1C=C(N2CC2)C(=O)c2c1[nH]c(C)c1-c2nc2c1cccc2,TP
-CC(C(CBr)Br)Cl,TP
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1O)[N+](=O)[O-])O,FP
-CN(c1nc(nc(n1)N(C)C)N(C)C)C,NA
-C1CCCCC1,TN
-OCC(C(C(C1SCCN1N=O)O)O)O,TN
-CN(CCO[C@](c1ccccn1)(c1ccccc1)C)C,TN
-c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,TP
-Cc1ccc(cc1)N=NN(C)C,TP
-C=C[C@@](OC(=O)c1ccccc1N)(CCC=C(C)C)C,NA
-Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],TP
-O=NN(Cc1cccc(c1)C#N)C,TP
-c1nccs1,NA
-Cc1cc2cccc3-c4c(-c(c1)c23)cc1ccccc1c4,TP
-Clc1ccncc1,NA
-C[C@H](COC[C@H](O)C)O,TN
-CC(=O)Nc1ccc2-c3c(Cc2c1OC(=O)c1ccccc1)cccc3,TN
-O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,TP
-NC[C@H](N)C,NA
-CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,NA
+C[C@H](C(=O)NCc1ccccc1)Br,TP
+C[C@@H]1C=Cc2c1ccc1c2ccc2c1cccc2,TP
+COc1ccc(cc1)N.Cl,TP
+Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])c1ccccc1,TP
+Clc1ccc(c(c1)Cl)Cn1c(/C=N/OCc2ccccc2[N+](=O)[O-])nc2c1ccc(c2)[N+](=O)[O-],FN
+O=C1C=C(N2CC2)C(=O)c2c1nc(C)c1c2[nH]c2c1cccc2,TP
+Nc1nc2c(n1C)c(C)cc1c2nccn1,TP
+OC(=O)/C=C/c1ccccc1[N+](=O)[O-],FP
+ClCc1c2ccccc2cc2c1cccc2,TP
+Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c(c(c1)O)O,FP
+COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@@]1(O)CC)O[C@@H]1C[C@H](N)[C@H]([C@@H](O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
+O[C@@H]1C=Cc2c([C@H]1O)c1ccc3c(c1cc2)cccc3,TP
+COc1ccc(cc1)CC[C@@H]1OC1,TP
+ONc1cnc2c(c1C)nc1n2cccc1C,TP
+ClC(SN1C(=O)[C@H]2[C@H](C1=O)CC=CC2)(Cl)Cl,TP
+OC(=O)COc1cc(Cl)c(cc1Cl)Cl,TN
+OCCNCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCNCCO,TP
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1O3)c2,TP
+O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](CCC(=O)O)C)C)C,TN
+Cc1ncc(nc1)C,TN
+C/C=C\C=C/C(=O)O,TN
+Cc1cc2cccc3c2c2c1c1ccccc1cc2cc3,TP
+n1ccc2c(c1)cc1c(c2)c2ccccc2cc1,TP
+O[C@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O.[Na+].[Na+],TN
+O=c1cn[nH]c(=O)[nH]1.CCCCCCCC/C=C\CCCCCCCCN,FN
+CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,FP
+CCc1ccc(nc1)C,TN
+Nc1ccc(c(c1)N)C,TP
+C1CCCO1,TN
+O=C1NC(=O)C(N1)(c1ccc(cc1)O)c1ccccc1,TN
+CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,TN
+ClC(c1ccccc1)C(=O)Cl,TP
+Fc1cccc2c1c1cccnc1cc2,TP
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2-c(c1O)ncc2,TP
+BrCCCCCCCC(=O)O,FN
+C/C=C/C=O,TP
+CCCCOC(=O)COc1ccc(cc1Cl)Cl,TN
+CCNc1nc(NC(C)C)nc(n1)O,TN
+CCOC(=O)C(=NNc1ccc(cc1)c1ccc(cc1)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,TN
+OS(=O)(=O)Oc1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TN
+C/C(=C\C(=O)OCC(=O)C1(O)CCC2C1(C)CC(O)C1C2CCC2=CC(=O)C=CC12C)/CC/C=C(/CCC=C(C)C)\C,TN
+CC(OOC(C)(C)C)(C)C,TN
+Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,TN
+c1ccc(cc1)c1ccccc1,FP
+CC(=O)c1ccc2c(c1)CN1C(=N2)c2c(C1=O)cccc2,TP
+O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,FP
+c1cnc2c(c1)c1CCC3C(c1cc2)O3,FP
+CCOC(=O)c1cc2cc3CCCN4c3c(c2oc1=O)CCC4,FP
+COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,TN
+OCc1c(CO)cnc(c1O)C.Cl,NA
+C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,TN
+CNC(=O)O/N=C/C(SC)(C)C,TN
+ClCCNc1ccc(cc1)CCCC(=O)O,TP
+Fc1ccc2c(c1)cccn2,TP
+COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,TN
+O=Nc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
+CCSCSP(=S)(OCC)OCC,TN
+COCCOCCOCCOC,FN
+c1ccc2c(c1)c1ccc3c(c1cc2)nccc3,TP
+Cc1cc2ccccc2c(c1)[N+](=O)[O-],TP
+COc1c2ccccc2[n+](c2c1cco2)[O-],FP
+Nc1ccc(cc1)Nc1ccccc1,TN
+CCC(c1ccc(cc1)O)(C)C,TN
+OC(COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,TN
+CCCCOC(=O)C=C,TN
+CCOCCOC(=O)C,TP
+[O-][N+](=O)c1cc2c(cc1O)[nH]c1c2cccc1,TP
+[O-][N+](=O)c1scc(c1)C(=O)N,TP
+Nc1ccc(cc1)Oc1ccccc1,TP
+Nc1cccc2c1snc2,TP
+Oc1ccc2c(c1N=Nc1ccccc1)cccc2,FN
+n1ccc2c(c1)cc1c(c2)c2ccccc2c2c1cccc2,TP
+CC[N+](=C1C=CC(=C(c2ccccc2S(=O)(=O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,TP
+CN(c1ccc(cc1)/C=C/C(=O)c1ccccc1)C,TN
+O=C(c1ccc(cc1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+[O-][N+](=O)c1c2ccccc2c2c(c1C)c1ccccc1cc2,TP
+[O-][N+](=O)c1ccc(cc1)Cn1cnc2c1ncnc2N,TP
+COc1ccccc1[N+](=O)[O-],TP
+Nc1sc2c(-c3cccnc3CC2(C)C)n1,TP
+[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],TP
+CC[C@H](COC(=O)/C=C/c1ccc(cc1)/N=C/c1ccc(cc1)OC)C,FN
+COc1ccc(cc1)[N+](=O)[O-],TP
+CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,TN
+CC(=O)OCC12OOC2(C)c2c(O1)cccc2,TP
+c1ccc2c(c1)cc1c(c2)c2Oc2c2c1cccc2,TP
+OC(=O)C(CC(=O)O)(CC(=O)O)O.[Na+].[Na+].[Na+],TN
+Nc1cccc2c1cccn2,TP
+O=[S@@]1OC[C@H]2[C@H](CO1)[C@]1(C([C@]2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,TN
+Clc1cc(Cl)c2c(c1)c(N)sn2,TP
+[O-][N+](=O)c1c(cc2c3c1-c1ccccc1-c3ccc2)[N+](=O)[O-],TP
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,TN
OC1C=Cc2c(C1O)c(Br)c1c(c2)c2ccccc2cc1,FP
-OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N,NA
-Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,FP
-OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCN(CCCNC(=N)CC2CCC(CC2)Cl)C)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(C(=O)N)CNCC(C(=O)N)N)c2c[nH]cn2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,TP
-CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,FP
-Fc1cccc2c1cccn2,TP
+Oc1c2ccccc2nc2c1cco2,FP
+[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
+OC1C=Cc2c(C1O)c1cccnc1cc2,FP
+CC(C(=O)NCc1ccc(cc1)Cl)Br,TP
+COc1cccc2c1C1(C)OOC1(O2)C,TP
+COc1cc(OC)c2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O,FP
+N/N=c/1\sc2c(n1C)cccc2.Cl,FN
+[O-][N+](=Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,FN
+Br[C@H](C(C)(C)C)C(=O)Nc1ccccc1,TN
+CC(=O)N(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,TP
+Cc1ccc2c(c1Nc1ccccc1)C(=O)c1c(C2=O)cccc1,TP
+OC(C1CO1)CO,FN
+c1ccc2c(c1)c1cc3ccc4c(c3cc1cc2)cncc4,TP
+ClCC(=O)Nc1c(CC)cccc1CC,FN
+OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O,TN
+Cc1ccc2c(c1)cc(cc2)[N+](=O)[O-],TP
+Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SSc1ccccc1[N+](=O)[O-],TP
+COC(=O)C(N(c1c(C)cccc1C(=O)O)C(=O)CC(=O)O)C,TN
+CCNc1ccccc1,FP
+Fc1cnc2c(c1)cc(c1c2cccc1)F,TN
+Fc1ccc(c(c1)F)N,TP
+OC(=O)CCC(=O)O.[Na+],TN
+OC(COc1ccc(cc1)NC(=O)C)CNC(C)C,TN
+COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,TN
+OC(=O)CCCC(=O)O,TN
+[O-][N+](=O)c1ccc2-c3c(C(=O)c2c1)cccc3,TP
+OC(COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CNC(C)(C)C,TN
+OCc1cccc2-c3c4c(-c12)cccc4ccc3,FP
+O=Nc1cc(ccc1C)[N+](=O)[O-],TP
+O1CCOC2CCCCC2OCCOCCOC2C(OCC1)CCCC2,TN
+Cc1ccc(cc1)S(=O)(=O)OCC1OC1,TP
+SCCC(=O)N1[C@@H](CS[C@H]1c1ccccc1O)C(=O)O,TN
+Oc1ccc2c(c1)oc(=O)cc2C,TN
+CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,FN
+Clc1cc(Cc2cc(O)c(c(c2)Cl)N)cc(c1N)OS(=O)(=O)O,FP
+CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C,TN
+ClCc1ccc(cc1)Br,TN
+ClC(/C(=C(/C(=O)O)\Cl)/C(=O)O)Cl,TP
+CCOc1ccc(cc1N)N,TP
+ClCC1(C(Cl)Cl)C2CC(C1(CC2(Cl)Cl)C(Cl)Cl)(Cl)Cl,TN
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N,TN
+CCN(c1ccc(cc1)N=Nc1ccccc1)CC,TN
+OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,TP
+OCC1OC(C(C1O)O)n1cnc2c1nc(O)nc2N,TN
+BrCc1ccccc1,FN
+CC(=O)Nc1cccc(c1)O,FP
+Cc1nc(Nc2ccccc2)nc(c1)C1CC1,TN
+C=CCCC1CO1,FN
Clc1ccc(c(c1)N)C,FP
-O1CCOCCOCCOCCOCCOCCOCC1,TN
-OC(COc1ccccc1C1CCCC1)CNC(C)(C)C,FN
-S1CC1,NA
-C1OC(=O)C=C1,NA
-O=NN(C1OCC(C(C1O)O)O)CCc1c[nH]c2c1cccc2,NA
-NNC(=O)CN(c1ccc2c(c1)cccc2)C,FP
-COc1nsc2c1ccc(c2)[N+](=O)[O-],TP
-CC/C(=C(\c1ccc(cc1)OP(=O)(O)O)/c1ccc(cc1)OCCN(C)C)/c1ccc(cc1)C(C)C,TN
-[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,FP
-CCC(=O)C(=O)C,FP
-CCCCC#N,NA
-ON(c1ccc(cc1)Br)C(=O)C,TN
-ONc1c(C)cccc1C,TP
-Cc1cc(O)c(c(=O)o1)C(=O)C,TN
-c1ccc2-c3c([C@H]4[C@@H](c2c1)O4)ccc1c3cccc1,TP
-CC(C[C@H](Nc1ccc(cc1)Nc1ccccc1)C)C,TN
-BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
-C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,FP
-CC(C1CCC2(CC1)OC2)(C)C,TN
-[O-][N+](=O)c1ccc2c(c1)cccc2C,TP
-COc1cc(cc(c1OC)OC)C1OCC2C1COC2c1cc(OC)c(c(c1)OC)OC,NA
-CCC(COC(=O)c1ccccc1C(=O)O)CCC(O)C,TN
-CC1c2ccccc2-c2c1cc(C)c(c2)C,TP
-Cc1c2ccccc2c(c2c1cccc2)C,TP
-OC(=O)Cc1c[nH]c2c1cc(O)cc2,TN
-N#CSCSC#N,NA
-Nc1nc(C)c2c(c1C)[nH]c1c2cccc1,TP
-[O-][N+](=O)c1cccc2c1nc1cccc(c1n2)[N+](=O)[O-],FP
-[N-]=[N+]=NC[C@H](Cn1cnc2c1ncnc2N)O,TP
-COc1ccc(cc1)/C=C/c1ccc(cc1)N,TP
-OC1C(O)C(OC(C1O)C(=O)O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TN
-Oc1ccc2c(c1)c1c(cc2)[nH]c2c1c1ccccc1c(c2)[N+](=O)[O-],TP
-O=C(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1,NA
-O=C1c2ccccc2-c2c3c1nccc3cc1c2OCO1,TP
-BrCC#C,NA
-Cc1ccncc1,NA
-NCCC(N)C,TN
-CCCC(C(=O)O)CCC,TN
-CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,TP
-CCSCCOP(=S)(OC)OC,FP
-CC(COS(=O)(=O)c1ccccc1)C,FN
-N#N=NCCC(c1ccccc1)c1ccccc1,NA
-[O-][N+](=O)c1ccc2c(c1)cccc2,TP
-CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,TP
-CCNC(=S)NCC,FP
-CCCC[C@H](CO)CC,TN
-Oc1ccc(cc1)OP1(Oc2ccc(cc2)O)NP(Oc2ccc(cc2)O)(Oc2ccc(cc2)O)NP(N1)(Oc1ccc(cc1)O)Oc1ccc(cc1)O,NA
-ClCCNC(=O)Sc1[nH]cnc2-c1ncn2,NA
-CCCCCCCCCCCCC=C,TN
-N#CC(=C1C=C(/C=C/c2ccc(cc2)N(C)C)OC(=C1)C)C#N,NA
-O=C(c1[nH]c2c(c1N)cccc2)N/N=C/c1ccccc1,FP
-CCOC1=CC(c2ccccc2)(c2ccccc2)N(c2c1cccc2)O,NA
-CN(CCCNc1c2ccccc2nc2c1c(ccc2C)[N+](=O)[O-])C,TP
-[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,TP
-CCON(C(=O)c1ccccc1)OC(=O)C,TP
-Nc1cccc2c1cc1ccccc1n2,TP
-O=c1oc2cccc3c2c2c1cc1ccccc1c2cc3,TP
-Brc1ccc(cc1)NC(=O)c1cc(Br)cc(c1O)Br,NA
-O=Cc1ccccc1,TN
-CCCCCCCCCCCC=C,TN
-CC(CN(CC(O)C)CCN(CC(O)C)CC(O)C)O,TN
-CC(c1ccc2c(c1)c(=O)c1c(o2)nc(c(c1)C(=O)O)N)C,NA
-CC(=O)OCc1ccccc1,FP
-OCCNc1ccc(cc1)N=Nc1ccc(cc1)NCCO,TP
-COc1ccc(cc1)N=Nc1ccc(cc1)N(C)C,FN
-COC(=O)c1ccccc1C(=O)OC,TN
-BrCc1cccc(c1)CBr,FP
-c1ccc(cc1)[Se][Se]c1ccccc1,NA
-Clc1cccc(c1O)Cl,TN
-Cc1cc2cc3ccccc3cc2c2c1cccc2,TP
-ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,NA
-OC(CO)CN=N#N,TP
-Nc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C,TP
-CCc1ccc2-c3c(-c4c2c1ccc4)cccc3,FP
-O=C1CCc2c1cc(c1c2ccc2c1cccc2)C(F)(F)F,TP
-O=C1NC(=O)[C@@H]2[C@H]1CC=CC2,NA
-CN1CCC[C@@H]1c1cccnc1,NA
-Oc1cc(O)c2c(c1)oc1c(c2=O)cc(cc1)O,TP
-NC(=S)c1c(Cl)cccc1Cl,NA
-CC(=O)N(c1snc2c1cccc2)C,TN
-c1ccc(cc1)/C=N/c1snc2c1cccc2,FP
-c1cc(OCC2CO2)c2c(c1)cns2,TP
-OCNC(=O)NCO,NA
-OC1C(O)C(O)COC1N(c1ccc(cc1)C)N=O,TP
-CN(c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],NA
-CCNCC,TN
-C1O[C@H]1C=O,NA
-COc1cc(ccc1NC(=O)C)NC(=O)C,FP
-CC(c1ccc(cc1)OC[C@@H]1OC1)(c1ccc(cc1)OC[C@@H]1OC1)C,TP
-[O-][N+](=O)c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,TP
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-COC1=CC(=O)C=C/C/1=N\c1c2ccccc2nc2c1cccc2,NA
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-O[C@H](C(=O)c1ccccc1)c1ccccc1,TN
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CC(C(=O)O)Oc1cc(Cl)c(cc1Cl)Cl,TN
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-O=CC=O,NA
-O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,FP
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-O=NN1CCNCC1,NA
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[O-][N+](=O)c1ccc(o1)/C=N/N1CCCNC1=O,TP
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CCOP(=S)(SCCl)OCC,TN
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-OCc1ccc2c(c1)c(C)c1c(n2)c2C=CC(C(c2cc1)O)O,TP
-Oc1ccc2c(c1)cc[nH]2,TN
-COC1=C(CC)C(=O)c2c(C1=O)c(O)c(c(c2O)OC)OC,FP
-CC(=O)NS(=O)(=O)c1ccc(cc1)N,NA
-OCc1cc(ccc1O)C(CN(C(C)(C)C)Cc1ccccc1)O,NA
-O/N=C/C(=O)Nc1ccccc1,NA
-CC(C(=O)NCc1ccccc1)Br,TP
-c1cc2cccc3c2c(c1)c1cccc2c1c3ccc2,TP
-Oc1c2ccccc2nc2c1cccc2,FP
-CC(=O)Nc1ccc(c(c1)N=Nc1cc(ccc1C)NC(=O)C)C,TN
-O[C@H]1Cc2c(C1=O)cc(c1c2ccc2c1cccc2)C,TP
-Nc1ccc(c(c1)[N+](=O)[O-])O,TP
-CC#N,NA
-O=C1C=Cc2c3c1ccc1c3c(cc2)C=CC1=O,TP
-Oc1ccc(c2c1nccc2)S(=O)(=O)O,FN
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-O=C1CCC(=O)N1c1ccc(c(c1Cl)Cl)Cl,TN
-Clc1ccc2-n3cnnc3CN=C(c2c1)c1ccccc1,TN
-Cl/C=C(/SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)\Cl,TP
-CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,TN
-O1CC1Cc1ccccc1,TP
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-C=CCOC(=O)c1ccccc1C(=O)OCC=C,NA
-CCC(=O)Nc1ccc(c(c1)Cl)Cl,NA
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-[O-][N+](=O)c1ccc(cc1)n1cnc2c1ncnc2N,TP
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-O=C(N(C)C)Nc1ccc(c(c1)Cl)C,TN
-O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,TP
-ClC[Si](C=C)(C)C,NA
-c1ccc2c(c1)cc1c3c2[C@@H]2O[C@@H]2c2c3c(cc1)ccc2,TP
-ONc1cccc(c1)C,TP
-CCNc1nc(NCC)nc(n1)Cl,TN
-C1CC2CCc3c(C42C(C1)O4)cccc3,NA
-CNC(=O)Oc1ccccc1,FP
-Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)O,TN
-Fc1c(F)c(F)c(c(c1Cl)F)Cl,TN
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-[O-][N+](=O)c1ccc(cc1)Nc1ncnc2c1ncn2c1ccc(cc1)[N+](=O)[O-],TP
-CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],FP
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-[O-][N+](=O)c1cc(ccc1C(=O)O)[N+](=O)[O-],TP
-C1CCSCS1,NA
-CN(c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N(C)C)c1ccc(cc1)N(C)C)C,NA
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-[O-][N+](=O)c1c(N)ccc2c1[nH]c1c2cccc1,TP
-C(Sc1ccccc1)CSc1ccccc1,NA
-Nc1ccc(cc1)S(=O)(=O)Nc1noc(c1)C,NA
-Oc1c(N=Nc2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,FN
-[O-][N+](=O)c1ccc2c(c1)cn[nH]2,TP
-ClC(=O)OCC1c2ccccc2-c2c1cccc2,NA
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-O=NN(CCCC(c1cccnc1)O)C,NA
-O=C1N(CCN2C(=O)c3c(C2=O)c(Br)c(c(c3Br)Br)Br)C(=O)c2c1c(Br)c(c(c2Br)Br)Br,NA
-OCC1OC(OC23CCC4C(C2)(CC3=C)CCC2C4(C)CCCC2(C)C(=O)O)C(C(C1O)O)O,FN
-O=NN1CCN([C@H](C1)C)N=O,TP
-c1cccnc1,FP
-ClCCBr,NA
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-N#CCc1ccccc1[N+](=O)[O-],TP
-NC(=O)Nc1cc(ccc1O)C(CNC(C)(C)C)O,TN
-OCCC(CCC=C(C)C)C,TN
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-CCOC(=O)C,TN
-CC(CN(C(=N)N[N+](=O)[O-])N=O)C,TP
-OC(=O)Cc1c[nH]c2c1cccc2,TN
-O=C1C=CC(=O)C(=C1)Cl,NA
-ClCc1ccc(cc1)[N+](=O)[O-],TP
-CCC#N,NA
-CC(=O)Nc1nc2c(s1)CCC1C2=CCCN1CC=C,NA
-O1C=CC2C(C=C1)O2,NA
-Nc1nc2c(n1C)ccc1c2nccc1,TP
-COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC,TN
-CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C,NA
-O1OC2c3c(C1c1c2cccc1)cccc3,NA
-ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,TP
-CCC/C=N\O,NA
-COC(=O)c1cc(ccc1N)c1ccc(c(c1)C(=O)OC)N,FN
-CSC(/C=N\O)(C)C,TN
-ClCC(=C)Br,NA
-c1ccc2c(c1)c1cc3C=Cc4c3c(c1cc2)ccc4,TP
-BrC[C@H]([C@@H]1CC[C@H]([C@H](C1)Br)Br)Br,NA
-c1ccc2c(c1)scn2,FP
-COCCOC(=O)c1ccccc1C(=O)OCCOC,FN
-COC1OC1(C)C,TP
-OCC1OC(O)C(C(C1O)OP1(=NP(=NP(=N1)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)(OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)OC1C(O)C(O)OC(C1O)CO)O,NA
-CC(=O)NC(C(=O)O)CS/C(=C(/C(F)(F)F)\F)/F,NA
-CC(OC1OC(=O)C(=C1Cl)Cl)C,TP
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)OC,TP
-CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(O)C,TN
-[O-][N+](=Nc1ccc(c(c1)Cl)Cl)c1ccc(c(c1)Cl)Cl,FP
-O=NN(C[C@]1(O)OC[C@H]([C@H]([C@H]1O)O)O)CC(=O)O,NA
-Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C,NA
-BrCc1cccc(c1)[N+](=O)[O-],FP
-c1ccc2c(c1)cc(cc2)[C@@H]1CO1,TP
-OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],FN
-CCCCCCCCCCSCn1cc[n+](c1)C,FN
-[O-][N+](=O)c1cc2c3cc(nc(c3[nH]c2c(c1)[N+](=O)[O-])C)[N+](=O)[O-],TP
-Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,TP
-Oc1ccc2c(n1)ccc1c2nc(n1C)N,TP
-COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,TN
-CC(Br)(C)C,NA
-CN(CCNC(=O)c1cccc2c1nc([nH]2)c1ccccc1)C,TP
-CC(=O)C1(C)OC21C=Cc1c(C2=O)cccc1,NA
-COc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
-OC(=O)CCC(C1CCC2C1(C)CCC1C2CCc2c1ccc(c2)O)C,TN
-NCCCN(C)C,TN
-CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,TP
-OC(=O)C1OC(Oc2ccc3c4c2ccc2c4c(cc3)cc3c2cccc3)C(C(C1O)O)O,TN
-CCN(c1ccc2c(c1)oc(=O)c(c2)c1nc2c(n1C)cccc2)CC,NA
-COc1cc(cc(c1OC)OC)C(=O)OCCCN1CCCN(CC1)CCCOC(=O)c1cc(OC)c(c(c1)OC)OC,NA
-O=C(OC(C)(C)C)OC(=O)OC(C)(C)C,NA
-O=CNc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
-COc1cc(O)c2c(c1)c1c(C)cc(cc1oc2=O)O,FP
-CC(=O)C1C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,NA
-CCOC(=O)c1cccc2c1nccc2,TN
-CCN(c1ccc(cc1)N=O)CC,FN
-OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],TP
-[O-][N+](=O)c1ccccc1[N+](=O)[O-],TP
-CCCC[C@H](COC(=O)CCCCC(=O)O)CC,TN
-C=CN1CCCC1=O,NA
-O=c1ccoc(c1O)C,NA
-Nc1ccc2c(n1)cccc2,TP
-C=CCc1ccc2c(c1)OCO2,TN
-O1CCOCC1,TN
-Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,TP
-OC(=O)C(Oc1ccc(cc1Cl)Cl)C,TN
-CC(=O)OCN(N=O)CCCl,TP
-COC(=O)CC1OC(=O)c2c(C1)cc1c(c2O)c(O)c(c(c1)OC)c1c(OC)cc2c(c1O)c(O)c1c(c2)CC(OC1=O)CC(=O)OC,NA
-Cc1ccc2c(c1)cc1c(n2)c2ccccc2cc1,TP
-Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,TP
-CCCC1(O)CCC2C1(C)CCC1C2CCC2C1(C)C(C)CC(=O)C2,NA
-CCOS(=O)(=O)c1ccc(cc1)C,TP
-CC(=O)OC(=O)C,NA
-Oc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
-OCC1OC(CC1O)n1cc(CC)c(=O)[nH]c1=O,TN
-O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,TN
-COc1cc2c3CCC(=O)c3cc(c2c2c1cccc2)C,TP
-Oc1ccc2c(c1)OCO2,TN
-c1ccc2c(c1)nccc2,TP
-NC(=O)c1cc(N2CC2)c(cc1[N+](=O)[O-])[N+](=O)[O-],NA
-CC(=C)C(=O)OC[C@@H](CBr)Br,FN
-CC/C=C/[C@H](C=O)CC,NA
-ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,FP
-C1CCC(CC1)NC1CCCCC1,NA
-CC(=O)Nc1cc(O)c2c3c1ccc1c3c(cc2)ccc1,TP
-NNc1ccc(cc1)C(=O)O,TN
-CCOP(=O)(N1C2C1c1ccccc1-c1c2cccc1)OCC,TP
-CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
-OC(COc1ccc(cc1)CC(=O)N)CNC(C)C,TN
-N#Cc1cccc(c1)C,TN
-CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,TN
-COC(=O)CCl,NA
-Clc1cccc(c1)C(=O)O,TN
-Clc1ccc(cc1)Cl,TN
-OCc1cc2c([nH]1)c1ncccc1cc2,FP
-CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,TP
-[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,FP
-O=Cc1ccc(cc1Cl)Cl,TN
-Oc1ccc2-c3c4c(-c2c1)cc1ccccc1c4cc1c3cccc1,TP
-ClC(=O)c1ccccc1Cl,TP
-ClCCCN(COC(=O)C)N=O,TP
-COc1cc(O)c2c(c1OC)oc1c(c2=O)c(OC)cc2c1[C@@H]1C=CO[C@H]1O2,TP
-COc1c(OC)ccc2c1cc1N(C)C(=O)C(=O)c3c1c2c1OCOc1c3,NA
-CC(c1ccc(cc1)OP(=O)(Oc1ccccc1)Oc1ccccc1)(C)C,TN
-BrC[C@H](Br)C,TP
-Nc1cc2nc3ccccc3nc2cc1O,TP
-Cc1cccc2c1cc1c(c2)ccc2c1cccc2,TP
-BrCCC(CCBr)(CO)CO,NA
-OC(=O)C(Cl)(Cl)Cl,NA
-OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
-O=C(c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-],FP
-Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TP
-CCCCCCCCCC[C@@H]1OC1,TN
-ClC1OC1CBr,TP
-Cc1ccc2c(c1C)cccc2,FP
-Nc1ccc(cc1C)c1ccc(c(c1)C)N,TP
-CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,NA
-[O-][N+](=O)c1ccc2c(-c3ccccc3C2)c1,TP
-ClCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CCl)O)(C)C)O,TN
-O=C1CCc2c1ccc1c2ccc2c1cccc2,TP
-c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,TP
-O=Nc1ncn(c1c1ccccc1)C,TP
-OC1C(=C)C2(CC31CCC1C(C3CC2)(C)CCCC1(C)C(=O)O)O,TN
-O=CC1=CCC(CC1)C(=C)C,TN
-Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,TN
-OCCCO/C=C/C=C/C=C/C=C/C=C/CC,TP
-CC(Nc1snc2c1cccc2)C,TN
-COc1ccc(cc1)CC1OC1,TP
-NNc1nncc2c1nccc2,TP
-CCN(c1cccc(c1)O)CC,TP
-OCNC(=O)C=C,NA
-COc1cc2nc3cc(N)c(cc3nc2cc1N)OC,TP
+Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,TP
+OCCOCC,TN
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,TP
+CCCC[C@H](COC(=O)CCCCC(=O)OC[C@@H](CCCC)CC)CC,TN
+Nc1ccc2c(c1)ccc1c2cccc1,TP
+OC1C2OC2c2c(C1O)c1cccnc1cc2,FP
+CCOC(=O)C[C@H](C(=O)OCC)SP(=O)(OC)OC,TN
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+ONc1cc(C)cc(c1)C,TP
+CC(CC(=O)Nc1snc2c1cccc2)C,TN
+OCCN1CCNCC1,FP
+CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O,TN
+Nc1cc(Cl)c(c(c1)Cl)Cl,TN
+c1cc2C=Cc3c2c(c1)cc1c3ccc2c1C=C[C@@H]1[C@H]2O1,TP
+Clc1nncc2c1ccnc2,TN
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+CC/C=C/CC/C=C/C=O,FP
+c1ccc2c(c1)c(OC[C@H]1CO1)ccc2,TP
+Cc1ccccc1S(=O)(=O)N,TN
+CNc1ccc(cc1)N=Nc1ccc(cc1)NC,FP
[O-][N+](=O)c1cnc2c(c1C)nc1n2cccc1C,TP
-[O-][N+](=O)c1cccc(c1O)c1ccccc1,FP
-OCc1ccc(cc1)[N+](=O)[O-],FP
-O=CNc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,TP
-COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,TP
-CCCOC(=O)/C=C/c1ccc(o1)[N+](=O)[O-],TP
-CCCC(=C)C=O,TP
-CC(N)C,NA
-CCCCN([N+](=O)[O-])CCO[N+](=O)[O-],TP
-c1ccc(cc1)c1ccc(cc1)OCC1OC1,TP
-Nc1sc2c(n1)c(C)ccc2,FP
-Cc1cccc(c1)c1nc2c(o1)cccc2,TN
+[O-][N+](=O)c1ccc2c(c1)c1ccccc1o2,TP
+CCCCc1ccc(cc1)/N=C/c1ccc(cc1)OC,TP
+[O-][N+](=O)c1ccc2c(c1)c1cccc(c1cc2[N+](=O)[O-])[N+](=O)[O-],TP
+[O-][N+](=O)c1ccc2c(c1)c(C)ccc2,TP
+CNC(=O)ON(C(=O)NC)C(=O)C,TP
+Cc1ccccc1OC[C@H]1CO1,TP
+CCCCCCCCCCCCCN1CC(C)OC(C1)C,TN
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,TN
+Nc1ccc(c(c1)[N+](=O)[O-])c1ccc(cc1[N+](=O)[O-])N,TP
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])C,TP
+CCOCN(c1c(C)cccc1CC)C(=O)CCl,FP
+O=C(Nc1ccc(cc1)Cl)CCC(=O)O,TN
+ClCCN(CCCNc1c2ccc(cc2nc2c1nc(OC)cc2)Cl)CC.Cl.Cl,TP
+COc1nsc2c1ccc(c2)[N+](=O)[O-],TP
+c1ccc(cc1)NNc1ccccc1,TP
+CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C#N)C[C@@H](C1)C,TP
+O1CCOCC1,TN
+Clc1cc([N+](=O)[O-])c(c(c1Cl)Cl)Cl,FP
+ClCc1cc2cccc3c2c2c1cc1ccccc1c2cc3,TP
+CCCOC(=O)C(=C)C,TN
CCn1c(N)nc2c1ccc1c2nc(cn1)C,TP
-O=c1n(C[C@@H]2OC2)c(=O)n(c(=O)n1C[C@@H]1OC1)C[C@@H]1OC1,NA
-O=c1c2cc3ccccc3c3c2c2c1cccc2cc3,TP
-COC(C1Cc2cc3cc(OC4CC(OC5CC(O)C(C(O5)C)OC)C(C(O4)C)OC(=O)C)c(c(c3c(c2C(=O)C1OC1CC(OC2CC(OC3OC(C)C(C(C3)(C)O)OC(=O)C)C(C(O2)C)O)C(C(O1)C)O)O)O)C)C(=O)C(C(O)C)O,NA
-CCn1c(N)nc2c1ccc1c2cccn1,TP
-FC(OC(C(Cl)F)(F)F)F,NA
-Cl/C=C(/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl)\Cl,NA
-COC(=O)Nc1[nH]c2c(n1)cc(cc2)OS(=O)(=O)c1ccc(cc1)F,TN
-COc1cc(N)cc(c1N)OC,FP
-ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,TN
-CC(Cl)(Cl)C,NA
-CCOC(=O)[C@@H](C[C@](C(=O)O)(C[C@H](C(=O)OCC)C[C@@](C(=O)O)(CC)C)C)C[C@](C(=O)O)(C[C@@H](C(=O)OCC)C)C,NA
-Clc1ccc(cc1Cl)C(Cl)(Cl)Cl,FN
-O=NOC(C)(C)C,NA
-O=Nc1ccc(cc1)O,FN
-NC1=C[C@H]2[C@@H](C(=N1)C)Nc1c2cccc1,NA
-C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C,NA
-CC(=CCC1=C(O)C(=O)c2c(C1=O)cccc2)C,NA
-OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O,TP
-Nc1ccc(cc1)Oc1c(Cl)cc(cc1Cl)Cl,TP
-Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,TP
-CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,TN
-CCNc1cc2oc(=O)cc(c2cc1C)C,TN
-O=NN1CSCC1C(=O)O,NA
-CN(c1ccncc1)C,NA
-Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
-Clc1ccc2-n3nc(nc3CN=C(c2c1)c1ccccc1Cl)C(=O)N(C)C,TN
-OC(=O)CS,NA
-CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,FN
-O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-],TP
-NC(=O)C[C@H]1CO1,NA
-COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O,TP
-O[C@@H](c1ccccc1)C#N,TN
-CC(=O)Nc1ccc2c(n1)cccc2,NA
-OC1=C(C)CCC1=O,NA
-CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,TN
-Clc1cc(Cl)nc(n1)N,NA
-[O-][N+](=O)c1cccc2c1snc2Cl,TP
-CCN(C(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)N(CC)CC)N)CC,NA
-CC(C(=O)NCc1ccccc1)Cl,NA
-OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,NA
-NC1C=CC(=C(c2ccc(c(c2)C)N)c2ccc(cc2)N)C=C1,NA
-OC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)O)N,FP
-C=C[C@H](c1ccc2c(c1)OCO2)OC(=O)C,FN
-[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1cc2)[N+](=O)[O-],TP
-OC(=O)C1=CC2=CCC3C(C2(CC1)C)CCC1(C3CCC1C(=O)NC(C)(C)C)C,TN
-CCn1cc(C(=O)O)c(=O)c2c1c(F)c(c1ccncc1)c(c2)F,FP
-OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,FP
-Clc1ccc(c(c1)O)Cl,TN
-[O-][N+](=O)c1c(nc2n1ccs2)c1ccc(cc1)[N+](=O)[O-],TP
-CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@@H]3[C@@]1(OC(=O)C)C3(C)C)C=C(C[C@@]1([C@H]2C=C(C1=O)C)O)CO,NA
-CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(CCCCCCC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,TN
-OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C3(O4)CCC(CO3)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,TN
-C1CC2OC2CCC2C1O2,TN
-O=Cc1cccc2c1nccc2,TP
-[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N,TP
-OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O,TN
-Clc1cc(Cl)c(c(c1)S(=O)(=O)c1cc(Cl)cc(c1O)Cl)O,NA
-Cc1cn(CC(CN=N#N)O)c(=O)[nH]c1=O,TP
-Nc1ccc(c(c1)C)C,TP
-O=C1CCC2(C(=C1)C(C)CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)C,TN
-OC(=O)c1cc(O)c2c(n1)cccc2,FP
-N#N=NCC(C(C(C(C(=O)O)O)O)O)O,TP
-CCCCN=NC(OO)(C)C,TP
-[O-][n+]1c2ccccc2nc2c1cccc2,NA
-[O-][N+](=O)c1cc([N+](=O)[O-])c2c3c1-c1ccccc1-c3ccc2,TP
-CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,TP
-COC1=C(N)C(=O)c2c(C1=O)ccc(n2)c1nc(C(=O)O)c(c(c1N)c1ccc(c(c1O)OC)OC)C,NA
-CC([C@](C(=O)O)([C@H](O)C)O)C,NA
-OC(=O)C1=NN(C(=O)[C@H]1N=Nc1ccc(cc1)S(=O)(=O)O)c1ccc(cc1)S(=O)(=O)O,TN
-NC(=O)C12OC2C(NC1=O)(O)c1ccccc1,NA
-Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],TP
-CC(=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1O,TP
-c1ccc(cc1)c1ccc(cc1)c1ccccc1,FP
-CCCC[C@H](COS(=O)(=O)O)CC,TN
-c1ccco1,NA
-c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,TP
-OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,FP
-CCOC(=O)N(CCCC(=O)c1cccnc1)N=O,NA
-CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)C)cccc3,TN
-CCCn1cc2c3c1cccc3C1C(C2)N(C)CC(=C1)C,TP
-Oc1cc(O)c2c(c1)oc1c(c2=O)c(O)ccc1O,TP
-BrC(C(=O)O)Br,NA
-OC(=O)c1cc2ccccc2c(c1O)N=Nc1ccc(c(c1)S(=O)(=O)O)C,TN
-NCCN(c1c2ccccc2nc2c1ccc1c2cccc1)CCCl,NA
-C1CCNC(=O)N1N=O,TP
-S=C(Nc1ccccc1)Nc1ccccc1,TN
-CCCC(=O)c1cc(O)c(cc1O)O,NA
-CN(CCNC(=O)c1cccc2c1oc1ccccc1c2=O)C,TP
-CC(CCCC(C1CCC2C1(C)CCC1C2CC=C2C1(C)CCC(C2)OC(=O)C)C)C,TN
-CCCCCCCCCCCCCCCC(=O)OC/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C,FP
-O=C1C=Cc2c(C1=O)ccc1c2c(C)c2c(c1)cccc2,TP
-COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,TP
-O(Cc1cccc2c1cccc2)CC1CO1,TP
-[O-][N+](=O)CCC(=O)O,NA
-[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
-O=c1n(CC2CO2)sc2c1cccc2,FP
-O=CNc1ccc2-c3c(Cc2c1)cccc3,TP
-CN(c1ccc(cc1)C(=C1C=CC(=N)C=C1)c1ccc(cc1)N(C)C)C,TN
-Nc1cc([N+](=O)[O-])c(cc1C)N,TP
-Oc1ccc2c(c1N)cccc2,TN
-COc1cccc2c1ccc1c2c2OCOc2cc1C(=O)O,TP
-OCCN(C(=O)Nc1ccc(c(c1)Cl)Cl)C,TN
-CCn1c(N)nc2c1c(C)cc1c2cccn1,TP
-C[n+]1c2ccccc2cc2c1cccc2N,TP
-ClCCN(c1cccc(c1)/C=C/C(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC(=O)N2)C)C1)C)CCCl,FN
-CN(CCNC(=O)c1ccc2c(n1)c1ncccc1cc2)C,NA
-OS(=O)(=O)c1cccc2c1nccc2,NA
-c1ccc2c(c1)c1cc3c(cc1cc2)ccc1c3cncc1,TP
-NCCCCC(C(=O)O)N,FN
-[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4ccc3,TP
-COc1ccc(cc1)C(=O)C1OC1c1ccccc1,TN
-FC(C(C(Cl)(F)F)(F)F)Cl,TN
-COc1cc2OC3C(c2c2c1c1C(O)CC(=O)c1c(=O)o2)C=CO3,TP
-O=CC1(C)OC21CC1(C)C(C)C(OC(=O)C)C3C(C1=CC2=O)O3,NA
-Cc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)C)c1ccc(cc1C)C,TP
-Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,TP
-CN(N=O)CCCC,TP
-COc1cc(C)cc2c1C(=O)C=C(C2=O)c1c(C)cc2c(c1OC)C(=O)C=CC2=O,TN
-O=Cc1ccco1,NA
-CCN(C(=N)N[N+](=O)[O-])N=O,TP
-Cl/C=C/c1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,NA
-Oc1cc(Cl)c(c(c1)Cl)Cl,TN
-CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,TP
-ON1CN(Cl)CN(C1)Cl,NA
-CCCC[C@H](C=O)CC,TN
-COC(=O)C1=CCCN(C1)N=O,NA
-OCCN(C(=O)Nc1ccccc1)C,TN
-CCSCCSP(=S)(OC)OC,NA
-O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1C,TP
-OC(COc1cccc2c1cc[nH]2)CNC(C)C,TN
-OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2,TP
-CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,TN
-O=C1C=Cc2c3c1cccc3ccc2,TP
-CCCCCCN(C(=O)N)N=O,TP
-CCOC(=O)C(=C)C,TN
-CC1C(C)(C)Nc2c(C1(C)C1C(C)(C)Nc3c(C1(C)C)cccc3)cccc2,NA
-CC(=O)Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],TP
-CNC(=O)Oc1ccc2c(c1)C1(C)CCN(C1N2C)C,TN
-N#Cc1ccc(cc1)[N+](=O)[O-],FP
-CC(Nc1ccccc1)C,TN
-O=C1C(=CC(=O)c2c1nc(C)c1c2[nH]c2c1cccc2)N1CC1,TP
-CC(=O)n1cncc1,NA
-O=C=NC[C@@]1(C)C[C@H](N=C=O)CC(C1)(C)C,NA
-Nc1nc2c(n1C)ccc1c2ccnc1,TP
-O=C/C=C(\CCC=C(C)C)/C,TN
-COc1cc2c(cc1O)CCN[C@@]12CSC2c3c(OC(=O)C)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@@H]2N([C@H]([C@@H]1O)Cc1c2c(O)c(c(c1)C)OC)C)OCO4,NA
-c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,TP
-BrC(C1=C(Br)C(=O)OC1)Br,TP
-CC1(CO1)C(=O)N,NA
-c1ccc(cc1)Nc1ccccc1,FP
-OCc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
-Cc1ccc(cc1N=[N+](c1cc(ccc1C)[N+](=O)[O-])[O-])[N+](=O)[O-],FP
-C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],TP
-CCCC[C@H](COP(=O)(OC[C@@H](CCCC)CC)OC[C@@H](CCCC)CC)CC,TN
-ONc1ccc(cc1)N=O,NA
-O=CNc1ccc(cc1)Oc1ccc(cc1)Cl,TP
-ClCC1=C(Cl)C(=O)OC1O,TP
-[O-][N+](=O)c1c(O)c(Cl)cc(c1Cl)Cl,TN
-[O-][N+](=O)c1c(O)ccc2c1cccc2,FN
-CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])OCC,FP
-Nc1[nH]ccc2-c1c1ccccc1n2,NA
-O=NN(CCCC(=O)c1cccnc1)C,NA
-CCOC(=O)C(C(=O)C)Cl,NA
-O=c1cc(C)c2c(o1)ccc1c2C2(C)OOC2(O1)C,TP
-C1CCC(CC1)N=C=NC1CCCCC1,NA
-CC1CCC2CC1C2(C)C,TN
-[O-][N+](=O)c1cccc2c1ncc1c2c2ccccc2nc1,TP
-CCOc1ccc2c(c1)C(=CC(N2)(C)C)C,FP
-C[n+]1ccsc1N=Nc1c(c2ccccc2)n(c2c1cccc2)C,TP
-CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,TN
-Nc1ccc(cc1Br)c1ccc(c(c1)Br)N,NA
-CC(Cc1ccc(cc1)C(C(=O)O)C)C,TN
-CCc1c2ccccc2c(c2c1c1ccccc1cc2)C,FP
-Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],TP
-CNCC(c1ccc(c(c1)O)O)O,TN
-Cc1cnccn1,TN
-c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,TP
-c1ccc2c(c1)ccc1c2nccc1,TP
-c1ccc(cc1)Nc1ccc2c(c1)cccc2,FP
-OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,TN
-CNC(=O)N(C(=O)C)O,FN
-Oc1ccc2c(c1)CCC1C2CCC2(C1CC(C2O)O)C,TN
-CCC(OC)(C)C,NA
-CC/C=C/C=O,FN
-OCc1ccc(cc1)C,TN
-CCCCON(C(=O)c1ccc(cc1)Cl)OC(=O)C,TP
-CCCCC(COC(=O)c1ccc(cc1)C(=O)O)CC,TN
-CO[C@@H]1C[C@](C)(O)Cc2c1c(O)c1c(c2)C(=O)c2c(C1=O)c(O)cc1c2O[C@@H]2O[C@@]1(C)[C@@H]([C@H]([C@H]2O)N(C)C)O,NA
-CCOc1cc(C=O)ccc1O,TN
-CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,TN
-CN(CCNC(=O)c1cccc2c1nc1ccccc1c2O)C,TP
-O=NN1CC(=O)NC1=O,NA
-Cc1cn2c(s1)nc(c2[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],TP
-OC(=O)CCCCC(=O)O,TN
-C=CCN=C=S,NA
-COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,TN
-COC(=O)CCC(=O)OC,TN
-COc1ccc(cc1)C(=O)/C=C/c1ccccc1,TN
-Clc1ccc2-n3c(CN=C(c2c1)c1ccccc1Cl)nnc3C,TN
-OOC(N=NC)(C)C,FN
+[O-][N+](=O)c1ccccc1C(F)(F)F,TN
+Oc1ccc2c3c1ccc1c3c(c3c2cccc3)c(cc1)[N+](=O)[O-],TP
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,TN
+OC(=O)CCCc1c[nH]c2c1cccc2,TN
+O=C1c2c(ccc(c2[N+](=O)[O-])C)C(=O)c2c1cccc2[N+](=O)[O-],TP
+Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],FP
+c1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)C1C2O1,TP
+Oc1cccc2c1C(=O)c1c(C2=O)cccc1O,TP
+COC1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,TP
+Cc1ccc2c3c1CC(c3c1c(c2)c2ccccc2cc1)OS(=O)(=O)O,TP
+OCC12OOC2(C)c2c(O1)cccc2,FP
+Cc1ccc2c(c1)c1cc(C)ccc1cc2,TP
+COc1c(Cl)ccc(c1C(=O)O)Cl,TN
+C=CCn1cc2c3c1cccc3[C@H]1[C@@H](C2)N(C)CC(=C1)CO,TP
+Clc1ccc(c(c1Cl)O)Cl,TN
+Cc1ccc2c(c1)nn[nH]2,FP
+Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)O,TN
+Cn1cnc2c1c(=O)n(C)c(=O)n2C,TN
O=C(Nc1ccccc1C)CC(=O)C,TN
-CCOC(=O)C1=C(C)N=C(C(=C(OCC2COC3(O2)CCCC3)O)C1c1cccc(c1)Cl)C,NA
-Cc1ccc2c(c1)C1C(C)c3cc(C)ccc3N(C1=N2)C,TP
-CC/C=C/C=C/C=C/C=C/C=C/OCC(c1ccccc1)O,NA
-CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,TN
-CC(c1cc(cc(c1N)C(C)C)c1ccccc1)C,FP
-O=S1(=O)c2cc3ccccc3c3c2c2c1cccc2cc3,NA
-O=Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
-O=CC1=C2CC(CC2(O)C(C2(C1(C=O)C2)C)O)(C)C,TP
-Brc1cccc(c1)[N+](=O)[O-],TP
-Cc1nc(C)cc(c1)c1cc2c(cc1F)n1c(n2C2CC2)cc(=O)n(c1=O)O,TP
-ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)CCCCCCc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,TN
-Cn1c(N)nc2c1cc1ncccc1n2,FP
-COC(=O)C[C@H]1[C@@]2(C)[C@H](OC3C2=C(C)[C@@H](C3)c2cocc2)[C@H]2C3[C@]1(C)C(=O)C=C[C@@]3(C)C(=O)O2,NA
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,TN
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,FN
-OC1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,TP
-COc1ccc(cc1)C(C=C)O,FP
-BrCC(=O)N(Cc1ccccc1)C,FP
-Oc1ccc2c(c1)cccn2,TN
-S=C=S,NA
-CCO[Si](OCC)(OCC)C,NA
-O=CN(c1ccc(cc1)c1ccccc1)O,TP
-OCC1=CCN2[C@H]1[C@H](O)CC2,NA
-CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)[N+](=O)[O-])cccc2,TP
-CC(=O)OC1C(OCC(C1OC(=O)C)OC(=O)C)Nc1ccc(cc1)C(=O)O,FP
-CCN(C(=O)N)N=O,TP
-[O-][N+](=O)c1cc2[nH]c3c(c2c2c1cccc2)c1ccccc1c(c3)[N+](=O)[O-],TP
-Cc1cccc2c1cc1ccc3c(c1n2)cccc3,TP
-c1ccc2c(-c3cc4C5OC5c5c(-c4cc3C3C2O3)cccc5)c1,TP
-BrC([N+](=O)[O-])(Br)Br,NA
-OCC1OC(CC1O)n1cnc2c1ncn1c2ncc1,TN
-O=C(C(=C)C)OCCOCCOCCOC(=O)C(=C)C,TN
-NC(=O)OC1CO1,TP
-Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,TN
-[O-][N+](=O)c1cnc(n1C)C,TP
-CCOc1ccc(cc1N)NC(=O)C,TP
-CN(Cc1ccccc1)C,NA
-C[C@H]1OC=C2C(=C(C)C(=O)C(=C2O)C(=O)O)[C@@H]1C,NA
-CCCCCCCCCC/C=C/[C@H]1CC(=O)OC1=O,TN
-O=C1NCNC(=O)N1,NA
-ClC1=C(Cl)[C@@]2(C([C@@]1(Cl)[C@@H]1[C@H]2[C@H]2C[C@@H]1[C@@H]1[C@H]2O1)(Cl)Cl)Cl,NA
-CNc1ccc2c(c1C)nc(c(n2)C)C,TP
-ONc1oc(c(c1c1ccccc1)c1ccccc1)C(=O)OC,TN
-OC1c2cc3ccccc3c3c2c2c1cccc2cc3,TP
-COC(=O)c1oc(c(c1Cl)Cl)N,FP
-C1CC2=CC3C(C=C(C1)O2)O3,NA
-CC[N+](=NC)[O-],NA
-O=C(C1C(=O)NC(=S)NC1=O)Nc1ccccc1,NA
-CCCNc1c(ccc(c1C(=O)O)Cl)[N+](=O)[O-],NA
-c1ccc2c(c1)c1ccccc1c1c2cccc1,TP
-O=CCC1CC(C)C(O)/C=C\C=C/CC(OC(=O)CC(C(C1OC1OC(C)C(C(C1O)N(C)C)OC1OC(C)C(C(C1)(C)OC(=O)CC)OC(=O)CCC)OC)O)C,TN
-OCc1c(N)cccc1[N+](=O)[O-],TN
-[O-][N+](=O)c1c(O)cccc1[N+](=O)[O-],FN
-ClCCOCCCl,NA
-O=CNc1scc(n1)c1ccc(cc1)[N+](=O)[O-],NA
-Cc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,TP
-[O-][N+](=O)c1cccc2c1nsc2,TP
-[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])C,FP
-CC(CO)Cl,TP
-CC/C=C/C=C/C=C/C=C/C=C/OC,FN
-CCCCCN1C2C1c1ccccc1-c1c2cccc1,TP
-CCCCN(CCC(=O)C)N=O,TP
-Cc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
-COC1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,TP
-[O-][N+](=O)C1=Cc2c3c1cc1cccc4c1c3c(cc2)cc4,TP
-ONS(=O)(=O)c1cccc2c1nccc2,NA
-COc1c2c(O[C@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)c(CCC(O)(C)C)ccc1O,TP
-O=C1c2ccccc2C(=O)c2c1ccc(c2N)N,TP
-O=NN1CCCC[C@H]1C,TP
-Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])O,NA
-OCC1OC(C(C1O)O)n1cnc2c1ncn1c2ncc1,TN
-ONc1cc(ccc1C)[N+](=O)[O-],FP
-Cc1cccc2c1nn[nH]2,FP
-[O-][N+](=O)C(C(O)C)C,TN
-CC(=C)OC(=O)C,NA
-NCCNC(=O)c1ccc(cn1)Cl,NA
+C[C@@H]1O[C@@H](C)CN(C1)N=O,TP
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CN([C@@H]1C(=O)C(=C([C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C(=O)N)C,TN
-c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,TP
-CC(=O)Nc1cccc2c1-c1ccccc1C2,TP
-Cc1c(C)c(Br)c(c(c1Br)Br)Br,TN
-ClCCN(c1ccc(c2c1oc(c2)[N+](=O)[O-])OC)CCCl,TP
-ONc1ccc(cc1)Oc1ccc(cc1)NC(=O)C,TP
-OCC1OC(SC(=S)N(CC)CC)C(C(C1O)O)O,NA
-O=CN(c1ccccc1)O,FP
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-CC(=C)C(=O)OCCO,TN
-OC(COc1cccc2c1OCC(C2)O)CNC(C)C,TN
-Nc1ccn(c(=O)n1)[C@@H]1CC[C@@H](O1)CO,FN
-Clc1cccc(c1)c1nc2c(o1)cccc2,TN
-Nc1cccc(c1)O,FN
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-COc1ccc(cc1N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1cccc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
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-N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,TP
-[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])Cl,TP
-CCC(C)C,NA
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+O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,NA
+CC(=O)c1ccccn1,FP
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+Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,NA
+CCc1c2ccc3c(c2c(c2c1cccc2)CC)cccc3,TN
+c1cc(/C=C/c2ccccc2)cc(c1)/C=C/c1ccccc1,FP
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+CN(N=O)CCCC,TP
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+N#N=NCC(Cn1cnc2c1nc(N)nc2N)O,TP
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+N[C@H](C(=O)NCC(=O)O)CS,TP
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)Sc1ccccc1,FP
+CCCC[C@H](COC(=O)c1cc(ccc1C(=O)OC[C@@H](CCCC)CC)C(=O)OC[C@@H](CCCC)CC)CC,TN
+[O-][n+]1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
+COc1ccccc1N=Nc1c(O)ccc2c1cccc2,TP
+O=CNNc1scc(n1)c1ccc(o1)[N+](=O)[O-],TP
+CCCC[C@H](COS(=O)(=O)O)CC,TN
+CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,TN
+CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1-c(c([nH]2)C)c2c(n1)cccc2,TP
+Oc1ccc(cc1)[N+](=O)[O-],FP
+COc1ccc(cc1)CNC(=O)[C@H](Br)C,TP
+CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl,TN
+NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,TP
+Ic1cc(Cl)c2c(c1O)nccc2,FP
[N-]=[N+]=NCCC(C(=O)O)N,FN
-OC1C(OC2OC(C(=O)O)C(C(C2O)O)O)C(OC(C1O)C(=O)O)OC1CCC2(C(C1(C)C)CCC1(C2C(=O)C=C2C1(C)CCC1(C2CC(C)(CC1)C(=O)O)C)C)C,TN
-NNc1nncc2c1ccnc2,TP
-[O-][N+](=O)c1cccc(c1)[N+](=O)[O-],TP
-Nc1cccc2c1C(=O)c1ccccc1C2=O,TP
-[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],TP
-Brc1cc(Br)c(c(c1)c1cc(Br)cc(c1O)Br)OP(=O)(O)O,NA
-Cc1cc(C)c2c(c1)c(C)c1c(n2)c2ccccc2cc1,TP
-CCCC[C@H](COC(=O)C(=C(c1ccccc1)c1ccccc1)C#N)CC,NA
-COc1ccc(cn1)N=Nc1ccc(cc1)N(C)C,TP
-O=c1oc2cccc3c2c2c1cccc2cc3,FP
-NC1=N[C@@H](CS1)C(=O)O,NA
-[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])I,TP
-Nc1nc2-c3cccnc3CCc2s1,TP
-Nc1c(C)cccc1O,FP
-Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
-[O-][N+](=O)c1ncc2c(c1)c1cc(cc(c1[nH]2)[N+](=O)[O-])[N+](=O)[O-],TP
-OCCOCCOCCO,FN
-CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC,TN
-CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,TN
-CCCCCCCCCCCC(=O)NCCO,TN
-CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,TN
-Cc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,TP
-CNc1ccc(cc1)N=Nc1ccccc1,FN
-Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,TP
-CN(C(=O)Nc1ccc(cc1)Cl)C,TN
-[O-][N+](=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O[N+](=O)[O-],TN
-CCOC(=O)C(NC(C(=O)N1C2CCCCC2CC1C(=O)O)C)CCc1ccccc1,TN
-ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,TN
-C1CC[C@@H](NC1)CC(C1CCCCC1)C1CCCCC1,TN
-ClC1=C(Cl)C(=O)C(C1=O)(Cl)Cl,FP
-CCOC(=O)C(=NNc1ccc(cc1Cl)c1ccc(c(c1)Cl)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,TN
-CN(c1ccc(cc1)/C=C/c1ccccc1)C,FN
-Nc1cc(nn1C)C1CC1,NA
-OC(=O)[C@H](Oc1ccc(cc1C)Cl)C,TN
-OCCCCN(N=O)CC,TP
-O=C(NS(=O)(=O)c1ccc(cc1)C(=O)C)NC1CCCCC1,NA
-[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c([C@H]3[C@@H]2O3)ccc1,TP
-CCOC(=O)C(=C)C#N,TN
-OCCNc1nc(nc2c1cccc2)c1ccc(s1)[N+](=O)[O-],TP
-Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],TP
-CC(N=C=NC(C)C)C,NA
-Nc1ccc(cc1)/C=C/c1ccc(cc1)Cl,TP
+ClCc1cccc(c1)[N+](=O)[O-],TP
+COC(=O)c1oc(c(c1Cl)Cl)N,FP
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O,FN
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+Cc1cccc2c1-c1ccccc1[C@@H]2C,TP
+N#C[C@@H]1COCC[N@]1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,FP
+COc1cc(/C=C/C(=O)O)ccc1O,TN
+Nc1cnc2c(c1)cccc2,TP
+CCCCCCCCCCSCn1cc[n+](c1)C.Cl,FN
+O=C1CCCO1,TN
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+C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,TN
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+COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)CC(=O)O)C,TN
+O=C1c2c(-c3c1c1ccccc1cc3)ccc1c2cccc1,TN
+O1CCOCCOCCOCCOCCOCC1,TN
+[O-][N+](=O)c1cc(Cl)c(c(c1)[N+](=O)[O-])N,TP
+ClCCN(c1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])CCCl,TP
+CC(CCOC(=O)CC(C)C)C,TN
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+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cc(O)c(nc1=O)N,TN
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+C[C@H]([C@@H](CBr)Br)Cl,TP
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+[O-][N+](=O)c1ccc2-c3ccc4c(c3CCc2c1)CCCC4,TP
+Clc1cccc(c1)NS(=O)(=O)c1cccc2c1nccc2,TN
+Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,TP
+CCCC[C@@H](COC(=O)c1cccc(c1)C(=O)OC[C@H](CCCC)CC)CC,TN
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+COC(=O)c1ccc(cc1)C(=O)OC,TN
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+OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC(CO)O)(C)C)O,TN
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+O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
c1ccc(cc1)Nc1cccc2c1cccc2,FP
-N#[N+]c1nc[nH]c1C(=O)N,NA
-c1ccc2c(c1)c(OCC1CO1)ccc2,TP
-Oc1ccc2c(c1N=Nc1ccc(c(c1)S(=O)(=O)O)C)cccc2,TN
-O=C1NC2(C(=O)N1CCN1CC1)CCCCC2,NA
-OC1C2OC2c2c(C1O)ccc1c2cccn1,FP
-OC[C@@H](CCl)O,NA
-CC(=O)OCC1=CO[C@H]([C@H]2C1=C[C@@H]([C@]12OC1)OC(=O)CC(C)C)OC(=O)CC(C)C,NA
-CC(=O)c1ccc(c(c1Cl)Cl)Cl,NA
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-OC1COC2(C1OC(=O)C2(O)Cc1c[nH]c2c1cccc2)O,NA
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-O=Cc1ccc2c(c1)OCO2,TN
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-CC(=O)Nc1cc(ccc1N=Nc1cccnc1)N(C)C,FP
-CCN(CCN1C(=O)CN=C(c2c1ccc(c2)Cl)c1ccccc1F)CC,TN
-BrCCCCCCCC(=O)O,FN
-Nc1ccc(cc1F)c1ccc(c(c1)F)N,TP
-O=C(c1ccccc1N)OCCc1ccccc1,TN
-Nc1c(Oc2ccccc2)cc(c2c1C(=O)c1ccccc1C2=O)O,TP
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-OCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
-OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,TP
-Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,TP
-Clc1ccc(cc1Cl)N=Nc1ccc(c(c1)Cl)Cl,NA
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-c1ccc2c(c1)cc(cc2)OCC1CO1,TP
-O=NN(CCN(C)C)C,TP
-Cc1ccc2-c3c(Cc2c1)cc(cc3)C,TN
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-O=NN(Cc1cccc(c1)C(F)(F)F)C,TP
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O=Cc1cccc(c1Cl)Cl,TN
-CCOc1ccc(cc1)NC(=O)N,NA
-OCc1ccc(cc1[N+](=O)[O-])N,TP
-O=CN(c1ccc(c(c1)Cl)Cl)O,TN
-Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)N,NA
-Oc1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
-O=C1C=C(C)C2(C(=C1)CCC1C2CCC2(C1CCC2=O)C)C,NA
-N#N=NCC(Cn1cnc2c1ncnc2Cl)O,TP
-O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,FP
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-[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,TP
-COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,TN
-CCC1OC1c1ccccc1,FP
-CC(Oc1ccc(cc1)Nc1ccccc1)C,NA
-[O-][N+](=O)c1ccc(o1)/C=N/n1cccn1,NA
-O=C1CC[C@@H]2c3c1c(O)ccc3-c1c3[C@@]2(O)[C@H](O)CC(=O)c3c(cc1)O,NA
-[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2ccc2c1cccc2,TP
-OC(=O)Cc1ccc(c(c1)O)O,FN
-ONC(=O)CNC(=O)c1ccccc1,NA
-FC(=C(F)F)Cl,NA
-CN1[C@@H](CSCC(F)(F)F)Nc2c(S1(=O)=O)cc(c(c2)Cl)S(=O)(=O)N,NA
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc([N+](=O)[O-])c2c1cccc2,TP
-O1CCN(CC1)SSN1CCOCC1,NA
-CC(C(=O)N(c1ccc(cc1)Cl)O)C,FN
-OCCN(c1nc(nc2c1cccc2)c1cccs1)CCO,FP
-OCCNCCn1c2-c3ccccc3C(=O)c2c2c(c1=O)cccc2,NA
-CCOC(=O)CNC(=O)C=[N+]=[N-],NA
-Nc1ccc2c(c1)ccc1c2cccc1,TP
-C1C[C@H]2[C@@H]([C@H]1O[C@H]1CC[C@H]3[C@@H]1O3)O2,TN
-Nc1ccc(cc1)Oc1ccccc1,TP
-NCCCN1CCN(CC1)CCCN,TN
-CCOC(=O)N(C)C,NA
-Cc1cccs1,NA
-Cl[Si](Cl)(Cl)Cl,NA
-CO,NA
-Nc1ccc(c(c1)C(F)(F)F)Cl,FP
-CC=C,NA
-BrCC(=O)Nc1ccc(cc1)C,TN
-CC(NC(=O)/C=C\c1ccc(o1)[N+](=O)[O-])C,TP
-COc1cc(CNC(=O)C(Br)C)ccc1OC,TP
-Oc1cccc2c1ccc1c2cc2c3c1C=Cc3ccc2,TP
-[N-]=[N+]=NC[C@H](C(=O)O)N,FN
-CC(=C/C(=N/Nc1nncc2c1cccc2)/C)C,NA
-CC(=O)NC(C(=O)O)CSCCCl,TP
-[O-][N+](=O)c1ccc2-c3c4c(-c2c1)ccc(c4ccc3)[N+](=O)[O-],TP
-CCCCCCCCCCCCCCCCCC(=O)O,TN
-[O-][N+](=O)c1ccc(cc1)SSc1ccc(cc1)[N+](=O)[O-],TP
-CCc1ccco1,NA
-Cl/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/SCc1ccccc1,NA
-OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O,NA
-c1ccc2c(c1)cc(cc2)Nc1ccc(cc1)Nc1ccc2c(c1)cccc2,TP
-N#CC(=Cc1ccccc1Cl)C#N,NA
-Brc1ccc(cc1)C1OC1C(=O)c1ccccc1,TN
-ClCCN(P1(=O)OCCC(=O)N1)CCCl,NA
-BrCC(c1ccccc1)Br,FN
-O1CCOC2CCCCC2OCCOCCOCCOC2C(OCC1)CCCC2,TN
-[O-][N+](=O)c1c(C)c([N+](=O)[O-])c(c(c1C(C)(C)C)[N+](=O)[O-])C,TN
-Cc1c(N)c(C)c(c(c1C)N)C,FP
-c1ncc[nH]1,NA
-Cc1ccccc1NS(=O)(=O)c1cccc2c1nccc2,TN
-OCc1c2ccc3c(c2c(c2c1cccc2)CO)cccc3,TP
-BrCC(=O)c1cccc(c1)OC,FP
-O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccc(c4c3c(c1cc2)CC4)C,TP
-CC(=O)Nc1cccc2c1ncc(c2)F,TP
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-O=C1C=C(O)c2c(C1=O)cccc2,TP
-O=C1C=C(O)c2c(C1=O)cccc2,FP
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-[O-][N+](=O)c1cc(ccc1C)C(=O)O,TP
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-On1nnc2c1cccc2,TN
-CCc1c(Br)c(Br)c(c(c1Br)Br)Br,NA
-O=C1C=CC(=O)C=C1,NA
-ClCl,NA
-Oc1cccc2c1cccc2,FP
-Oc1c(C)cc(c2c1C(=O)c1ccccc1C2=O)O,TP
-O=Cc1ccc2-c1cocc2COC(=O)CC(C)C,NA
-O[C@@H]1[C@@H](O)[C@H]2O[C@]32c2c1cccc2-c1c3ccc2c1cccc2,TP
-CCCCOCCOCCOCc1cc2OCOc2cc1CCC,NA
-Cc1cccc(c1)OP(=O)(Oc1cccc(c1)C)Oc1cccc(c1)C,TN
-ClCC(CCl)(CCl)CCl,NA
-OC1C=Cc2c(C1O)c1sc3c(c1cc2)cccc3,FP
-C=Cc1ccncc1,NA
-CCCCCCCCC(CCC(CC(C(C(CC(=O)OC)Cl)Cl)Cl)Cl)Cl,NA
-COP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC,FN
-CC(NCC(c1ccc2c(c1)cccc2)O)C,FP
-N[C@@H]1CC[C@H](CC1)N,TN
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-[O-][N+](=O)c1cccc2c1oc(=O)c1c2cccc1,TP
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-NC(C(=O)NCC(=O)O)CS,TP
-CNC(=O)ONC(=O)C,NA
-Cc1ccc(c(c1)N)[N+](=O)[O-],FP
-Cc1ccc2c3c1CCc3c1c(-c3ccccc3C3C1N3)c2,TP
-Fc1ccnc2c1cccc2,TP
-CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,TP
-Cc1cccc(c1O)C,TN
-COCOC,NA
-NCCCS(=O)(=O)Nc1ccc(cc1)Nc1c2ccc(cc2nc2c1ccc(c2)N=N#N)N=N#N,TP
-CCOC(=O)CNC(=O)C(Br)(C)C,TN
-Oc1ccc(nn1)O,NA
-Cc1c(C)cccc1N,TP
-Oc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-],TP
-N#Cc1ccccc1C,TN
-COc1ccc(cc1)CC=C,TN
+CCCCOc1cc2C(=O)CCc2c2c1c1ccccc1cc2,FP
+NNc1ccccc1[N+](=O)[O-],TP
+CC(C1C2CCC1c1c2cccc1NC(=O)c1cn(nc1C(F)F)C)C,TN
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+CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,TN
+OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,TN
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+CCCCCCCC[C@H]1CO1,TN
+CCCCCCCCCCCCC=C,TN
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+c1ccc2c(c1)c(ccc2)C[C@H]1CO1,TP
+ClCCN([P@](=O)(O)N)CCCl,TP
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+C1CCCC2C(CC1)O2,TN
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+C=CC(c1cc2cc3C[C@H](Oc3cc2oc1=O)C(OC(=O)C)(C)C)(C)C,TN
+Nc1ccc(cc1)N.Cl.Cl,TP
+NC(=S)Nc1ccccc1,TN
+Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)O,TP
+SCC(C(=O)O)NC(=O)C(S)(C)C,TN
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+O=C1c2c(N)ccc(c2C(=O)c2c1c(N)ccc2N)N,TP
+NC(=O)N=NC(=O)N,FN
+BrCC(=O)c1ccc(cc1)c1ccccc1,TP
+COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,TN
+O=c1[nH]c(=O)n(cc1F)C1CCCO1,TN
+Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl,TN
+COc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+CCN(C(=O)N)N=O,TP
+CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccc(cc2)N(C)C)C=C1,TN
+O=NN(Cc1cccc(c1)C#N)C,TP
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1[nH]2)[N+](=O)[O-],TP
+C[n+]1cccc2c1C=C[C@@H]1[C@H]2O1,FN
+O=C(c1ccccc1)OCc1ccccc1[N+](=O)[O-],FP
COc1cccc2c1C(=O)c1c(O)c3[C@@H](O[C@H]4C[C@H](N)[C@@H]([C@@H](O4)C)O)C[C@](Cc3c(c1C2=O)O)(O)/C(=N/NC(=O)c1ccccc1)/C,TP
-CCOC(=O)NNc1nncc2c1cccc2,TP
-[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,TP
-CC(=O)OC1(CCC2C1(C)CCC1C2C=C(C2=CC(=O)C3C(C12C)C3)Cl)C(=O)C,TN
-OCC(CO)O,TN
-O=Nc1ccc(cc1C)OP(=S)(OC)OC,TP
-O/N=C/C1N(COCCC([N+](=O)[O-])(C)C)C=CN1C,TN
-O=C(C1OC1c1ccc(cc1)Oc1ccccc1)c1ccccc1,TN
-CN(N=Nc1ccc(cc1)Cl)C,TP
-CCCCCCCCCCCCCCCCCCCC,TN
-OC(=O)c1ccccc1Cl,TN
-NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C,TN
+Fc1ccc2-c3c(-c4c2c1ccc4)cc1c(c3)cccc1,TP
+OC1CCN(CC1)N=O,TP
+CC/C=C/C=C/C=C/C=C/C=C/OC[C@H](O)C,TP
+NC(=N)c1ccc2c(c1)[nH]c(c2N)C(=N)N,TN
+Nc1ccc2c(c1N=Nc1ccc(cc1)[N+](=O)[O-])cccc2,TP
+C[n+]1c2ccccc2nc2c1cccc2.COS(=O)(=O)O,TP
+Oc1ccccc1c1ccccc1,TP
+OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc2ccccn2)ccc1O,TN
+ONc1ccccc1C,TP
+CCCCCNCCCCC,TN
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)Cl,TP
+ClCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,TP
+Clc1ccnc2c1cccc2,TP
+O=Nc1ccc2c3c1ccc1c3c(cc2)cc2c1cccc2,TP
+NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,TN
+OC1C(OC(C(C1O)O)COC1OCC(C(C1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,FP
+ONc1[nH]cnc2-c1ncn2,TP
+OC1C2OC2c2c(C1O)ccc1c2ccc[n+]1[O-],FP
+c1ccc2c(c1)cc(cc2)[C@@H]1CO1,TP
+OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,TN
+CNC(=O)Oc1cccc2c1OC(C2O)(C)C,TN
+Cn1c2ccccc2c2c1cccc2,TP
+CCN(c1ccccc1)Cc1ccccc1,FP
+C[C@H](C(=O)Nc1ccccc1)Br,TP
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3O,TP
+CCc1noc(c1)NC(=O)c1c(OC)cccc1OC,TN
+Cc1nc2c(nc1C)cc(c1c2nc(n1C)N)C,TP
+CCC1=C(C[C@H]2NCCc3c2cc(OC)c(c3)OC)C[C@@H]2[N@@](C1)CCc1c2cc(c(c1)OC)OC,TN
+COc1ccc(cc1)C(=O)n1ncc(c(c1=O)Cl)Cl,TN
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,TN
+O=c1oc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],TP
+C[C@H](C=O)CC,TN
+CCCc1cc(O)nc(n1)S,TN
+O=C1c2ccccc2CCc2c1cccc2,FP
+C#C[C@](c1ccc(c(c1)C)C)(c1ccccc1)OC(=O)NC1CCCCC1,TP
+OC1C=Cc2c(C1O)ccc1c2cccn1,FP
+CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,TN
+[O-][N+](=O)c1cccc(c1N)C,TP
+COc1cc2Cc3cc(C)cc(c3C(=O)c2c(c1)O)O,TP
+CN(CCCNc1c2ccccc2nc2c1c(ccc2F)[N+](=O)[O-])C,TP
+[O-][N+](=O)c1ccc2c(c1)[nH]nc2,TP
+Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],TN
+CCCCCCCCCCCCOC[C@@H]1OC1,FP
+[O-][N+](=O)c1ccc2c(c1)nc1c(n2)cc(cc1)[N+](=O)[O-],TP
+BrCc1ccc(cc1)Br,TN
+O=C1Cc2cc3ccc(cc3cc2C(C1O)O)[N+](=O)[O-],FP
+CC(=O)[C@@H]1C(=O)C=C2[C@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O,NA
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,TP
+CCc1c2ccc3c(c2cc2c1cccc2)C1OC1C(C3O)O,TP
+N1CCNCC1,FP
+COCN(c1c(CC)cccc1CC)C(=O)CCl,FN
+CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CSC(=O)c1ccco1.[Na+],TN
+CCCCON(C(=O)c1ccc(cc1)C(C)(C)C)OC(=O)C,TP
+Cc1cc2ccccc2c(c1)C,FP
+Nc1ccc2c(c1)nccc2,TP
+O=CN(c1ccccc1)O,FP
+Oc1ccc2c(c1)[nH]c1c2ccnc1C,TP
+Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,TN
+c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,TP
+c1ccc2c(c1)c(CCC1CO1)ccc2,TP
+OC(=O)/C=C/c1ccc(c(c1)O)O,TN
+NC1CCCC(C1)N,TN
+Nc1ccc(cc1)c1ccc(cc1)Cl,TP
+O=C(c1ccccc1)N(OC(=O)C)OCc1ccc(cc1)[N+](=O)[O-],TP
+OC(=O)CSc1ccc2-c3ccccc3C(=O)c3c2c1ccc3,TP
+CC(=C)C1CCC(=C)C2C1C=C(C)C(=O)C1=C2C(=O)C(C1)C,TN
+CC[C@H](NC(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
+OC(=O)C(CCl)Cl,TN
+COc1cc(ccc1N=Nc1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)N=Nc1cc(c2c(c1O)cccc2)S(=O)(=O)O,TP
+CC1CN(C)C2C(C1)c1cccc3c1c(C2)c[nH]3,TP
+Oc1ccc2c(c1/N=N/c1ccccc1)ccc(c2)S(=O)(=O)O,TN
+Nc1ccc2c(c1)c1ccccc1n2C,TP
+CCC(Nc1snc2c1cccc2)C,TN
+Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],TN
+CCC[C@H](C[C@@H]([C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C[C@@H](C[C@@H](CCCC[C@@H](C[C@@H]([C@@H](N)C)O)O)O)C)OC(=O)C[C@H](C(=O)O)CC(=O)O)C,TN
+CCCCCCOC(=O)C=C,TN
+CCCC(=O)OCc1cccc(c1)[N+](=O)[O-],TN
+Clc1ccc(c(c1)[N+](=O)[O-])Cl,TP
+OCCCNP(=O)(N(CCCl)CCCl)O,TP
+[O-][N+](=O)c1ccc(c(c1)N)C,TP
+OCC1OC(OC2C(OC3C(O)C(O)C(C(C3N=C(N)N)O)N=C(N)N)OC(C2(O)C=O)C)C(C(C1O)O)NC,TP
+O=C(C(c1ccccc1)N)NC1C(=O)N2C1SC(C2C(=O)OCc1oc(=O)oc1C)(C)C,TN
+CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
+C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,TN
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C=C3,TP
+O[C@@H]1C=Cc2c([C@@H]1O)c1cc3ccccc3c(c1cc2)C,TP
+OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,TN
+COc1ccccc1CC1CO1,TP
+CN(C(=O)c1cccnc1S(=O)(=O)N)C,TN
+c1ccc(cc1)c1ccc(cc1)CC1CO1,TP
+CCCCOC(=O)C(OC(=O)C)(CC(=O)OCCCC)CC(=O)OCCCC,TN
+Nc1ccc(cc1)Cl,TP
+CCCC(=O)O[C@@H]1[C@@H]2O[P@](=O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC,TN
+OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,TN
+NCCCCCCN,TN
+OC1C=CC2C34C1Oc1c4c(CC2N(CC3)C)ccc1O,TN
+CCOCCc1c(nc(n2c1ncn2)N)c1ccccc1,NA
CCCC/C=C/C=C/C=C/C=C/C=C/OC,TP
-CCCCOS(=O)(=O)C,TP
-[O-][N+](=O)c1ccc2c3c1CCc3ccc2,TP
-Nc1ccccc1,FP
+Nc1ccc(cc1Cl)Cc1cc(O)c(c(c1)Cl)N,FP
+OC[C@H]([C@H]([C@H]([C@H]([C@H]1SCCN1N=O)O)O)O)O,FN
+[O-][N+](=O)c1cccc(c1O)N,FP
+O=C(c1ccccc1)/C=C/c1ccc(cc1)Oc1ccccc1,TN
+CCCCCCCCCCCl,TN
+Clc1ccc(cc1)S(=O)C,TN
+Oc1ccc2c(c1)CCC1C2CC[C@]2([C@]31CC[C@@]2([C@@H](C3)O)O)C,TN
+Nc1ccc(cc1Cl)Cc1ccc(c(c1)Cl)N,FN
+[O-][N+](=O)c1cc2c(cccc2c2c1cccc2[N+](=O)[O-])[N+](=O)[O-],TP
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F,TN
+O=NN(C(C(=O)O)C(=O)O)CC1(O)CCC(C(C1O)O)O,TN
+c1ccc2c(c1)cc1c(c2[C@@H]2CO2)cccc1,TP
+Cc1cc(N)c(cc1N)C,TP
+C=Cc1ccc(cc1)N,TP
+CCCCOc1ccc2c(n1)c(NCCCNCCCl)c1c(n2)cc(cc1)Cl.Cl.Cl.O,TP
+COc1cccc2c1C(=O)c1c(C2=O)c(O)c2c(c1O)C(OC1CC(N)C(C(O1)C)O)CC(C2)(O)C(=O)C,TP
+O=C/C(=C(\C(=O)O)/Cl)/C(Cl)Cl,TP
+CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,TN
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O.O,TP
+NC(=O)c1ccccc1C,TN
+C1C/C=C/CC[C@H]2[C@H](CC/C=C/1)O2,TN
+O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,TN
+C[N+]1(C)CCOCC1,TN
+OCC1OC(C(C1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],FN
+COc1ccccc1N.Cl,TP
+CCCCCOC(=O)C(=C)C,TN
+CCCCCCCCCCCC(=O)N(CCO)CCO,TN
+O=N/N=C/1\NCCN1Cc1ccc(nc1)Cl,TN
+BrC(C(C)(C)C)C(=O)Nc1ccccc1,FP
+c1cc2C=Cc3c2c(c1)cc1c3c2ccccc2cc1,TP
+ClCCN(C(=O)N[C@@H]1CC[C@H](CC1)C)N=O,TP
+Nc1[nH]cnc2-c1ncn2,FN
+C1CCC2C(C1)CC1(CC2)CO1,TN
+[O-][N+](=O)c1c(O)ccc2c1[nH]c1c2cccc1,FP
+c1ccc2c(c1)cc(c1c2cccc1)[C@@H]1CO1,TP
+[O-][N+](=O)c1ccc2c(c1)ccc1c2cc(cc1)[N+](=O)[O-],TP
+CNC(=O)Oc1cccc2c1OC(C2)(C)C,TN
+[O-][n+]1cccc2c1C1OC1C=C2,TN
+Cc1ccc(c(c1)O)C,TN
+CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,FP
+ClC(=C(SSc1ccccc1[N+](=O)[O-])Cl)Cl,TP
+N#N=Nc1nc2c(n1C)c1cccnc1cc2,TP
+N=C1C=CC(=C(c2ccc(cc2)N)c2ccc(cc2)N)C=C1,TP
+CCCC[C@H](CN)CC,TN
+NC(=O)c1ccc(cc1)[N+](=O)[O-],TP
+O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,TN
+OC(=O)c1oc(c(c1c1ccccc1)c1ccccc1)[N+](=O)[O-],TP
+Cc1ccccc1/N=N/c1ccc(c(c1N)C)N,TP
+COc1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
+O=C/C(=C/c1ccccc1)/C,TN
+CC(c1ccc(cc1)O)(CC(C)(C)C)C,TN
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,TN
+NCCCNCCCN,TN
+CC1=CC[C@@H](CC1)C(=C)C,TN
+ClC(=O)c1ccccc1C,TP
+ClC(=O)c1cccc(c1)[N+](=O)[O-],TP
+Cc1cc2c(nc1N)[nH]c1c2cccc1,TP
+[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)/C=N/OCc1ccccc1[N+](=O)[O-],FN
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,TN
+COP(=S)(Oc1ccc(c(c1)C)N)OC,FN
+CN(N=Nc1ccccc1)C,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCC=C2,TP
+OC1c2ccccc2-c2c(C1O)c(Br)c1c(c2)cccc1,FP
+CC(OP(=O)(F)C)C,TN
+CC/C=C/C=C/C=C/C=C/C=O,FP
+O=C1CCC(=O)N1c1ccc(c(c1)Cl)Cl,TN
+CCOC(=O)CNC(=O)CBr,FP
+O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N)CNC(C)(C)C,FN
+CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3,TP
+Oc1ccc(cc1)CCC(=O)c1c(O)cc(cc1O)O,TN
+COc1ccc(cc1)CN(N=O)C,FP
+CCCCC(C(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CCCCCCC(CC(C(N)C)O)O)C)OC(=O)CC(C(=O)O)CC(=O)O)C,TN
+CC(c1cc(ccc1OP1OC[C@]2(CO1)COP(OC2)Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C,TN
+ClCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
+OC(=O)C(C(C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(F)F,TN
+Cc1cc(C)c(c(c1)C)CN1C2C1c1ccccc1-c1c2cccc1,TP
+Cc1cc2n(C)c(nc2c2c1nccn2)N,TP
+COc1ccc2c(c1)nc(n2C)N,FN
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCC=C2,TP
+OC(=O)/C=C/c1ccc(cc1)N,TN
+C/C(=C/CC/C=C(\CC/C=C(\CCC=C(C)C)/C)/C)/CC/C=C(\CCC=C(C)C)/C,TN
+Cc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+CC(=O)Nc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]cc2,TP
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)C)CC,TP
+OCC1OC(OC(C(C(=O)NC(C(C(C(=O)NC(C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCc2nc[nH]c2)C(O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)C(CC(=O)N)NCC(C(=O)N)N)c2nc[nH]c2)C(C(C1O)O)OC1OC(CO)C(C(C1O)OC(=O)N)O,TP
+CCCCCCCCCCCCCO,TN
+[O-][N+](=O)c1ccc2-c3c(-c4c2c1c(cc4)[N+](=O)[O-])cccc3,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1[N+](=O)[O-],TP
+Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,TP
+OCCc1ccc(cc1)[N+](=O)[O-],TP
+OC1C(O)C2OC2c2c1ccc1c2cc2c(n1)ccc1c2cccc1,TP
+Nc1ccc2c(c1/N=N/c1ccccc1)cccc2,FP
+ClCc1cccc2c1c1ccc3c4c1c(c2)ccc4ccc3,TP
+CCOc1cccc(c1)N,TP
+[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,FP
+OC(=O)[C@H](Cc1ccc(c(c1)O)O)N,FN
+Cc1cc(C)cc(c1)O,TN
+c1cc2ccc3c4c2c(c1)ccc4ccc3[C@H]1OC1,TP
+O=Nc1ccc2c3c1ccc1c3c(cc2)c2c(c1)CCCC2,TP
+CC1=CC[C@H](CC1)C(O)(C)C,TN
+[O-][N+](=O)c1cc(cc(c1c1ccccc1)[N+](=O)[O-])[N+](=O)[O-],TP
+Oc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,TP
+Cc1cccc2c1ccc1c2cccc1,TP
+[O-][N+](=O)c1cccc2c1nsc2C(C(=O)OCC)C#N,TP
+O=C/C=C/C=O,TP
+Nc1cccc2c1c(N)c1c(n2)cccc1,TP
+ClCC1C(CCl)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,TN
+Cc1cc(C)c(cc1C)C,TN
+COC(=O)C(=C)C#N,FN
+CNNCc1ccc(cc1)C(=O)NC(C)C.Cl,TN
+CCNS(=O)(=O)c1ccccc1C,FN
+Cc1ccc(cc1)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,TN
+CC(Nc1ccccc1)C,TN
+Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],TP
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O,TN
+ClCc1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
+Oc1c(Br)cc(cc1Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O,TN
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,TN
+CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC,TN
+CC(=O)Nc1ccc2-c3c(-c4c2c1ccc4)cc(cc3)O,TP
+O=C1O[C@H]2CC[N@]3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O,TN
+SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,TP
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccccc1,FN
+CCN1CCN(C(=O)C1=O)C(=O)NC(C(=O)NC1C(=O)N2C1SC(C2C(=O)O)(C)C)c1ccccc1,TN
+Nc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
+[O-][N+](=O)c1ccc2c(c1)c(cc1c2c(ccc1)[N+](=O)[O-])[N+](=O)[O-],TP
+ClC(=O)c1ccccc1C(=O)Cl,TP
+c1ccc2-c3c4c(-c2c1)cc1ccccc1c4ccc3,TP
+CCCn1cc2c3c1cccc3C1C(C2)N(C#N)CC(C1)C,TP
+N#Cc1cccc(c1)[N+](=O)[O-],FN
+OCC1OC(CC1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],TP
+ONc1cnc2c(c1)nc1n2cccc1,TP
+CC[C@H]1C[N@]2CCc3c([C@H]2C[C@H]1C[C@H]1NCCc2c1cc(OC)c(c2)OC)cc(c(c3)OC)OC.Cl.Cl,TN
+Cc1ccc2c(c1)cccc2[N+](=O)[O-],TP
+Nc1ncnc2c1nc[nH]2,FN
+CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C,NA
+OS(=O)(=O)O.Oc1cccc2c1nccc2.Oc1cccc2c1nccc2,TP
+Nc1cc(Cl)cc(c1)Cl,TN
+CN(c1ccc(cc1)N=Nc1ccc(cc1)N(C(=O)C)C)C(=O)C,FP
+O=C1CCC(=O)N1c1ccc(cc1)Cl,TN
+CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],TN
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(c3c2CCCC3)ccc1,TP
+O=C(C1OC1)Nc1ccccc1,TP
+CC(C[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl)C,TN
+CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],TN
+CCOP(=O)(O/C(=C\Cl)/c1ccc(cc1Cl)Cl)OCC,TN
+OC1C=Cc2c(C1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,TP
+COc1cc(ccc1OC)Cc1cnc(nc1N)N,FN
+CCSc1cc(ccc1N)Cc1ccc(c(c1)SCC)N,TP
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,TP
+SC[C@@H](C(=O)O)NC(=O)C,FN
+c1cc2ccc3c4c2c(c1)ccc4cnc3,TP
+Nc1ccc2c(c1)nc1c(n2)cccc1,TP
+c1ccc(cc1)N/N=N/c1ccccc1,TP
+O=C1CCc2c1ccc1c2ccc2c1cccc2,TP
+c1ccc2c(c1)c1ccc3c4c1c(c2)C1NC1c4ccc3,TP
+CC(=O)Nc1ccc(cc1)N,TP
+COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,TN
+Cc1ccc(cc1)S(=O)(=O)OCc1ccccc1,TN
+Nc1cc(N)c(cc1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O)N=Nc1ccc(cc1)S(=O)(=O)O,TP
+[O-][N+](=O)c1ccccc1C(=O)Cl,TP
+c1ccc2-c3cc4ccc5c(c4cc3C3C(c2c1)N3)cccc5,TP
+[O-][N+](=O)c1c(O)ccc2c1cccc2,FN
+[O-][N+](=O)c1ccc(cc1)[N+](=O)[O-],TP
+CC/[N+](=C/1\C=C/C(=C(\c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)/c2ccc(cc2)N(C)C)/C=C1)/Cc1cccc(c1)S(=O)(=O)O.[Na+],TP
+O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CCC2=O)C)C1)C,TN
+CO/N=C(\c1ccccc1COc1ccccc1C)/C(=O)OC,TN
+[O-][N+](=O)c1c2ccccc2c(c2c1cccc2)[N+](=O)[O-],FP
+[O-][N+](=O)c1cccc2-c3c4c(-c12)cccc4c(cc3)[N+](=O)[O-],TP
+N/N=C/1\N=NC=C2[C@@H]1C=CC=C2,TP
+CN(/N=N/c1ccc(cc1)C(=O)O)C.[K+],TN
+CN(c1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)N(C)C)C,TP
+CC/C=C/C=C/C=C/C=C/C=C/OCC(CO)O,TP
+C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,TN
+CNc1ccc(cc1)C(=C1C=CC(=NC)C=C1)c1ccc(cc1)N(C)C,TN
+O=c1[nH]c(=O)[nH]nc1C(C)(C)C,FP
+NNC(=O)CNC(=O)/C=N#N,TP
+COC1OC(=O)C(=C1C(Cl)Cl)Cl,TP
+ClCc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+OC1C2OC2c2c(C1O)ccc1c2cc2cccc3c2c1C=C3,TP
+Nc1ccc(cc1)c1ccc(c(c1)[N+](=O)[O-])N,TP
+Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,TP
+O[C@H]1C=Cc2c([C@@H]1O)c1cc3c(nc1cc2)ccc1c3cccc1,TP
+OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,TN
+O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4O)C,TN
+CCCCCOc1ccc(cc1)N=O,FN
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2cccc1)CC.Cl.Cl,TP
+OC[C@@H]1C[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O,FN
+Clc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Cl,TN
+CCOC(=O)C(=NNc1ccc(cc1OC)c1ccc(c(c1)OC)NN=C(C(=O)OCC)C(=O)OCC)C(=O)OCC,TN
+CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,TN
+COc1nsc2c1ccc(c2)OC[C@H]1CO1,TP
+COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],TN
+O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,TN
+Oc1cc2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TN
+Nc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-],TP
+OCCN(N=O)CCO,TP
+COc1cc(N)c(cc1N)[N+](=O)[O-],TP
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Cl,TP
+CCC(C(N(C(=O)C(C(C)C)NC(=O)C(N(C)C)C(C)C)C)C(CC(=O)N1CCCC1C(C(C(=O)NC(c1nccs1)Cc1ccccc1)C)OC)OC)C,NA
+COc1cccc(c1)[N+](=O)[O-],FP
+O=c1n(Cl)c(=O)[nH]c(=O)n1Cl,TN
+COc1ccc2c(c1)c1c(OC)c(OC)cc3c1c(c2)N(C)CC3,FP
Oc1ccc2c(-c3ccc(c4c3c(C2=O)ccc4)O)c1,TP
-N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl,NA
-CCOC(=O)N,NA
-c1ccc(cc1)CN1CCN=N1,NA
-O/N=C/C1N(CCS(=O)(=O)C)C=CN1C,NA
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc(nc1=O)N,NA
-BrC(C#N)Br,NA
+CCN(CCCN(C1Cc2c(C1)cccc2)c1ccccc1)CC.Cl,TN
+ClN1C2C1c1ccccc1-c1c2cccc1,TP
+Nc1cc([N+](=O)[O-])c(c(c1C)C)N,TP
+COc1cc(cc(c1OC)OC)C1C2C(=O)OCC2C(c2c1cc1OCOc1c2)O,TN
+OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,TP
+CN(N=O)CC,TP
+Clc1cccc(c1)C(=O)Cl,TP
+CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,TN
+[O-][N+](=O)c1ccc2c(c1)cc[nH]2,TP
+Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,TP
+Clc1ccccc1C(F)(F)F,TN
+BrCC(C(OP(=O)(OC(C(CBr)Br)C)OC(C(CBr)Br)C)C)Br,TP
+CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC,TN
+CCCCOC(=O)c1ccc(cc1)N,TN
+CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,TN
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCC,TP
+CC/C(=C(/c1ccccc1)\c1ccc(cc1)OCCN(C)C)/c1ccccc1,TN
+ONc1ccc(cc1)c1ccccc1,TP
+[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,FN
+O=C1CCC(N1)C(=O)N1CSCC1C(=O)O,TN
+Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1,TN
+CC(=O)OCc1c2cccc3c2c2c4c1ccc1c4c(cc2cc3)ccc1,TP
+COC(=O)C(=C)C,TN
+BrCC(=O)Nc1ccccc1,TN
+NCCNCCNCCNCCNCCN,TP
+O=NN(C(=O)N)CCC(=O)O,TP
+OC(=O)C(CC(=O)O)CC(=O)O,FP
+Cc1cccc2c1cccn2,TP
+O=c1[nH]ncc2c1cccc2,TN
+CC(=O)NC(C(=O)O)CSCCCl,TP
+Cc1ccc(o1)C=O,FP
+O=NN(Cc1ccc(cc1)F)C,TP
+Nc1cccc(c1)N,FN
+COc1cc(ccc1N=N[C@@H](C(=O)Nc1ccccc1OC)C(=O)C)[N+](=O)[O-],FP
+Sc1ncnc2c1[nH]cn2,TP
+CCCCCCCCCCCCOS(=O)(=O)O.[Na+],TN
+O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,TP
+CCc1ccc(cc1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+[O-][N+](=O)c1cc2c(cc1)ncn2C,TP
+COc1cc(CC2NCCc3c2cc(O)c(c3)O)cc(c1OC)OC,TN
+Nc1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N,TN
+CC(=O)Nc1ccc(cc1)c1ccccc1,TP
+Oc1ccc(c(c1)C(C)(C)C)O,TN
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@]2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2,NA
+Nc1cc(N)c(c(c1)[N+](=O)[O-])C,TP
+CCCCN(CC(=O)CC)N=O,TP
+O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,TN
+O=C1CCC(=O)N1c1cc(Cl)cc(c1)Cl,TN
+[O-][N+](=O)c1cccc2c1cccc2,TP
+ONc1nc2c(n1C)ccc1c2cccn1,TP
+c1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
+O[C@@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2)C(=O)C,TP
+BrCc1c2ccccc2c(c2c1c1ccccc1cc2)C,TP
+Clc1cc2Oc3cc([N+](=O)[O-])c(cc3Oc2cc1Cl)Cl,TP
+OC(=O)CCc1c[nH]c2c1cccc2,TN
+C[C@@H](CCC[C@]1(C)CCc2c(O1)c(C)c(c(c2C)OC(=O)CCC(=O)O)C)CCC[C@@H](CCCC(C)C)C,TN
+[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
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-C#CCOC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1F)Cl)C,NA
-O=C1N(OCC1(C)C)Cc1ccccc1Cl,NA
-O=C1NOCC1(C)C,NA
-COC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1Cl)Cl)C,NA
-COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl,TN
-Clc1ccccc1S(=O)(=O)N,NA
-O=C(NS(=O)(=O)c1ccccc1Cl)NC(=N)/N=C(/O)\N,NA
-Clc1ccc(c(n1)C(=O)O)Cl,TN
-CCCCOC(=O)C(Oc1ccc(cc1)Oc1ccc(cc1F)C#N)C,NA
-CC(C(=O)NC(=O)O)OC(=O)Nc1ccccc1,NA
-O=S1CCOC(=C1C(=O)N)C,NA
-OC(=O)[C@H](Oc1ccc(cc1Cl)Cl)C,TN
-Fc1ccc(c(c1)F)NC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,TN
-OC(=O)c1cccnc1Oc1cccc(c1)C(F)(F)F,TN
-Nc1nc(NC2CC2)nc(n1)N,NA
-CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],TN
-Clc1ccccc1c1nnc(nn1)c1ccccc1Cl,NA
-CCNC(=O)NC(=O)/C(=N/OC)/C#N,NA
-O=C1NCC[n+]2c1cccc2,NA
-CC1OC(C)CN(C1)C1CCCCCCCCCCC1.CC(=O)O,NA
-CC(=O)O.CCCCCCCCCCCCNC(=N)N,NA
-Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl,NA
-COc1c(Cl)cc(c(c1C(=O)O)Cl)O,NA
-N#CC(C(c1ccc(cc1)Cl)C(C)C)c1cccc(c1)Oc1ccccc1,NA
-NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,TN
-CCOc1snc(n1)C(Cl)(Cl)Cl,NA
-CCOc1nc(ns1)C(=O)O,NA
-O=C(N=C(c1c(F)c(F)ccc1C(F)(F)F)NOCC1CC1)Cc1ccccc1,TN
-N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F,NA
-NC(=N)c1c(F)c(F)ccc1C(F)(F)F,TN
-NC(=O)c1c(F)c(F)ccc1C(F)(F)F,TN
-O=C(N/C(=N\OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)CC(=O)O,TN
-O=C(N/C(=N/OCC1CC1)/c1c(F)c(F)ccc1C(F)(F)F)Cc1ccccc1,TN
-OC(=O)C1CC1,TN
-OCC1CC1,TN
-CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1,TN
-OC(=O)/C=C/C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C,TN
-OC(=O)CC(C(C(c1ccc(cc1)Cl)(Cn1cncn1)O)C)O,NA
-Cc1nc(Nc2ccccc2)nc(c1)C1CC1,TN
-Cc1cc(nc(n1)N)C1CC1,TN
-Cc1nc(Nc2cccc(c2)O)nc(c1)C1CC1,TN
-OCc1nc(N)nc(c1)C1CC1,TN
-Cc1cc(nc(n1)O)C1CC1,TN
-OCc1nc(Nc2ccccc2)nc(c1)C1CC1,TN
-COc1cc(ccc1OC)/C(=C/C(=O)N1CCOCC1)/c1ccc(cc1)Cl,NA
-COCCN(c1c(C)cccc1C)C(=O)CCl,TN
-COCCN(c1c(C)cccc1C)C(=O)C(=O)O,NA
-COCCN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],TN
-[Na]OS(=O)(=O)CC(=O)Nc1c(C)cccc1C,TN
-COC(=O)CN(c1c(C)cccc1C)C(=O)CS(=O)(=O)O[Na],TN
-OCC(=O)N(c1c(C)cccc1C)CCSCC(C(=O)O)O,NA
-COCCN(c1c(C)cccc1C(=O)O)C(=O)CO,NA
-CCOc1cc(ccc1OCC)NC(=O)OC(C)C,NA
-CCOc1ccc(cc1)C(COCc1cccc(c1)Oc1ccccc1)(C)C,TN
-CCOc1ccc(cc1)C(COC(=O)c1cccc(c1)Oc1ccccc1)(C)C,TN
-CON=C(c1ccccc1COc1cc(C)ccc1C)C(=O)NC,TN
+[O-][N+](=O)c1cccc2c1[nH]c1c2cccc1,TP
+Clc1ccc(c(c1)Cl)Cl,TN
+OC(C(Cl)(Cl)Cl)Nc1snc2c1cccc2,TN
+O[C@@H]1Cc2c3c1ccc1c3c3c(c2)cccc3cc1,TP
+O(Cc1cccc2c1cccc2)CC1CO1,TP
+Nc1ccc(c(c1)N)O,TP
+NC(=O)c1cnccc1C(F)(F)F,TN
+Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(=O)O)(F)F,TN
+OC(=O)c1c(Cl)cccc1Cl,TN
+COC(=O)Nc1nc2c([nH]1)cc(cc2)O,TN
+Oc1ccc(cc1)/C=N/c1snc2c1cccc2,TP
+COc1ccc(cc1)C=C,TN
+C=C[C@@H]1C[N@@]2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.Br,TN
+C(C1OC1)CC1OC1,FN
+Cc1cnc2c(c1)cccc2,TP
+C/C=C(/C=O)\Cl,TP
+ClCc1ccc(cc1)F,FP
+OC1C2OC2c2c(C1O)ccc1c2cccc1,TP
+CCCCCCCC(=O)O,TN
+Cc1ccccc1N.Cl,TP
+CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,TN
+O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,TN
+COCCOC(=O)C=C,TN
+ONc1ccc(c(c1)Cl)Cl,FP
+OCc1ccc(cc1[N+](=O)[O-])N,TP
+O=Cc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,FP
+[O-][N+](=O)c1cc2cccc3c2c2c1cccc2c1c3CCCC1,TP
+CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,TN
+[O-][N+](=O)c1ccc2-c3ccccc3CCc2c1,TP
+CCCCCCCC(=O)Nc1snc2c1cccc2,TN
+COc1c(OCC2OC2(C)C)ccc2c1nc1occc1c2OC,FP
+Cc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O,TP
+OC(=O)C(c1ccc(cc1)CSc1cnn(c(=O)c1Cl)C(C)(C)C)(C)C,TN
+O=C/C=C(\C=C/C=C(\C=C/C1=C(C)CCCC1(C)C)/C)/C,FN
+COC(=O)/C(=C/c1ccc(o1)Br)/[N+](=O)[O-],FP
+CNN=NC,NA
+c1cc2ccc3c4c2c2c1ccc1c2c2c4c(cc3)ccc2cc1,TP
+Nc1ccc2c(c1)s[nH]c2=O,FP
+CCOCCOC(=O)/C=C/c1ccc(cc1)OC,TN
+CCOc1cccc2c1nccc2,FP
+OCCNc1ccc(cc1)/N=N/c1ccc(cc1)NCCO,TP
+CCN(c1ccc2-c3c(Cc2c1)cccc3)C(=O)C,TP
+Cc1cccc(c1)OP(=O)(Oc1ccccc1)Oc1ccccc1,TN
+Cc1cc2ccccc2c2c1cc1ccccc1c2,TP
+OCCN(c1ccc(c(c1)C)N=Nc1cccnc1)CCO,FP
+O=C(c1ccc(cc1)c1ccccc1)/C=C/c1ccccc1,TN
+COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,TN
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)[n+](c2c1cccc2)[O-],TP
+CC1=CC(=O)c2c(C1=O)cccc2O,TP
+Nc1cc([N+](=O)[O-])c(cc1F)N,TP
+O=C1c2cc(ccc2-c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
+Nc1ccc2c(n1)n1cccc(c1n2)C,TP
+O=NN(Cc1cccc(c1)OC)C,TP
CO/N=C(\c1ccccc1CO)/C(=O)NC,TN
-[O-]P(=O)=O.[Na+].[Na+],NA
-O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1,FP
-Oc1cccc2c1OC(C2)(C)C,TN
-CNC(=O)Oc1cccc2c1OC(C2O)(C)C,TN
-COc1nc(Oc2cccc(c2C(=O)[O-])Oc2nc(OC)cc(n2)OC)nc(c1)OC.[Na+],TN
-COc1cc(OC)[nH]c(=O)n1,TN
-COc1cc(=O)[nH]c(=O)[nH]1,TN
-COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,TN
-COc1nc(nc(c1)O)Oc1cccc(c1C(=O)[O-])O.[Na+],TN
-COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,TN
-COc1cc(O)nc(n1)Oc1cccc(c1C(=O)[O-])Oc1nc(OC)cc(n1)OC.[Na+],TN
-Fc1ccc2c(c1)sc(n2)c1nc2c(s1)cc(cc2)F,NA
+c1cc2ccc3c4c2c(n1)ccc4ccc3,TP
+Cc1cccc(c1)N=Nc1ccc(cc1)N(C)C,TP
+OCc1cc2c3ccccc3cc3c2c2c1cccc2cc3,FP
+OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O.OC[C@@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2ncc(s2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@@H]1O)OC(=O)N)O,TP
+OCC(CBr)(CBr)CBr,TP
+Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,TN
+N#N=NCC(Cn1cnc2c1ncnc2Cl)O,TP
+CNC(=O)Oc1ccc(cc1)c1ccccc1,TP
Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(SCC)C)\CC,FN
-CCC(=N)C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C,TN
-Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)(O)CC(S(=O)(=O)CC)C)\CC,FP
-Cl/C=C/CO/N=C(/C1=C(O)CC(CC1=O)CC(S(=O)(=O)CC)C)\CC,FN
-CCc1oc2c(n1)C(=O)CC(C2)CC(S(=O)(=O)CC)C,NA
-CCOc1nc(NC(=O)N)nc(n1)NC,TN
-CCOc1nc(NC)nc(n1)N,TN
-CCOc1nc(nc(n1)NC)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,TN
-CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,TN
-COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(N)nc(n1)O,TN
-CCOc1nc(nc(n1)N)NC(=O)NS(=O)(=O)c1ccccc1C(=O)O,TN
-OC(=O)c1ccccc1S(=O)(=O)N,NA
-CCOc1nc(N)nc(n1)N,TN
-CCCSP(=O)(SCCC)OCC,NA
-N#Cc1sc2=c(sc1C#N)c(=O)c1c(c2=O)cccc1,NA
-COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)OC,TN
-OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,TN
-COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,TN
-COC(=O)[C@H](N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C,TN
-N#Cc1cc(C)c(c(c1)C(=O)NC)NC(=O)c1cc(nn1c1ncccc1Cl)Br,TN
-CNC(=O)c1cc(cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C)C(=O)O,TN
-Brc1nn(c(c1)c1nc(=O)c2c([nH]1)c(C)cc(c2)C(=O)O)c1ncccc1Cl,NA
-CNC(=O)C1=NN=C([CH]1)Br,NA
-N#Cc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,NA
-OCC=C(CCC=C(C)C)C,TN
-CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,TN
-Clc1cc(C)c2c(c1)c(=O)n(c(n2)c1cc(nn1c1ncccc1Cl)Br)C,NA
-Clc1cc(C)c2c(c1)c(=O)n(c(n2)C1=NN=C([CH]1)Br)C,NA
-Clc1cc(C)c2c(c1)c(=O)n1c(n2)c(Cl)ccc1,NA
+CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,TN
+Cn1c(N)nc2c1cc1ncccc1n2,FP
+Nc1ccc(c(c1)N)N=Nc1ccccc1,TP
+CCCCCCCCCCCCCCCCCCCC,TN
+Cc1ccc2c(c1)ccc1c2c2c([nH]1)ccc1c2cccc1,TP
+OC[C@@]12SS[C@@]3(N(C1=O)[C@@H]1[C@@H](O)C=CC=C1C3)C(=O)N2C,NA
+OC(=O)c1ccc(cc1)[N+](=O)[O-],TP
+CN1CCN(CC1)c1c(F)cc2c3c1OCN(n3cc(c2=O)C(=O)O)C,TP
+[O-][N+](=O)c1cc2ccccc2c2c1c(cc1c2OCO1)C(=O)O,TP
+CC1OC(=O)c2c(C1)ccc(c2O)C(=O)NC(C(=O)O)Cc1ccccc1,TN
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1,TP
+ONc1ncnc2c1ncn2C,TP
+CNS(=O)(=O)c1ccc(cc1)N,FP
+Nc1ccc(cc1Cl)NOS(=O)(=O)O,TP
+CNC1Cc2cccc3c2c(C1)ccc3.Cl,TP
+COc1ccc(cc1)CON(C(=O)c1ccccc1)OC(=O)C,TP
+Cc1c(C)cccc1N=Nc1c(O)ccc2c1cccc2,FP
+CC(c1ccc(cc1)NC(=O)N)C,TN
+Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,NA
+CCCCC(=O)n1ncc(c(c1=O)Cl)Cl,TN
+[O-][N+](=O)NC(=N)N(N=O)CCCCCC,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c(c1)cccc2,TP
+Cc1cnc2c(n1)c(C)cc1c2nc(n1C)N,TP
+N#Cc1cc(c2ccncc2)c(nc1O)C,TN
+CCc1cccc(c1)NC(=O)c1csc(c1)[N+](=O)[O-],TP
+Cc1cccc(c1)c1nc2c(o1)cccc2,TN
+OCC1OC(OC2C(OC(C(C2O)O)C(=O)O)OC2CCC3(C(C2(C)CO)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2O)C)C)C)C(C(C1O)O)OC1OC(C)C(C(C1O)O)O,TN
+Nc1cc2cccc3-c4c(-c(c1)c23)cccc4,TP
+CCOP(=S)(SCSC(C)(C)C)OCC,TN
+C#CC1(O)CCC2C1(C)CCC1C2CCc2c1ccc(c2)OC,TN
+OCc1c(N)cccc1[N+](=O)[O-],TN
+[O-][N+](=O)c1cc(ccc1c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
+CC1CCCC1,TN
+c1ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1,TP
+O=C1C=C(O)c2c(C1=O)cccc2,FP
+Nc1ccc2-c3c(-c4c2c1ccc4)cccc3,TP
+CCNc1cccc(c1)O,FN
+OC1c2cc3ccccc3c3c2c2c1cccc2cc3,TP
+Cc1ccc(c(c1)C(=O)O)[N+](=O)[O-],TP
+ClCCN(CCCl)C,FN
+NC(=O)c1ccccc1C(=O)N,TN
+Nc1c(C)cc(c(c1C)[N+](=O)[O-])N,FP
+Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,TN
+Cc1cc(N)c(cc1C)C,TP
+Cl/C=C/C[N@+]12C[N@]3C[N@@](C2)C[N@@](C1)C3,NA
+c1ccc2c(c1)cncc2,FP
+OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,NA
+N#N=Nc1ccc(c(c1)[N+](=O)[O-])F,TP
+Nc1cc(C)c2c(c1C)c1ccccc1[nH]2,TP
+c1ccc2c(n1)cnnc2,TN
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)C)cccc2,FP
+Oc1cccc2c1cccn2,FN
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1cc(Cl)c(c(c1)Cl)N(Cc1cnc2c(n1)c(N)nc(n2)N)C,TN
+OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,TN
+COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1n(C)ncc1c1nnn(n1)C,TN
+[O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C,TN
+[O-][N+](=O)c1c2ccccc2c2c3c1CCc1c3c(cc2)ccc1,TP
+BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,TN
+O=C(C1OC1)NCc1ccccc1,TP
+COC(=O)C12OC2(C)C(OC1=O)C,TP
+SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,TP
+Cc1ccc(c(c1)C)N=Nc1c(O)ccc2c1cccc2,TP
+CC(=O)Nc1ccccc1C,FN
+OC1C2OC2c2c(C1O)ccc1c2ccc2c1cccc2,TP
+CN(CCCNc1c2ccccc2nc2c1c(ccc2N(CCOC(=O)C)CCOC(=O)C)[N+](=O)[O-])C,TP
+CC(=O)NC(C(=O)O)CSC(=C(Cl)Cl)Cl,TP
CCCCN(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)CCCC,TN
-Nc1cn[nH]c(=O)c1Cl,NA
-Cn1ncc(c(c1=O)Cl)N,NA
-Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2,TN
-Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,TN
-O=C1CCc2c(O1)ccc(c2C)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
-Cc1cc(cc(c1)C(=O)O)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)C(O)CCO2,TN
-ClCC[N+](C)(C)C.[Cl-],TN
-COCCOC(=O)C(C(=O)c1ccccc1C(F)(F)F)(c1ccc(cc1)C(C)(C)C)C#N,NA
-OC(=O)c1ccccc1C(F)(F)F,TN
-NC(=O)c1ccccc1C(F)(F)F,FN
-CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,TN
-OC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl,TN
-Fc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)C(=O)O,TN
-OC(=O)CCc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,TN
-OC(=O)/C=C/c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,TN
-OC(=O)C(Cc1cc(c(cc1Cl)F)n1ncn(c1=O)C(F)F)Cl,TN
-OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,TN
-FC(n1c(C)n[nH]c1=O)F,NA
-OCc1nn(c(=O)n1C(F)F)c1cc(C(=O)O)c(cc1F)Cl,TN
-COc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,TN
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+Fc1cc2cccnc2c2c1cccc2,TP
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+NCC(C(=O)NC1CC(N)C(C(C1OC1CCC(C(C1O)NC)(C)O)O)OC1CC(CN)C(C(C1O)O)O)O,NA
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+OC(=O)[C@H](c1ccc2c(c1)[nH]c1c2cc(cc1)Cl)C,FP
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+CCCCCN1C2C1c1ccccc1-c1c2cccc1,TP
+OCCN(c1ccc(cc1)N=Nc1cccnc1)CCO,TN
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+CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,TN
+NS(=O)(=O)c1cccc2c1nccc2,FP
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+NC[C@]1(C)C[C@H](N)CC(C1)(C)C,NA
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+CC(CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C)C,TN
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+Clc1ccc(c(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
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+CNC(=O)CSP(=S)(OC)OC,FN
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+C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@@H](OC1=O)CC3,TP
+CN(CCNC(=O)c1cccc2c1nc1ccccc1c2N)C,TP
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+OC1CC2(C)C(C(C1O)(C)C(=O)O)CCC1(C2CC=C2C1(C)CCC1(C2CC(C)(C)CC1)C(=O)O)C,TN
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+Nc1ccc2c(c1C(C)(C)C)cccc2,FP
+OC(=O)c1ccc(cc1)/N=N/c1ccc(c(c1)C(=O)O)O,TN
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+OC(=O)COc1ccc(cc1Cl)Cl.CC(N)C,TN
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+ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
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+Cc1nsc(c1)N.Cl,NA
+OCC(C(C(C1SCCN1N=O)O)O)O,TN
+OC(=O)c1cc(O)c2c(n1)c(O)ccc2,FP
+NC(=O)c1c(F)c(F)ccc1C(F)(F)F,TN
+OCCNc1ccc(cc1[N+](=O)[O-])N,TP
+OC(=O)O.[K+].[K+],TN
+OC(=O)c1ccc(cc1)/C=N/n1nnc2-c(c1O)nc1c2cccc1,TP
+O[C@@H]1CC=Cc2c1cc1ccc3c4c1c2ccc4ccc3,TP
+CN(CCN(c1ccccn1)Cc1ccccc1)C,TN
+OC[C@H]1CO1,TP
+OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-],TP
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CC,TN
+OCCN(c1ccc(cc1)N=Nc1ccc(cc1)C)CCO,TN
+Nc1ccc2c(c1)ccc1c2ccc2c1cccc2,TP
+CCC(COC(=O)c1ccccc1C(=O)O)CCC(=O)C,TN
+Clc1cc(ccc1Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
+CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,TN
+CCOC(=O)[C@H](Br)C,FN
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+OS(=O)(=O)c1ccc2c(c1)c(N=Nc1ccc(c(c1)C(=O)O)O)ccc2N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1ccc(c(c1)C(=O)O)O,FN
+ClC(C(=O)Nc1snc2c1cc(C)cc2)Cl,TP
+OC1C=Cc2c(C1O)cc1c(c2)c2ccccc2cc1C,TP
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+CCOC(=O)OC(c1ccnc2c1cc(OC)cc2)C1CC2CCN1CC2C=C,TN
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+Nc1cccc(c1)Cl,FP
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+O=C(c1ccc(cc1)C(C)(C)C)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+COC(=O)C1c2cc3c(c(c2C(CC1(O)CC)OC1OC(C)C(C(C1)N(C)C)OC1CC(O)C(C(O1)C)OC1CC(O)C(C(O1)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
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+O=C1c2ccccc2-c2c1c1c(cc2)ccc2c1cccc2,FP
OC(=O)c1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C(=O)O,TN
-Clc1cccc(c1)NC(=O)N(C)C,TN
-CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,TN
-CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCSC1)\CCC,TN
-CCO/N=C(/C1=C(O)CC(CC1=O)(O)C1CCCS(=O)C1)\CCC,TN
-CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,TN
-OC(=O)CC(C1CCCS(=O)(=O)C1)CC(=O)O,NA
-OC(=O)CC(C1CCCS(=O)C1)CC(=O)O,NA
-CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C,NA
-OC(=O)C(c1cc(ccc1O)OS(=O)(=O)C)(C)C,NA
-Clc1[nH]c(=O)c(cc1Cl)Cl,NA
-COC(=O)Nc1nc2c([nH]1)cc(cc2)O,TN
-CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C,NA
-CC(c1ccc(cc1)C(C)(C)C)O,TN
-O=c1nc[nH]c2c1cccc2,FP
-Cc1nn(c(c1/C=N/OCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C,NA
-CN=C=S,NA
-CCCCOC(=O)[C@H](Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C,TN
-O=c1ccc(c[nH]1)C(F)(F)F,NA
-Nc1ncn[nH]1,FN
-N#Cc1c[nH]cc1c1cccc2c1OC(O2)(F)F,NA
-OC(=O)c1cccc2c1OC(O2)(F)F,NA
-N#CC1=C(C(=O)NC1=O)c1cccc2c1OC(O2)(F)F,NA
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-N#CC1C(=O)NC(=O)C1c1cccc2c1OC(O2)(F)F,NA
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-OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,TN
-ClOCl.[Cu+2],NA
+Cc1ccc2c(c1)cc1c(c2)cccc1,TP
+CN1C[C@@H](c2ccccc2)c2c(C1)c(N)ccc2,FP
+Cc1ccc2c3c1CCc3c1c(-c3ccccc3[C@H]3[C@@H]1O3)c2,TP
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+Cc1cc2c(C)cccc2c2c1c1ccccc1cc2,TP
+N#N=NCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C,TP
+[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,FP
+O=C1C=Cc2c3c1cccc3ccc2,TP
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+ONc1ccc2-c3c(Cc2c1)cccc3,FN
+CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,TN
+Brc1ccc(cc1)/C=C/C(=O)c1ccccc1,TN
+O=C1c2ccccc2-c2c3c1ccc1-c4ccccc4C(=O)c(c31)cc2,FP
+O=C(c1ccc(cc1)Cl)NCOC(=O)C,FP
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+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,TN
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+COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,FP
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[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],FN
-[Cu].[Cu].O,NA
+CN(C(=O)Nc1cc(Cl)cc(c1)Cl)C,TN
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+[O-][N+](=O)c1ccc(c(c1)C)N,TP
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+CCOC(=O)c1cccc2c1nccc2,TN
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+Nc1cc(ccc1c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-],TP
+O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,TN
+Clc1ccc(c(c1)Cl)S(=O)(=O)n1ncc(c(c1=O)Cl)Cl,TN
+OC1C(O)C=Cc2c1cc1ccc3c4c1c2ccc4ccc3O,TP
+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Cc1ccccc1C(=O)O,TN
+O=C(N(C)C)Nc1ccc(cc1)C(C)C,FN
+CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,TP
+N#Cc1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-],TP
+CCCCCN,TN
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+COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)N(S(=O)(=O)C)C,TN
+COc1ccc2c(c1)ccc(c2)CCC(=O)C,FP
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+[O-][N+](=O)c1ccccc1C(=O)O,TP
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+O=Cc1ccccc1Cl,TN
+Oc1ccc(c(c1)O)/N=N/c1ccc(cc1)[N+](=O)[O-],TN
+Nc1ccccc1O,TP
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)cc(=NCC)c(c2)C,TN
+Ic1ccc(cc1)[n+]1nc(nn1c1ccc(cc1)[N+](=O)[O-])c1ccccc1,FP
+c1ccc(cc1)Nc1ccc2c(c1)cccc2,FP
+OC1C=Cc2c(C1O)ccc1c2cc2C(O)C(O)c3c(-c2c1)cccc3,FP
+OC(=O)/C=C\C(=O)O.[Na+].[Na+],TN
+BrCc1c2ccc3c(c2cc2c1cccc2)cccc3,TP
+Oc1ccc(cc1)C1CC(=O)c2c(O1)cc(cc2O)O,TN
+N#N=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,TP
+[O-][N+](=O)c1cccc2c1c(ccc2)[N+](=O)[O-],TP
+OCCN(c1ccc(cc1O)[N+](=O)[O-])CCO,TP
+OCc1c2cc(C)ccc2nc2c1ccc1c2cccc1,TP
+COc1ccc(c(c1)O)C(=O)c1ccccc1O,TP
+CC(=CC1C(C1(C)C)C(=O)O)C,TN
+[O-][N+](=O)c1ccc(o1)/C(=N/O)/N,TP
+[O-][N+](=O)c1ccccc1N,FP
+O=C(C(C)C)Nc1snc2c1cccc2,TN
+CCCCCCCCCCCCCCCCCCO,TN
+ClCCN(c1ccc(cc1)c1[nH]c2c(n1)cc(cc2)Cc1nc2c([nH]1)ccc(c2)N1CCN(CC1)C)CCCl,TN
+OCC12SSC3(N(C1=O)C1C(O)C=CC=C1C3)C(=O)N2C,NA
+N#C/C(=C\C=C\c1ccccc1)/c1ccc(cc1)Cl,FN
+Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,TN
+O=Nn1cc(c2c1cccc2)CC(C(=O)O)O,TP
+CCCC(=O)OCc1ccccc1[N+](=O)[O-],TN
+O/N=c\1/[nH]c2c(n1C)ccc1c2nc(C)cn1,TP
+Nc1c(C)cccc1N,TP
+Cc1ccc2-c3c(Cc2c1)cc(cc3)C,TN
+c1ccc(cc1)Nc1ccccc1,FP
+Nc1ccc2c(c1)nc1c(n2)c(N)ccc1,TP
+ClCc1cccc(c1)N=Nc1ccc(cc1)N(C)C,TP
+CCc1cccc2c1nccc2,TP
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-CNC(=O)ON=C(SC)C,TN
-COc1c(OC)cc(c(c1OC)C(=O)c1c(OC)ccc(c1C)Br)C,NA
-CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].CCC(=C1C(=O)CC(CC1=O)C(=O)O)[O-].[Ca+2],NA
-CCCn1c(OCCC)nc2c(c1=O)cc(cc2)I,TN
+C[C@H](CO)Cl,TP
+CC[n+]1c(c2ccccc2)c2cc(N)ccc2c2c1cc(N)cc2,TP
+N#N=NCC(C(C(C(CO)O)O)O)O,TP
+Oc1c2ccccc2cc2c1ccc(c2O)O,FN
+[O-][N+](=O)c1cnc2c(c1)nc1n2cccc1,TP
+CNc1ccc(cc1)N=Nc1ccccc1,FN
+Clc1ccc(c(c1)N)Cl,FP
+[O-][N+](=O)c1cc(ccc1[N+](=O)[O-])C(=O)O,TP
+Brc1ccc(cc1)c1ccccc1,TN
+ClCCN(c1ccc(cc1)OCC(=O)O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)N2)C)C)CCCl,TP
+COc1cc(cc(c1OC)OC)[C@@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O,TN
+CC(=O)Nc1cc2Cc3c(-c2cc1OC(=O)c1ccccc1)cccc3,TN
+Nc1cccc2c1cccc2N,TP
+Cc1cc(c(c(c1)C(C)(C)C)O)C(c1ncc(n1C)[N+](=O)[O-])O,TN
+COc1ncc(c2n1nc(n2)S(=O)(=O)Nc1c(F)cccc1F)F,TN
+OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2,TN
+Nc1ccc(cc1)Nc1ccc(cc1)[N+](=O)[O-],TP
+ONC(=O)c1ccc(c(c1)O)O,TP
+Oc1ccc(cc1)c1ccccc1,TP
+OC1C=Cc2c(C1O)ccc1c2c(C)cc2c1CCC2,TP
+CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O,TN
+COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cccc2)C,TP
+COc1cc2OC3C(c2c2c1c1CCC(=O)c1c(=O)o2)(O)C=CO3,TP
+c1ccc2c(c1)cc1c(c2)cccc1,TP
+Cc1cc(ccc1N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)C)N=Nc1c(O)c2c(N)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TP
+Oc1cc2c(c3c1cccc3)ccc1c2cccc1,TP
+CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,NA
+c1cc2ccc3c4c2c(c1)cnc4ccc3,TP
+Nc1cc2ccccc2c2c1cccc2,TP
+O=Nc1ccc(cc1)c1ccccc1,TP
+O=Nc1cccc(c1C)[N+](=O)[O-],FP
+CC[N+](=C1C=CC(=C(c2ccc(cc2)N(CC)CC)c2ccc(cc2)N(CC)CC)C=C1)CC,TP
+COC(=O)Nc1[nH]c2c(n1)cc(cc2)C(=O)c1ccc(cc1)F,FP
+OC(=O)c1ccccc1O.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,TN
+Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,TP
+O=C(C1(C)OC1)Nc1ccccc1,TP
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1,TN
+OCC(CBr)(CBr)CO,TP
+Oc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
+CCCCCCNCCCCCC,TN
+[O-][N+](=O)c1c2[nH]c3c(c2cc(c1O)[N+](=O)[O-])cccc3,TP
+ClCCCC(=O)N(c1snc2c1cccc2)CC,FP
+Nc1ccc2c(c1)nc1c(n2)ccc(c1)N,TP
+Cc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TP
+O=Nc1cccc(c1)c1ccccc1,TP
+O=NN(Cc1cccc(c1)C(F)(F)F)C,TP
+[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
+CC(Oc1ccc2c(c1)occ(c2=O)c1ccccc1)C,FP
+[O-][N+](=O)c1cc(ccc1Cl)C(=O)O,TP
+OCc1ccccc1,TN
+c1ccc2c(-c3cc4C5NC5c5c(-c4cc3C3C2N3)cccc5)c1,TP
+OC(CN=[N+]=[N-])CN=[N+]=[N-],TP
+N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,TN
+ClCCN(CCCNc1c2ccccc2nc2c1cccc2)CC,TP
+CC(C(=O)N)Br,TP
+O=Nc1ccccc1c1ccccc1,TP
+CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCC/C/2=C\C=C/1\C[C@@H](O)CCC1=C)C)C,TN
+Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1,TN
+O=C1c2ccccc2C(=O)c2c1ccc(c2[N+](=O)[O-])C,TP
+O=C(c1cccc(c1)[N+](=O)[O-])ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@H]3[C@H](C)[C@]3(O4)CC[C@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@@H]1O)O)O)O)O,TN
+CCC/C=C(\C=O)/CC,TN
+CC(=O)Nc1ccnc2c1cccc2,TN
+ClCCN(c1ccc(cc1)C[C@H](C(=O)O)N)CCCl,TP
+CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,TN
+Oc1ccc(cc1)Nc1ccc2c(c1)cccc2,FP
+COC1(CCCC1)OC1CCC2C1(C)CCC1C2CCC2C1(C)CC1SC1C2,TN
+Brc1ccccc1,TN
+ClCc1c2ccccc2c(c2c1cccc2)Cl,TP
+CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,TN
+c1cc2ccc3c4c2c(c1)ccc4nc1c3cccc1,TP
+CCc1cc(Cc2cc(C)c(c(c2)CC)N)cc(c1N)C,FP
+OC(=O)C(S(=O)(=O)O)Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C,TN
+Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,TP
+OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,TN
+N#N=NCC(Cn1cnc2c1ncnc2SC)O,TP
+CCCC(=O)OCC,TN
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)c(cc2c1cccc2)C(=O)O,TN
+CCc1ccccc1[N+](=O)[O-],TN
+COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@@H]4C[C@H]4[C@H]3[C@@H](CC1=O)OCC=C4C2,NA
+CC(=O)Nc1ccc(cc1)Sc1ccccc1,TP
+c1ccc(cc1)CNc1[nH]cnc2-c1ncn2,TN
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-],TP
+Clc1ccc2c(c1)cccn2,TP
+[N-]=[N+]=C1C=NC(=O)NC1=O,NA
+OC1C2OC2c2c(C1O)ccc1c2cc(C)c2c1cccc2,FP
+N#N=Nc1nc2c([nH]1)cccc2,TP
+Oc1ccc(c2c1cccc2)N=Nc1ccc(cc1)S(=O)(=O)O,TN
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)C1(O)C=COC1O2)CCC(O)(C)C,TP
+Cc1ccc(cc1)COS(=O)(=O)c1ccc(cc1)C,FP
+C[C@H](c1ccc2c3c1ccc1c3c(cc2)ccc1)O,FN
+OC1C=Cc2c(C1O)cc(c1c2cc2ccccc2c1)C,TP
+OCC1(O)CCC23CC1CC2CCC1C3(C)CCC(C1(C)CO)O,TN
+Cc1cccc(c1)N.Cl,FP
+NC(=O)c1ccccc1C(F)(F)F,FN
+[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],TP
+CN(C(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C=O)N=O,TP
+CC(C(=O)Nc1ccccc1)Br,FN
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+O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,TP
+COc1nsc2c1cccc2OCC1CO1,TP
+CC(=O)Nc1ccc2c3c1ccc1c3c(c(=O)c2=O)ccc1,TP
+c1ccc2c(c1)c1ccccc1cc2,TP
+COc1cccc(c1)/C=C/c1ccc(cc1)N,TP
+ClCCN(CCCNc1c2ccccc2nc2c1ccc1c2nccc1)CC.Cl.Cl,TP
+c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4cc1c3cccc1,TP
+O[C@H]1C=CC=C[C@@H]1O,TP
+Clc1nncc2c1cccc2,TN
+COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,TN
+Oc1ccc2-c3c4c(-c2c1)cc1cccc2c1c4c(cc3)cc2,TP
+O=C(c1ccccc1)Nc1ccc2-c3c(Cc2c1)cccc3,TP
+[O-]/[N+](=N\c1ccc(c(c1)Cl)Cl)/c1ccc(c(c1)Cl)Cl,FP
+CN1CC[C@H](C1)CN1c2ccccc2Sc2c1cccc2,TN
+CCOC(=O)C1OC1C(=O)NC(C(=O)NCCC(C)C)CC(C)C,TN
+Nc1ccc(cc1)Oc1ccc(cc1)N,TP
+OCC1OC(OC2CCC3(C(=CCC4C3CCC3(C4CC4C3C(C)C(O4)(OC)CCC(COC3OC(CO)C(C(C3O)O)O)C)C)C2)C)C(C(C1OC1OC(C)C(C(C1O)O)O)O)OC1OC(C)C(C(C1O)O)O,TN
+CCCN(N=O)CCC,TP
CCCn1c(OCCC)nc2c(c1=O)cccc2,TN
-Cc1cc(C)nc(n1)Nc1ccccc1,TN
-Cc1cc(C)nc(n1)N,TN
-CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C,NA
-CNC(=O)Oc1cc(C)c(c(c1)C)SC,NA
-C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C.C=CC=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C(=O)OC)C,FP
-Cc1nnc(c(=O)n1N)c1ccccc1,TN
+OCC1OC(CC1O)n1cnc2c1ncn1c2ncc1,TN
+Cc1ccnc2c1cccc2,FN
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+OCC1CC(C(O1)n1cnc2c1ncnc2N)O,FN
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+[O-][N+](=O)c1ccc2c(c1)c1c(C)ccc(c1[nH]2)C,TP
+Nc1ccc(c(c1C)N)N=Nc1ccccc1,TP
+CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,TN
+Cn1c(N)nc2c1c1cccnc1cc2,TP
+O=NN(C(=O)c1c(NC)ncn1C)C,TP
+CN1CCN(CC1)c1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc([nH]2)c1ccc(cc1)O,FP
+Cc1c2[C@H]3O[C@H]3c3c(-c2cc2c1cccc2)cccc3,TP
+OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],TN
+CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,FP
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+CC/C=C/C=C/C=C/C=C/C=C/OC,TP
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccc(cc1)[N+](=O)[O-],FP
+Clc1ccc(cc1)C(=O)Cl,FP
+CCOC(=O)c1ccccc1C(=O)OCC,TN
+ClCCc1cn(C2CC(C(O2)CO)O)c(=O)nc1N,TN
+O[C@@H](c1ccc2c(c1)OCO2)[C@@H]1CO1,TP
+Clc1c2ccccc2cc2c1cccc2,TP
+O=C(c1cnccc1C(F)(F)F)NCC(=O)N,TN
+COc1ccc(cc1OC)c1[nH]c(c(n1)c1ccc(cc1)C)c1ccc(cc1)C,TP
+COc1ccc(cc1)c1[nH]c(nc1c1ccc(cc1)OC)c1ccc(cc1C)C,TP
+CCOC(=O)Cc1c(C(=O)O)c2c(n1C)cccc2,FP
+OS(=O)(=O)O.Nc1ccc(c(c1)C)N,TP
+OCC1CC1,TN
+N[C@@H]1CC[C@H](CC1)N,TN
+[O-][N+](=O)c1cccc(c1C)C,TP
+COc1cccc(c1O)C=O,TN
+c1ccc(cc1)/C=N/c1snc2c1cccc2,FP
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,FN
+OC(=O)C1(C)CCCC2(C1CCC13C2CCC(C3)(C(C1)C)O)C,TN
+NC(=N)C(N=NC(C(=N)N)(C)C)(C)C,NA
+[O-]S(=O)(=O)[O-].[Fe+2],TN
+COC(=O)C1=C(CC)C(OC1=O)C,TP
+CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,TN
+Clc1cc(ccc1N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)N=Nc1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O,TN
+COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,TN
+CCCCCCCC(=O)Cl,FN
+Nc1cnc2c(c1)c1ccccc1cc2,TP
+c1ccc2c(c1)cc1c(c2)c2ccc3c(c2cc1)cccc3,FP
+Clc1ccc2c(c1)c(N)c1c(n2)cccc1,TP
+OC1=CC(=O)C1=O,TN
+CCCCCCc1ccc(cc1O)O,TN
+c1cc2[C@@H]3N[C@@H]3c3c2c(c1)ccc3,TP
+Oc1cc2ccc3c4c2c(c1)ccc4cc1c3cccc1,TP
+COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,TN
+O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,FP
+CCCCCNc1snc2c1cccc2,TN
+ClC1c2cc3ccccc3c3c2c2c1cccc2cc3,TP
+CC(CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C)C,TN
+[O-][N+](=O)c1cc(N)c(c(c1)[N+](=O)[O-])O,TP
+COc1cc(ccc1OC)c1nc(c([nH]1)c1ccccc1)c1ccccc1,TP
+OC[C@H]1O[C@@H](ON(c2ccc(cc2)Oc2ccc(cc2)Cl)C(=O)C)[C@@H]([C@H]([C@@H]1O)O)O,TP
+CN[C@@H]([C@H](c1ccccc1)O)C,TN
+[O-][N+](=O)c1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+CC(CCNc1snc2c1cccc2)C,TN
+C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1,TN
+Clc1ccc2c(c1)nc(n2C)N,FN
+Clc1cc(Cl)c2c(c1O)nccc2,FP
+NC(=O)Nc1cccc2c1nccc2,FP
+CCCN(C(=O)SCC)CCC,NA
+CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,TN
Cc1n[n+]([O-])c(c(=O)n1N)c1ccccc1,FN
-COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C,TN
-C#CCOC(c1ccc(cc1)Cl)C(=O)NCCc1ccc(c(c1)OC)OCC#C,NA
-C#CCOC(c1ccc(cc1)Cl)C(=O)NCCC(=O)O,NA
-O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(cc1Cl)OC(C(C(F)(F)F)F)(F)F,NA
-FC(C(Oc1cc(Cl)c(cc1Cl)N)(F)F)C(F)(F)F,NA
-COc1cc(OC)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,TN
-NC1=NN=C([N]1)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,NA
-COc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,TN
+CCO/N=C(/C1=C(O)CC(CC1=O)C1CCCS(=O)C1)\CCC,TN
+C=CC(c1cc2cc3CC(Oc3cc2oc1=O)C(O)(C)C)(C)C,FN
+OCC(=O)C1(O)CC(OC2OC(C)C(C(C2)N(C)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2,TP
+Nc1ccn(c(=O)n1)CC(CN=N#N)O,TP
+OC[C@H]1CC[C@H](O1)n1cnc2c1ncnc2O,FN
+CC(=C)[C@@H]1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2,TP
+CC(=O)Nc1ccc2-c3c(Cc2c1)cc(cc3)O,TP
+OC1C(O)C(O)COC1(O)CNc1ccc(cc1)C,FP
+COc1c(OC)c2occc2c2c1ccc(=O)o2,TN
+C1CN2CCN1CC2,TN
+Cc1ccc(cc1)NN=NCc1ccc(cc1)[N+](=O)[O-],TP
+CN(Nc1scc(n1)c1ccc(o1)[N+](=O)[O-])C,TP
+CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,TN
+CCOC(=O)NNc1nncc2c1cccc2,FN
+CCC1(OCCc2c1[nH]c1c2cccc1C(O)C)CC(=O)O,TN
+CC(=O)ON(C(=O)c1ccccc1)OCc1ccc(cc1)C,TP
+Cc1c2[C@H]3N[C@H]3c3c(-c2cc2c1cccc2)cccc3,TP
+ONc1ncnc2c1nc[nH]2,TP
+CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]1[C@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]1O)CO)C)C,TN
+Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-],TP
+C[C@@H]1CNC(=O)N1c1ncc(s1)[N+](=O)[O-],TP
+CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,TN
+c1cccnc1,FP
+C1CC2OC2CCC2C1O2,TN
+O=C1CC[C@H](N1C)c1cccnc1,TN
+O=c1ccc2c(o1)cc1c(c2)C[C@@H](O1)C(O)(C)C,FN
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])F,TP
+O=C/C=C/c1ccco1,TN
+CCCCCON=O,TP
+S1CC1,NA
+Cc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)N=Nc1ccccc1C,TP
+CC1(OC1)c1ccc(cc1)Cl,TP
+CCCCOCCOCCSC#N,TN
+CCCC[N+](=O)[O-],TN
+OCc1c(CO)cnc(c1O)C,TN
+CCc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1,TP
+Cc1ccc(c(c1)O)O,TN
+Cc1c(C)cccc1N,TP
+CCOP(=O)(N(C)C)C#N,NA
+OC1CC(O)C(=C)/C(=C/C=C/2\CCCC3(C2CCC3C(CCC(C(C)C)O)C)C)/C1,TN
+CN(C(=O)OCC)N=O,TP
+C=CC(=O)OCC(C)C,TN
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Oc1cc(O)n2c(n1)nc(n2)S(=O)(=O)Nc1c(Cl)ccc(c1Cl)C,TN
-N#Cc1ccc(cc1)CC(=NNC(=O)Nc1ccc(cc1)OC(F)(F)F)c1cccc(c1)C(F)(F)F,NA
-N#Cc1ccc(cc1)C1(O)N(C(=O)NN=C1c1cccc(c1)C(F)(F)F)c1ccc(cc1)OC(F)(F)C,NA
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-N#Cc1ccc(cc1)CC(=O)c1cccc(c1)C(F)(F)F,NA
-N#Cc1ccc(cc1)C(=O)O,TN
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-COc1nc2nc(nn2c(c1Cl)O)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,TN
-COc1nccc(c1S(=O)(=O)O)C(F)(F)F,NA
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-Clc1ccccc1CC(C1(Cl)CC1)(Cn1[nH]cnc1=S)O,TN
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-CC(=O)OC(C(C1(Cl)CC1)(Cn1cncn1)O)c1ccccc1Cl,TN
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-COc1ncc(c2n1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)OC,NA
-COc1cnc(n2c1nc(n2)NS(=O)(=O)c1c(cccc1C(F)(F)F)OCC(F)F)O,NA
-FC(COc1cccc(c1S(=O)(=O)Nc1nnc([nH]1)C(=O)O)C(F)(F)F)F,NA
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-CCCCCCCCSC(=O)Oc1cc(Cl)nnc1c1ccccc1,NA
-Clc1nnc(c(c1)O)c1ccccc1,NA
-COc1cc(Cl)nnc1c1ccccc1,NA
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-NC(=N)NC(=O)NS(=O)(=O)c1ccccc1CCC(F)(F)F,NA
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-ClC(=CCOc1cc(Cl)c(c(c1)Cl)OCCCOc1cccc(n1)C(F)(F)F)Cl,NA
-O=c1[nH]cc(cc1O)C(F)(F)F,NA
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-N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl,TN
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-Cl/C(=C\[C@@H]1[C@@H](C1(C)C)C(=O)O)/C(F)(F)F,TN
-NC(=O)C(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl,TN
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+CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C,TN
+O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-],TP
+CN(c1ccc(cc1)N=Nc1ccccc1)CCC#N,TP
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+O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C,NA
N#CC(c1cccc(c1)Oc1ccccc1)O,TN
-OCc1cccc(c1)Oc1ccccc1,TN
-OC(=O)C(c1cccc(c1)Oc1ccccc1)O,NA
-CC1=NNC(=O)N(C1)N=Cc1cccnc1,NA
-CC1=NNC(=O)N(C1)N,NA
-O=Cc1cccnc1,NA
-O=C([C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C)OCCO/N=C(\C)/C,TN
-CCCOC(=O)NCCC[NH+](C)C.[Cl-],NA
-CSc1nnc(c(=O)n1N)C(C)(C)C,NA
-O=c1[nH]c(=O)[nH]nc1C(C)(C)C,FP
-NC(C(=O)O)Cc1ncn[nH]1,NA
-CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl,NA
-CCCN(C(=O)N)CCOc1c(Cl)cc(cc1Cl)Cl,TN
-CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,TN
-CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C,TN
-CNc1nc(C)c(c(n1)O)C,TN
-CN(c1nc(C)c(c(n1)O)C)C,TN
-CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,NA
-O=C(c1ccc(cc1S(=O)(=O)C)C(F)(F)F)c1cnoc1C1CC1,NA
-N#CC(C(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F)C(=O)C1CC1,NA
-OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F,NA
-CCc1cc(C)cc(c1c1c(OC(=O)C(C)(C)C)n2n(c1=O)CCOCC2)CC,NA
-CCc1cc(C)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,TN
-CCc1cc(cc(c1c1c(O)n2n(c1=O)CCOCC2)CC)C(=O)O,NA
-CCc1cc(CO)cc(c1C1(O)C(=O)N2N(C1=O)CCOCC2)CC,NA
-Clc1ccc(cc1)CN(C(=O)Nc1ccccc1)C1CCCC1,NA
-Clc1ccc(cc1)CNC1CCCC1,NA
-Clc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N,NA
-CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,TN
-CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)CC(O)(C)C,TN
-O=C(c1c(C)nn(c1F)C)Nc1ccccc1C(=O)C,NA
-CCOc1cc(ccc1[N+](=O)[O-])Oc1ccc(cc1Cl)C(F)(F)F,NA
-OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl,NA
-OC(C(=O)O)Cn1cncn1,NA
-COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)Nc1ccccc1C(=O)N(C)C,TN
-O=C(c1ccccc1NS(=O)(=O)O)N(C)C,NA
-COc1nc(NC(=O)N)nc(c1)OC,TN
+O=C1c2c(cccc2C(=O)c2c1cccc2S(=O)(=O)O)[N+](=O)[O-],TP
+OCCCCCl,FN
+O=CN(c1ccc2c(c1)cccc2)O,TP
+Nc1ccc2c(c1)C(=O)c1c(C2=O)cc(cc1)N,TP
+Cc1cccc2c1cc1ccccc1c2,FP
+CC1CCC2(OC1)OC1C(C2C)C2(C(C1)C1CC=C3C(C1CC2)(C)CCC(C3)O)C,TN
+O=C1C(=O)c2c3c1cccc3ccc2,FN
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+CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,TN
+CCOc1ccccc1OC[C@@H]1CNCCO1.Cl,FP
+COc1cc(ccc1NC(=O)C)NC(=O)C,FP
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1,FN
+Cc1ccc(c2c1c1ccccc1[nH]2)C,TP
+CC([C@@H]1CC[C@@]2(CC1)OC2)(C)C,TN
+C=Cc1ccc(cc1)C,TN
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+O[C@@H]1C2=C(C)C3([C@@](C(=O)C2=CC1(C)C)(C)O)CC3,TP
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+CCCCCCCCCC=C,TN
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+CC(=O)OCc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TP
+Oc1ccc2c(c1)cccc2S(=O)(=O)O,TN
+CC(=O)Nc1cc(N=Nc2ccc(c(c2)NC(=O)C)C)ccc1C,FP
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+O=Cc1ccc2-c1cc(ccc2C)C(=C)C,TP
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+[O-]/[N+](=N\c1ccccc1)/c1ccccc1,FN
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+OCC1OC(CC1O)n1cnc2c1nc(O)nc2N,TN
+OC(=O)C1OC(Oc2cccc3c2cc2ccc4c5c2c3ccc5ccc4)C(C(C1O)O)O,TN
+OC(=O)C1C2C3(C4C51CC(=C)C(C5)(O)CC4)C=CC(C2(C)C(=O)O3)O,TN
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+CCCCON(C(=O)c1ccccc1)OC(=O)C,TP
+Cc1cncc(n1)C,FN
+COc1cc(O)cc2c1cc([N+](=O)[O-])c1c2c2OCOc2cc1C(=O)O,FP
+COP(=O)(NC(=O)C)SC,NA
+COc1cc(OC)n2c(n1)nc(n2)NS(=O)(=O)c1c(OC)nccc1C(F)(F)F,TN
+N#Cc1ccc(cc1)[N+](=O)[O-],FP
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+NC(=NC(=N)N)NCCc1ccccc1,TN
+CN(CCNC(=O)c1cccc2c1ncc1c2cccc1)C,TP
+Nc1sc2c(n1)c(Cl)ccc2,TN
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+C1CCC2(CC1)CO2,TN
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+Nc1ccc(c(c1)Cl)Cl,FP
+COc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+O[C@H]1C=Cc2c([C@@H]1O)cc1-c3cccc4c3c(-c1c2)ccc4,TP
+Cc1cccc2c1nc1c(c2)ccc2c1cccc2,FP
+[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],TN
COc1nc(NC(=O)NOS(=O)Nc2ccccc2C(=O)N(C)C)nc(c1)O,TN
-[O-]P([O-])[O-].[K+].[K+].[K+],NA
-[O-][P+](=O)OCC.[O-][P+](=O)OCC.[O-][P+](=O)OCC.[Al+3],NA
-OP(O)O,NA
-CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N,TN
-N#CC(c1ccc(cc1)Cl)(Cn1cncn1)CC(=O)O,TN
-ClCC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
-NC(=O)C(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
-O=C(N(c1c(C)cccc1C)Cn1cccn1)CS(=O)(=O)O,TN
-[Na]OS(=O)(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
-O=S(CC(=O)N(c1c(C)cccc1C)Cn1cccn1)CC(=O)O,TN
-CS(=O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
-OC(=O)C(=O)N(c1c(C)cccc1C(=O)O)Cn1cccn1,NA
-O=S(CC(C(=O)O)O)CC(=O)N(c1c(C)cccc1C)Cn1cccn1,TN
-CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1,TN
-OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl,TN
-O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C,FN
-O=N(=O)c1cc(ccc1C(=O)O)S(=O)(=O)C,TN
-OC(=O)c1ccc(cc1N)S(=O)(=O)C,TN
-[S-]C(=S)NC.[Na+],NA
-CCN(C(=O)C(Oc1cccc2c1cccc2)C)CC,NA
-OC(=O)C(Oc1cccc2c1cccc2)C,NA
-CC1=CC[C@@H](CC1)C(=C)C,TN
-CNC(=O)Nc1ccc(cc1)C(C)C,TN
-COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,TN
-COC(=O)c1ccccc1S(=O)(=O)NC(=O)N,TN
-COC(=O)c1ccccc1S(=O)(=O)N,NA
-COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,TN
-CN(C(=O)c1cccnc1S(=O)(=O)N)C,TN
-NC(=N)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,TN
-O=C(NS(=O)(=O)c1ncccc1C(=O)N(C)C)NC(=O)N,TN
-CNC(=O)c1cccnc1S(=O)(=O)N,TN
-COc1nc(nc(c1)O)NC(=O)NS(=O)(=O)c1ncccc1C(=O)N(C)C,TN
-COCC(=O)N(c1c(C)cccc1C(=O)O)C(C(=O)O)C,TN
-COCC(=O)N(c1c(C)cccc1C)C(C(=O)O)C,TN
-COCC(=O)Nc1c(C)cccc1C,NA
+OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,TP
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1C1OC31,TP
+Nc1cc(N)c(cc1N=Nc1ccccc1)C,TP
+CC(=O)OCc1ccccc1[N+](=O)[O-],TN
+CNC(=O)c1cc(Cl)cc(c1NC(=O)c1cc(nn1c1ncccc1Cl)Br)C,TN
+OC(c1c(C)cccc1[N+](=O)[O-])O,TP
+C#C[C@@]1(O)CC[C@@H]2[C@]1(CC)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12,TN
+C=C1C2CCC3C(C1O)(C2)CCC1C3(C)CCCC1(C)C(=O)O,TN
+Cc1cccc(c1N=Nc1c(O)ccc2c1cccc2)C,FP
+CCOc1ccccc1OCC1CNCCO1,FP
+[O-][N+](=O)c1ccc2c3c1[C@@H]1O[C@@H]1c1c3c(cc2)ccc1,TP
+Cc1cc2-c3ccccc3Cc2cc1C,FP
+CCCC(=O)Nc1snc2c1cc(C)cc2,TN
+C=Cc1ccc(cc1)[N+](=O)[O-],TP
+O=CC1=C[C@@]2(O)CC(C[C@H]2[C@]2([C@]1(C=O)C2)C)(C)C,TP
+CC(NC(=O)Nc1ccccc1)C,TN
+CC(=O)OCc1c2ccccc2c(c2c1cccc2)C,TP
+[O-][N+](=O)c1cc2ccc3c4c2c(c1)ccc4ccc3,TP
+Fc1ccc(cc1)C1OC1C(=O)c1ccccc1,TN
+CC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,TP
+c1ccc2c(n1)c1ccc3c(c1cc2)nccc3,TP
+OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,TN
+Clc1cc(ccc1N=Nc1c(O)ccc2c1cccc2)[N+](=O)[O-],TP
+Oc1cc2ccc(c3c2c2c1cccc2cc3)[N+](=O)[O-],TP
+[O-][N+](=O)c1c(C)ccc2c1cccc2,TP
+C/C=C/c1ccc(cc1)OC,TN
+N#Cc1ccccc1C,TN
+OC(=O)COc1ccc(cc1C)Cl,TN
+[O-][N+](=O)c1ccccc1Br,TP
+CCCCCCCCCCCCOS(=O)(=O)O,TN
+CCCCC/C=C\C=C/C=O,FP
+OCc1c(O)cc2c(c1O)C(=O)c1c(C2=O)cccc1,TP
+O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,TN
+Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,TP
+Brc1ccc(cc1)CN1C2C1c1ccccc1-c1c2cccc1,TP
+Oc1cc2cccc3c2c2c1c(ccc2cc3)[N+](=O)[O-],TP
+CCCCN(CCCC)CCO,TN
+O=C1C=Cc2c(C1=O)c1ccc3c(c1cc2)cccc3,TP
+COc1ccc(c2c1oc1c3c(O[C@H]4[C@H]3CCO4)cc(c1c2=O)OC)O,TN
+COC(=O)[C@@]12O[C@@]2(CC)[C@@](NC1=O)(C)O,TP
+CNc1ccc2c(c1C)nc(c(n2)C)C,TP
+CCc1cc2C(=O)CCc2c2c1c1ccccc1cc2,TP
+Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,TN
+O=C1c2c(ccc(c2C(=O)c2c1c(ccc2O)[N+](=O)[O-])O)[N+](=O)[O-],TP
+OS(=O)(=O)Oc1c2ccccc2c2c3c1ccc1c3c(cc2)ccc1,TN
+CNC1CCc2c(-c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC,TN
+Cc1cc2c(NC(=O)CCl)snc2cc1,TP
+O=C(c1ccc(c(c1)Cl)Cl)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)c1ccc(c(c1)Cl)Cl,TP
+CC(=O)N(c1ccc2-c3c(Cc2c1)cccc3)O,TP
+C([C@@H]1OC1)Cc1ccccc1,TP
+OCCN(C(=O)Nc1ccccc1)C,TN
+NC(=O)NNC(=O)N,FP
+[O-][N+](=O)c1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,TP
+OC1CC2C(C1(C)CC2)(C)C,TN
+COP(=O)(C(C(Cl)(Cl)Cl)O)OC,TN
+[O-][n+]1ncc2c(c1)cccn2,TN
+CCOC(=O)C=C,TN
+COc1c(O)c2N(CCc2c2c1[nH]c(c2)C(=O)N1CC2C3(C1=CC(=O)c1c3c(C)c[nH]1)C2)C(=O)c1cc2c([nH]1)c(OC)c(c1c2CCN1C(=O)N)O,NA
+O=CC1=CC2(O)CC(CC2C2(C1(C=O)C2)C)(C)C,TP
+Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,TP
+OS(=O)(=O)O.OCc1c2ccc3c(c2cc2c1cccc2)cccc3.[Na+],TP
+COC(=O)c1cccc2c1c(=O)c1c(o2)c2c(cc1OC)O[C@H]1[C@H]2C=CO1,TP
+CC(=O)Nc1ccc(c(c1)N=[N+](c1cc(ccc1C)NC(=O)C)[O-])C,TN
+Oc1n(/N=C/c2ccccc2)nnc2-c1nc1c2cccc1,TP
+COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
+CC(=O)Nc1ccc(cc1)N=Nc1cc(C)ccc1O,TP
+C[C@@H]1OC(=O)c2c(C1)c(Cl)cc(c2O)C(=O)N[C@@H](C(=O)O)Cc1ccccc1,TN
+Clc1ccc(cc1)C[C@@H]1OC1,TP
+CCCC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCCC)CC)CC,TN
+[O-][n+]1c[nH]c2-c(c1N)ncn2,TP
+CN(N=Nc1ccc(cc1)C(=O)O)C,TN
+OCNC(=O)c1ccc(cc1)Cl,TN
+OC1C(O)C=Cc2c1ccc1c2cc2c(n1)ccc1c2cccc1,TP
+Nc1ccc2c(c1)cns2,TP
+Nc1cccc2c1c1ccccc1cc2,FP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)c2c([n+]1[O-])cccc2,TP
+COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,TP
+[O-][N+](=O)c1ccc2c(c1)cc1-c3cccc4c3c(-c1n2)ccc4,TP
+Oc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
+N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,TN
+Cn1cnc(c1c1ccccc1)[N+](=O)[O-],FP
+O=CC1C(=CCC2C1(C)CCC1C2(C)CCCC1(C)C)C=O,TN
+c1ccc2c(c1)oc1c2cccc1,FP
+CC(N1C(=O)c2ccccc2[N-]S1(=O)=O)C.[Na+],TN
+COc1nncc2c1cncc2,TN
+Nc1ccc(cc1Cl)c1cc(Cl)c(c(c1)Cl)N,TP
+N#CCc1ccc(cc1)Cl,TN
+[O-][N+](=O)c1ccc(cc1)O[C@@H]1OC1,TP
+COc1cc(Cc2cnc(nc2N)N)cc(c1OC)OC,FP
+C=C[C@@H]1C[C@@H]2C[C@H]1C=C2,TN
+CC(CCCCCCCOC(=O)C(=C)C)C,TN
+[O-][N+](=O)c1ccc2c(c1)c1cc([N+](=O)[O-])c(c(c1[nH]2)[N+](=O)[O-])O,TP
+CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)COS(=O)(=O)C)CC,TP
+OC1C=CC=CC1O,TP
+CC[C@H]([N+](=O)[O-])CO,TN
+O=C1C=CC(=O)c2c1c(O)ccc2,TP
+CCCCCCOC(=O)c1ccccc1,TN
+Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,TN
+COc1nsc2c1cc(cc2)[N+](=O)[O-],TP
+OC[C@H]([C@H](CO)O)O,TN
+Nc1cc2cccc3c2c2c1cccc2cc3,TP
+Cc1ccc(c(c1)C)NC(=O)C(C(=O)C)N=Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N=NC(C(=O)Nc1ccc(cc1C)C)C(=O)C,TN
+Nc1c2cc(C)ccc2nc2c1cc(C)cc2,TP
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)cc2c1CCCC2,TP
+Oc1cccc2c1ccc1c2ccc2c1cccc2,TP
+Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-],TP
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)cc(cc1)[N+](=O)[O-],TP
+COc1cc2nc3cc(N)ccc3nc2cc1N,TP
+COc1ccc2c(c1)C1CCCCC1C=C2,FN
+CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,TN
+CN(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])C,TP
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1Br,TP
+Cc1cc(ccc1/N=N/c1c(O)ccc2c1cccc2)/N=N/c1ccccc1C,TP
+Cc1cc(C)cc(c1)/N=N/c1c(O)ccc2c1cccc2,FP
+CC(=O)OCc1ccc(cc1)[N+](=O)[O-],FN
+ONc1cccc(c1)c1ccccc1,FP
+OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCc1cnc2c(n1)c(=O)nc([nH]2)N,TN
+C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
+Oc1cccc2c1c1cc3ccccc3cc1c1c2cccc1,FP
+CCN(c1ccc2c(c1)[o+]c1c(c2c2ccccc2C(=O)O)ccc(c1)N(CC)CC)CC,FN
+CNc1ccc(cc1)C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(cc1)N(C)C,FN
+c1ccc2-c3cc4c(nc3C3C(c2c1)O3)ccc1c4cccc1,FN
+O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,TN
+CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,TN
+CC(=O)OCC12CCC(=CC1OC1C3(C2(C)C(OC(=O)C)C1O)CO3)C,TN
+COc1ccc2c(c1)C1CCCCC1C1C2O1,TN
+CCOC(=O)c1[nH]c2c(c1/N=C/c1ccc(cc1)NC(=O)C)cccc2,TP
+NC(=O)[C@H]1CO1,TP
+N[C@H](C(=O)O)CS/C(=C/Cl)/Cl,TP
+CCn1c2ccc(cc2c2c1cccc2)N,TP
+OS(=O)(=O)OCc1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+CC(c1ccccc1)N(C)C,TN
+Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl,TN
+BrC[C@H](c1ccccc1)Br,FN
+COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,TN
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)O,TN
+Cc1ccc2c3c1CCc3c1c(c2)c2ccccc2cc1,TP
+c1ccc2c(c1)c1ccc3c4c1c1c2cccc1cc4C=C3,TP
+OC(=O)C1CC1,TN
+O=Nc1c(nc2n1cc(s2)C)c1ccc(cc1)[N+](=O)[O-],TP
+COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,TP
+O=C1CCCc2c1ccc1c2ccc2c1cccc2,TP
+CCOP(=O)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,TN
+CCCCOCCO,TN
+O=C(c1ccccc1O)Oc1ccccc1,TN
+COc1c(OC)cc2c3c1-c1ccccc1C(=O)c3ncc2,TP
+Fc1ccc(c2c1ccc1c2cccn1)F,TP
+Nc1ccc2c(c1/N=N/c1ccc(cc1)[N+](=O)[O-])cccc2,TP
+OC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)Cn1ccnn1,NA
+CC(=O)Nc1ccc2c(c1)cccn2,TP
+N#CC(/N=N/C(C#N)(C)C)(C)C,NA
+COc1cc(OC)nc(n1)Oc1cccc(c1C(=O)O)Oc1nc(OC)c(c(n1)OC)O,TN
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC.Cl.Cl,TP
+COc1cc(c(cc1N=Nc1c(O)ccc2c1ccc(c2)S(=O)(=O)O)C)S(=O)(=O)O,TN
+c1ccc2c(c1)c(OCC1CO1)ns2,TP
+CC1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,TN
+CNC(=O)ON,TP
+COc1ccc(cc1)CN(c1ccccn1)CCN(C)C,TN
+[O-][N+](=O)c1cccc2c1cc([N+](=O)[O-])c(c2)[N+](=O)[O-],TP
+CCCCCOC(=O)C=C,TN
+Cc1cnc2c(n1)c1nc(n(c1cc2C)C)N,TP
+CCN(c1ccccc1)CC,TN
+[O-][N+](=O)c1ccc2c(c1)cccc2,TP
+O/N=C/C1N(CCCN(C)C)C=CN1C,TN
+CC(CCCC(C1CCC2C1(C)CCC1C2CC2C3(C1(C)CCC(C3)O)O2)C)C,TP
+CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,TN
+Ic1cc2cccnc2c(c1)C(=O)O,TN
+Nc1ccc2c(c1)[n+](C)c1c(c2)cccc1,TP
+CN(c1ccc(cc1)N=Nc1ccc2c(c1)scn2)C,TP
+OCCOCCO,TN
CCNc1nc(Cl)nc(n1)NC(C)(C)C,TN
-Nc1nc(nc(n1)O)NC(C)(C)C,TN
-CCNc1nc(O)nc(n1)NC(C)(C)C,TN
-Nc1nc(nc(n1)Cl)NC(C)(C)C,TN
-Oc1nc2NC(C(n2c(=O)n1)O)(C)C,NA
-CC(Nc1nc(O)nc(n1)O)(C)C,TN
-Cn1c(O)nc(nc1=O)NC(C)(C)C,NA
-CCOC(=O)CC(C(=O)O)SP(=S)(OC)OC,TN
-COP(=S)(SC(C(=O)O)CC(=O)O)OC,TN
-CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)O,TN
-CNC(=O)Nc1ccc(cc1)Br,TN
-NC(=O)Nc1ccc(cc1)Br,TN
-CONC(=O)Nc1ccc(cc1)Br,TN
-COc1cc(O)nc(n1)NC(=O)N,TN
-OCC(c1ccc(cc1)NC(=O)N(C)C)C,TN
-O=C(N(C)C)Nc1ccc(cc1)C(O)(C)C,TN
-CC(c1ccc(cc1)NC(=O)N)C,TN
-CC(c1ccc(cc1)NC(=O)N(C)C)C(=O)O,NA
-ClCCP(=O)(O)O,NA
-OCCP(=O)(O)O,NA
-OC(=O)/C=C(\C=C\[C@@]1(O)C(=CC(=O)CC1(C)C)C)/C,NA
-[O-]Cl.[Na+],NA
-FS(=O)(=O)F,NA
+OCc1ccc2c(c1)c(CO)c1c(n2)c2ccccc2cc1,TP
+CC(=O)Nc1ccc2c(c1)c1c(C)c3cnccc3c(c1[nH]2)C,FP
+Cc1cn(CC(CN=N#N)O)c(=O)nc1OC,TP
+Cc1cccc2c1cc1c(c2)ccc2c1cccc2,TP
+O=C(NNC(=O)OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C,TN
+Oc1ccc2c(c1N)cccc2.Cl,FP
+Cc1ccc2c(c1)C(C)C1C(=Nc3c1cccc3)N2C,TP
+CCCCCCCCON(C(=O)c1ccccc1)OC(=O)C,TP
+[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,TP
+OC(=O)CCCCC(=O)O,TN
O=C1CCCC(=O)C1C(=O)c1ccc(cc1Cl)S(=O)(=O)C,TP
-OC(=O)c1ccc(cc1Cl)S(=O)(=O)C,TN
-COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1n2ccccc2nc1S(=O)(=O)CC,TN
-CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=N)N)cccc2,TN
-CCS(=O)(=O)c1nc2n(c1S(=O)(=O)NC(=O)NC(=O)N)cccc2,TN
-Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O,TN
-CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C,TN
-CCc1nn(c(c1Cl)C(=O)Nc1ccc(cc1)C(C(=O)O)(C)C)C,NA
-CCc1nn(c(c1Cl)C(=O)N)C,TN
-COP(=S)(Oc1c(Cl)cc(cc1Cl)C)OC,NA
-Cc1c(ccc(c1C1=NOCC1)S(=O)(=O)C)C(=O)c1c[nH]n(c1=O)C,NA
-OC(=O)c1ccc(c(c1C)C1=NOCC1)S(=O)(=O)C,NA
-Clc1ccc2c(c1)[n+]([O-])nc(n2)n1cncc1,NA
-COc1nc(C)nc(n1)N(C(=O)NS(=O)(=O)c1ccccc1C(=O)OC)C,TN
-COP(=O)(C(C(Cl)(Cl)Cl)O)OC,FP
-OC(=O)COc1nc(Cl)c(cc1Cl)Cl,NA
-CCCCOCCOC(=O)COc1nc(Cl)c(cc1Cl)Cl,TN
-CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1,NA
-CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,NA
-OC(=O)C(CC(=O)O)CC(=O)O,FP
-O=C(/C=C(/C1CC1)\O)CC(C(=O)O)CC(=O)O,NA
-O=C(c1c(O)cc(cc1O)C(=O)O)C1CC1,NA
-OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C,TN
-O[C@@H](C1/C(=C/c2ccc(cc2)Cl)/[C@@H](CC1(C)C)O)Cn1cncn1,NA
-OC1(Cn2ncnc2)/C(=C/c2ccc(cc2)Cl)/CCC1(C)C,TN
-COC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,TN
-OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,TN
-COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,TN
-OCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,TN
-ClCCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(n1)OC,TN
-COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)O,NA
-CCONC(=C1C(=O)CC(CC1=O)c1c(C)cc(cc1C)C)CC,NA
-COc1cc(OC)nc(n1)NC(=O)NS(=O)(=O)c1ncccc1S(=O)(=O)CC,TN
-CCS(=O)(=O)c1cccnc1S(=O)(=O)N,NA
-COc1cc(OC)nc(n1)N(c1ncccc1S(=O)(=O)CC)C(=O)N,NA
-CCO[C@H]1[C@@H](OC)[C@H](OC2C[C@@H]3[C@@H](C2)[C@@H]2C=C4C([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)O[C@H]2CC[C@@H]([C@H](O2)C)N(C)C)O[C@H]([C@@H]1OC)C,TN
-CCO[C@H]1[C@@H](OC)[C@H](O[C@@H]2C[C@@H]3[C@@H](C2)[C@@H]2C=C4[C@H]([C@@H]2CC3)CC(=O)O[C@@H](CC)CCC[C@@H]([C@H](C4=O)C)OC2CC[C@@H]([C@H](O2)C)NC)O[C@H]([C@@H]1OC)C,TN
-O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2CC[C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C(=O)[C@@H]1C,TN
-O=CN[C@H]1CC[C@@H](O[C@@H]1C)OC1CCC[C@H](CC)OC(=O)C[C@@H]2C(=C[C@@H]3[C@H]2C=C([C@H]2[C@H]3C[C@@H](C2)OC2O[C@@H](C)[C@@H]([C@H]([C@H]2OC)OCC)OC)C)C(=O)[C@@H]1C,TN
-NC1=C(Cl)C(=O)c2c(C1=O)cccc2,FP
-ClC(=C(Cl)Cl)CS(=O)(=O)O,NA
-COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc(n(c1=O)C)OC)C,TN
-COc1nn(c(=O)n1C)C(=O)NS(=O)(=O)c1c(C)scc1C(=O)O,TN
-COC(=O)c1csc(c1S(=O)(=O)N)C,NA
-COC(=O)c1csc(c1S(=O)(=O)NC(=O)n1nc([nH]c1=O)OC)C,TN
-O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F,NA
-FC(Oc1ccc(cc1)N)(F)F,FP
-O=C1OC(C(=O)N1Nc1ccccc1)(C)c1ccc(cc1)Oc1ccccc1,NA
-CCOC(=O)[C@H](Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C,TN
-Clc1ccc2c(c1)ncc(n2)Oc1ccc(cc1)OC(C(=O)OCC1CCCO1)C,TN
-O=CNc1ccc(c(c1)S(=O)(=O)NC(=O)Nc1nc(OC)cc(n1)OC)C(=O)N(C)C,TN
-N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)[C@@H](C(C)C)Nc1ccc(cc1Cl)C(F)(F)F,TN
+CCC/C=C/C(=O)O[C@@H]1C(C)(C)C[C@@H]2[C@]1(O)C=C(C=O)[C@@]13[C@@]2(C1)C(=O)O[C@@H]3O,TP
Nc1ccc(cc1Cl)C(F)(F)F,TN
-CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C,NA
-N#CC(C(C(C)C)Nc1ccc(cc1Cl)C(F)(F)F)c1cccc(c1)Oc1ccccc1,TN
-COc1ccc(cc1[O-])[N+](=O)[O-].[Na+],FP
-[O-][N+](=O)c1ccccc1[O-].[Na+],FP
-[O-]c1ccc(cc1)[N+](=O)[O-].[Na+],TN
-CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C,NA
-OC[C@H]1O[C@@H](OCc2ccc(cc2)NS(=O)(=O)N(C)C)C[C@@H]([C@@H]([C@@H]1O)O)O,NA
-Cc1ccc(cc1)N(S(=O)(=O)N(C)C)SC(Cl)(Cl)F,TN
-OCc1ccc(cc1)NS(=O)(=O)N(C)C,NA
-OCC1OC(Oc2cc(C)ccc2NS(=O)(=O)N(C)C)C(C(C1O)O)O,TN
-Cc1ccc(c(c1)O)NS(=O)(=O)N(C)C,TN
-O=C(CC(C)(C)C)OC1=C(C(=O)OC21CCCC2)c1c(C)cc(cc1C)C,NA
-CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC,NA
-CCC[N+](CC1COC2(O1)CCC(CC2)C(C)(C)C)(CC)[O-],NA
-O=C(C1(C)CCCCC1)Nc1ccc(c(c1Cl)Cl)O,NA
-CCOC(=O)OC1=C(C(=O)NC21CCC(CC2)OC)c1cc(C)ccc1C,NA
-COC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,TN
-OC1CCC2(CC1)NC(=O)C(C2=O)(O)c1cc(C)ccc1C,TN
-OC1CCC2(CC1)NC(=O)C(C2O)(O)c1cc(C)ccc1C,NA
-COC1CCC2(CC1)NC(=O)C(C2O)c1cc(C)ccc1C,NA
-Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,TN
-Clc1cc(cnc1Nc1c(cc(c(c1[N+](=O)[O-])O)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,FN
-Clc1cc(cnc1Nc1c(cc(c(c1N)Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F,TN
-CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1,TN
-O=C1NC(=O)N[C@@]1(C)c1ccccc1,NA
-O=C1N[C@@](C(=O)N1Nc1ccccc1)(C)c1ccccc1,NA
-CSC1=N[C@@](C(=O)N1)(C)c1ccccc1,NA
-CCOC(=O)NCCOc1ccc(cc1)Oc1ccccc1,NA
-CCOP(=O)(Oc1ccc(c(c1)C)SC)NC(C)C,TN
-CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C,NA
-CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C,TN
-O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)I)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,TN
-O=C(c1ccccc1C(=O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F)NC(CS(=O)(=O)C)(C)C,TN
-O=C(c1cccc(c1C(=O)NC(CS(=O)(=O)C)(C)C)O)Nc1ccc(cc1C)C(C(F)(F)F)(C(F)(F)F)F,TN
-N#CCNC(=O)c1cnccc1C(F)(F)F,TN
-OC(=O)c1cnccc1C(F)(F)F,TN
-NC(=O)c1cnccc1C(F)(F)F,TN
-O=C(c1cnccc1C(F)(F)F)NCC(=O)O,TN
-O=C(c1cnccc1C(F)(F)F)NCC(=O)N,TN
-Oc1ncc(c(c1)C(F)(F)F)C(=O)O,TN
-CO/N=C(\c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)/C1=NOCCO1,NA
-CO/N=C(\c1ccccc1Oc1ncnc(c1F)O)/C1=NOCCO1,TN
-CC(Cc1ccc(cc1)C(C)(C)C)CN1CCCCC1,TN
-CC(C[N+]1([O-])CCCCC1)Cc1ccc(cc1)C(C)(C)C,NA
-Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1,TN
-Clc1ccc(c(c1)Cl)n1c(=O)[nH]c2c(c1=O)cc(cc2)F,NA
-C#CCN1C(=O)COc2c1cc(c(c2)F)N1C(=O)C2=C(C1=O)CCCC2,NA
-Cc1cnc2c(c1)ccc(c2C(=O)O)Cl,TN
-OC(=O)c1c(Cl)ccc2c1nc(O)c(c2)C,TN
-OC(=O)c1cnc2c(c1)ccc(c2C(=O)O)Cl,FN
-N#CN=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,TN
-NC(=O)N=S(=O)(C(c1ccc(nc1)C(F)(F)F)C)C,NA
-CC(c1ccc(nc1)C(F)(F)F)O,TN
-CCc1ccc(nc1)C(F)(F)F,TN
-CC(S(=O)(=N)C)c1ccc(nc1)C(F)(F)F,TN
-CC(S(=O)(=O)C)c1ccc(nc1)C(F)(F)F,NA
-ClCC1CN(C(=O)C1Cl)c1cccc(c1)C(F)(F)F,NA
-CNC(=O)Oc1cccc(c1)N=CN(C)C.Cl,TN
-c1coc(c1)c1nc2c([nH]1)cccc2,NA
-CCOC(=O)[C@H](Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,TN
-CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,TN
-CCCCCCC(OC(=O)COc1nc(F)c(c(c1Cl)N)Cl)C,NA
-[O-]P(=O)([O-])[O-].[Fe+3],NA
-Cn1nc(c(c1)C(=O)Nc1ccccc1C1CC1C1CC1)C(F)F,TN
-CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,NA
-Clc1cc(cnc1CCNC(=O)c1ccccc1C(F)(F)F)C(F)(F)F,NA
-C[C@@H]1N(C(=O)NC2CCCCC2)C(=O)S[C@H]1c1ccc(cc1)Cl,TN
-C[C@@H]1N(C(=O)N)C(=O)S[C@H]1c1ccc(cc1)Cl,TN
-O=C1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,TN
-O[C@H]1CCCC[C@@H]1NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,TN
-O[C@@H]1CC[C@H](CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,TN
-OC1CCCC(C1)NC(=O)N1C(=O)SC(C1C)c1ccc(cc1)Cl,TN
-C[C@@H]1NC(=O)S[C@H]1c1ccc(cc1)Cl,TN
-O[C@@H]1CC[C@@H](CC1)NC(=O)N1C(=O)S[C@H]([C@@H]1C)c1ccc(cc1)Cl,TN
-O=C1CCC(CC1)NC(=O)N1C(=O)S[C@@H]([C@H]1C)c1ccc(cc1)Cl,TN
-N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl,TN
-Clc1ccc(cc1)[C@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,TN
-Clc1ccc(cc1)[C@@H]1OC(=O)[C@@](C1)(Cn1cncn1)c1ccccc1,TN
-COc1nc(nc(c1)OC)[N-]C(=O)NS(=O)(=O)c1nc(ccc1C(=O)OC)C(F)(F)F.[Na+],TN
-COc1cc(OC)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,TN
-COc1cc(O)nc(n1)n1c(=O)[nH]c(=O)c2c1nc(cc2)C(F)(F)F,TN
-OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,TN
-COC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,TN
-CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
-Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)C,TN
-O=C(c1ccc(cc1)C(=O)O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
-CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)CO,TN
-O=C(c1ccc(cc1)C(=O)C)NN(C(C)(C)C)C(=O)c1cc(cc(c1)C(=O)O)C(=O)O,NA
-OC(=O)Cc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C,TN
-Cc1cc(C)cc(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc(cc1)C(O)C,TN
-CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C=O,TN
-O=C(C1C(C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1c(F)c(F)c(c(c1F)F)C,TN
-N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
-N#Cc1nn(c(c1SC(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
-N#Cc1nn(c(c1S(=O)(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
-N#Cc1nn(c(c1C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
-N#Cc1nn(c(c1S(=O)(=O)O)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
-OC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
-NC(=O)c1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F,TN
-Cc1cc(=O)[nH]o1,NA
-OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl,TN
-Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O,NA
-C=CCSC(=O)n1c(N)c(c(=O)n1C(C)C)c1ccccc1C,FP
-Cc1ccccc1c1c(N)[nH]n(c1=O)C(C)C,FP
-OC(=O)[C@H](Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,TN
-COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C,TN
-O=c1[nH]cc(cc1Cl)C(F)(F)F,TN
-Cn1cc(cc(c1=O)Cl)C(F)(F)F,TN
-COC(=O)c1cccc(c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(n1)N(C)C)C,NA
-Nc1nc(OCC(F)(F)F)nc(n1)N(C)C,TN
-CNc1nc(OCC(F)(F)F)nc(n1)N,TN
-FC(COc1nc(N)nc(n1)N)(F)F,TN
-O=C1NS(=O)(=O)c2c1cccc2C,TN
-NCP(=O)(O)O,NA
-CNC1=C(c2cccc(c2)C(F)(F)F)C(=O)C(O1)c1ccccc1,NA
-OC(=O)C(F)(F)F,NA
-CSC(=NOC(=O)N(SN(C(=O)ON=C(SC)C)C)C)C,TN
-OC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)[C@@]1(C)Cn1ccnn1,NA
-Oc1cc2O[C@@H](Cc2c2c1c(=O)c1c(n2C)cccc1)[C@@]1(C)CO1,TP
-C[C@H]1CCC[C@@]2([C@]1(O)CCCC2)C,TN
-COC1=CC(=O)c2c(C1=O)ncc1c2[nH]c2c1cncc2,TP
-N1[C@@H]2[C@H]1c1cscc1-c1c2csc1,TP
-CCCC[C@H](COC(=O)COc1ccc(cc1Cl)Cl)CC,TN
-CCN(CC#CC(OC(=O)[C@@](c1ccccc1)(C1CCCCC1)O)(C)C)CC.Cl.O,TN
-F[C@H](C(C(Cl)(F)F)(F)F)Cl,TN
-Nc1cc(N)c(cc1/N=N/c1ccccc1)C,TP
-Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,TP
-C[C@@H]([C@@H](Cc1ccc(c(c1)O)O)C)Cc1ccc(c(c1)O)O,TN
-OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,TN
-OC(=O)COc1ccc(cc1Cl)Cl.OCCNCCO,TN
-C[C@H]1CCCC(=O)CCC/C=C/c2c(C(=O)O1)c(O)cc(c2)O,TN
-OC(=O)CC[C@@H](C(=O)O)N.[K+].O,TN
-Cc1nccc2c1[nH]c1c2cccc1.Cl,TP
-O=NN1CCO[C@H](C1)O,TP
-O1CCO[C@@H]2CCCC[C@H]2OCCOCCO[C@H]2[C@H](OCC1)CCCC2,TN
-COc1cc(ccc1/N=N/c1c(O)c2ccc(cc2cc1S(=O)(=O)O)N)c1ccc(c(c1)OC)/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O,TP
-CC([C@H]1c2cc(C(=O)C)c(cc2C([C@@H]1C)(C)C)C)C,TN
-CO[C@H]1[C@@H](N)C[C@@H](O[C@H]1C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,TP
-CN1CCN(CC1)C1=CC(=O)c2c(C1=O)c1[nH]c3c(c1c(n2)C)cccc3,TP
-O=C1c2ccccc2C(=O)c2c1ccc(c2O)C,TP
-C[C@H]1OC(=O)c2c(C1)ccc(c2O)C(=O)N[C@H](C(=O)O)Cc1ccccc1,TN
-CCCC[C@H]1CO1,TN
-O=C1[C@@H]2O[C@@H]2[C@@H]2c3c1c1=C(O)C=C[C@H]4c1c(c3=C(C=C2)O)C(=O)[C@H]1[C@@H]4O1,NA
-COc1ccc(cc1N)N,TP
-OC[C@@H]([C@H]1OC(=O)C(=C1O)O)O.[Na+],TN
-[O-][N+](=C1CCCC1)[O-],NA
-CCN1CCN(C(=O)C1=O)C(=O)N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)c1ccccc1.[Na+],TN
-O[C@H]1[C@H](O)[C@@H]2O[C@@H]2c2c1ccc1c2nc2c(c1)ccc1c2cccc1,TP
-O[C@@H](COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C,TN
-OC(=O)[C@H](CC(=O)c1cccc(c1N)O)N,TN
-NCC[C@H](N)C,TN
-Nc1nc(C)c2c(c1)[nH]c1c2cccc1,TP
-OC(=O)[C@H]1N[C@@H](C)c2c(C1)c1ccccc1[nH]2,TN
-C/C=C/C=O,TP
-Nc1ccc2c(c1)cc1c([n+]2C)cccc1.Cl,TP
-CCCCNCCCNCCCNC(=O)c1csc(n1)c1csc(n1)CCNC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]([C@@H]([C@H](NC(=O)[C@H]([C@H](c1nc[nH]c1)O[C@@H]1O[C@@H](CO)[C@@H]([C@@H]([C@@H]1O[C@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O)O)O)NC(=O)c1nc(nc(c1C)N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C)O)C,TP
+Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,TP
+Nc1ccc2c(c1N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(N)ccc3c1c(O)cc(c3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,TP
+OCc1ccc(o1)C=O,FN
+Cc1ccc(cc1)C,TN
+OCc1cc(ccc1O)C(=O)CN(C(C)(C)C)Cc1ccccc1.Cl,FN
+CCCCCCC(OC(=O)C)C/C=C/CCCCCCCC(=O)OC,TN
+Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(c(c1)C(C)(C)C)O,TN
+COC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)O,TN
+CCCCCCCCC(=O)OCC=C,TN
+Clc1cc(O)c(c(c1)Cl)Cl,TN
+Oc1ccc(c2c1c(=O)c1c(o2)cc2c(c1O)[C@@H]1C=CO[C@@H]1O2)CCC(O)(C)C,TP
+COc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
+OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C,TN
+CCCCOc1ccc(cc1)/C=N/c1ccc(cc1)CC,TP
+ONC(=O)c1ccc2c(c1)cccc2,TP
+[O-][N+](=O)c1ccc2c(c1)/c(=N/C(=O)c1ccccc1[N+](=O)[O-])/sn2C(=O)c1ccccc1[N+](=O)[O-],TP
+CCN(CCn1nc2-c3ccc(cc3Sc3c2c1ccc3CO)Cl)CC,TP
+Sc1[nH]cnc2-c1ncn2,TP
+COc1ccc2-c3nccc4c3c(C(=O)c2c1)c(OC)c(c4)OC,TP
+CC(CC(C(=O)O)NC(=O)COc1ccc(cc1Cl)Cl)C,TN
+O=NN1CCCCCCCCCCCC1,TP
+CCCCOC(=O)COc1cc(Cl)c(cc1Cl)Cl,TN
+CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC,TN
+[O-][N+](=O)c1ccc2c(c1)c1cc(ccc1o2)[N+](=O)[O-],TP
+Cc1cccc(c1N)C,FP
+OC(=O)[C@H](CC[S@](=O)(=N)C)N,TN
+[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1,TP
+OCCCCN(N=O)C,TP
+C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3,TN
+COCCOc1cccc2c1c(=O)c(nn2c1ccc(cc1)Cl)C(=O)O,TN
+Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,TP
+ClCc1ccc(cc1)OC(=O)C,FN
+CNC(=O)ON(C(=O)NC)C(=O)NC,FP
+Fc1cnc2c(c1)ccc1c2cccc1,FP
+CC(C[C@@H]1NC(=O)CNC1=O)C,TN
+Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],TN
+c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,TP
+OC[C@H]1O[C@@H](Oc2cc(O)cc3c2c(=O)c2c(o3)c(O)ccc2O)[C@@H]([C@H]([C@@H]1O)O)O,TP
+[O-][N+](=O)c1c(C)cccc1[N+](=O)[O-],TP
+Nc1ccc2c(c1)nc1c(n2)cc(cc1)N,TP
+O=CC1=CC[C@H](CC1)C(=C)C,TN
+CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-],TN
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CCOc1ccc(cc1)/N=[N+](/c1ccc(cc1)OCC)\[O-],FP
-O=CC1=C[C@]2(O)CC(C[C@@H]2[C@H](C=C1C=O)C)(C)C,TP
-c1ccc2c(c1)c1ccc3c4c1c(c2)ccc4ccc3,TP
-Nc1ccc(c(c1)C)N,TP
-COc1ccc(c(c1)/N=N/c1c(O)ccc2c1cccc2)OC,TP
-CN(c1ccc(cc1)/N=N/c1cccc2c1cccc2)C,TP
-O=c1[nH]c(=O)n(cc1F)[C@H]1CCCO1,TN
-O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)COc1ccccc1.[K+],TN
-OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P@@](=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(nc1=O)N)O)O)n1cnc2c1ncnc2N,TN
-c1ccc2-c3ccc4c(c3[C@@H]3[C@H](c2c1)O3)cccc4,TP
-Br[C@H]([C@H](Br)C)CO[P@](=O)(OC[C@@H]([C@H](Br)C)Br)OC[C@@H]([C@H](Br)C)Br,TP
-OC[C@H]1O[C@H](C(=O)[C@@H]1O)n1cnc2=C(NCN=c12)N,NA
-OC(=O)C[C@H](C(=O)O)O,NA
-C=CCc1ccccc1OC[C@@H](CNC(C)C)O,TN
-O=C(Cc1cnc(nc1N)C)N/C(=C(/SC(=O)c1ccccc1)\CCOC(=O)c1ccccc1)/C.Cl,NA
-OC(=O)/C=C\C(=O)O.[Na+].[Na+],TN
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+ClCCCC(=O)/N=c/1\sn(c2c1cccc2)C(=O)CCCCl,TN
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+CCCCC(COC(=O)COc1ccc(cc1Cl)Cl)CC,TN
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+ClCC12C(Cl)C(C(C2(CCl)CCl)CC1(Cl)Cl)Cl,TN
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+Clc1cc(Cl)c(c(c1Cl)Cl)Cl,TN
+CC(=O)Nc1cc2Cc3c(-c2cc1Cl)cccc3,TP
+Fc1ccc2c(c1)nccc2,TP
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+CCCN(C(=O)NC=O)CCOc1c(Cl)cc(cc1Cl)Cl,TN
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+CCCCCCCCCCCCCCCCCCN,TN
+[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[OH-].[OH-],TN
+Oc1ccc2c(c1)c1ccccc1c1c2cc2ccccc2c1,TP
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+CCNc1nc(NC(C)C)nc(n1)Cl,TN
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+O=C1C=Cc2c(C1=O)ccc1c2cc2ccccc2c1,FP
+OC(=O)c1ccccc1.[Na+],TN
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+CCCCCCCCCCCC(=O)C,TN
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+Clc1ccc2c(c1)nc1c(n2)cc(c(c1)N)N,TP
+COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C,TN
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+CC(CC(c1ccccc1NC(=O)c1c(C)nn(c1F)C)C)C,TN
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+Brc1ccc2c(c1)C=CC1C2CCCC1,TN
+N/N=c/1\sc2c(n1C)cccc2,FN
+CCCC[C@H]1CO1,TN
+c1cc(OC[C@H]2CO2)c2c(c1)cns2,TP
+Oc1ccc(c(c1Cl)Cl)Cl,TN
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+COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,TN
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+Oc1c(N=Nc2ccc(c3c2cccc3)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O,TN
+CCCCOC(=O)C(=C)C,TN
+CC(=O)Oc1c(OC(=O)C)c2c(ccc3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],TP
+Cc1c(C)c2ccccc2c2c1c(Cl)c1ccccc1n2,TP
+C=C1CC23CC1CCC3C1(C(CC2)C(C)(CCC1)C(=O)O)C,TN
+ClCCN(CCCNc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)CC,TP
+[O-][N+](=O)c1ccc(o1)/C=C(/C(=O)OC)\C,TP
+Nc1nc2c(n1C)ccc1c2nccc1,TP
+Nc1cc(C)c(c(c1C)[N+](=O)[O-])N,TP
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+N[C@@H](c1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C,TN
+ClCc1cc2cc3ccccc3c3c2c2c1cccc2cc3,TP
+COC(=O)[C@@H]1c2cc3c(c(c2[C@@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)cccc1O,TP
+O=c1nc[nH]c2c1cccc2,FP
+OC(=O)c1cccc(c1Cl)Cl,TN
+Oc1ccc2-c3c4c(-c2c1)ccc1c4c2c(c3)cccc2cc1,TP
+CSC(/C=N\O)(C)C,TN
+ClCC(=O)N(c1snc2c1cccc2)C,TN
+CC/C(=C(\c1ccc(cc1)O)/CC)/c1ccc(cc1)O,TN
+NCC(=O)Nc1ccccc1.Cl,FN
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+CC(CC(=O)/N=c/1\sn(c2c1cc(cc2)[N+](=O)[O-])C(=O)CC(C)C)C,TP
+[O-][N+](=Nc1ccc2-c3c(Cc2c1)cccc3)c1ccc2-c3c(Cc2c1)cccc3,TN
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(c1ccccc1)c1ccccc1,TN
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+CC(=O)N[C@H](C(=O)O)CS/C(=C(/C(=C(Cl)Cl)Cl)\Cl)/Cl,TP
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+CNC(=O)Nc1ccc(cc1)C(C)C,TN
+CCN/N=N/CC,NA
+O[C@@H]1C=Cc2c([C@H]1O)cc1c(c2)cc(cc1)[N+](=O)[O-],TP
+C#CC1(CCC2C1(C)CCC1C2CCC2=CC(=O)CCC12C)OC(=O)C,TN
+OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(O)nc2c1nc(N)[nH]c2=O,TN
+COc1c2cccc(c2nc2c1cco2)O,TP
COC(=O)/C(=C\c1ccc(o1)[N+](=O)[O-])/[N+](=O)[O-],TP
-CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C)C)C,FP
-ON1c2ccccc2C(=O)[C@@]1(C)c1ccccc1,NA
-c1ccc(cc1)CN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
-O[C@H]1[C@H](O)c2ccc(c3c2c2c1cccc2c1c3cccc1)[N+](=O)[O-],TP
-Cl[C@@H](c1ccccc1)C(=O)NCc1ccccc1,NA
-O(C[C@@H]1OC1)CCOC[C@@H]1OC1,TP
-OC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
-N#CC(/N=N/C(C#N)(C)C)(C)C,NA
-CCC(=O)O.[Na+],TN
-CN(c1c(C)n(n(c1=O)c1ccccc1)C)CS(=O)(=O)O.[Na+].O,TP
-Br[C@H]1[C@H](Cl)[C@H](Br)[C@@H]([C@H]([C@H]1Br)Br)Br,NA
-Cl[C@H]1O[C@H]1CBr,TP
-CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](CN([C@@H]([C@@H]([C@]1(C)O)O)C)C)C)(C)O,TN
-CNP1(=NP(=NP(=N1)(NC)NC)(NC)NC)NC,NA
-CCOS(=O)(=O)C,TP
-OC(=O)[C@H](CC[S@](=O)(=N)C)N,TN
-[N-]=[N+]=CC(=O)NCC(=O)NN,TP
+Fc1cccc(c1NS(=O)(=O)c1nn2c(n1)c(F)cnc2O)F,NA
+CSCCC(C(=O)O)N,TN
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+Oc1ccc2c(c1)c1ccc3c(c1cc2)cccc3,TP
+[O-][N+](=O)c1cccc(c1)/C=N/c1snc2c1cccc2,TP
+c1ccc(cc1)c1ccc(cc1)CC[C@@H]1OC1,TP
+ClCC(=O)Nc1snc2c1cc(Cl)cc2,TP
+N#Cc1ccc(cc1)C1(C)OC1,TP
+CN(c1ccc(cc1)N=Nc1cccc2c1cccc2)C,TP
+CC(=O)N(c1ccccc1C)O,FN
+CCCCOC(=O)CCCCCCCCC(=O)OCCCC,TN
+[O-][N+](=O)c1oc2c(c1)cc1c3c2ccc2c3c(cc1)ccc2,TP
+CN(CCCNc1c2ccccc2nc2c1c(ccc2Cl)[N+](=O)[O-])C,TP
+c1ccc(cc1)c1ccccc1OCC1CO1,TP
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl,TP
+Nc1ccc2c(c1)nc(c(n2)C)C,TP
+COC1=CC(=O)c2c(C1=O)[nH]cc1-c2nc2c1CCCC2,TP
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+O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C,TN
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+OC[C@H]1O[C@H](C[C@@H]1O)n1cc(I)c(=O)[nH]c1=O,TN
+O=C([C@H]1CN(C)[C@@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@@]1(C)O[C@]2(N(C1=O)[C@H](Cc1ccccc1)C(=O)N1[C@@H]2CCC1)O,TN
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+CCCC[C@H](COC(=O)c1ccc(cc1)C(=O)OC[C@@H](CCCC)CC)CC,TN
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+Clc1ccc(cc1)C(Cl)(Cl)Cl,FN
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+Nc1ccc(c(c1)N)N=Nc1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)O)N=Nc1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)N=Nc1c(O)c2cc(N=Nc3ccc(cc3N)N)ccc2cc1S(=O)(=O)O,TP
+CC(=O)ON(c1ccccc1C)C(=O)C,FP
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+Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O,TP
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+CC1CN(C)C2C(C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,FP
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+COC(=O)/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C)/C)/C,FP
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CC(=O)Nc1cccc(c1)N,TP
-Nc1cccc(c1C)N.Cl.Cl,TP
-OC(=O)[C@H](Cc1c[nH]c2c1cc(O)cc2)N,TN
-[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])F,TP
-COC1=CC(=O)c2c(C1=O)nc(c1c2[nH]c2c1cncc2)C,TP
-CC/C=C/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,TP
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-CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,TP
-[O-][N+](=O)c1cccc2c1[nH]nc2,TP
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-O=C(N[C@H](C(=O)O)CC(=O)O)COc1ccc(cc1Cl)Cl,TN
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-[O-][N+](=O)c1cccc(c1C)/N=[N+](/c1cccc(c1C)[N+](=O)[O-])\[O-],FP
-Cc1ccc(c(c1)C)/N=N/c1c(O)ccc2c1cccc2,TP
-c1ccc2-c3c4c(-c2c1)cccc4ccc3,TP
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-ClCCN([P@]1(=O)OCCCN1CCCl)CCCl,TP
-OCCN(c1ccc(cc1)/N=N/c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCO,TP
-ONc1nc(N)nc2c1nc[nH]2,TP
-OC(=O)C/C(=C\C(=O)O)/C(=O)O,TN
-O=NN(C)C,NA
-CNC(=O)O/N=C/C(SC)(C)C,TN
-O=Cc1c2ccccc2cc2c1cccc2,FP
-OS(=O)(=O)O.COc1ccc(cc1N)N,TP
-CCCCCN(C(=O)[C@@H](NC(=O)c1ccc(c(c1)Cl)Cl)CCC(=O)O)CCCOC,TN
-CCc1c2ccc3c(c2cc2c1cccc2)[C@@H]1O[C@@H]1[C@@H]([C@H]3O)O,TP
-[O-][N+](=O)[C@@H](CC)C,TN
-O=C1CC[C@H](N1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1nc[nH]c1,TN
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-OC[C@H]1O[C@@H](O[C@@]23C=C(C)C4([C@]([C@@H]3C(=O)C(C2)(C)C)(C)O)CC4)[C@@H]([C@H]([C@@H]1OC(=O)/C=C/c1ccc(cc1)O)O)OC(=O)C,TP
-Oc1ccc(cc1)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[Na+].[Na+],TP
-N[C@@H]1CCC[C@H](C1)N,TN
-O=C1c2ccccc2N/C/1=C\1/Nc2c(C1=O)cccc2,NA
-C1CCC(CC1)[N@@]1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
-Cl[C@@H](C=C)CCl,NA
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-BrC[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,TP
-C/N=N/O.[K+],TP
-CN(c1ccc(cc1)/N=N/c1ccc2c(c1)scn2)C,TP
-C/C(=C\C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C)/CC/C=C(\CCC=C(C)C)/C,TN
-O[C@H]([C@H](C(=O)O)O)C(=O)O.[Na+].[Na+],TN
-OS(=O)(=O)c1cc2ccc(c(c2c(c1)S(=O)(=O)O)/N=N/c1ccc(cc1C)c1ccc(c(c1)C)/N=N/c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)O.[Na+].[Na+],FN
-C=CS(=O)(=O)C,NA
-CC(C[C@H](O)C)C,NA
-COC(=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
-O=C/C=C/c1ccccc1,FP
-Brc1ccccc1c1ccccc1,FP
-COc1ccc(cc1)CNC(=O)[C@H](Br)C,TP
-CSCC[C@@H](C(=O)O)NC(=O)COc1cc(Cl)c(cc1Cl)Cl,TN
-Cc1cc(ccc1N)/N=N/c1ccccc1C,TP
-[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2)C(=O)O)cccc1,TP
-OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+].O,TN
-C[C@]1(OC1)c1ccccc1,TP
-C[C@@H]1c2ccccc2-c2c1cc(C)c(c2)C,TP
-CCCCCC[C@@H]1OC1,TN
-O=C1C=CC(=[N+]=[N-])C=C1,NA
-COC1(CCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1S[C@H]1C2,TN
-CN(/N=N/c1ccc(cc1)[N+](=O)[O-])C,TP
-OC[C@H](COP(=O)(O)O)O.[K+].[K+],TN
-COc1cc(ccc1O)C[C@H]1CO1,TP
-N[C@H](C(=O)O)CS/C(=C(/C(Cl)(Cl)Cl)\Cl)/Cl,TP
-O[C@H]1C=CC=C[C@@H]1O,TP
-CC/N=N/O.[K+],TP
-OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](N)C[C@@H](O2)C)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC,TP
-CC(=O)OCc1ccc(cc1)/N=N/c1ccc(cc1)COC(=O)C,TP
-C1COCCO[C@@H]2CCCC[C@H]2OCCOCCOCCO[C@H]2[C@H](OCCO1)CCCC2,TN
-CCCCCCCCCCCCCC[N+](Cc1ccccc1)(C)C.Cl,TN
-O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,TN
-CCc1cc2ccccc2c2c1c1[C@@H]3O[C@@H]3[C@@H]([C@H](c1cc2)O)O,TP
-NC[C@@H](C(=O)N[C@@H]1C[C@@H](N)[C@H]([C@@H]([C@H]1O[C@H]1OC[C@]([C@@H]([C@H]1O)NC)(C)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O,NA
-C[C@H]1CN(C)[C@H]2[C@H](C1)c1cc(Br)cc3c1c(C2)cn3CC1CC1,FP
-OS(=O)(=O)O.OC[P+](CO)(CO)CO,FP
-Fc1ccc2-c3c(-c4c2c1ccc4)c1ccccc1cc3,TP
-Oc1ccc2c(c1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],TN
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-O=C1OC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(OC(=O)C)C(=O)C)C)Cl)C,TN
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-O=C(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,TN
-OS(=O)(=O)O.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N,TP
-CCCCCCCCCCSCn1cc[n+](c1)C.Cl,FN
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Nc1c2ccccc2nc2c1cccc2,TP
-CC(=O)[C@H](C(=O)Nc1ccccc1)/N=N/c1ccc(cc1Cl)c1ccc(c(c1)Cl)/N=N/[C@@H](C(=O)Nc1ccccc1)C(=O)C,TN
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-[O-][N+](=O)CC,NA
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-O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C.Br,TN
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-[O-]/[N+](=N\c1ccc2-c3c(Cc2c1)cccc3)/c1ccc2-c3c(Cc2c1)cccc3,TN
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-O=CCC=O,NA
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-O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,TN
-CCOC(=O)O[C@H](c1ccnc2c1cc(OC)cc2)[C@@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C,TN
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-O[C@@H]1C[C@@]2(C)[C@H]([C@]([C@@H]1O)(C)C(=O)O)CC[C@@]1([C@@H]2CC=C2[C@]1(C)CC[C@]1([C@H]2CC(C)(C)CC1)C(=O)O)C,TN
-CN(CCN(c1ccccn1)Cc1cscc1)C.Cl,TN
-Cc1ccc(cc1/N=[N+](/c1cc(ccc1C)[N+](=O)[O-])\[O-])[N+](=O)[O-],FP
-c1ccc2c(c1)cc(cc2)OC[C@H]1CO1,TP
-O=C1c2cc3ccccc3cc2-c2c1cccc2,FN
-CNc1ccc(cc1)/N=N/c1ccccc1,FN
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-C[C@@H](c1ccccc1)Br,TN
+O=c1[nH][nH]c(=O)c2c1cccc2,TN
+Nc1ccccc1c1ccccc1,TP
+Nc1ccc2c(c1)cc1c(n2)cccc1,TP
+Nc1cccc2c1ccc1c2cccc1,TP
+OCCN(C(=O)OCC)N=O,TP
+c1ccc2-c3cc4ccccc4cc3C3C(c2c1)O3,TP
+Cc1ccc(c(c1)S(=O)(=O)O)N=Nc1c(O)ccc2c1cccc2,TN
+CC(=C)[C@@H]1CC=C([C@H](C1)O)C,TN
+[O-][N+](=O)C1=Cc2c3c1cccc3c1c(c2)cc2c(c1)cccc2,TP
+O=NN1CCCN(CC1)N=O,TP
+C[C@@]1(CO1)[C@H]1CO1,TP
+[O-][N+](=O)c1ccccc1C,FP
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+Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H]([C@@H]3[C@H]3[C@@H]([C@@H]1C(=C1[C@@]43C(=O)c3c(C1=O)c(O)cc(c3)C)O)O)O)C2=O,TN
+O=C1NC(=O)N(C1)/N=C/C=C/c1ccc(o1)[N+](=O)[O-],TP
COc1cc(CNC(=O)[C@H](Br)C)ccc1O,TP
-OC(=O)c1ccccc1.[Na+],TN
-OC(=O)[C@@H]1CC(N(C1(C)C)O)(C)C,TN
-Cc1ccc2c(-c3ccccc3[C@H]2C)c1,TP
-O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C)C,TN
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-[O-][N+](=O)c1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
-O=c1cn[nH]c(=O)[nH]1.OCCNCCO,TP
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-Nc1ccc2c(c1)oc1-c(c2c2ccccc2C(=O)O)ccc(=N)c1,TN
-c1ccc(cc1)c1ccc(cc1)C[C@H]1CO1,TP
-BrC[C@H](c1ccccc1)Br,FN
-CCC/N=N/O.[K+],NA
-NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C.Cl.O.O,NA
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-CCC(=O)c1c2cccc(c2c(c2c1cccc2O)O)O,TP
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-Nc1cccc2c1cccn2,TP
+C1CCC[C@H]2[C@@H](CC1)O2,TN
+C[C@H](CN(C[C@H](O)C)N=O)O,TP
+BrC(C(Br)C)COP(=O)(OCC(C(Br)C)Br)OCC(C(Br)C)Br,TP
+CC(c1ccc(c(c1)O)C)C,TN
+O=C(C(=C)C)OCC(COC(=O)C(=C)C)(C)C,TN
+Cc1c2ccccc2c(c2c1cccc2)COS(=O)(=O)O,TP
+Nc1c(N=Nc2ccc(cc2)c2ccc(cc2)N=Nc2cc(c3c(c2N)cccc3)S(=O)(=O)O)cc(c2c1cccc2)S(=O)(=O)O,TP
+Cc1ccc(cc1)N=Nc1c(O)ccc2c1cccc2,FP
+OC1C=Cc2c(C1O)ccc1c2cc2ccccc2c1[N+](=O)[O-],TP
+Cc1c2C3NC3c3c(-c2c(c2c1cccc2)C)cccc3,TP
+O=C/C=C/c1ccccc1Cl,FN
+Nc1ccc(cc1)c1ccc(cc1)c1ccc(cc1)c1ccc(cc1)N,FP
+O[I](=O)(=O)=O.NCC(=O)NCC(=O)NCC(=O)NCC(=O)O,TN
+CC(=O)OC1Cc2c3c1cc1cccc4c1c3c(cc2)cc4,TP
+CCN(CCCC(=O)O)N=O,TP
+ON1c2ccccc2/C(=N\c2ccccc2)/C1(C)c1ccccc1,TN
+Cc1ccc2c(c1)c(C)c1c(-c3ccccc3C(C1O)O)n2,FP
+OC(=O)c1cc(O)c2c(n1)cccc2,FP
+O=C1CCc2c1c1ccc3c(c1c1c2CCC1)cccc3,FP
+OCc1ccc2c(c1)nc1c(c2C)ccc2c1cccc2,TP
+[O-][N+](=O)NC(=N)N(N=O)CCCCC,TP
+CNc1nc(nc(n1)O)NC(=O)NS(=O)(=O)c1ccccc1C(=O)OC,TN
+c1ccc2c(c1)c(ccc2)CC1CO1,TP
+CCCCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
+Clc1cc(Cl)c(cc1O)Cl,TN
+O=CC1C(=CCC2C1(C)C(OC(=O)C)CC1C2(C)CCC2C1(C)CCCC2(C)C)C=O,TN
+[O-][N+](=O)c1ccc2c3c1c1CCCCc1c1c3c(cc2)ccc1,TP
+COc1cc(OC)c2c(c1)oc1c(c2=O)cc(cc1)OC,TP
+O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,TN
+O=Cc1cccc(c1)c1ccccc1,TN
+c1cc2ccc3c4c2c(c1)ccc4cc1c3C=C[C@@H]2[C@H]1O2,TP
+[O-][N+](=O)c1ccc(o1)/C=N/N1CC(NC1=O)C,TP
+Br/C=C(\c1ccc(cc1Cl)Cl)/OP(=O)(OC)OC,TN
+c1ccc2c(c1)nc1c(c2)c2ccccc2c2c1cccc2,TP
+COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,TN
+C[C@@H]1CCc2c1ccc1c2ccc2c1cccc2,TP
+COC(=O)C12Oc3ccc(c(c3C(=C2C(=O)CC(C1O)C)O)O)c1ccc2c(c1O)C(=C1C(O2)(C(=O)OC)C(O)C(CC1=O)C)O,NA
+CCOC(=O)[C@@H](C(=O)C)Cl,TN
+CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],TN
+Oc1cccc2c1nccc2,FN
+CCN(c1ccc(c(c1)O)N=O)CC.Cl,TN
+O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1,TP
+[O-][N+](=O)c1ccc2c(c1)Oc1c(O2)ccc(c1)[N+](=O)[O-],TP
+OC1C=Cc2c(C1O)ccc1c2ccc2c1CCC2=O,TP
+OS(=O)(=O)O.Cc1ccc(cc1)[N+]#N,FN
+[O-][N+](=O)C1=Cc2c3c1cccc3cc1c2c2ccccc2cc1,TP
+OCC12OOC2(CO)Oc2c1cccc2,FP
+OCCNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,FP
+OC1C=Cc2c(C1O)cc1c3c2ccc2c3c(cc1)ccc2[N+](=O)[O-],TP
+[O-][N+](=O)c1c(N)cccc1O,FP
+CC(Cc1cc(N)cc(c1N)[N+](=O)[O-])O,FP
+CCc1ccc(nc1)C(F)(F)F,TN
+O=C(N(C)C)Nc1cccc(c1)C(F)(F)F,TN
+O=C1c2ccccc2-c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(-c3c(C1=O)cccc3)cc2,FN
+C[n+]1c2ccccc2cc2c1cccc2,TP
+O=C1C=C(N)c2c(C1=O)cccc2,TP
+Nc1cc2ccc3c4c2c(c1)ccc4ccc3,TP
+OCC1OC(OC2C(O)CC3(C(C2(C)C(=O)O)CCC2(C3CC=C3C2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)C(C(C1O)O)O,TN
+OCNc1ncnc2c1ncn2C1OC(C(C1O)O)CO,FN
+Oc1c(cccc1[N+](=O)[O-])[N+](=O)[O-],TN
+O=NN(Cc1cccc(c1)C)C,TP
+OCC(C(C(=O)NCCC(=O)O)O)(C)C,TN
+ClCCC(=O)N(c1snc2c1cccc2)CC,FN
+Nc1ccc(cc1C)NOS(=O)(=O)O,TP
+c1ccc2c(c1)ccc1c2nc2c(c1)ccc1c2cccc1,TP
+c1cc(cc(c1)c1ccccc1)c1ccccc1,FP
+COc1ccc(c(c1)OC)N,TP
+O=C1CCc2c1c(C)c(C)c1c2ccc2c1cccc2,TP
N[C@@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,TP
-COc1ccc(cc1)CC[C@@H]1OC1,TP
-Cc1ccccc1O.Cc1cccc(c1)O.Cc1ccc(cc1)O,TN
-O[C@@H]1[C@@H]2O[C@@H]2c2c([C@H]1O)ccc1c2nccc1,TP
-CO[C@@H]1OC(=O)C(=C1C(Cl)Cl)Cl,TP
-ClCCN([P@@](=O)(OCCC(=O)O)N)CCCl,TP
-COc1ccc(cc1)/C(=C\C(=O)O)/Br.[Na+],TP
-CC(=O)Nc1ccc(cc1)/N=N/c1ccc(cc1)N(C)C,TP
-O=CC1=C[C@@]2(O)CC(CC2[C@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,TP
-O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1Cl,TP
-O[C@H]1C=Cc2c([C@@H]1O)cc1c3c2ccc2c3c(cc1)ccc2,TP
-C[C@H]([C@H]1C(=O)N2[C@H]1SC(=C2C(=O)O)[C@H]1CCCO1)O.[Na+],NA
-S=C=NCCc1ccccc1,NA
-CC/C=C/C=C/C=C/C=C/OC[C@@H](CO)O,TP
-CC(C1=C/C(=C/C=C/2\C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)/C=C(C1=O)C(C)(C)C)(C)C,TN
-CC[C@]1(OCCc2c1[nH]c1c2cccc1[C@H](O)C)CC(=O)O,TN
-C=C1CC[C@H]2C[C@@H]1C2(C)C,TN
-C[C@H](CN(C[C@H](O)C)C[C@H](O)C)O.OC(=O)COc1ccc(cc1Cl)Cl,TN
-OC/C(=C(/CO)\Br)/Br,NA
-O[C@@H]1C=C[C@@H]2[C@H]([C@H]1O)O2,TP
-O=c1oc(c(o1)CN1CCN(CC1)c1cc2c(cc1F)c(=O)c(c1n2[C@H](C)S1)C(=O)O)C,FP
-N#Cc1ccc(cc1)[C@]1(C)OC1,TP
-CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,TP
-OC/C=C/Cl,NA
-Cn1sc(cc1=O)Cl.Cn1sccc1=O,TP
-c1ccc2c(c1)c(OC[C@H]1CO1)ns2,TP
-CN(c1ccc(cc1)/N=N/c1ccc(cc1)N(C(=O)C)C)C(=O)C,FP
-O1C[C@@H]1COc1ccc(cc1)Cc1ccccc1,TP
-CN(c1ccc(cc1)/N=N/c1ccccc1)CCC#N,TP
-O[C@@H]1C=Cc2c([C@H]1O)cc1c3c2-c2ccccc2-c3cc2c1cccc2,TP
-CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@H]1SCC(=C2C(=O)OCOC(=O)C(C)(C)C)/C=C\c1scnc1C,TN
-CC(=CCc1ccc(c2c1oc1cc3O[C@@H]4[C@@](c3c(c1c2=O)O)(O)C=CO4)O)C,TP
-CC(=O)OC/C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)/C)/C,TN
-O=CC1=C2CC(C[C@@H]2[C@H]([C@@]2([C@@]1(C=O)C2)C)O)(C)C,FN
-Nc1ccc(c(c1)N)C,TP
-COc1nsc2c1cc(OC[C@H]1CO1)cc2,TP
-Cc1cc(C)c(cc1/N=N/c1cc(c2c(c1O)cccc2)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+],TN
-Clc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
-[N-]=[N+]=CC(=O)NCC(=O)N,TP
-N#Cc1cc(c2ccncc2)c([nH]c1=O)C,TN
-CCOP(=O)(O/C(=C/Br)/c1ccc(cc1Cl)Cl)OCC,TN
-OC(=O)COc1ccc(cc1Cl)Cl.CNC,TN
-OC(=O)CN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Na+],TN
-COc1cc(ccc1OC)Cc1cnc(nc1N)N,FN
-CCOC(=O)CNC(=O)CCCCSc1ncnc2c1nc[nH]2,NA
-CCOCCOC(=O)/C=C/c1ccc(cc1)OC,TN
-C[C@@]1(CO1)[C@H]1CO1,TP
-NC(=O)[C@H]1CO1,TP
-NC(=N)N/N=C/1\C=C/C(=N\NC(=S)N)/C=C1,NA
-Cl[C@@H](c1ccccc1)C(=O)Cl,TP
-Nc1ccc(cc1)/N=N/c1ccc(cc1)N,TP
-OC/C=C(\CCC=C(C)C)/C,TN
-Clc1ccc(c(c1)C)N,TP
-OC(=O)[C@H](CSC(=C(Cl)Cl)Cl)N,TP
+Cc1ccc2c(c1)cccc2,FP
+c1ccc2-c3c4c(-c2c1)c1ccccc1cc4c1c(c3)cccc1,TP
+CS(=O)CCC(=O)N1C(CSC1c1ccccc1O)C(=O)O,TN
+Cc1ccc2c(c1)nc([nH]2)N,TP
+O[C@H]1C=Cc2c([C@@H]1O)ccc1-c3c4c(-c21)cccc4ccc3,TP
+COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC,TN
+FC(c1cccc(c1)CN1C2C1c1ccccc1-c1c2cccc1)(F)F,TP
+COc1cc(N)cc(c1N)OC,FP
+N#C/C=C\C#N,TN
+[O-][N+](=O)c1ccc2-c3cc4CCc5c(-c4cc3CCc2c1)cccc5,TP
+[O-][N+](=O)c1ccccc1C(=O)N,TP
+CC1=CC(C)(C)Nc2c1cccc2,TN
+SCC(C(=O)O)NC(=O)C(SC)(C)C,TN
+O[C@@H]1[C@@H](O)C=C2c3c1cccc3-c1c2ccc2c1cccc2,TP
+CCC/C=C(/C=O)\CC,TN
+[O-][N+](=O)c1cc(ccc1N)c1ccc(c(c1)[N+](=O)[O-])N,TP
+Cn1cnc2c1c(=O)[nH]c(=O)n2C,TN
+O=C1c2ccccc2-c2c(C1=O)c1ccccc1cc2,TN
+Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,TP
+[O-][N+](=O)c1cc2c(N)snc2cc1,TP
+Brc1cc2c(c(c1O)Br)Oc1c(C32OS(=O)(=O)c2c3cccc2)cc(c(c1Br)O)Br,FN
+[O-][N+](=O)c1ccc(c(c1)Cl)Cl,TP
+OCc1ccc2-c3c(-c4c2c1ccc4)cccc3,TN
+CCCCC(=C)C=O,FN
+[O-][N+](=O)c1ccc2c3c1-c1ccccc1-c3ccc2,TP
+CCc1cccc(c1N)C,TP
+Nc1ccc(c(c1)N)/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O,TP
+CCC(=O)OCc1ccc(cc1)[N+](=O)[O-],FN
+CCCCN,TN
+O=C1C(O)CC(C(=O)C1C(=O)c1ccc(c(c1Cl)COCC(F)(F)F)S(=O)(=O)C)O,TN
+ClC(C(=O)N1CCN(C1=O)c1ncc(s1)[N+](=O)[O-])Cl,TP
+CC(OC(=O)NC(C(=O)NC(c1sc2c(n1)cc(c(c2)F)O)C)C(C)C)C,FP
+Nc1cccc(c1C)N.Cl.Cl,TP
+O=Cc1ccc(cc1)Cl,TN
+NNc1nncc2c1cncc2,TP
+O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2C,TP
+CCCCCCCOc1ccccc1NC(=O)OCCN1CCCCC1.Cl,TN
+BrCC(c1ccccc1)Br,FN
+CCCCCCC(=O)OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F,TN
+CCC1=C(CC2NCCc3c2cc(OC)c(c3)OC)CC2N(C1)CCc1c2cc(c(c1)OC)OC,TN
+NC1CC(OC(C1O)C)OC1CC(O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(O)ccc2)C(=O)C,TP
Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)CO)O)c(=O)[nH]c1=O,TN
-BrCc1cc(=O)oc2c1ccc(c2)OC(=O)C,TN
-C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.Cl,TP
-CCNC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O,TN
-O[C@@H]1CC[C@]2([C@H](C1)CC(=O)[C@H]1[C@H]2CC[C@@]2([C@@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,TN
-OCc1c2ccccc2c(c2c1c1ccccc1cc2)COS(=O)(=O)O.[Na+],TP
-OCCCCCl,FN
-Nc1ccc2c(c1/N=N/c1ccc(cc1)c1ccc(cc1)/N=N/c1cc(c3c(c1N)cccc3)S(=O)(=O)O)c(O)cc(c2)S(=O)(=O)O,TP
-N[C@H](C(=O)NCC(=O)O)CS,TP
-[O-][N+](=O)c1ccc(cc1)COc1ccccc1,TN
-O/N=c/1\[nH]c2c(n1C)cc(cn2)c1ccccc1,TP
-Clc1cc(ccc1/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O)c1ccc(c(c1)Cl)/N=N/c1c2ccc(cc2cc(c1N)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+],TN
-C[C@]12CC[C@@H](C2(C)C)C[C@@]1(C)O,TN
-ClC[C@](CBr)(Br)C,TN
-COc1cc2O[C@@H]3[C@H](c2c2c1c1[C@@H](O)CC(=O)c1c(=O)o2)C=CO3,TP
-Oc1ccc2c(c1/N=N/c1ccc3c(c1S(=O)(=O)O)cccc3)cccc2.[Na+],TN
-[O-][N+](=O)C,NA
-O=C(Nc1ccc(cc1)[N+](=O)[O-])CC[C@@H](C(=O)O)N,FP
-C[C@H](C(=O)N)Br,TP
-Oc1c2c(O[C@@H]3[C@H]2C=CO3)cc2c1c(=O)c1c(o2)cccc1O,FP
-C[C@H](CN1C[C@@H](OC1=O)C)O,NA
-CN(C1Cc2cccc3c2c(C1)ccc3)C.Cl,TP
-CN(c1ccc(cc1)/N=N/c1ccc2c(c1)cn[nH]2)C,TP
-CC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)C,FP
-c1cc(OC[C@H]2CO2)c2c(c1)cns2,TP
-CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CC,TN
-OCCN(c1ccc(cc1)C)CCO,TP
-O=C1C2=C(N)CCC(=C2C(=O)c2c1cccc2)N,NA
+CCC1(OCCc2c1[nH]c1c2cccc1CC)CC(=O)O,TN
+Oc1ccc(cc1)C(=O)O,TN
+[O-][N+](=O)c1ccc2c3c1c1ccccc1c1c3c(cc2)ccc1[N+](=O)[O-],FP
+[O-][N+](=O)c1cc2ccccc2c2c1cc(cc2)[N+](=O)[O-],TP
+Cc1cc(ccc1N)N=Nc1ccccc1C,TP
+Cn1c(=O)n(C)c2c(c1=O)nc[nH]2,TN
+COC(=O)[C@@]12O[C@@]2(CC)[C@@H](OC1=O)C,FN
+Nc1cnc2c(c1C)nc1n2cccc1C,TP
+O=C(O[C@@H]1C[C@@](O)(C[C@H]([C@H]1O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O,TN
+Brc1cc2cccnc2c(c1)C(=O)O,TN
+ONc1cc(C)ccc1C,TP
+CCCOC(=O)c1cc(ccc1N)Cc1ccc(c(c1)C(=O)OCCC)N,TN
+ClCc1ccc(cc1)CCl,TN
+[O-][N+](=O)NC1=NC(CN1Cc1ccc(nc1)Cl)O,TN
+CN(CCC=C1c2ccccc2CCc2c1cccc2)C,TN
+Nc1nc(nc2c1ncn2c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-],TP
+Cc1nc2c(nc1C)c(C)cc1c2nc(n1C)N,TP
+CCNC(=O)CCC(C(=O)O)N,TN
+[O-][N+](=O)c1cc2CCc3c4-c2c(c1)CCc4cc(c3)[N+](=O)[O-],TP
+Cc1cc(ccc1N)c1ccccc1C,TP
+OC(=O)C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CC[C@H]1C(=O)NC(C)(C)C)C,TN
+CC(=O)OCc1ccccc1,FP
+Clc1ccc(c(c1)Cl)Oc1ccc(cc1)[N+](=O)[O-],TP
+OCc1ccc2c(c1)c(C)c1c(-c3ccccc3C3C1O3)n2,FP
+Clc1cc(N)c(c(n1)C(=O)O)Cl,TN
+OC(=O)c1ccc(nc1S(=O)(=O)N)C(F)(F)F,TN
+CCCCCCCCOC(=O)C(=C)C,TN
+OCCNC(=O)N(CCCl)N=O,TP
+c1ccc(cc1)c1ccc(cc1)OCC1OC1,TP
+c1ccc(nc1)c1cccc(n1)c1ccccn1,TP
+[O-][N+](=O)c1ccc2-c3c(Cc2c1)cccc3[N+](=O)[O-],TP
+CCO[P@@](=O)(N(C)C)C#N,NA
+COc1ccc(cc1)O,TN
+ClCc1c2ccccc2c(c2c1cccc2)CCl,TP
+Clc1ccc(c(c1)Cl)C(=O)O,TN
+c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1O[C@H]1c4ccc3,TP
+CSCC[C@@H](C(=O)OCC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)F)N)Cc1cccc(c1)N(CCCl)CCCl,TP
+CN1CC(O)c2c3C1Cc1ccccc1-c3c1c(c2)OCO1,TP
+Nc1ccc(c2c1C(=O)c1c(O)ccc(c1C2=O)N)O,TP
+COc1ccc2c(c1)[nH]c1c2CCN=C1C,TN
+N#CSc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-],TP
+CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1,TN
+CCN(S(=O)(=O)c1ccc(cc1)NC(=O)C)CC,TN
+[O-][N+](=O)c1cc(C)c(c(c1)[N+](=O)[O-])O,FP
+Nc1ccc(cc1F)c1ccc(c(c1)F)N,TP
+COc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],TP
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+O=c1cc(C)c2c(o1)c1OC3(C(c1cc2)(C)OO3)C,TP
CSC(/C=N/O)(C)C,TN
-OC[C@H]1O[C@@H](O[C@H]([C@@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCC[S+](C)C)[C@@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@@H]1O)OC(=O)N)O.OC[C@H]1O[C@@H](O[C@H]([C@H](C(=O)N[C@@H]([C@@H]([C@@H](C(=O)N[C@H](C(=O)NCCc2scc(n2)c2scc(n2)C(=O)NCCCCNC(=N)N)[C@H](O)C)C)O)C)NC(=O)c2nc(nc(c2C)N)[C@H](CC(=O)N)NC[C@H](C(=O)N)N)c2nc[nH]c2)[C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)OC(=O)N)O,TP
-OC(=O)CCC(=O)O.[Na+],TN
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+OCc1ccc2c3c1ccc1c3c(cc2)ccc1,FN
+Cc1ccc(cc1)O,TN
+ClCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl,TN
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+CC[N+](=C1C=CC(=C(c2ccc(cc2S(=O)(=O)O)O)c2ccc(cc2)N(Cc2cccc(c2)S(=O)(=O)O)CC)C=C1)Cc1cccc(c1)S(=O)(=O)O,FP
+Oc1cccc(c1)O,TN
+Clc1cc(Cl)c(c(c1)Cl)Cl,TN
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+CCCCCCCCCCCC=C,TN
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+COc1ccc(cc1)C(=O)C1OC1c1ccccc1,TN
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+CCN(C(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)CC,TN
+NC(=O)c1c(Cl)ccc(c1Cl)O,TN
+N#N=Nc1ccc2c(c1)c(Nc1ccc(cc1)NS(=O)(=O)C)c1c(n2)cc(cc1)N=N#N,FP
+C/C=C(/C1=CC(=O)C23C(C1=O)(O)OC(C3C2)(C)C)\Cl,NA
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+OC(=O)CC(c1ccc(cc1)Cl)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,TN
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+CC1=C[C@@H](O)[C@@H]2C[C@H]1C2(C)C,TN
+CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2,TN
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+[O-][N+](=O)c1cc2c(cc1N)[nH]c1c2cccc1,TP
+Oc1ccc2c3c1ccc1c3c(cc2)c(cc1)[N+](=O)[O-],TP
+CNC(=O)Oc1cc2ccccc2c2c1cccc2,TP
+OC[C@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O,TN
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+Cc1cc2c3c4c1cccc4ccc3cc1c2cccc1,TP
+Nc1nc(nc(n1)Cl)NC(C)(C)C,TN
+O=C(c1ccccc1)Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O,TN
+CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,TN
+CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl,TN
+N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,TN
+CN(C(=O)/C=C/c1ccc(o1)[N+](=O)[O-])C,TP
+ONc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-],TP
+OC1C2OC2c2c(C1O)ccc1c2c(C)cc2c1CCC2,TP
Br[C@@H](C=O)CBr,NA
-CC(=O)/C=C/c1ccccc1,TP
-Clc1ccc(cc1)OCCO/C(=C(\n1cncc1)/C)/c1ccc(cc1Cl)Cl.[O-][N+](=O)O,TN
-Cc1cnc(c(n1)C)C,TN
-C[C@H](NC(=O)c1cccnc1)CNC(=O)c1cccnc1,TN
-O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)ccc1c2c(C)cc2c1cccc2,TP
-O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@@H](/C=C/[C@H](C2CC2)O)C)C)/C1,TN
-CCOC(=O)[C@H]1[C@@H](C1(C)C)C=C(C)C,TN
-O[C@@H](COc1cccc2c1c1ccccc1[nH]2)CNC(C)C,TN
-c1ccc2c(c1)cc1c(c2)cccc1,TP
-CCCCCOc1cccc(c1)NC(=O)O[C@@H]1CCCC[C@H]1N1CCCC1,NA
-ClCC1=C(Cl)C(=O)O[C@H]1O,TP
-O=c1[nH][nH]c2c1cccc2,TN
-CCOC(=O)[C@H](Br)C,FN
-COc1nsc2c1ccc(c2)OC[C@H]1CO1,TP
-COc1ccc(cc1)/C=N/n1nnc2c(c1=O)[nH]c1c2cccc1,TP
-CSCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)NC=O,NA
-OCCC[C@@]1(O)CC[C@@H]2[C@@]1(C)C[C@@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21,TN
-C[C@@H]1O[C@@H](C)CN(C1)N=O,TP
-O=C([C@@H]1CS[C@@H](C(=O)N1)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)Cc1c[nH]cn1,TN
-c1ccc2c(-c3ccccc3[C@@H]3[C@H]2O3)c1,TP
-c1ccc(cc1)c1ccc(cc1)OC[C@@H]1OC1,TP
-O=CC1=C[C@H]2CC(C[C@@H]2[C@@]23[C@@]1(C2)[C@H](O)OC3=O)(C)C,TP
-CC(=S)N,NA
-SC[C@@H](C(=O)O)NC(=O)C(S)(C)C,TN
-OC(=O)C(=O)Nc1cccc(c1)c1nnn[nH]1,TN
-Nc1ccc(c(c1C)N)/N=N/c1ccccc1,TP
-Nc1ccc2c(c1)c1ccccc1[nH]2,TP
-OC(=O)C(CC(=O)O)(CC(=O)O)O.CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1,TN
-O=C1CC[C@H](N1)C(=O)N1CSC[C@H]1C(=O)O,TN
-O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,TP
-c1ccc(cc1)N/N=N/c1ccccc1,TP
-N#C[C@H](c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,TN
-CN1C[C@@H](O)c2c3[C@H]1Cc1ccccc1-c3c1c(c2)OCO1,TP
-Nc1ccc2c(c1/N=N/c1ccc(cc1S(=O)(=O)O)[N+](=O)[O-])c(O)cc(c2)S(=O)(=O)O,FP
-[O-][N+](=O)c1cc(ccc1c1ccccc1)[N+](=O)[O-],TP
-OP(=O)(O)O.COc1ccc2c3c1O[C@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C,TN
-O[C@@H]1C=Cc2c([C@H]1O)c1-c3ccccc3-c3c1c(c2)c1ccccc1c3,TP
-C[C@H]1CC[C@H]2[C@@H]([C@@]3([C@@H]1C=CC3=O)C)OC(=O)C2=C,TN
-COCCOCO/N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H]([C@](C2)(C)OC)O)[C@@H](C(=O)O[C@@H]([C@@]([C@@H]([C@@H]1C)O)(C)O)CC)C,TN
-CCN(c1ccc(cc1)/N=N/c1ccccc1)CC,FP
-COc1ccc(c(c1)OC)N.Cl,TP
-O[C@@H]1[C@H]2O[C@H]2c2c([C@H]1O)c1ccc3c(c1cc2)cccc3,TP
-O[C@@H]1OC(=O)C(=C1Cl)Cl,TP
-NN[C@](C(=O)O)(Cc1ccc(c(c1)O)O)C,TP
-C[C@@H]1CC[C@H]([C@H](C1)OC(=O)c1ccccc1N)C(C)C,TN
-COC(=O)[C@]12C[C@]2(C=O)C(=C[C@H]2[C@H]1CC(C2)(C)C)C=O,TP
-OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(nc2N)c1ccc(cc1)[N+](=O)[O-],TP
-c1ccc2c(n1)c1c(cc2)CC[C@H]2[C@@H]1O2,TP
-CCOP(=O)(N1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1)OCC,TP
-Cc1ccccc1N.Cl,TP
-c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)O3,TP
-c1ccc2-c3cc4ccccc4cc3[C@@H]3[C@H](c2c1)N3,TP
-O/N=c/1\[nH]c2c(n1C)ccc1c2cccn1,TP
-OC(=O)O.N.N,TN
-O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N.Cl.Cl,TN
-Nc1ccc(c(c1)S(=O)(=O)O)N,TN
-[O-]/[N+](=N\c1ccc(c(c1)[N+](=O)[O-])C)/c1ccc(c(c1)[N+](=O)[O-])C,FP
-COc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)CCO3,TN
-Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1,TP
-Nc1ccc(c(c1)Cl)Cl,FP
-O[C@@H](COc1ccc(cc1C(=O)C)N)CNC(C)(C)C,TN
-Clc1ccc(cc1)[S@](=O)C,TN
-OC[C@H]1O[C@H](C[C@H]1O)n1cc(O)c(nc1=O)N,TN
-N=C(NC(=N)N)NCCc1ccccc1,TN
-O[C@@H]1C=Cc2c([C@@H]1O)ccc1c2cccc1,TP
-CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C,TP
-COP(=S)(SCC(=O)NCC=O)OC,TN
-Oc1ccc(c2c1C(=O)c1ccccc1C2=O)O,TP
-OC(=O)C[C@@H](C[C@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O.[Na+],TN
-CN(c1ccc(cc1)/N=N/S(=O)(=O)O)C.[Na+],NA
-CC[C@@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O.CCCCCCCCCCCCCCCCCC(=O)O,TN
-O[C@@H](COc1ccc(cc1C(=O)C)NC(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O)CNC(C)(C)C,TN
-COc1cc2c(cc1OC)OC[C@@H]1[C@H]2C(=O)c2c(O1)c1C[C@@H](Oc1cc2)C(=C)C,NA
-O=C(COC(=O)C)NCCCOc1cccc(c1)CN1CCCCC1.Cl,TN
-c1ccc2c(c1)c1ccc3c4c1c(c2)[C@H]1N[C@H]1c4ccc3,TP
-C/N=N/O,TP
-CCOC(=O)c1ccccc1c1c2-c(oc3c1cc(C)c(c3)NCC)c/c(=N\CC)/c(c2)C,NA
-O[C@H]1[C@@H]2O[C@@H]2c2c([C@@H]1O)cc(c1c2ccc2c1cccc2)C,FP
-CC(C[C@@H]1NC(=O)CNC1=O)C,TN
-CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl,TN
-ClNc1nc(NCl)nc(n1)NCl,NA
-C[C@@H]1NCCN(C1)c1cc2c(c(c1F)C)c(=O)c(cn2C1CC1)C(=O)O,FP
-COc1c(OC)cc2c3c1-c1cc4OCOc4cc1C[C@@H]3N(CC2)C,TP
-Nc1cc(cc(c1O)Cl)[N+](=O)[O-].Cl,TP
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-OC(=O)/C=C/C(=O)O,TN
-O=NN(N(C(=O)/C(=N/O)/C(=O)C)c1ccccc1)C,NA
+CNC[C@@H](c1cccc(c1)O)O.Cl,TN
+CCCCC=O,TN
CC(=O)OCc1ccccc1/N=N/c1ccc(cc1)N(C)C,TP
-COc1nsc2c1cccc2OC[C@H]1CO1,TP
-CNNC,NA
-[N-]=[N+]=Nc1ccc(cc1)Nc1c2ccccc2nc2c1cccc2,TP
-N#C[C@@H]1COCC[N@]1[C@H]1C[C@@H](O[C@H]([C@H]1O)C)O[C@H]1C[C@@](O)(Cc2c1c(O)c1c(c2O)C(=O)c2c(C1=O)c(OC)ccc2)C(=O)CO,FP
-C[C@@H](c1ccccc1)N(C)C,TN
-OC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3C1(N)CC1)F,FP
-CCc1cccc2c1[nH]c1c2CCO[C@@]1(C)CC,TN
-COc1ccc2c(c1)ccc(c2)[C@@H](C(=O)O)C,FP
-C=CCN1[C@@H]2[C@H]1c1ccccc1-c1c2cccc1,TP
-O=C1CC[C@H](N1C)c1cccnc1,TN
-CCCCC/C=C/C=C/C=O,FP
-Clc1ccc(cc1)C[C@@H]1OC1,TP
-C/C=C/C=C/C(=O)O.[K+],TN
-O=C/C=C(/CCC=C(C)C)\C,TN
-c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,TP
-CN(c1ccc(cc1)/N=N/c1ccccc1)C,TP
-OS(=O)(=O)c1cc(ccc1/C=C/c1ccc(cc1S(=O)(=O)O)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)Nc1nc(Nc2ccccc2)nc(n1)N1CCOCC1.[Na+].[Na+],NA
-O=C[C@H]([C@H]([C@@H]([C@H](O)C)N)O)O.CNc1ccc(cc1)C(=O)C,TN
-Cc1cccc2-c3c([C@H](c12)C)cccc3,TP
-SC[C@@H](C(=O)O)NC(=O)C(SC)(C)C,TN
-Clc1nc(nc(n1)Cl)Nc1ccccc1Cl,NA
-CN1CCN(CC1)c1c(F)cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C.O,FP
-O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)Oc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1,FP
-Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N,TP
-COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OCC(=O)C)C,TN
-NC[C@@H]1CC[C@H](CC1)C(=O)c1ccc(cc1)CCC(=O)O.Cl,TN
-CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCC(C)C)CC(C)C,TN
-Cc1ccccc1/N=N/c1ccc(cc1)N(C)C,FP
-O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)O)C)C)C,TN
-CCCCC[C@](/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O)(O)C,TN
-O=C/C=C/c1ccco1,TN
-CCCCCCCCCCCCCCCCCC(=O)O.[Li+],TN
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-O=C(N[C@H](C(=O)O)C)COc1ccc(cc1Cl)Cl,TN
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-O[C@@H]1COC(=C(C1=O)O)C,NA
-O=[P@@]1(OCc2c(O1)cccc2)Oc1ccccc1,FN
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-O=C1C(=C(Cl)C(=O)c2c1c(O)ccc2O)Cl,TP
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-O=c1oc2c([nH]1)cccc2,NA
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-[O-][N+](=O)c1ccc2c(c1)[nH]nc2,TP
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-[N-]=[N+]=C1C=NC(=O)NC1=O,NA
-Cl[C@]12C(Cl)(Cl)[C@@]3([C@@]4([C@]1(Cl)[C@@]1([C@@]2(Cl)[C@@]3([C@]4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,TN
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c1ccc2c(c1)c(CC[C@H]1CO1)ccc2,TP
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BrC[C@H](CO[P@@](=O)(OC[C@@H](CBr)Br)O)Br,TP
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-[CH-]1N=c2c(=C([N+]1=O)N)ncn2C,NA
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-[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1C,TP
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-[N-]=[N+]=NCc1ccccc1,NA
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-CCOP(=O)(OCC)OCC,NA
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-[N-]=[N+]=Nc1ccc2c(c1)nc1c(c2Nc2ccc(cc2OC)NS(=O)(=O)C)cccc1,TP
-O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1ccc(=N)[nH]c1=O)COP(=O)(O)O,TN
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-O=C1NC(=O)[C@](N1)(c1ccc(cc1)O)c1ccccc1,TN
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-[O-][N+](=O)c1ccc2c(c1)ccc1c2ccc(c1)[N+](=O)[O-],TP
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-[O-]/[N+](=N\c1ccccc1)/c1ccccc1,FN
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-[N-]=[N+]=CC(=O)OC[C@@H](C(=O)O)N,FN
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-O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],TN
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-Nc1ccc(cc1)c1ccc(cc1)N.Cl.Cl,TP
-CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O)O.[Na+],TN
-O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C.N,TN
-OC(=O)c1ccccc1O.[Na+],TN
-CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl,TN
-OS(=O)(=O)O.CNc1ccc(cc1)O.CNc1ccc(cc1)O,NA
-O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O.[Na+].[Na+],TN
-C[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3,TP
-CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C,TN
-CC(CCC[C@H]([C@H]1CC[C@H]2[C@@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CCCC2)C)C,TN
-O=C1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@H]1C)C)CC[C@]1([C@@H]3CC[C@@H]1O)C,TN
-OCc1c(CO)cnc(c1O)C.Cl,NA
-Nc1ccc2c(c1)[s+]c1c(n2)ccc(c1)N.Cl,TP
-Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[Na+].[Na+],TN
-NNc1ccccc1.Cl,TP
-CN.Cl,NA
-O[C@H](COc1cccc(c1C)C)CNC(C)(C)C.Cl,TN
-NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1,TN
-Oc1ccc2c(c1)[nH]c1c2CCN=C1C.Cl,TN
-CC(CCC[C@H]([C@@H]1CC[C@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@H](C2)OC(=O)C)C)C,TN
-CNC[C@@H](c1cccc(c1)O)O.Cl,TN
-N=c1nc[nH][nH]1,NA
-CCn1c2ccc(cc2c2c1cccc2)N.Cl,TP
-OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(I)c(=N)[nH]c1=O,TN
-OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O.[Na+].[Na+].[Ca+2],TN
-Nc1ccc(cc1)N.Cl.Cl,TP
-OP(=O)(O)O.OP(=O)(O)O.NCCC[C@H](Nc1cc(OC)cc2c1nccc2)C,TP
-COc1ccc(cc1)CN(c1ncccn1)CCN(C)C.Cl,TN
-CC(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H]([C@H]([C@H]2O)OC(=O)C)O)[C@@H](OC(=O)[C@@H]2CC[C@@H]3[C@H](C2)O[C@@]2([C@]43CO4)OC[C@H]([C@H](C2)OC(=O)/C=C/c2ccccc2)C)O[C@H]([C@H]1O)C,TN
-OS(=O)(=O)O.CCN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](CC)CC)C=C1)/c1ccccc1)CC,TP
-CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.Cl,TN
-COc1c(OC)cc2c(-c3ccc(c(=O)cc3[C@H](CC2)NC(=O)C)OC)c1OC,TN
-OS(=O)(=O)c1cc2cc(c(c(c2c(c1/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)O)N)/N=N/c1ccc(cc1)/N=N/c1ccc(cc1N)N)S(=O)(=O)O.[Na+].[Na+],TP
-OC(=O)C(Cl)(Cl)Cl.[Na+],TN
-OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C.Br.O.O.O,TN
-CN/C(=C/[N+](=O)[O-])/NCCSCc1ccc(o1)CN(C)C.Cl,NA
-Cc1cc(ccc1/N=N/c1ccc(c(c1)C(=O)O)O)c1ccc(c(c1)C)/N=N/c1c(N)c(C)cc(c1N)S(=O)(=O)O.[Na+].[Na+],TP
-COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@@H]([C@H](C1)N(C)C)O)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
-Nc1ccc2-c3n(Cc2c1)c(=O)c1c(n3)cccc1,NA
-c1ccc2c(c1)c(ccc2)C[C@H]1CO1,TP
-OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1ccc(nc1=O)N.Cl,TN
-COC(=O)[C@@H]1c2cc3c(c(c2[C@H](C[C@]1(O)CC)O[C@@H]1O[C@@H](C)[C@H]([C@H](C1)N(C)C)O[C@H]1C[C@H](O)[C@@H]([C@@H](O1)C)O[C@@H]1O[C@@H](C)C(=O)C=C1N)O)C(=O)c1c(C3=O)c(O)ccc1O,TP
-SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,TP
-Oc1ncnc(n1)O,NA
-OC1=CC(=O)C1=O.[Na+],TN
-OC(=O)[C@H](O)C.[Na+],TN
-Nc1ccc(c(c1)S(=O)(=O)O)/C=C/c1ccc(cc1S(=O)(=O)O)N.[Na+].[Na+],TN
-Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl,TP
-N/N=C/1\N=NC=C2[C@H]1C=CC=C2,TP
+OC1C(O)c2cc3c(cc2-c2c1cccc2)ccc1c3cccc1,TP
+Nc1ccc(c(c1)N)N=Nc1cccc(c1)N=Nc1ccc(cc1N)N,TP
+CC(=O)N(c1ccc(cc1)[N+](=O)[O-])O,FN
+[O-][N+](=O)c1ccc(o1)/C=C/C(=O)NCCCC,TP
+Oc1cc2ccccc2c(c1)O,TP
+Fc1ccccc1c1ccccc1,FP
+COc1ccn(c(=O)n1)CC(CN=N#N)O,TP
+COc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-],TP
+N#Cc1cccc(c1)C,TN
+CC(=O)OCc1c2ccccc2c(c2c1ccc1c2cccc1)C,TP
+N#C/C(=C\c1ccco1)/C(=O)OC,TN
+O=CNc1scc(n1)c1scc(c1)[N+](=O)[O-],TP
+Nc1ccccc1N,FN
+CC(CCCCCOC(=O)Cc1ccc(cc1Cl)Cl)C,TN
+OC(=O)C(Cc1ccc(cc1)O)N,FP
+CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,TN
+Cc1ccc(cc1)C(=O)ON(C(=O)c1ccccc1)OCc1ccccc1,TP
+CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H]1OC(=O)[C@@H]2OC(=O)C,TN
+Nc1ccc(cc1)N=Nc1ccc(cc1)N,TP
+O=CC1=CC2CC(CC2C23C1(C2)C(O)OC3=O)(C)C,TP
+COc1ccc(cc1)C(=O)/C=C/c1ccccc1,TN
+CCC(COC(=O)CCCCC(=O)O)CCC(=O)C,TN
+OC(COc1cccc2c1CC(O)C(C2)O)CNC(C)(C)C,TN
+CC(=O)OCc1ccc2c(c1)OCO2,FP
+c1ccc2c(c1)ccc1c2cc2cccc3c2c1[C@@H]1O[C@H]31,TP
+ONc1cccc(c1)C,TP
+Oc1ccc(c(c1)Cl)Cl,TN
+O=c1oc2c3c4c1cccc4ccc3ccc2[N+](=O)[O-],TP
+C/C(=N/O)/CC,NA
+Nc1cccc2c1nc1cccc(c1n2)N,TP
+Fc1cccc2c1nccc2,TP
+OC1C=Cc2c(C1O)cc1-c3ccccc3-c3c1c2cc1ccccc31,TP
+n1ccc(cc1)c1ccccn1,TP
+CC1=CC(=O)C(=CC1=O)C,TN
O[C@H]([C@H](C(=O)O)O)C(=O)O.[K+],TN
-O[C@H]([C@H](C(=O)O)O)C(=O)O.CCCn1cc2c3c1cccc3[C@@H]1[C@@H](C2)N(C)CC(=C1)C,TP
-Nc1ccn(c(=O)n1)[C@@H]1C=C([C@H]([C@H]1O)O)CO,TN
+CCN(c1ccc(cc1)[N+](=O)[O-])CC,TP
+COCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1,TN
+O=C1c2ccccc2C(=O)c2c1ccc(c2N)C,TP
+Oc1cccc2c1OC(C2)(C)C,TN
+OCc1cc2cccc3c2c2c1c1ccccc1cc2cc3,FP
+ClCc1c2ccc3c4c2c(c2c1cccc2)ccc4ccc3,FP
+O=C(c1ccccc1)/C=C/c1cccc(c1)[N+](=O)[O-],FP
+CCCC(=O)C1c2cccc(c2C(=O)c2c1cccc2O)O,TP
+OC(CNC(C)(C)C)COc1ccc(cc1C(=O)C)NC(=O)NC(C)(C)C,TN
+Nc1ccc(cc1)S(=O)(=O)N,FP
+CN(c1ccc(cc1)/C=C/c1ccccc1)C,FN
+Clc1ccc(cc1)Br,TN
+CC1=CC2CCCCC2c2c1cccc2,TP
+NC(C(=O)O)Cc1ccccc1,TN
+CC1CS1,NA
+CCCCOc1ccc2c(n1)c(NCCCN(CCCl)CC)c1c(n2)cc(cc1)Cl.Cl.Cl.O,TP
+CC(=O)Nc1ccc2c(c1)nccc2,TP
+CC(=O)Oc1cc([N+](=O)[O-])c2c3c1ccc1c3c(cc2)ccc1,TP
+Oc1ccc2c(c1)c1c([nH]2)c(C)cc(c1C)[N+](=O)[O-],TP
+ClC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-],TP
+Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1,TN
+Cc1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2,TN
+CC(OC(=O)NC(C(=O)NC(c1ccc(cc1)C)C)C(C)C)C,TN
+O=Nc1ccc(cc1)N(C)C,TP
+OC(=O)COc1ccc(cc1Cl)Cl,TN
+C1Cc2c(C1)c1ccc3c(c1cc2)cccc3,FP
+C[C@@H](Nc1ccc(cc1)N[C@@H](CCC(C)C)C)CCC(C)C,TN
+CCN(c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])CC,TP
+Oc1cc2O[C@H]3[C@H](c2c2c1c(=O)c1c(o2)cccc1O)C=CO3,TP
+Brc1cccc(c1)[N+](=O)[O-],TP
+Clc1cc(cc(c1)Cl)NS(=O)(=O)c1cccc2c1nccc2,TN
+Oc1ccc(c(c1)O)C(=O)O,TN
+Nc1ccc2c3c1-c1ccccc1-c3ccc2,TP
+[O-][N+](=O)c1ccc(c(c1)[N+](=O)[O-])Br,TP
+O/N=C(/c1ccc2c(c1)nc([nH]2)NC(=O)OC)\c1ccc(cc1)F,FN
+COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O,TN
diff --git a/crossvalidations/summary.yaml b/crossvalidations/summary.yaml
index 05ecfec..30e3f40 100644
--- a/crossvalidations/summary.yaml
+++ b/crossvalidations/summary.yaml
@@ -1,39 +1,39 @@
---
:cv:
mp2d_lazar_all:
- :tp: 3327
- :fp: 827
- :tn: 3049
- :fn: 574
- :n: 7777
+ :tp: 3329
+ :fp: 856
+ :tn: 3031
+ :fn: 566
+ :n: 7782
:acc: 0.82
:tpr: 0.85
- :fpr: 0.21
- :tnr: 0.79
+ :fpr: 0.22
+ :tnr: 0.78
:ppv: 0.8
:npv: 0.84
:acc_perc: 82
:tpr_perc: 85
- :tnr_perc: 79
+ :tnr_perc: 78
:ppv_perc: 80
:npv_perc: 84
mp2d_lazar_high_confidence:
- :tp: 2959
- :fp: 639
- :tn: 2302
- :fn: 400
- :n: 6300
+ :tp: 2827
+ :fp: 579
+ :tn: 2107
+ :fn: 351
+ :n: 5864
:acc: 0.84
- :tpr: 0.88
+ :tpr: 0.89
:fpr: 0.22
:tnr: 0.78
- :ppv: 0.82
- :npv: 0.85
+ :ppv: 0.83
+ :npv: 0.86
:acc_perc: 84
- :tpr_perc: 88
+ :tpr_perc: 89
:tnr_perc: 78
- :ppv_perc: 82
- :npv_perc: 85
+ :ppv_perc: 83
+ :npv_perc: 86
mp2d_rf:
:tp: 3196
:fp: 749
@@ -120,39 +120,39 @@
:ppv_perc: 85
:npv_perc: 84
cdk_lazar_all:
- :tp: 370
- :fp: 345
- :tn: 54
- :fn: 42
- :n: 811
- :acc: 0.52
- :tpr: 0.9
- :fpr: 0.86
- :tnr: 0.14
- :ppv: 0.52
- :npv: 0.56
- :acc_perc: 52
- :tpr_perc: 90
- :tnr_perc: 14
- :ppv_perc: 52
- :npv_perc: 56
+ :tp: 3131
+ :fp: 723
+ :tn: 2881
+ :fn: 618
+ :n: 7353
+ :acc: 0.82
+ :tpr: 0.84
+ :fpr: 0.2
+ :tnr: 0.8
+ :ppv: 0.81
+ :npv: 0.82
+ :acc_perc: 82
+ :tpr_perc: 84
+ :tnr_perc: 80
+ :ppv_perc: 81
+ :npv_perc: 82
cdk_lazar_high_confidence:
- :tp: 370
- :fp: 345
- :tn: 54
- :fn: 42
- :n: 811
- :acc: 0.52
- :tpr: 0.9
- :fpr: 0.86
- :tnr: 0.14
- :ppv: 0.52
- :npv: 0.56
- :acc_perc: 52
- :tpr_perc: 90
- :tnr_perc: 14
- :ppv_perc: 52
- :npv_perc: 56
+ :tp: 2294
+ :fp: 407
+ :tn: 1838
+ :fn: 333
+ :n: 4872
+ :acc: 0.85
+ :tpr: 0.87
+ :fpr: 0.18
+ :tnr: 0.82
+ :ppv: 0.85
+ :npv: 0.85
+ :acc_perc: 85
+ :tpr_perc: 87
+ :tnr_perc: 82
+ :ppv_perc: 85
+ :npv_perc: 85
cdk_rf:
:tp: 3267
:fp: 568
diff --git a/data.yaml b/data.yaml
index 360899a..7eed171 100644
--- a/data.yaml
+++ b/data.yaml
@@ -1,39 +1,39 @@
---
:cv:
mp2d_lazar_all:
- :tp: 3327
- :fp: 827
- :tn: 3049
- :fn: 574
- :n: 7777
+ :tp: 3329
+ :fp: 856
+ :tn: 3031
+ :fn: 566
+ :n: 7782
:acc: 0.82
:tpr: 0.85
- :fpr: 0.21
- :tnr: 0.79
+ :fpr: 0.22
+ :tnr: 0.78
:ppv: 0.8
:npv: 0.84
:acc_perc: 82
:tpr_perc: 85
- :tnr_perc: 79
+ :tnr_perc: 78
:ppv_perc: 80
:npv_perc: 84
mp2d_lazar_high_confidence:
- :tp: 2959
- :fp: 639
- :tn: 2302
- :fn: 400
- :n: 6300
+ :tp: 2827
+ :fp: 579
+ :tn: 2107
+ :fn: 351
+ :n: 5864
:acc: 0.84
- :tpr: 0.88
+ :tpr: 0.89
:fpr: 0.22
:tnr: 0.78
- :ppv: 0.82
- :npv: 0.85
+ :ppv: 0.83
+ :npv: 0.86
:acc_perc: 84
- :tpr_perc: 88
+ :tpr_perc: 89
:tnr_perc: 78
- :ppv_perc: 82
- :npv_perc: 85
+ :ppv_perc: 83
+ :npv_perc: 86
mp2d_rf:
:tp: 3196
:fp: 749
@@ -120,39 +120,39 @@
:ppv_perc: 85
:npv_perc: 84
cdk_lazar_all:
- :tp: 370
- :fp: 345
- :tn: 54
- :fn: 42
- :n: 811
- :acc: 0.52
- :tpr: 0.9
- :fpr: 0.86
- :tnr: 0.14
- :ppv: 0.52
- :npv: 0.56
- :acc_perc: 52
- :tpr_perc: 90
- :tnr_perc: 14
- :ppv_perc: 52
- :npv_perc: 56
+ :tp: 3131
+ :fp: 723
+ :tn: 2881
+ :fn: 618
+ :n: 7353
+ :acc: 0.82
+ :tpr: 0.84
+ :fpr: 0.2
+ :tnr: 0.8
+ :ppv: 0.81
+ :npv: 0.82
+ :acc_perc: 82
+ :tpr_perc: 84
+ :tnr_perc: 80
+ :ppv_perc: 81
+ :npv_perc: 82
cdk_lazar_high_confidence:
- :tp: 370
- :fp: 345
- :tn: 54
- :fn: 42
- :n: 811
- :acc: 0.52
- :tpr: 0.9
- :fpr: 0.86
- :tnr: 0.14
- :ppv: 0.52
- :npv: 0.56
- :acc_perc: 52
- :tpr_perc: 90
- :tnr_perc: 14
- :ppv_perc: 52
- :npv_perc: 56
+ :tp: 2294
+ :fp: 407
+ :tn: 1838
+ :fn: 333
+ :n: 4872
+ :acc: 0.85
+ :tpr: 0.87
+ :fpr: 0.18
+ :tnr: 0.82
+ :ppv: 0.85
+ :npv: 0.85
+ :acc_perc: 85
+ :tpr_perc: 87
+ :tnr_perc: 82
+ :ppv_perc: 85
+ :npv_perc: 85
cdk_rf:
:tp: 3267
:fp: 568
@@ -295,19 +295,19 @@
:mut_perc: 14
:non_mut_perc: 86
:cdk_lazar_all:
- :n: 560
- :mut: 111
- :non_mut: 449
- :n_perc: 93
- :mut_perc: 20
- :non_mut_perc: 80
+ :n: 500
+ :mut: 193
+ :non_mut: 307
+ :n_perc: 83
+ :mut_perc: 39
+ :non_mut_perc: 61
:cdk_lazar_high_confidence:
- :n: 301
- :mut: 76
- :non_mut: 225
- :n_perc: 50
- :mut_perc: 25
- :non_mut_perc: 75
+ :n: 246
+ :mut: 111
+ :non_mut: 135
+ :n_perc: 41
+ :mut_perc: 45
+ :non_mut_perc: 55
:cdk_rf:
:n: 602
:mut: 10
@@ -346,64 +346,64 @@
:groups:
:Retronecine:
:n: 392
- :mut: 629
- :non_mut: 4547
- :n_pred: 5176
- :mut_perc: 12
- :non_mut_perc: 87
+ :mut: 762
+ :non_mut: 4292
+ :n_pred: 5054
+ :mut_perc: 15
+ :non_mut_perc: 84
:Otonecine:
:n: 46
- :mut: 458
- :non_mut: 176
- :n_pred: 634
- :mut_perc: 72
- :non_mut_perc: 27
+ :mut: 407
+ :non_mut: 216
+ :n_pred: 623
+ :mut_perc: 65
+ :non_mut_perc: 34
:Platynecine:
:n: 140
- :mut: 76
- :non_mut: 1588
- :n_pred: 1664
- :mut_perc: 4
- :non_mut_perc: 95
+ :mut: 91
+ :non_mut: 1579
+ :n_pred: 1670
+ :mut_perc: 5
+ :non_mut_perc: 94
:N_oxide:
:n: 84
- :mut: 27
- :non_mut: 1017
- :n_pred: 1044
- :mut_perc: 2
- :non_mut_perc: 97
+ :mut: 59
+ :non_mut: 993
+ :n_pred: 1052
+ :mut_perc: 5
+ :non_mut_perc: 94
:Dehydropyrrolizidine:
:n: 23
- :mut: 54
- :non_mut: 202
- :n_pred: 256
- :mut_perc: 21
- :non_mut_perc: 78
+ :mut: 74
+ :non_mut: 194
+ :n_pred: 268
+ :mut_perc: 27
+ :non_mut_perc: 72
:Tertiary_PA:
:n: 495
- :mut: 1136
- :non_mut: 5306
- :n_pred: 6442
- :mut_perc: 17
- :non_mut_perc: 82
+ :mut: 1201
+ :non_mut: 5106
+ :n_pred: 6307
+ :mut_perc: 19
+ :non_mut_perc: 80
:Macrocyclic_diester:
:n: 255
- :mut: 984
- :non_mut: 2382
- :n_pred: 3366
- :mut_perc: 29
- :non_mut_perc: 70
+ :mut: 1042
+ :non_mut: 2314
+ :n_pred: 3356
+ :mut_perc: 31
+ :non_mut_perc: 68
:Monoester:
:n: 154
- :mut: 45
- :non_mut: 1895
- :n_pred: 1940
+ :mut: 52
+ :non_mut: 1837
+ :n_pred: 1889
:mut_perc: 2
:non_mut_perc: 97
:Diester:
:n: 163
- :mut: 155
- :non_mut: 1927
- :n_pred: 2082
- :mut_perc: 7
- :non_mut_perc: 92
+ :mut: 206
+ :non_mut: 1841
+ :n_pred: 2047
+ :mut_perc: 10
+ :non_mut_perc: 89
diff --git a/figures/Dehydropyrrolizidine.png b/figures/Dehydropyrrolizidine.png
index 434eac9..e193894 100644
--- a/figures/Dehydropyrrolizidine.png
+++ b/figures/Dehydropyrrolizidine.png
Binary files differ
diff --git a/figures/Diester.png b/figures/Diester.png
index 2e11da5..72bb285 100644
--- a/figures/Diester.png
+++ b/figures/Diester.png
Binary files differ
diff --git a/figures/Macrocyclic.diester.png b/figures/Macrocyclic.diester.png
index 0591498..431cd8f 100644
--- a/figures/Macrocyclic.diester.png
+++ b/figures/Macrocyclic.diester.png
Binary files differ
diff --git a/figures/Monoester.png b/figures/Monoester.png
index dd971ba..d7aca47 100644
--- a/figures/Monoester.png
+++ b/figures/Monoester.png
Binary files differ
diff --git a/figures/N.oxide.png b/figures/N.oxide.png
index 5e32779..19c9344 100644
--- a/figures/N.oxide.png
+++ b/figures/N.oxide.png
Binary files differ
diff --git a/figures/Otonecine.png b/figures/Otonecine.png
index 7ff5b66..092cc03 100644
--- a/figures/Otonecine.png
+++ b/figures/Otonecine.png
Binary files differ
diff --git a/figures/Platynecine.png b/figures/Platynecine.png
index 32a5613..49ed434 100644
--- a/figures/Platynecine.png
+++ b/figures/Platynecine.png
Binary files differ
diff --git a/figures/Retronecine.png b/figures/Retronecine.png
index aaba139..ebf61af 100644
--- a/figures/Retronecine.png
+++ b/figures/Retronecine.png
Binary files differ
diff --git a/figures/Tertiary.PA.png b/figures/Tertiary.PA.png
index e93c23a..f7ab413 100644
--- a/figures/Tertiary.PA.png
+++ b/figures/Tertiary.PA.png
Binary files differ
diff --git a/figures/lazar-screenshot.png b/figures/lazar-screenshot.png
new file mode 100644
index 0000000..c3c4bab
--- /dev/null
+++ b/figures/lazar-screenshot.png
Binary files differ
diff --git a/figures/pa-groups.csv b/figures/pa-groups.csv
new file mode 100644
index 0000000..6becd52
--- /dev/null
+++ b/figures/pa-groups.csv
@@ -0,0 +1,127 @@
+'PA Group','Model','Frequency'
+'Retronecine','MP2D-LAZAR-ALL',11.989795918367347
+'Retronecine','MP2D-LAZAR-HC',9.438775510204081
+'Retronecine','MP2D-RF',5.612244897959184
+'Retronecine','MP2D-LR-sgd',17.346938775510203
+'Retronecine','MP2D-LR-scikit',15.816326530612244
+'Retronecine','MP2D-NN',17.857142857142858
+'Retronecine','MP2D-SVM',8.928571428571429
+'Retronecine','CDK-LAZAR-ALL',32.6530612244898
+'Retronecine','CDK-LAZAR-HC',22.70408163265306
+'Retronecine','CDK-RF',1.7857142857142858
+'Retronecine','CDK-LR-sgd',12.755102040816327
+'Retronecine','CDK-LR-scikit',11.989795918367347
+'Retronecine','CDK-NN',23.214285714285715
+'Retronecine','CDK-SVM',2.295918367346939
+'Otonecine','MP2D-LAZAR-ALL',93.47826086956522
+'Otonecine','MP2D-LAZAR-HC',84.78260869565217
+'Otonecine','MP2D-RF',2.1739130434782608
+'Otonecine','MP2D-LR-sgd',97.82608695652173
+'Otonecine','MP2D-LR-scikit',91.30434782608695
+'Otonecine','MP2D-NN',97.82608695652173
+'Otonecine','MP2D-SVM',91.30434782608695
+'Otonecine','CDK-LAZAR-ALL',43.47826086956522
+'Otonecine','CDK-LAZAR-HC',23.91304347826087
+'Otonecine','CDK-RF',4.3478260869565215
+'Otonecine','CDK-LR-sgd',82.6086956521739
+'Otonecine','CDK-LR-scikit',63.04347826086956
+'Otonecine','CDK-NN',89.1304347826087
+'Otonecine','CDK-SVM',19.565217391304348
+'Platynecine','MP2D-LAZAR-ALL',13.571428571428571
+'Platynecine','MP2D-LAZAR-HC',0.0
+'Platynecine','MP2D-RF',2.142857142857143
+'Platynecine','MP2D-LR-sgd',2.857142857142857
+'Platynecine','MP2D-LR-scikit',2.857142857142857
+'Platynecine','MP2D-NN',3.5714285714285716
+'Platynecine','MP2D-SVM',2.142857142857143
+'Platynecine','CDK-LAZAR-ALL',19.285714285714285
+'Platynecine','CDK-LAZAR-HC',5.0
+'Platynecine','CDK-RF',0.7142857142857143
+'Platynecine','CDK-LR-sgd',2.857142857142857
+'Platynecine','CDK-LR-scikit',2.857142857142857
+'Platynecine','CDK-NN',6.428571428571429
+'Platynecine','CDK-SVM',0.7142857142857143
+'N-oxide','MP2D-LAZAR-ALL',3.5714285714285716
+'N-oxide','MP2D-LAZAR-HC',2.380952380952381
+'N-oxide','MP2D-RF',4.761904761904762
+'N-oxide','MP2D-LR-sgd',1.1904761904761905
+'N-oxide','MP2D-LR-scikit',4.761904761904762
+'N-oxide','MP2D-NN',0.0
+'N-oxide','MP2D-SVM',2.380952380952381
+'N-oxide','CDK-LAZAR-ALL',28.571428571428573
+'N-oxide','CDK-LAZAR-HC',15.476190476190476
+'N-oxide','CDK-RF',0.0
+'N-oxide','CDK-LR-sgd',1.1904761904761905
+'N-oxide','CDK-LR-scikit',3.5714285714285716
+'N-oxide','CDK-NN',2.380952380952381
+'N-oxide','CDK-SVM',0.0
+'Dehydropyrrolizidine','MP2D-LAZAR-ALL',8.695652173913043
+'Dehydropyrrolizidine','MP2D-LAZAR-HC',0.0
+'Dehydropyrrolizidine','MP2D-RF',8.695652173913043
+'Dehydropyrrolizidine','MP2D-LR-sgd',43.47826086956522
+'Dehydropyrrolizidine','MP2D-LR-scikit',43.47826086956522
+'Dehydropyrrolizidine','MP2D-NN',17.391304347826086
+'Dehydropyrrolizidine','MP2D-SVM',8.695652173913043
+'Dehydropyrrolizidine','CDK-LAZAR-ALL',78.26086956521739
+'Dehydropyrrolizidine','CDK-LAZAR-HC',17.391304347826086
+'Dehydropyrrolizidine','CDK-RF',0.0
+'Dehydropyrrolizidine','CDK-LR-sgd',21.73913043478261
+'Dehydropyrrolizidine','CDK-LR-scikit',34.78260869565217
+'Dehydropyrrolizidine','CDK-NN',39.130434782608695
+'Dehydropyrrolizidine','CDK-SVM',0.0
+'Tertiary PA','MP2D-LAZAR-ALL',21.414141414141415
+'Tertiary PA','MP2D-LAZAR-HC',14.94949494949495
+'Tertiary PA','MP2D-RF',4.444444444444445
+'Tertiary PA','MP2D-LR-sgd',23.434343434343436
+'Tertiary PA','MP2D-LR-scikit',21.01010101010101
+'Tertiary PA','MP2D-NN',24.242424242424242
+'Tertiary PA','MP2D-SVM',15.757575757575758
+'Tertiary PA','CDK-LAZAR-ALL',30.505050505050505
+'Tertiary PA','CDK-LAZAR-HC',18.98989898989899
+'Tertiary PA','CDK-RF',2.0202020202020203
+'Tertiary PA','CDK-LR-sgd',18.383838383838384
+'Tertiary PA','CDK-LR-scikit',15.555555555555555
+'Tertiary PA','CDK-NN',28.08080808080808
+'Tertiary PA','CDK-SVM',3.8383838383838382
+'Macrocyclic-diester','MP2D-LAZAR-ALL',30.19607843137255
+'Macrocyclic-diester','MP2D-LAZAR-HC',25.88235294117647
+'Macrocyclic-diester','MP2D-RF',10.196078431372548
+'Macrocyclic-diester','MP2D-LR-sgd',39.21568627450981
+'Macrocyclic-diester','MP2D-LR-scikit',38.8235294117647
+'Macrocyclic-diester','MP2D-NN',36.470588235294116
+'Macrocyclic-diester','MP2D-SVM',28.627450980392158
+'Macrocyclic-diester','CDK-LAZAR-ALL',47.450980392156865
+'Macrocyclic-diester','CDK-LAZAR-HC',31.372549019607842
+'Macrocyclic-diester','CDK-RF',3.1372549019607843
+'Macrocyclic-diester','CDK-LR-sgd',35.294117647058826
+'Macrocyclic-diester','CDK-LR-scikit',32.549019607843135
+'Macrocyclic-diester','CDK-NN',42.745098039215684
+'Macrocyclic-diester','CDK-SVM',6.666666666666667
+'Monoester','MP2D-LAZAR-ALL',3.896103896103896
+'Monoester','MP2D-LAZAR-HC',0.6493506493506493
+'Monoester','MP2D-RF',0.0
+'Monoester','MP2D-LR-sgd',3.2467532467532467
+'Monoester','MP2D-LR-scikit',2.5974025974025974
+'Monoester','MP2D-NN',5.194805194805195
+'Monoester','MP2D-SVM',0.6493506493506493
+'Monoester','CDK-LAZAR-ALL',7.792207792207792
+'Monoester','CDK-LAZAR-HC',1.2987012987012987
+'Monoester','CDK-RF',0.0
+'Monoester','CDK-LR-sgd',1.2987012987012987
+'Monoester','CDK-LR-scikit',0.6493506493506493
+'Monoester','CDK-NN',6.4935064935064934
+'Monoester','CDK-SVM',0.0
+'Diester','MP2D-LAZAR-ALL',14.110429447852761
+'Diester','MP2D-LAZAR-HC',4.9079754601226995
+'Diester','MP2D-RF',1.2269938650306749
+'Diester','MP2D-LR-sgd',9.815950920245399
+'Diester','MP2D-LR-scikit',7.361963190184049
+'Diester','MP2D-NN',10.429447852760736
+'Diester','MP2D-SVM',4.294478527607362
+'Diester','CDK-LAZAR-ALL',34.355828220858896
+'Diester','CDK-LAZAR-HC',15.950920245398773
+'Diester','CDK-RF',1.2269938650306749
+'Diester','CDK-LR-sgd',2.4539877300613497
+'Diester','CDK-LR-scikit',1.2269938650306749
+'Diester','CDK-NN',17.791411042944784
+'Diester','CDK-SVM',1.2269938650306749
diff --git a/figures/pa-groups.png b/figures/pa-groups.png
new file mode 100644
index 0000000..19a8436
--- /dev/null
+++ b/figures/pa-groups.png
Binary files differ
diff --git a/figures/roc.csv b/figures/roc.csv
index 854dab5..1ad3304 100644
--- a/figures/roc.csv
+++ b/figures/roc.csv
@@ -1,15 +1,15 @@
-tpr,fpr
-MP2D-LAZAR-ALL,0.85,0.21
-MP2D-LAZAR-HC,0.88,0.22
-MP2D-RF,0.78,0.18
-MP2D-LR,0.83,0.16
-MP2D-LR2,0.83,0.15
-MP2D-NN,0.82,0.15
-MP2D-SVM,0.83,0.14
-CDK-LAZAR-ALL,0.9,0.86
-CDK-LAZAR-HC,0.9,0.86
-CDK-RF,0.81,0.14
-CDK-LR,0.81,0.22
-CDK-LR2,0.8,0.2
-CDK-NN,0.85,0.15
-CDK-SVM,0.82,0.18
+descriptor,model,tpr,fpr
+MP2D,LAZAR-ALL,0.85,0.22
+MP2D,LAZAR-HC,0.89,0.22
+MP2D,RF,0.78,0.18
+MP2D,LR-sgd,0.83,0.16
+MP2D,LR-scikit,0.83,0.15
+MP2D,NN,0.82,0.15
+MP2D,SVM,0.83,0.14
+CDK,LAZAR-ALL,0.84,0.2
+CDK,LAZAR-HC,0.87,0.18
+CDK,RF,0.81,0.14
+CDK,LR-sgd,0.81,0.22
+CDK,LR-scikit,0.8,0.2
+CDK,NN,0.85,0.15
+CDK,SVM,0.82,0.18
diff --git a/figures/roc.png b/figures/roc.png
index 6041f70..8971b51 100644
--- a/figures/roc.png
+++ b/figures/roc.png
Binary files differ
diff --git a/figures/tsne-cdk-coordinates.csv b/figures/tsne-cdk-coordinates.csv
index 46b50ac..25e10ca 100644
--- a/figures/tsne-cdk-coordinates.csv
+++ b/figures/tsne-cdk-coordinates.csv
@@ -1,10 +1,10 @@
"smiles","x","y"
-"NNC(=O)CNC(=O)C=N#N",7.39528793578169,-43.1281570504119
-"N1C(=O)C(=N#N)C=NC1=O",29.0944946328385,-15.8188207770782
-"NC(=O)CNC(=O)C=N#N",29.8708600623529,-25.0999256855543
-"CCCCN(CC(C1=CC(=N#N)C(=O)C=C1)O)N=O",2.69419810338211,2.38551497812093
-"NC(C(=O)O)COC(=O)C=N#N",7.73511157686259,-42.1500728556031
-"CCN(CC(C1=CC(=O)C(=N#N)C=C1)O)N=O",-16.1679599862477,-8.36896020652051
+"NNC(=O)CNC(=O)/C=N#N",7.39528793578169,-43.1281570504119
+"N1C(=O)/C(=N#N)/C=NC1=O",29.0944946328385,-15.8188207770782
+"NC(=O)CNC(=O)/C=N#N",29.8708600623529,-25.0999256855543
+"CCCCN(CC(C1=C/C(=N#N)/C(=O)C=C1)O)N=O",2.69419810338211,2.38551497812093
+"NC(C(=O)O)COC(=O)/C=N#N",7.73511157686259,-42.1500728556031
+"CCN(CC(C1=CC(=O)/C(=N#N)/C=C1)O)N=O",-16.1679599862477,-8.36896020652051
"O=C1OCC2(C(=C1)C(=CC1C2CCC2(C1CCC2(OC(=O)C)C(=O)C)C)Cl)C",21.4650493433247,47.6233292982176
"Nc1nc(N)nc(n1)N",27.8964254073757,-24.4940398443692
"Cc1ccc(c(c1)[N+](=O)[O-])N=Nc1c(O)ccc2c1cccc2",-7.87861877573024,8.19077200314158
diff --git a/figures/tsne-cdk-descriptors.csv b/figures/tsne-cdk-descriptors.csv
index 5736d35..feaec95 100644
--- a/figures/tsne-cdk-descriptors.csv
+++ b/figures/tsne-cdk-descriptors.csv
@@ -1,9 +1,9 @@
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diff --git a/figures/tsne-cdk-lazar-all-classifications.png b/figures/tsne-cdk-lazar-all-classifications.png
new file mode 100644
index 0000000..a1308fd
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diff --git a/figures/tsne-cdk-lr-classifications.png b/figures/tsne-cdk-lr-classifications.png
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diff --git a/figures/tsne-cdk-lr2-classifications.png b/figures/tsne-cdk-lr2-classifications.png
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diff --git a/figures/tsne-cdk-mutagenicity.csv b/figures/tsne-cdk-mutagenicity.csv
index 6542129..32baa38 100644
--- a/figures/tsne-cdk-mutagenicity.csv
+++ b/figures/tsne-cdk-mutagenicity.csv
@@ -1,9 +1,9 @@
-PA
-PA
-PA
-PA
-PA
-PA
+mutagen
+mutagen
+mutagen
+mutagen
+mutagen
+mutagen
non-mutagen
non-mutagen
mutagen
diff --git a/figures/tsne-cdk-mutagenicity.png b/figures/tsne-cdk-mutagenicity.png
index 07b3df6..cb4ff5c 100644
--- a/figures/tsne-cdk-mutagenicity.png
+++ b/figures/tsne-cdk-mutagenicity.png
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diff --git a/figures/tsne-cdk-nn-classifications.png b/figures/tsne-cdk-nn-classifications.png
new file mode 100644
index 0000000..8e5851c
--- /dev/null
+++ b/figures/tsne-cdk-nn-classifications.png
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diff --git a/figures/tsne-cdk-rf-classifications.png b/figures/tsne-cdk-rf-classifications.png
new file mode 100644
index 0000000..9679745
--- /dev/null
+++ b/figures/tsne-cdk-rf-classifications.png
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diff --git a/figures/tsne-cdk-svm-classifications.png b/figures/tsne-cdk-svm-classifications.png
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diff --git a/figures/tsne-mp2d-lazar-all-classifications.png b/figures/tsne-mp2d-lazar-all-classifications.png
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diff --git a/figures/tsne-mp2d-lr-classifications.png b/figures/tsne-mp2d-lr-classifications.png
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index 0000000..75ef921
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diff --git a/figures/tsne-mp2d-lr2-classifications.png b/figures/tsne-mp2d-lr2-classifications.png
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diff --git a/figures/tsne-mp2d-nn-classifications.png b/figures/tsne-mp2d-nn-classifications.png
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diff --git a/figures/tsne-mp2d-rf-classifications.png b/figures/tsne-mp2d-rf-classifications.png
new file mode 100644
index 0000000..3f97d8a
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diff --git a/figures/tsne-mp2d-svm-classifications.png b/figures/tsne-mp2d-svm-classifications.png
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index 0000000..25c8d14
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diff --git a/mutagenicity.md b/mutagenicity.md
index 3939d31..5a01ee9 100644
--- a/mutagenicity.md
+++ b/mutagenicity.md
@@ -1,5 +1,5 @@
---
-title: A comparison of nine machine learning models based on an expanded mutagenicity dataset and their application for predicting pyrrolizidine alkaloid mutagenicity
+title: A comparison of nine machine learning mutagenicity models and their application for predicting pyrrolizidine alkaloids
author:
- Christoph Helma:
@@ -8,23 +8,26 @@ author:
correspondence: "yes"
- Verena Schöning:
institute: insel
+ - Jürgen Drewe:
+ institute: zeller, unibas
- Philipp Boss:
institute: sysbio
- - Jürgen Drewe:
- institute: zeller
institute:
- ist:
name: in silico toxicology gmbh
address: "Rastatterstrasse 41, 4057 Basel, Switzerland"
- zeller:
- name: Zeller AG
+ name: Max Zeller Söhne AG
address: "Seeblickstrasse 4, 8590 Romanshorn, Switzerland"
- sysbio:
name: Berlin Institute for Medical Systems Biology, Max Delbrück Center for Molecular Medicine in the Helmholtz Association
address: "Robert-Rössle-Strasse 10, Berlin, 13125, Germany"
+ - unibas:
+ name: Clinical Pharmacology, Department of Pharmaceutical Sciences, University Hospital Basel, University of Basel
+ address: "Petersgraben 4, 4031 Basel, Switzerland"
- insel:
- name: Clinical Pharmacology and Toxicology, Department of General Internal Medicine, Bern University Hospital, University of Bern
+ name: Clinical Pharmacology and Toxicology, Department of General Internal Medicine, University Hospital Bern, University of Bern
address: "Inselspital, 3010 Bern, Switzerland"
bibliography: bibliography.bib
@@ -44,16 +47,13 @@ Abstract
Random forest, support vector machine, logistic regression, neural networks and
k-nearest neighbor (`lazar`) algorithms, were applied to new *Salmonella*
-mutagenicity dataset with {{cv.n_uniq}} unique chemical structures.
-<!--
-The best prediction
-accuracies in 10-fold-crossvalidation were obtained with `lazar` models and
-MolPrint2D descriptors, that gave accuracies
-({{cv.lazar-high-confidence.acc_perc}}%)
-similar to the interlaboratory variability of the Ames test.
--->
-
-**TODO**: PA results
+mutagenicity dataset with {{cv.n_uniq}} unique chemical structures utilizing
+MolPrint2D and Chemistry Development Kit (CDK) descriptors. Crossvalidation
+accuracies of all investigated models ranged from 80-85% which is comparable
+with the interlaboratory variability of the *Salmonella* mutagenicity assay.
+Pyrrolizidine alkaloid predictions showed a clear distinction between chemical
+groups, where Otonecines had the highest proportion of positive mutagenicity
+predictions and Monoester the lowest.
Introduction
============
@@ -154,13 +154,13 @@ without further processing. To achieve consistency with these
datasets, EFSA compounds were classified as mutagenic, if at least one
positive result was found for TA98 or T100 Salmonella strains.
-Dataset merges were based on unique SMILES (*Simplified Molecular Input
-Line Entry Specification*) strings of the compound structures.
-Duplicated experimental data with the same outcome was merged into a
-single value, because it is likely that it originated from the same
-experiment. Contradictory results were kept as multiple measurements in
-the database. The combined training dataset contains {{cv.n_uniq}} unique
-structures and {{cv.n}} individual measurements.
+Dataset merges were based on unique SMILES (*Simplified Molecular Input Line
+Entry Specification*, @Weininger1989) strings of the compound structures.
+Duplicated experimental data with the same outcome was merged into a single
+value, because it is likely that it originated from the same experiment.
+Contradictory results were kept as multiple measurements in the database. The
+combined training dataset contains {{cv.n_uniq}} unique structures and {{cv.n}}
+individual measurements.
Source code for all data download, extraction and merge operations is publicly
available from the git repository <https://git.in-silico.ch/mutagenicity-paper>
@@ -215,10 +215,10 @@ basically the chemical concept of functional groups.
In contrast to predefined lists of fragments (e.g. FP3, FP4 or MACCs
fingerprints) or descriptors (e.g CDK) they are generated dynamically from
-chemical structures. This has the advantage that they can capture unknown substructures
-of toxicological relevance that are not included in other descriptors. In addition they
-allow the efficient calculation of
-chemical similarities (e.g. Tanimoto indices) with simple set operations.
+chemical structures. This has the advantage that they can capture unknown
+substructures of toxicological relevance that are not included in other
+descriptors. In addition they allow the efficient calculation of chemical
+similarities (e.g. Tanimoto indices) with simple set operations.
MolPrint2D fingerprints were calculated with the OpenBabel cheminformatics
library (@OBoyle2011a). They can be obtained from the following locations:
@@ -233,13 +233,6 @@ library (@OBoyle2011a). They can be obtained from the following locations:
- sparse representation (<https://git.in-silico.ch/mutagenicity-paper/tree/pyrrolizidine-alkaloids/mp2d/fingerprints.mp2d>)
- descriptor matrix (<https://git.in-silico.ch/mutagenicity-paper/tree/pyrrolizidine-alkaloids/mp2d/pa-fingerprints.csv.gz>)
-<!--
-Using them as descriptors for global
-models leads however to huge, sparsely populated matrices that cannot be
-handled with traditional machine learning algorithms. In our experiments none
-of the R and Tensorflow algorithms was capable to use them as descriptors.
--->
-
#### Chemistry Development Kit (*CDK*) descriptors
Molecular 1D and 2D descriptors were calculated with the PaDEL-Descriptors
@@ -259,28 +252,6 @@ The same procedure was applied for the pyrrolizidine dataset yielding
{{pa.cdk.n_descriptors}} descriptors for {{pa.cdk.n_compounds}}
compounds. CDK features for pyrrolizidine alkaloids are available at <https://git.in-silico.ch/mutagenicity-paper/tree/pyrrolizidine-alkaloids/cdk/PA-Padel-2D_m2.csv>.
-<!--
-During feature selection, descriptors with near zero variance were removed
-using '*NearZeroVar*'-function (package 'caret'). If the percentage of the most
-common value was more than 90% or when the frequency ratio of the most common
-value to the second most common value was greater than 95:5 (e.g. 95 instances
-of the most common value and only 5 or less instances of the second most common
-value), a descriptor was classified as having a near zero variance. After that,
-highly correlated descriptors were removed using the
-'*findCorrelation*'-function (package 'caret') with a cut-off of 0.9. This
-resulted in a training dataset with 516 descriptors. These descriptors were
-scaled to be in the range between 0 and 1 using the '*preProcess*'-function
-(package 'caret'). The scaling routine was saved in order to apply the same
-scaling on the testing dataset. As these three steps did not consider the
-dependent variable (experimental mutagenicity), it was decided that they do not
-need to be included in the cross-validation of the model. To further reduce the
-number of features, a LASSO (*least absolute shrinkage and selection operator*)
-regression was performed using the '*glmnet*'-function (package '*glmnet*').
-The reduced dataset was used for the generation of the pre-trained models.
-
-CDK descriptors were used in global (RF, SVM, LR, NN) and local (`lazar`) models.
--->
-
Algorithms
----------
@@ -308,6 +279,14 @@ QSAR (*Quantitative structure--activity relationship*) modelling.
Algorithms used within this study are described in the following
sections.
+#### Feature preprocessing
+
+MolPrint2D features were used without preprocessing. Near zero variance and
+strongly correlated CDK descriptors were removed and the remaining descriptor
+values were centered and scaled. Preprocessing was performed with the R `caret`
+preProcess function using the methods "nzv","corr","center" and "scale" with
+default settings.
+
#### Neighbour identification
Utilizing this modularity, similarity calculations were based both on
@@ -332,17 +311,18 @@ threshold) and the number of predictable compounds (low threshold). As
it is in many practical cases desirable to make predictions even in the
absence of closely related neighbours, we follow a tiered approach:
-- First a similarity threshold of 0.5 is used to collect neighbours,
- to create a local QSAR model and to make a prediction for the query
- compound. This are predictions with *high confidence*.
+- First a similarity threshold of 0.5 (MP2D/Tanimoto) or 0.9 (CDK/Cosine) is
+ used to collect neighbours, to create a local QSAR model and to make a
+ prediction for the query compound. This are predictions with *high
+ confidence*.
-- If any of these steps fails, the procedure is repeated with a
- similarity threshold of 0.2 and the prediction is flagged with a
- warning that it might be out of the applicability domain of the
- training data (*low confidence*).
+- If any of these steps fails, the procedure is repeated with a similarity
+ threshold of 0.2 (MP2D/Tanimoto) or 0.7 (CDK/Cosine) and the prediction is
+ flagged with a warning that it might be out of the applicability domain of
+ the training data (*low confidence*).
-- Similarity thresholds of 0.5 and 0.2 are the default values chosen
- by the software developers and remained unchanged during the
+- These Similarity thresholds are the default values chosen
+ by software developers and remained unchanged during the
course of these experiments.
Compounds with the same structure as the query structure are
@@ -377,6 +357,17 @@ as more distant from the applicability domain (*low confidence*). Quantitative
applicability domain information can be obtained from the similarities of
individual neighbours.
+#### Validation
+
+10-fold cross validation was performed for model evaluation.
+
+#### Pyrrolizidine alkaloid predictions
+
+For the prediction of pyrrolizidine alkaloids models were generated with the
+MP2D and CDK training datasets. The complete feature set was used for MP2D
+predictions, for CDK predictions the intersection between training and
+pyrrolizidine alkaloid features was used.
+
#### Availability
- Source code for this manuscript (GPL3):
@@ -391,107 +382,56 @@ individual neighbours.
- Public web interface:
<https://lazar.in-silico.ch>
-<!--
-### R Random Forest, Support Vector Machines, and Deep Learning
-
-The RF, SVM, and DL models were generated using the R
-software (R-project for Statistical Computing,
-<https://www.r-project.org/>*;* version 3.3.1), specific R packages used
-are identified for each step in the description below.
-
-#### Random Forest (*RF*)
-
-For the RF model, the '*randomForest*'-function (package
-'*randomForest*') was used. A forest with 1000 trees with maximal
-terminal nodes of 200 was grown for the prediction.
-
-#### Support Vector Machines (*SVM*)
-
-The '*svm*'-function (package 'e1071') with a *radial basis function
-kernel* was used for the SVM model.
-
-**TODO**: **Verena, Phillip** Sollen wir die DL Modelle ebenso wie die Tensorflow als Neural Nets (NN) bezeichnen?
-
-#### Deep Learning
-
-The DL model was generated using the '*h2o.deeplearning*'-function
-(package '*h2o*'). The DL contained four hidden layer with 70, 50, 50,
-and 10 neurons, respectively. Other hyperparameter were set as follows:
-l1=1.0E-7, l2=1.0E-11, epsilon = 1.0E-10, rho = 0.8, and quantile\_alpha
-= 0.5. For all other hyperparameter, the default values were used.
-Weights and biases were in a first step determined with an unsupervised
-DL model. These values were then used for the actual, supervised DL
-model.
-
-To validate these models, an internal cross-validation approach was
-chosen. The training dataset was randomly split in training data, which
-contained 95% of the data, and validation data, which contain 5% of the
-data. A feature selection with LASSO on the training data was performed,
-reducing the number of descriptors to approximately 100. This step was
-repeated five times. Based on each of the five different training data,
-the predictive models were trained and the performance tested with the
-validation data. This step was repeated 10 times.
-
-![Flowchart of the generation and validation of the models generated in R-project](figures/image1.png){#fig:valid}
-
-#### Applicability domain
-
-**TODO**: **Verena**: Mit welchen Deskriptoren hast Du den Jaccard index berechnet? Fuer den Jaccard index braucht man binaere Deskriptoren (zB MP2D), mit PaDEL Deskriptoren koennte man zB eine euklidische oder cosinus Distanz berechnen.
-
-The AD of the training dataset and the PA dataset was evaluated using
-the Jaccard distance. A Jaccard distance of '0' indicates that the
-substances are similar, whereas a value of '1' shows that the substances
-are different. The Jaccard distance was below 0.2 for all PAs relative
-to the training dataset. Therefore, PA dataset is within the AD of the
-training dataset and the models can be used to predict the genotoxic
-potential of the PA dataset.
-
-#### Availability
-
-R scripts for these experiments can be found in https://git.in-silico.ch/mutagenicity-paper/tree/scripts/R.
--->
-
### Tensorflow models
-**TODO**: **Philipp** Kannst Du bitte die folgenden Absaetze ergaenzen und die Vorgangsweise fuer MP2D/CDK bzw CV/PA Vorhersagen beschreiben.
+#### Feature Preprocessing
-<!--
-Data pre-processing was done by rank transformation using the
-'*QuantileTransformer*' procedure. A sequential model has been used.
-Four layers have been used: input layer, two hidden layers (with 12, 8
-and 8 nodes, respectively) and one output layer. For the output layer, a
-sigmoidal activation function and for all other layers the ReLU
-('*Rectified Linear Unit*') activation function was used. Additionally,
-a L^2^-penalty of 0.001 was used for the input layer. For training of
-the model, the ADAM algorithm was used to minimise the cross-entropy
-loss using the default parameters of Keras. Training was performed for
-100 epochs with a batch size of 64. The model was implemented with
-Python 3.6 and Keras.
-
-**TODO**: **Philipp** Ich hab die alten Ergebnisse mit feature selection weggelassen, ist das ok? Dann muesste auch dieser Absatz gestrichen werden, oder?
-
-Alternatively, a DL model was established with Python-based Tensorflow
-program (<https://www.tensorflow.org/>) using the high-level API Keras
-(<https://www.tensorflow.org/guide/keras>) to build the models.
-
-Tensorflow models used the same CDK descriptors as the R models.
--->
+For preprocessing of the CDK features we used a quantile transformation
+to a uniform distribution. MP2D features were not preprocessed.
#### Random forests (*RF*)
+For the random forest classifier we used the parameters
+n_estimators=1000and max_leaf_nodes=200. For the other parameters we
+used the scikit-learn default values.
+
#### Logistic regression (SGD) (*LR-sgd*)
+For the logistic regression we used an ensemble of five trained models.
+For each model we used a batch size of 64 and trained for 50 epoch. As
+an optimizer ADAM was chosen. For the other parameters we used the
+tensorflow default values.
+
#### Logistic regression (scikit) (*LR-scikit*)
+For the logistic regression we used as parameters the scikit-learn
+default values.
+
#### Neural Nets (*NN*)
+For the neural network we used an ensemble of five trained models. For
+each model we used a batch size of 64 and trained for 50 epoch. As an
+optimizer ADAM was chosen. The neural network had 4 hidden layers with
+64 nodes each and a ReLu activation function. For the other parameters
+we used the tensorflow default values.
+
#### Support vector machines (*SVM*)
-Validation
-----------
+We used the SVM implemented in scikit-learn. We used the parameters
+kernel='rbf', gamma='scale'. For the other parameters we used the
+scikit-learn default values.
+
+#### Validation
10-fold cross-validation was used for all Tensorflow models.
+#### Pyrrolizidine alkaloid predictions
+
+For the prediction of pyrrolizidine alkaloids we trained the model described above on the
+training data. For training and prediction only the features were used
+that were in the intersection of features from the training data and the
+pyrrolizidine alkaloids.
+
#### Availability
Jupyter notebooks for these experiments can be found at the following locations
@@ -548,32 +488,22 @@ https://git.in-silico.ch/mutagenicity-paper/tree/crossvalidations/confusion-matr
individual predictions can be found in
https://git.in-silico.ch/mutagenicity-paper/tree/crossvalidations/predictions/.
-With exception of lazar/CDK all investigated algorithm/descriptor combinations
+All investigated algorithm/descriptor combinations
give accuracies between (80 and 85%) which is equivalent to the experimental
variability of the *Salmonella typhimurium* mutagenicity bioassay (80-85%,
@Benigni1988). Sensitivities and specificities are balanced in all of
these models.
-<!--
-The most accurate crossvalidation predictions have been obtained with standard
-`lazar` models using MolPrint2D descriptors ({{cv.lazar-high-confidence.acc}}
-for predictions with high confidence, {{cv.lazar-all.acc}} for all
-predictions). Models utilizing CDK descriptors have generally lower
-accuracies ranging from {{cv.R-DL.acc}} (R deep learning) to {{cv.R-RF.acc}}
-(R/Tensorflow random forests). Sensitivity and specificity is generally well
-balanced with the exception of `lazar`-CDK (low sensitivity) and R deep
-learning (low specificity) models.
--->
-
Pyrrolizidine alkaloid mutagenicity predictions
-----------------------------------------------
-Mutagenicity predictions from all investigated models for {{pa.n}}
-pyrrolizidine alkaloids (PAs) can be downloaded from
+Mutagenicity predictions of {{pa.n}} pyrrolizidine alkaloids (PAs) from all
+investigated models can be downloaded from
<https://git.in-silico.ch/mutagenicity-paper/tree/pyrrolizidine-alkaloids/pa-predictions.csv>.
A visual representation of all PA predictions can be found at
<https://git.in-silico.ch/mutagenicity-paper/tree/pyrrolizidine-alkaloids/pa-predictions.pdf>.
+<!--
@tbl:pa-mp2d and @tbl:pa-cdk summarise the outcome of pyrrolizidine alkaloid predictions from all models with MolPrint2D and CDK descriptors.
| Model | mutagenic | non-mutagenic | Nr. predictions |
@@ -599,11 +529,19 @@ A visual representation of all PA predictions can be found at
| SVM | {{pa.cdk_svm.mut_perc}}% ({{pa.cdk_svm.mut}}) | {{pa.cdk_svm.non_mut_perc}}% ({{pa.cdk_svm.non_mut}}) | {{pa.cdk_svm.n_perc}}% ({{pa.cdk_svm.n}}) |
: Summary of CDK pyrrolizidine alkaloid predictions {#tbl:pa-cdk}
+-->
-@fig:dhp - @fig:tert display the proportion of positive mutagenicity predictions from all models for the different pyrrolizidine alkaloid groups.
+@fig:pa-groups displays the proportion of positive mutagenicity predictions
+from all models for the different pyrrolizidine alkaloid groups. Tensorflow
+models predicted all {{pa.n}} pyrrolizidine alkaloids, `lazar` MP2D models
+predicted {{pa.mp2d_lazar_all.n}} compounds
+({{pa.mp2d_lazar_high_confidence.n}} with high confidence) and `lazar` CDK
+models {{pa.cdk_lazar_all.n}} compounds ({{pa.cdk_lazar_high_confidence.n}}
+with high confidence).
-![Summary of Dehydropyrrolizidine predictions](figures/Dehydropyrrolizidine.png){#fig:dhp}
+![Summary of pyrrolizidine alkaloid predictions](figures/pa-groups.png){#fig:pa-groups}
+<!--
![Summary of Diester predictions](figures/Diester.png){#fig:die}
![Summary of Macrocyclic-diester predictions](figures/Macrocyclic.diester.png){#fig:mcdie}
@@ -619,23 +557,65 @@ A visual representation of all PA predictions can be found at
![Summary of Retronecine predictions](figures/Retronecine.png){#fig:ret}
![Summary of Tertiary PA predictions](figures/Tertiary.PA.png){#fig:tert}
-
+-->
For the visualisation of the position of pyrrolizidine alkaloids in respect to
the training data set we have applied t-distributed stochastic neighbor
-embedding (t-SNE, @Maaten2008) for MolPrint2D and CDK descriptors. t-SNE
-maps each high-dimensional object (chemical) to a two-dimensional point,
-maintaining the high-dimensional distances of the objects. Similar objects are
-represented by nearby points and dissimilar objects are represented by distant
-points.
+embedding (t-SNE, @Maaten2008) for MolPrint2D and CDK descriptors. t-SNE maps
+each high-dimensional object (chemical) to a two-dimensional point, maintaining
+the high-dimensional distances of the objects. Similar objects are represented
+by nearby points and dissimilar objects are represented by distant points.
+t-SNE coordinates were calculated with the R `Rtsne` package using the default
+settings (perplexity = 30, theta = 0.5, max_iter = 1000).
+
+@fig:tsne-mp2d shows the t-SNE of pyrrolizidine alkaloids (PA) and the
+mutagenicity training data in MP2D space (Tanimoto/Jaccard similarity), which
+resembles basically the structural diversity of the investigated compounds.
+
+![t-SNE visualisation of mutagenicity training data and pyrrolizidine alkaloids (PA) in MP2D space](figures/tsne-mp2d-mutagenicity.png){#fig:tsne-mp2d}
+
+@fig:tsne-cdk shows the t-SNE of pyrrolizidine alkaloids (PA) and the
+mutagenicity training data in CDK space (Euclidean similarity), which resembles
+basically the physical-chemical properties of the investigated compounds.
+
+![t-SNE visualisation of mutagenicity training data and pyrrolizidine alkaloids (PA) in CDK space](figures/tsne-cdk-mutagenicity.png){#fig:tsne-cdk}
-@fig:tsne-mp2d shows the t-SNE of pyrrolizidine alkaloids (PA) and the mutagenicity training data in MP2D space (Tanimoto/Jaccard similarity).
+@fig:tsne-mp2d-rf and @fig:tsne-cdk-lazar-all depict two example pyrrolizidine alkaloid
+mutagenicity predictions in the context of training data. t-SNE visualisations of all investigated models can be downloaded from <https://git.in-silico.ch/mutagenicity-paper/figures>.
-![t-SNE visualisation of mutagenicity training data and pyrrolizidine alkaloids (PA)](figures/tsne-mp2d-mutagenicity.png){#fig:tsne-mp2d}
+<!--
+![t-SNE visualisation of all MP2D lazar predictions](figures/tsne-mp2d-lazar-all-classifications.png){#fig:tsne-mp2d-lazar-all}
+
+![t-SNE visualisation of MP2D lazar high-confidence predictions](figures/tsne-mp2d-lazar-high-confidence-classifications.png){#fig:tsne-mp2d-lazar-high-confidence}
+
+![t-SNE visualisation of MP2D logistic regression (sgd) predictions](figures/tsne-mp2d-lr-classifications.png){#fig:tsne-mp2d-lr}
+
+![t-SNE visualisation of MP2D logistic regression (scikit) predictions](figures/tsne-mp2d-lr2-classifications.png){#fig:tsne-mp2d-lr2}
+
+![t-SNE visualisation of MP2D neural network predictions](figures/tsne-mp2d-nn-classifications.png){#fig:tsne-mp2d-nn}
+-->
-@fig:tsne-cdk shows the t-SNE of pyrrolizidine alkaloids (PA) and the mutagenicity training data in CDK space (Euclidean similarity).
+![t-SNE visualisation of MP2D random forest predictions](figures/tsne-mp2d-rf-classifications.png){#fig:tsne-mp2d-rf}
+
+<!--
+![t-SNE visualisation of MP2D support vector machine predictions](figures/tsne-mp2d-svm-classifications.png){#fig:tsne-mp2d-svm}
+-->
+
+![t-SNE visualisation of all CDK lazar predictions](figures/tsne-cdk-lazar-all-classifications.png){#fig:tsne-cdk-lazar-all}
+
+<!--
+![t-SNE visualisation of CDK lazar high-confidence predictions](figures/tsne-cdk-lazar-high-confidence-classifications.png){#fig:tsne-cdk-lazar-high-confidence}
-![t-SNE visualisation of mutagenicity training data and pyrrolizidine alkaloids (PA)](figures/tsne-cdk-mutagenicity.png){#fig:tsne-cdk}
+![t-SNE visualisation of CDK logistic regression (sgd) predictions](figures/tsne-cdk-lr-classifications.png){#fig:tsne-cdk-lr}
+
+![t-SNE visualisation of CDK logistic regression (scikit) predictions](figures/tsne-cdk-lr2-classifications.png){#fig:tsne-cdk-lr2}
+
+![t-SNE visualisation of CDK neural network predictions](figures/tsne-cdk-nn-classifications.png){#fig:tsne-cdk-nn}
+
+![t-SNE visualisation of CDK random forest predictions](figures/tsne-cdk-rf-classifications.png){#fig:tsne-cdk-rf}
+
+![t-SNE visualisation of CDK support vector machine predictions](figures/tsne-cdk-svm-classifications.png){#fig:tsne-cdk-svm}
+-->
Discussion
==========
@@ -657,63 +637,39 @@ Algorithms
structures for a given compound and calculates the prediction based on the
experimental data for these structures. The QSAR literature calls such models
frequently *local models*, because models are generated specifically for each
-query compound. The investigated tensorflow models are in contrast *global models*, i.e. a
-single model is used to make predictions for all compounds. It has been
-postulated in the past, that local models are more accurate, because they can
-account better for mechanisms, that affect only a subset of the training data.
-
-@tbl:cv-mp2d, @tbl:cv-cdk and @fig:roc show that all models with the exception
-of lazar-CDK have similar crossvalidation accuracies that are comparable to the
-experimental variability of the *Salmonella typhimurium* mutagenicity bioassay
-(80-85% according to @Benigni1988). All of these models have balanced
-sensitivity (true position rate) and specificity (true negative rate) and
-provide highly significant concordance with experimental data (as determined by
-McNemar's Test). This is a clear indication that *in-silico* predictions can be
-as reliable as the bioassays. Given that the variability of experimental data
-is similar to model variability it is impossible to decide which model gives
-the most accurate predictions, as models with higher accuracies (e.g. NN-CDK)
-might just approximate experimental errors better than more robust models.
-
-`lazar` predictions with CDK descriptors are a notable exception, as it has a
-much lower overall accuracy ({{lazar_all_cdk.acc}}) than all other models.
-`lazar` uses basically a k-nearest-neighbor (with variable k) and it seems that
-CDK descriptors are not very well suited for chemical similarity calculations.
-We have confirmed this independently by validating k-nn models from the `R
-caret` package, which give also sub-par accuracies (data not shown).
-
-@fig:tsne-cdk is another indication that similarity calculations with CDK
-descriptors are not as useful as fingerprint based similarities, because it
-shows a less clearer separation between chemical classes and
-mutagens/non-mutagens than @fig:tsne-mp2d. It seems that more complex models
-than simple k-nn are required to utilize CDK descriptors efficiently.
+query compound. The investigated tensorflow models are in contrast *global
+models*, i.e. a single model is used to make predictions for all compounds. It
+has been postulated in the past, that local models are more accurate, because
+they can account better for mechanisms, that affect only a subset of the
+training data.
+
+@tbl:cv-mp2d, @tbl:cv-cdk and @fig:roc show that the crossvalidation accuracies
+of all models are comparable to the experimental variability of the *Salmonella
+typhimurium* mutagenicity bioassay (80-85% according to @Benigni1988). All of
+these models have balanced sensitivity (true position rate) and specificity
+(true negative rate) and provide highly significant concordance with
+experimental data (as determined by McNemar's Test). This is a clear indication
+that *in-silico* predictions can be as reliable as the bioassays. Given that
+the variability of experimental data is similar to model variability it is
+impossible to decide which model gives the most accurate predictions, as models
+with higher accuracies might just approximate experimental errors better than
+more robust models.
Our results do not support the assumption that local models are superior to
global models for classification purposes. For regression models (lowest
observed effect level) we have found however that local models may outperform
global models (@Helma2018) with accuracies similar to experimental variability.
-<!--
-@tbl:lazar, @tbl:R, @tbl:tensorflow and @fig:roc show that the standard `lazar` algorithm (with MP2D
-fingerprints) give the most accurate crossvalidation results. R Random Forests,
-Support Vector Machines and Tensorflow models have similar accuracies with
-balanced sensitivity (true position rate) and specificity (true negative rate).
-`lazar` models with CDK descriptors have low sensitivity and R Deep Learning
-models have low specificity.
-
-The accuracy of `lazar` *in-silico* predictions are comparable to the
-interlaboratory variability of the Ames test (80-85% according to
-@Benigni1988), especially for predictions with high confidence
-({{cv.lazar-high-confidence.acc_perc}}%).
-
-The lowest number of predictions ({{cv.lazar-padel-high-confidence.n}}) has been
-obtained from `lazar`-CDK high confidence predictions, the largest number of
-predictions comes from Tensorflow models ({{cv.tensorflow-rf.v3.n}}). Standard
-`lazar` give a slightly lower number of predictions ({{cv.lazar-all.n}}) than R
-and Tensorflow models. This is not necessarily a disadvantage, because `lazar`
-abstains from predictions, if the query compound is very dissimilar from the
-compounds in the training set and thus avoids to make predictions for compounds
-out of the applicability domain.
--->
+As all investigated algorithms give similar accuracies the selection will
+depend more on practical considerations than on intrinsic properties. Nearest
+neighbor algorithms like `lazar` have the practical advantage that the
+rationales for individual predictions can be presented in a straightforward
+manner that is understandable without a background in statistics or machine
+learning (@fig:lazar). This allows a critical examination of individual
+predictions and prevents blind trust in models that are intransparent to users
+with a toxicological background.
+
+![Lazar screenshot of 12,21-Dihydroxy-4-methyl-4,8-secosenecinonan-8,11,16-trione mutagenicity prediction](figures/lazar-screenshot.png){#fig:lazar}
Descriptors
-----------
@@ -728,31 +684,15 @@ descriptors are used to determine chemical similarities in the default `lazar`
settings, and previous experiments have shown, that they give more accurate
results than predefined fingerprints (e.g. MACCS, FP2-4).
-<!--
-In order to investigate, if MP2D fingerprints are also suitable for global
-models we have tried to build R and Tensorflow models, both with and without
-unsupervised feature selection. Unfortunately none of the algorithms was
-capable to deal with the large and sparsely populated descriptor matrix. Based
-on this result we can conclude, that MolPrint2D descriptors are at the moment
-unsuitable for standard global machine learning algorithms.
-
-`lazar` does not suffer from the size and sparseness problem, because (a) it
-utilizes internally a much more efficient occurrence based representation and
-(b) it uses fingerprints only for similarity calculations and not as model
-parameters.
--->
-
*Chemistry Development Kit* (CDK, @Willighagen2017) descriptors
were calculated with the PaDEL graphical interface (@Yap2011). They include
1D and 2D topological descriptors as well as physical-chemical properties.
-With exception of `lazar` all investigated algorithms obtained models within
-the experimental variability for both types of descriptors. As discussed before
-CDK descriptors seem to be less suitable for chemical similarity calculations
-than MolPrint2D descriptors.
+All investigated algorithms obtained models within the experimental variability
+for both types of descriptors (@tbl:cv-mp2d, @tbl:cv-cdk, @fig:roc).
Given that similar predictive accuracies are obtainable from both types of
-descriptors the choice depends more on practical considerations:
+descriptors the choice depends once more on practical considerations:
MolPrint2D fragments can be calculated very efficiently for every well defined
chemical structure with OpenBabel (@OBoyle2011a). CDK descriptor calculations
@@ -771,43 +711,12 @@ efficient. Due to the large number of substructures present in training
compounds, they lead however to large and sparsely populated datasets, if they
have to be expanded to a binary matrix (e.g. as input for tensorflow models).
CDK descriptors contain in contrast in every case matrices with
-{{cv.cdk.n_descriptors}} columns.
-
-<!--
-
-**TODO**: **Verena** kannst Du bitte die Deskriptoren nochmals kurz beschreiben
-
-*CDK* descriptors were used for `lazar`, R and Tensorflow models. All models
-based on CDK descriptors had similar crossvalidation accuracies that were
-significantly lower than `lazar` MolPrint2D results. Direct comparisons are
-available only for the `lazar` algorithm, and also in this case CDK
-accuracies were lower than MolPrint2D accuracies.
-
-Based on `lazar` results we can conclude, that CDK descriptors are less
-suited for chemical similarity calculations than MP2D descriptors. It is also
-likely that CDK descriptors lead to less accurate predictions for global
-models, but we cannot draw any definitive conclusion in the absence of MP2D
-models.
-Our results seem to support this assumption, because standard `lazar` models
-with MolPrint2D descriptors perform better than global models. The accuracy of
-`lazar` models with CDK descriptors is however substantially lower and
-comparable to global models with the same descriptors.
-
-This observation may lead to the conclusion that the choice of suitable
-descriptors is more important for predictive accuracy than the modelling
-algorithm, but we were unable to obtain global MP2D models for direct
-comparisons. The selection of an appropriate modelling algorithm is still
-crucial, because it needs the capability to handle the descriptor space.
-Neighbour (and thus similarity) based algorithms like `lazar` have a clear
-advantage in this respect over global machine learning algorithms (e.g. RF, SVM,
-LR, NN), because Tanimoto/Jaccard similarities can be calculated efficiently
-with simple set operations.
--->
+{{cv.cdk.n_descriptors}} columns which can cause substantial computational overhead.
Pyrrolizidine alkaloid mutagenicity predictions
-----------------------------------------------
-@fig:dhp - @fig:tert show a clear differentiation between the different
+@fig:pa-groups shows a clear differentiation between the different
pyrrolizidine alkaloid groups. The largest proportion of mutagenic predictions
was observed for Otonecines {{pa.groups.Otonecine.mut_perc}}%
({{pa.groups.Otonecine.mut}}/{{pa.groups.Otonecine.n_pred}}), the lowest for
@@ -821,24 +730,26 @@ specificities in crossvalidation experiments some of the models (MPD-RF, CDK-RF
and CDK-SVM) predict a lower number of mutagens
({{pa.cdk_rf.mut_perc}}-{{pa.mp2d_rf.mut_perc}}%) than the majority of the
models ({{pa.mp2d_svm.mut_perc}}-{{pa.mp2d_lazar_high_confidence.mut_perc}}%
-@tbl:pa-mp2d, @tbl:pa-cdk, @fig:dhp - @fig:tert).
+(@fig:pa-groups). lazar-CDK on the other hand
+predicts the largest number of mutagens for all groups with exception of
+Otonecines.
-From a practical point we still have to face the question, how to choose model predictions, if no experimental data is available (we found two PAs in the training data, but this number is too low, to draw any general conclusions).
+These differences between predictions from different algorithms and descriptors
+were not expected based on crossvalidation results.
-<!--
-`lazar` models with MolPrint2D descriptors predicted {{pa.lazar.mp2d.all.n_perc}}%
-of the pyrrolizidine alkaloids (PAs) ({{pa.lazar.mp2d.high_confidence.n_perc}}%
-with high confidence), the remaining compounds are not within its applicability
-domain. All other models predicted 100% of the 602 compounds, indicating that
-all compounds are within their applicability domain.
-
-Mutagenicity predictions from different models show little agreement in general
-(table 4). 42 from 602 PAs have non-conflicting predictions (all of them
-non-mutagenic). Most models predict predominantly a non-mutagenic outcome for
-PAs, with exception of the R deep learning (DL) and the Tensorflow Scikit
-logistic regression models ({{pa.tf.dl.mut_perc}} and
-{{pa.tf.lr_scikit.mut_perc}}% positive predictions).
+In order to investigate, if any of the investigated models show systematic
+errors in the vicinity of pyrrolizidine-alkaloids we have performed a
+detailled t-SNE analysis of all models (see @fig:tsne-mp2d-rf and
+@fig:tsne-cdk-lazar-all for two examples, all visualisations can be found at
+<https://git.in-silico.ch/mutagenicity-paper/figures>.
+
+Nevertheless none of the models showed obvious deviations from their expected
+behaviour, so the reason for the disagreement between some of the models
+remains unclear at the moment. It is however perfectly possible that some
+systematic errors are covered up by converting high dimensional spaces to two
+coordinates and are thus invisible in t-SNE visualisations.
+<!--
non-conflicting CIDs
43040
186980
@@ -896,122 +807,8 @@ This is probably the reason why CDK models predicted all instances and the MP2D
Differences between MP2D and CDK descriptors can be explained by their specific properties: CDK calculates a fixed set of descriptors for all structures, while MolPrint2D descriptors resemble substructures that are present in a compound. For this reason there is no fixed number of MP2D descriptors, the descriptor space are all unique substructures of the training set. If a query compound contains new substructures, this is immediately reflected in a lower similarity to training compounds, which makes applicability domain estimations very straightforward. With CDK (or any other predefined descriptors), the same set of descriptors is calculated for every compound, even if a compound comes from an completely new chemical class.
From a practical point we still have to face the question, how to choose model predictions, if no experimental data is available (we found two PAs in the training data, but this number is too low, to draw any general conclusions). Based on crossvalidation results and the arguments in favor of MolPrint2D descriptors we would put the highest trust in `lazar` MolPrint2D predictions, especially in high-confidence predictions. `lazar` predictions have a accuracy comparable to experimental variability (@Helma2018) for compounds within the applicability domain. But they should not be trusted blindly. For practical purposes it is important to study the rationales (i.e. neighbors and their experimental activities) for each prediction of relevance. A freely accessible GUI for this purpose has been implemented at https://lazar.in-silico.ch.
-
-
-**TODO**: **Verena** Wenn Du lazar Ergebnisse konkret diskutieren willst, kann ich Dir ausfuehrliche Vorhersagen (mit aehnlichen Verbindungen und deren Aktivitaet) fuer einzelne Beispiele zusammenstellen
-
-Due to the low to moderate predictivity of all models, quantitative
-statement on the genotoxicity of single PAs cannot be made with
-sufficient confidence.
-
-The predictions of the SVM model did not fit with the other models or
-literature, and are therefore not further considered in the discussion.
-->
-**TODO**: **Verena** Hier ist ein alter Text von Dir zum Recylen:
-
-Necic acid
-
-The rank order of the necic acid is comparable in the four models
-considered (LAZAR, RF and DL (R-project and Tensorflow). PAs from the
-monoester type had the lowest genotoxic potential, followed by PAs from
-the open-ring diester type. PAs with macrocyclic diesters had the
-highest genotoxic potential. The result fit well with current state of
-knowledge: in general, PAs, which have a macrocyclic diesters as necic
-acid, are considered more toxic than those with an open-ring diester or
-monoester [EFSA 2011](#_ENREF_36)[Fu et al. 2004](#_ENREF_45)[Ruan et
-al. 2014b](#_ENREF_115)(; ; ).
-
-Necine base
-
-The rank order of necine base is comparable in LAZAR, RF, and DL
-(R-project) models: with platynecine being less or as genotoxic as
-retronecine, and otonecine being the most genotoxic. In the
-Tensorflow-generate DL model, platynecine also has the lowest genotoxic
-probability, but are then followed by the otonecines and last by
-retronecine. These results partly correspond to earlier published
-studies. Saturated PAs of the platynecine-type are generally accepted to
-be less or non-toxic and have been shown in *in vitro* experiments to
-form no DNA-adducts [Xia et al. 2013](#_ENREF_139)(). Therefore, it is
-striking, that 1,2-unsaturated PAs of the retronecine-type should have
-an almost comparable genotoxic potential in the LAZAR and DL (R-project)
-model. In literature, otonecine-type PAs were shown to be more toxic
-than those of the retronecine-type [Li et al. 2013](#_ENREF_80)().
-
-Modifications of necine base
-
-The group-specific results of the Tensorflow-generated DL model appear
-to reflect the expected relationship between the groups: the low
-genotoxic potential of *N*-oxides and the highest potential of
-dehydropyrrolizidines [Chen et al. 2010](#_ENREF_26)().
-
-In the LAZAR model, the genotoxic potential of dehydropyrrolizidines
-(DHP) (using the extended AD) is comparable to that of tertiary PAs.
-Since, DHP is regarded as the toxic principle in the metabolism of PAs,
-and known to produce protein- and DNA-adducts [Chen et al.
-2010](#_ENREF_26)(), the LAZAR model did not meet this expectation it
-predicted the majority of DHP as being not genotoxic. However, the
-following issues need to be considered. On the one hand, all DHP were
-outside of the stricter AD of 0.5. This indicates that in general, there
-might be a problem with the AD. In addition, DHP has two unsaturated
-double bounds in its necine base, making it highly reactive. DHP and
-other comparable molecules have a very short lifespan, and usually
-cannot be used in *in vitro* experiments. This might explain the absence
-of suitable neighbours in LAZAR.
-
-Furthermore, the probabilities for this substance groups needs to be
-considered, and not only the consolidated prediction. In the LAZAR
-model, all DHPs had probabilities for both outcomes (genotoxic and not
-genotoxic) mainly below 30%. Additionally, the probabilities for both
-outcomes were close together, often within 10% of each other. The fact
-that for both outcomes, the probabilities were low and close together,
-indicates a lower confidence in the prediction of the model for DHPs.
-
-In the DL (R-project) and RF model, *N*-oxides have a by far more
-genotoxic potential that tertiary PAs or dehydropyrrolizidines. As PA
-*N*-oxides are easily conjugated for extraction, they are generally
-considered as detoxification products, which are *in vivo* quickly
-renally eliminated [Chen et al. 2010](#_ENREF_26)(). On the other hand,
-*N*-oxides can be also back-transformed to the corresponding tertiary PA
-[Wang et al. 2005](#_ENREF_134)(). Therefore, it may be questioned,
-whether *N*-oxides themselves are generally less genotoxic than the
-corresponding tertiary PAs. However, in the groups of modification of
-the necine base, dehydropyrrolizidine, the toxic principle of PAs,
-should have had the highest genotoxic potential. Taken together, the
-predictions of the modifications of the necine base from the LAZAR, RF
-and R-generated DL model cannot - in contrast to the Tensorflow DL
-model - be considered as reliable.
-
-Overall, when comparing the prediction results of the PAs to current
-published knowledge, it can be concluded that the performance of most
-models was low to moderate. This might be contributed to the following
-issues:
-
-1. In the LAZAR model, only 26.6% PAs were within the stricter AD. With
- the extended AD, 92.3% of the PAs could be included in the
- prediction. Even though the Jaccard distance between the training
- dataset and the PA dataset for the RF, SVM, and DL (R-project and
- Tensorflow) models was small, suggesting a high similarity, the
- LAZAR indicated that PAs have only few local neighbours, which might
- adversely affect the prediction of the mutagenic potential of PAs.
-
-2. All above-mentioned models were used to predict the mutagenicity of
- PAs. PAs are generally considered to be genotoxic, and the mode of
- action is also known. Therefore, the fact that some models predict
- the majority of PAs as not genotoxic seems contradictory. To
- understand this result, the basis, the training dataset, has to be
- considered. The mutagenicity of in the training dataset are based on
- data of mutagenicity in bacteria. There are some studies, which show
- mutagenicity of PAs in the AMES test [Chen et al.
- 2010](#_ENREF_26)(). Also, [Rubiolo et al. (1992)](#_ENREF_116)
- examined several different PAs and several different extracts of
- PA-containing plants in the AMES test. They found that the AMES test
- was indeed able to detect mutagenicity of PAs, but in general,
- appeared to have a low sensitivity. The pre-incubation phase for
- metabolic activation of PAs by microsomal enzymes was the
- sensitivity-limiting step. This could very well mean that this is
- also reflected in the QSAR models.
-
Conclusions
===========
diff --git a/mutagenicity.pdf b/mutagenicity.pdf
index 33b373b..1b98269 100644
--- a/mutagenicity.pdf
+++ b/mutagenicity.pdf
Binary files differ
diff --git a/mutagenicity/mutagenicity-cdk.csv b/mutagenicity/mutagenicity-cdk.csv
index c97c9d2..2633d82 100644
--- a/mutagenicity/mutagenicity-cdk.csv
+++ b/mutagenicity/mutagenicity-cdk.csv
@@ -1,10 +1,10 @@
Canonical SMILES,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATS0m,ATS1m,ATS2m,ATS3m,ATS4m,ATS5m,ATS6m,ATS7m,ATS8m,ATS0v,ATS1v,ATS2v,ATS3v,ATS4v,ATS5v,ATS6v,ATS7v,ATS8v,ATS0e,ATS1e,ATS2e,ATS3e,ATS4e,ATS5e,ATS6e,ATS7e,ATS8e,ATS0p,ATS1p,ATS2p,ATS3p,ATS4p,ATS5p,ATS6p,ATS7p,ATS8p,ATS0i,ATS1i,ATS2i,ATS3i,ATS4i,ATS5i,ATS6i,ATS7i,ATS8i,ATS0s,ATS1s,ATS2s,ATS3s,ATS4s,ATS5s,ATS6s,ATS7s,ATS8s,AATS0m,AATS1m,AATS2m,AATS3m,AATS4m,AATS5m,AATS6m,AATS7m,AATS8m,AATS0v,AATS1v,AATS2v,AATS3v,AATS4v,AATS5v,AATS6v,AATS7v,AATS8v,AATS0e,AATS1e,AATS2e,AATS3e,AATS4e,AATS5e,AATS6e,AATS7e,AATS8e,AATS0p,AATS1p,AATS2p,AATS3p,AATS4p,AATS5p,AATS6p,AATS7p,AATS8p,AATS0i,AATS1i,AATS2i,AATS3i,AATS4i,AATS5i,AATS6i,AATS7i,AATS8i,AATS0s,AATS1s,AATS2s,AATS3s,AATS4s,AATS5s,AATS6s,AATS7s,AATS8s,ATSC0c,ATSC1c,ATSC2c,ATSC3c,ATSC4c,ATSC5c,ATSC6c,ATSC7c,ATSC8c,ATSC0m,ATSC1m,ATSC2m,ATSC3m,ATSC4m,ATSC5m,ATSC6m,ATSC7m,ATSC8m,ATSC0v,ATSC1v,ATSC2v,ATSC3v,ATSC4v,ATSC5v,ATSC6v,ATSC7v,ATSC8v,ATSC0e,ATSC1e,ATSC2e,ATSC3e,ATSC4e,ATSC5e,ATSC6e,ATSC7e,ATSC8e,ATSC0p,ATSC1p,ATSC2p,ATSC3p,ATSC4p,ATSC5p,ATSC6p,ATSC7p,ATSC8p,ATSC0i,ATSC1i,ATSC2i,ATSC3i,ATSC4i,ATSC5i,ATSC6i,ATSC7i,ATSC8i,ATSC0s,ATSC1s,ATSC2s,ATSC3s,ATSC4s,ATSC5s,ATSC6s,ATSC7s,ATSC8s,AATSC0c,AATSC1c,AATSC2c,AATSC3c,AATSC4c,AATSC5c,AATSC6c,AATSC7c,AATSC8c,AATSC0m,AATSC1m,AATSC2m,AATSC3m,AATSC4m,AATSC5m,AATSC6m,AATSC7m,AATSC8m,AATSC0v,AATSC1v,AATSC2v,AATSC3v,AATSC4v,AATSC5v,AATSC6v,AATSC7v,AATSC8v,AATSC0e,AATSC1e,AATSC2e,AATSC3e,AATSC4e,AATSC5e,AATSC6e,AATSC7e,AATSC8e,AATSC0p,AATSC1p,AATSC2p,AATSC3p,AATSC4p,AATSC5p,AATSC6p,AATSC7p,AATSC8p,AATSC0i,AATSC1i,AATSC2i,AATSC3i,AATSC4i,AATSC5i,AATSC6i,AATSC7i,AATSC8i,AATSC0s,AATSC1s,AATSC2s,AATSC3s,AATSC4s,AATSC5s,AATSC6s,AATSC7s,AATSC8s,MATS1c,MATS2c,MATS3c,MATS4c,MATS5c,MATS6c,MATS7c,MATS8c,MATS1m,MATS2m,MATS3m,MATS4m,MATS5m,MATS6m,MATS7m,MATS8m,MATS1v,MATS2v,MATS3v,MATS4v,MATS5v,MATS6v,MATS7v,MATS8v,MATS1e,MATS2e,MATS3e,MATS4e,MATS5e,MATS6e,MATS7e,MATS8e,MATS1p,MATS2p,MATS3p,MATS4p,MATS5p,MATS6p,MATS7p,MATS8p,MATS1i,MATS2i,MATS3i,MATS4i,MATS5i,MATS6i,MATS7i,MATS8i,MATS1s,MATS2s,MATS3s,MATS4s,MATS5s,MATS6s,MATS7s,MATS8s,GATS1c,GATS2c,GATS3c,GATS4c,GATS5c,GATS6c,GATS7c,GATS8c,GATS1m,GATS2m,GATS3m,GATS4m,GATS5m,GATS6m,GATS7m,GATS8m,GATS1v,GATS2v,GATS3v,GATS4v,GATS5v,GATS6v,GATS7v,GATS8v,GATS1e,GATS2e,GATS3e,GATS4e,GATS5e,GATS6e,GATS7e,GATS8e,GATS1p,GATS2p,GATS3p,GATS4p,GATS5p,GATS6p,GATS7p,GATS8p,GATS1i,GATS2i,GATS3i,GATS4i,GATS5i,GATS6i,GATS7i,GATS8i,GATS1s,GATS2s,GATS3s,GATS4s,GATS5s,GATS6s,GATS7s,GATS8s,SpAbs_DzZ,SpMax_DzZ,SpDiam_DzZ,SpAD_DzZ,SpMAD_DzZ,EE_DzZ,SM1_DzZ,VE1_DzZ,VE2_DzZ,VE3_DzZ,VR1_DzZ,VR2_DzZ,VR3_DzZ,SpAbs_Dzm,SpMax_Dzm,SpDiam_Dzm,SpAD_Dzm,SpMAD_Dzm,EE_Dzm,SM1_Dzm,VE1_Dzm,VE2_Dzm,VE3_Dzm,VR1_Dzm,VR2_Dzm,VR3_Dzm,SpAbs_Dzv,SpMax_Dzv,SpDiam_Dzv,SpAD_Dzv,SpMAD_Dzv,EE_Dzv,SM1_Dzv,VE1_Dzv,VE2_Dzv,VE3_Dzv,VR1_Dzv,VR2_Dzv,VR3_Dzv,SpAbs_Dze,SpMax_Dze,SpDiam_Dze,SpAD_Dze,SpMAD_Dze,EE_Dze,SM1_Dze,VE1_Dze,VE2_Dze,VE3_Dze,VR1_Dze,VR2_Dze,VR3_Dze,SpAbs_Dzp,SpMax_Dzp,SpDiam_Dzp,SpAD_Dzp,SpMAD_Dzp,EE_Dzp,SM1_Dzp,VE1_Dzp,VE2_Dzp,VE3_Dzp,VR1_Dzp,VR2_Dzp,VR3_Dzp,SpAbs_Dzi,SpMax_Dzi,SpDiam_Dzi,SpAD_Dzi,SpMAD_Dzi,EE_Dzi,SM1_Dzi,VE1_Dzi,VE2_Dzi,VE3_Dzi,VR1_Dzi,VR2_Dzi,VR3_Dzi,SpAbs_Dzs,SpMax_Dzs,SpDiam_Dzs,SpAD_Dzs,SpMAD_Dzs,EE_Dzs,SM1_Dzs,VE1_Dzs,VE2_Dzs,VE3_Dzs,VR1_Dzs,VR2_Dzs,VR3_Dzs,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,SpMax1_Bhm,SpMax2_Bhm,SpMax3_Bhm,SpMax4_Bhm,SpMax5_Bhm,SpMax6_Bhm,SpMax7_Bhm,SpMax8_Bhm,SpMin1_Bhm,SpMin2_Bhm,SpMin3_Bhm,SpMin4_Bhm,SpMin5_Bhm,SpMin6_Bhm,SpMin7_Bhm,SpMin8_Bhm,SpMax1_Bhv,SpMax2_Bhv,SpMax3_Bhv,SpMax4_Bhv,SpMax5_Bhv,SpMax6_Bhv,SpMax7_Bhv,SpMax8_Bhv,SpMin1_Bhv,SpMin2_Bhv,SpMin3_Bhv,SpMin4_Bhv,SpMin5_Bhv,SpMin6_Bhv,SpMin7_Bhv,SpMin8_Bhv,SpMax1_Bhe,SpMax2_Bhe,SpMax3_Bhe,SpMax4_Bhe,SpMax5_Bhe,SpMax6_Bhe,SpMax7_Bhe,SpMax8_Bhe,SpMin1_Bhe,SpMin2_Bhe,SpMin3_Bhe,SpMin4_Bhe,SpMin5_Bhe,SpMin6_Bhe,SpMin7_Bhe,SpMin8_Bhe,SpMax1_Bhp,SpMax2_Bhp,SpMax3_Bhp,SpMax4_Bhp,SpMax5_Bhp,SpMax6_Bhp,SpMax7_Bhp,SpMax8_Bhp,SpMin1_Bhp,SpMin2_Bhp,SpMin3_Bhp,SpMin4_Bhp,SpMin5_Bhp,SpMin6_Bhp,SpMin7_Bhp,SpMin8_Bhp,SpMax1_Bhi,SpMax2_Bhi,SpMax3_Bhi,SpMax4_Bhi,SpMax5_Bhi,SpMax6_Bhi,SpMax7_Bhi,SpMax8_Bhi,SpMin1_Bhi,SpMin2_Bhi,SpMin3_Bhi,SpMin4_Bhi,SpMin5_Bhi,SpMin6_Bhi,SpMin7_Bhi,SpMin8_Bhi,SpMax1_Bhs,SpMax2_Bhs,SpMax3_Bhs,SpMax4_Bhs,SpMax5_Bhs,SpMax6_Bhs,SpMax7_Bhs,SpMax8_Bhs,SpMin1_Bhs,SpMin2_Bhs,SpMin3_Bhs,SpMin4_Bhs,SpMin5_Bhs,SpMin6_Bhs,SpMin7_Bhs,SpMin8_Bhs,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,ASP-0,ASP-1,ASP-2,ASP-3,ASP-4,ASP-5,ASP-6,ASP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,AVP-0,AVP-1,AVP-2,AVP-3,AVP-4,AVP-5,AVP-6,AVP-7,Sv,Sse,Spe,Sare,Sp,Si,Mv,Mse,Mpe,Mare,Mp,Mi,CrippenLogP,CrippenMR,SpMax_Dt,SpDiam_Dt,SpAD_Dt,SpMAD_Dt,EE_Dt,VE1_Dt,VE2_Dt,VE3_Dt,VR1_Dt,VR2_Dt,VR3_Dt,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHssNH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndNH,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nssAsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,SHdNH,SHsSH,SHsNH2,SHssNH,SHaaNH,SHsNH3p,SHssNH2p,SHsssNHp,SHtCH,SHdCH2,SHdsCH,SHaaCH,SHCHnX,SHCsats,SHCsatu,SHAvin,SHother,SHmisc,SsLi,SssBe,SssssBem,SsBH2,SssBH,SsssB,SssssBm,SsCH3,SdCH2,SssCH2,StCH,SdsCH,SaaCH,SsssCH,SddC,StsC,SdssC,SaasC,SaaaC,SssssC,SsNH3p,SsNH2,SssNH2p,SdNH,SssNH,SaaNH,StN,SsssNHp,SdsN,SaaN,SsssN,SddsN,SaasN,SssssNp,SsOH,SdO,SssO,SaaO,SaOm,SsOm,SsF,SsSiH3,SssSiH2,SsssSiH,SssssSi,SsPH2,SssPH,SsssP,SdsssP,SddsP,SsssssP,SsSH,SdS,SssS,SaaS,SdssS,SddssS,SssssssS,SSm,SsCl,SsGeH3,SssGeH2,SsssGeH,SssssGe,SsAsH2,SssAsH,SsssAs,SdsssAs,SddsAs,SsssssAs,SsSeH,SdSe,SssSe,SaaSe,SdssSe,SssssssSe,SddssSe,SsBr,SsSnH3,SssSnH2,SsssSnH,SssssSn,SsI,SsPbH3,SssPbH2,SsssPbH,SssssPb,minHBd,minwHBd,minHBa,minwHBa,minHBint2,minHBint3,minHBint4,minHBint5,minHBint6,minHBint7,minHBint8,minHBint9,minHBint10,minHsOH,minHdNH,minHsSH,minHsNH2,minHssNH,minHaaNH,minHsNH3p,minHssNH2p,minHsssNHp,minHtCH,minHdCH2,minHdsCH,minHaaCH,minHCHnX,minHCsats,minHCsatu,minHAvin,minHother,minHmisc,minsLi,minssBe,minssssBem,minsBH2,minssBH,minsssB,minssssBm,minsCH3,mindCH2,minssCH2,mintCH,mindsCH,minaaCH,minsssCH,minddC,mintsC,mindssC,minaasC,minaaaC,minssssC,minsNH3p,minsNH2,minssNH2p,mindNH,minssNH,minaaNH,mintN,minsssNHp,mindsN,minaaN,minsssN,minddsN,minaasN,minssssNp,minsOH,mindO,minssO,minaaO,minaOm,minsOm,minsF,minsSiH3,minssSiH2,minsssSiH,minssssSi,minsPH2,minssPH,minsssP,mindsssP,minddsP,minsssssP,minsSH,mindS,minssS,minaaS,mindssS,minddssS,minssssssS,minSm,minsCl,minsGeH3,minssGeH2,minsssGeH,minssssGe,minsAsH2,minssAsH,minsssAs,mindsssAs,minddsAs,minsssssAs,minsSeH,mindSe,minssSe,minaaSe,mindssSe,minssssssSe,minddssSe,minsBr,minsSnH3,minssSnH2,minsssSnH,minssssSn,minsI,minsPbH3,minssPbH2,minsssPbH,minssssPb,maxHBd,maxwHBd,maxHBa,maxwHBa,maxHBint2,maxHBint3,maxHBint4,maxHBint5,maxHBint6,maxHBint7,maxHBint8,maxHBint9,maxHBint10,maxHsOH,maxHdNH,maxHsSH,maxHsNH2,maxHssNH,maxHaaNH,maxHsNH3p,maxHssNH2p,maxHsssNHp,maxHtCH,maxHdCH2,maxHdsCH,maxHaaCH,maxHCHnX,maxHCsats,maxHCsatu,maxHAvin,maxHother,maxHmisc,maxsLi,maxssBe,maxssssBem,maxsBH2,maxssBH,maxsssB,maxssssBm,maxsCH3,maxdCH2,maxssCH2,maxtCH,maxdsCH,maxaaCH,maxsssCH,maxddC,maxtsC,maxdssC,maxaasC,maxaaaC,maxssssC,maxsNH3p,maxsNH2,maxssNH2p,maxdNH,maxssNH,maxaaNH,maxtN,maxsssNHp,maxdsN,maxaaN,maxsssN,maxddsN,maxaasN,maxssssNp,maxsOH,maxdO,maxssO,maxaaO,maxaOm,maxsOm,maxsF,maxsSiH3,maxssSiH2,maxsssSiH,maxssssSi,maxsPH2,maxssPH,maxsssP,maxdsssP,maxddsP,maxsssssP,maxsSH,maxdS,maxssS,maxaaS,maxdssS,maxddssS,maxssssssS,maxSm,maxsCl,maxsGeH3,maxssGeH2,maxsssGeH,maxssssGe,maxsAsH2,maxssAsH,maxsssAs,maxdsssAs,maxddsAs,maxsssssAs,maxsSeH,maxdSe,maxssSe,maxaaSe,maxdssSe,maxssssssSe,maxddssSe,maxsBr,maxsSnH3,maxssSnH2,maxsssSnH,maxssssSn,maxsI,maxsPbH3,maxssPbH2,maxsssPbH,maxssssPb,sumI,meanI,hmax,gmax,hmin,gmin,LipoaffinityIndex,MAXDN,MAXDP,DELS,MAXDN2,MAXDP2,DELS2,ETA_Alpha,ETA_AlphaP,ETA_dAlpha_A,ETA_dAlpha_B,ETA_Epsilon_1,ETA_Epsilon_2,ETA_Epsilon_3,ETA_Epsilon_4,ETA_Epsilon_5,ETA_dEpsilon_A,ETA_dEpsilon_B,ETA_dEpsilon_C,ETA_dEpsilon_D,ETA_Psi_1,ETA_dPsi_A,ETA_dPsi_B,ETA_Shape_P,ETA_Shape_Y,ETA_Shape_X,ETA_Beta,ETA_BetaP,ETA_Beta_s,ETA_BetaP_s,ETA_Beta_ns,ETA_BetaP_ns,ETA_dBeta,ETA_dBetaP,ETA_Beta_ns_d,ETA_BetaP_ns_d,ETA_Eta,ETA_EtaP,ETA_Eta_R,ETA_Eta_F,ETA_EtaP_F,ETA_Eta_L,ETA_EtaP_L,ETA_Eta_R_L,ETA_Eta_F_L,ETA_EtaP_F_L,ETA_Eta_B,ETA_EtaP_B,ETA_Eta_B_RC,ETA_EtaP_B_RC,fragC,nHBAcc,nHBAcc2,nHBAcc3,nHBAcc_Lipinski,nHBDon,nHBDon_Lipinski,HybRatio,IC0,IC1,IC2,IC3,IC4,IC5,TIC0,TIC1,TIC2,TIC3,TIC4,TIC5,SIC0,SIC1,SIC2,SIC3,SIC4,SIC5,CIC0,CIC1,CIC2,CIC3,CIC4,CIC5,BIC0,BIC1,BIC2,BIC3,BIC4,BIC5,MIC0,MIC1,MIC2,MIC3,MIC4,MIC5,ZMIC0,ZMIC1,ZMIC2,ZMIC3,ZMIC4,ZMIC5,Kier1,Kier2,nAtomLC,nAtomP,nAtomLAC,MLogP,McGowan_Volume,MDEC-11,MDEC-12,MDEC-13,MDEC-14,MDEC-22,MDEC-23,MDEC-24,MDEC-33,MDEC-34,MDEC-44,MDEO-11,MDEO-12,MDEO-22,MDEN-11,MDEN-12,MDEN-13,MDEN-22,MDEN-23,MDEN-33,MLFER_A,MLFER_BH,MLFER_BO,MLFER_S,MLFER_E,MLFER_L,MPC2,MPC3,MPC4,MPC5,MPC6,MPC7,MPC8,MPC9,MPC10,TPC,piPC1,piPC2,piPC3,piPC4,piPC5,piPC6,piPC7,piPC8,piPC9,piPC10,TpiPC,R_TpiPCTPC,PetitjeanNumber,nRing,n3Ring,n4Ring,n5Ring,n6Ring,n7Ring,n8Ring,n9Ring,n10Ring,n11Ring,n12Ring,nG12Ring,nFRing,nF4Ring,nF5Ring,nF6Ring,nF7Ring,nF8Ring,nF9Ring,nF10Ring,nF11Ring,nF12Ring,nFG12Ring,nTRing,nT4Ring,nT5Ring,nT6Ring,nT7Ring,nT8Ring,nT9Ring,nT10Ring,nT11Ring,nT12Ring,nTG12Ring,nHeteroRing,n3HeteroRing,n4HeteroRing,n5HeteroRing,n6HeteroRing,n7HeteroRing,n8HeteroRing,n9HeteroRing,n10HeteroRing,n11HeteroRing,n12HeteroRing,nG12HeteroRing,nFHeteroRing,nF4HeteroRing,nF5HeteroRing,nF6HeteroRing,nF7HeteroRing,nF8HeteroRing,nF9HeteroRing,nF10HeteroRing,nF11HeteroRing,nF12HeteroRing,nFG12HeteroRing,nTHeteroRing,nT4HeteroRing,nT5HeteroRing,nT6HeteroRing,nT7HeteroRing,nT8HeteroRing,nT9HeteroRing,nT10HeteroRing,nT11HeteroRing,nT12HeteroRing,nTG12HeteroRing,nRotB,RotBFrac,nRotBt,RotBtFrac,LipinskiFailures,topoRadius,topoDiameter,topoShape,GGI1,GGI2,GGI3,GGI4,GGI5,GGI6,GGI7,GGI8,GGI9,GGI10,JGI1,JGI2,JGI3,JGI4,JGI5,JGI6,JGI7,JGI8,JGI9,JGI10,JGT,SpMax_D,SpDiam_D,SpAD_D,SpMAD_D,EE_D,VE1_D,VE2_D,VE3_D,VR1_D,VR2_D,VR3_D,TopoPSA,VABC,VAdjMat,MWC2,MWC3,MWC4,MWC5,MWC6,MWC7,MWC8,MWC9,MWC10,TWC,SRW2,SRW3,SRW4,SRW5,SRW6,SRW7,SRW8,SRW9,SRW10,TSRW,MW,AMW,WTPT-1,WTPT-2,WTPT-3,WTPT-4,WTPT-5,WPATH,WPOL,XLogP,Zagreb
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diff --git a/mutagenicity/src/mutagenicity-mod-2.new.csv b/mutagenicity/src/mutagenicity-mod-2.new.csv
index 046efac..5eedfa8 100644
--- a/mutagenicity/src/mutagenicity-mod-2.new.csv
+++ b/mutagenicity/src/mutagenicity-mod-2.new.csv
@@ -1,10 +1,10 @@
Canonical SMILES,Mutagenicity_bin,nAcid,ALogP,ALogp2,AMR,apol,naAromAtom,nAromBond,nAtom,nHeavyAtom,nH,nB,nC,nN,nO,nS,nP,nF,nCl,nBr,nI,nX,ATS0m,ATS1m,ATS2m,ATS3m,ATS4m,ATS5m,ATS6m,ATS7m,ATS8m,ATS0v,ATS1v,ATS2v,ATS3v,ATS4v,ATS5v,ATS6v,ATS7v,ATS8v,ATS0e,ATS1e,ATS2e,ATS3e,ATS4e,ATS5e,ATS6e,ATS7e,ATS8e,ATS0p,ATS1p,ATS2p,ATS3p,ATS4p,ATS5p,ATS6p,ATS7p,ATS8p,ATS0i,ATS1i,ATS2i,ATS3i,ATS4i,ATS5i,ATS6i,ATS7i,ATS8i,ATS0s,ATS1s,ATS2s,ATS3s,ATS4s,ATS5s,ATS6s,ATS7s,ATS8s,AATS0m,AATS1m,AATS2m,AATS3m,AATS4m,AATS5m,AATS6m,AATS7m,AATS8m,AATS0v,AATS1v,AATS2v,AATS3v,AATS4v,AATS5v,AATS6v,AATS7v,AATS8v,AATS0e,AATS1e,AATS2e,AATS3e,AATS4e,AATS5e,AATS6e,AATS7e,AATS8e,AATS0p,AATS1p,AATS2p,AATS3p,AATS4p,AATS5p,AATS6p,AATS7p,AATS8p,AATS0i,AATS1i,AATS2i,AATS3i,AATS4i,AATS5i,AATS6i,AATS7i,AATS8i,AATS0s,AATS1s,AATS2s,AATS3s,AATS4s,AATS5s,AATS6s,AATS7s,AATS8s,ATSC0c,ATSC1c,ATSC2c,ATSC3c,ATSC4c,ATSC5c,ATSC6c,ATSC7c,ATSC8c,ATSC0m,ATSC1m,ATSC2m,ATSC3m,ATSC4m,ATSC5m,ATSC6m,ATSC7m,ATSC8m,ATSC0v,ATSC1v,ATSC2v,ATSC3v,ATSC4v,ATSC5v,ATSC6v,ATSC7v,ATSC8v,ATSC0e,ATSC1e,ATSC2e,ATSC3e,ATSC4e,ATSC5e,ATSC6e,ATSC7e,ATSC8e,ATSC0p,ATSC1p,ATSC2p,ATSC3p,ATSC4p,ATSC5p,ATSC6p,ATSC7p,ATSC8p,ATSC0i,ATSC1i,ATSC2i,ATSC3i,ATSC4i,ATSC5i,ATSC6i,ATSC7i,ATSC8i,ATSC0s,ATSC1s,ATSC2s,ATSC3s,ATSC4s,ATSC5s,ATSC6s,ATSC7s,ATSC8s,AATSC0c,AATSC1c,AATSC2c,AATSC3c,AATSC4c,AATSC5c,AATSC6c,AATSC7c,AATSC8c,AATSC0m,AATSC1m,AATSC2m,AATSC3m,AATSC4m,AATSC5m,AATSC6m,AATSC7m,AATSC8m,AATSC0v,AATSC1v,AATSC2v,AATSC3v,AATSC4v,AATSC5v,AATSC6v,AATSC7v,AATSC8v,AATSC0e,AATSC1e,AATSC2e,AATSC3e,AATSC4e,AATSC5e,AATSC6e,AATSC7e,AATSC8e,AATSC0p,AATSC1p,AATSC2p,AATSC3p,AATSC4p,AATSC5p,AATSC6p,AATSC7p,AATSC8p,AATSC0i,AATSC1i,AATSC2i,AATSC3i,AATSC4i,AATSC5i,AATSC6i,AATSC7i,AATSC8i,AATSC0s,AATSC1s,AATSC2s,AATSC3s,AATSC4s,AATSC5s,AATSC6s,AATSC7s,AATSC8s,MATS1c,MATS2c,MATS3c,MATS4c,MATS5c,MATS6c,MATS7c,MATS8c,MATS1m,MATS2m,MATS3m,MATS4m,MATS5m,MATS6m,MATS7m,MATS8m,MATS1v,MATS2v,MATS3v,MATS4v,MATS5v,MATS6v,MATS7v,MATS8v,MATS1e,MATS2e,MATS3e,MATS4e,MATS5e,MATS6e,MATS7e,MATS8e,MATS1p,MATS2p,MATS3p,MATS4p,MATS5p,MATS6p,MATS7p,MATS8p,MATS1i,MATS2i,MATS3i,MATS4i,MATS5i,MATS6i,MATS7i,MATS8i,MATS1s,MATS2s,MATS3s,MATS4s,MATS5s,MATS6s,MATS7s,MATS8s,GATS1c,GATS2c,GATS3c,GATS4c,GATS5c,GATS6c,GATS7c,GATS8c,GATS1m,GATS2m,GATS3m,GATS4m,GATS5m,GATS6m,GATS7m,GATS8m,GATS1v,GATS2v,GATS3v,GATS4v,GATS5v,GATS6v,GATS7v,GATS8v,GATS1e,GATS2e,GATS3e,GATS4e,GATS5e,GATS6e,GATS7e,GATS8e,GATS1p,GATS2p,GATS3p,GATS4p,GATS5p,GATS6p,GATS7p,GATS8p,GATS1i,GATS2i,GATS3i,GATS4i,GATS5i,GATS6i,GATS7i,GATS8i,GATS1s,GATS2s,GATS3s,GATS4s,GATS5s,GATS6s,GATS7s,GATS8s,SpAbs_DzZ,SpMax_DzZ,SpDiam_DzZ,SpAD_DzZ,SpMAD_DzZ,EE_DzZ,SM1_DzZ,VE1_DzZ,VE2_DzZ,VE3_DzZ,VR1_DzZ,VR2_DzZ,VR3_DzZ,SpAbs_Dzm,SpMax_Dzm,SpDiam_Dzm,SpAD_Dzm,SpMAD_Dzm,EE_Dzm,SM1_Dzm,VE1_Dzm,VE2_Dzm,VE3_Dzm,VR1_Dzm,VR2_Dzm,VR3_Dzm,SpAbs_Dzv,SpMax_Dzv,SpDiam_Dzv,SpAD_Dzv,SpMAD_Dzv,EE_Dzv,SM1_Dzv,VE1_Dzv,VE2_Dzv,VE3_Dzv,VR1_Dzv,VR2_Dzv,VR3_Dzv,SpAbs_Dze,SpMax_Dze,SpDiam_Dze,SpAD_Dze,SpMAD_Dze,EE_Dze,SM1_Dze,VE1_Dze,VE2_Dze,VE3_Dze,VR1_Dze,VR2_Dze,VR3_Dze,SpAbs_Dzp,SpMax_Dzp,SpDiam_Dzp,SpAD_Dzp,SpMAD_Dzp,EE_Dzp,SM1_Dzp,VE1_Dzp,VE2_Dzp,VE3_Dzp,VR1_Dzp,VR2_Dzp,VR3_Dzp,SpAbs_Dzi,SpMax_Dzi,SpDiam_Dzi,SpAD_Dzi,SpMAD_Dzi,EE_Dzi,SM1_Dzi,VE1_Dzi,VE2_Dzi,VE3_Dzi,VR1_Dzi,VR2_Dzi,VR3_Dzi,SpAbs_Dzs,SpMax_Dzs,SpDiam_Dzs,SpAD_Dzs,SpMAD_Dzs,EE_Dzs,SM1_Dzs,VE1_Dzs,VE2_Dzs,VE3_Dzs,VR1_Dzs,VR2_Dzs,VR3_Dzs,nBase,BCUTw-1l,BCUTw-1h,BCUTc-1l,BCUTc-1h,BCUTp-1l,BCUTp-1h,nBonds,nBonds2,nBondsS,nBondsS2,nBondsS3,nBondsD,nBondsD2,nBondsT,nBondsQ,nBondsM,bpol,SpMax1_Bhm,SpMax2_Bhm,SpMax3_Bhm,SpMax4_Bhm,SpMax5_Bhm,SpMax6_Bhm,SpMax7_Bhm,SpMax8_Bhm,SpMin1_Bhm,SpMin2_Bhm,SpMin3_Bhm,SpMin4_Bhm,SpMin5_Bhm,SpMin6_Bhm,SpMin7_Bhm,SpMin8_Bhm,SpMax1_Bhv,SpMax2_Bhv,SpMax3_Bhv,SpMax4_Bhv,SpMax5_Bhv,SpMax6_Bhv,SpMax7_Bhv,SpMax8_Bhv,SpMin1_Bhv,SpMin2_Bhv,SpMin3_Bhv,SpMin4_Bhv,SpMin5_Bhv,SpMin6_Bhv,SpMin7_Bhv,SpMin8_Bhv,SpMax1_Bhe,SpMax2_Bhe,SpMax3_Bhe,SpMax4_Bhe,SpMax5_Bhe,SpMax6_Bhe,SpMax7_Bhe,SpMax8_Bhe,SpMin1_Bhe,SpMin2_Bhe,SpMin3_Bhe,SpMin4_Bhe,SpMin5_Bhe,SpMin6_Bhe,SpMin7_Bhe,SpMin8_Bhe,SpMax1_Bhp,SpMax2_Bhp,SpMax3_Bhp,SpMax4_Bhp,SpMax5_Bhp,SpMax6_Bhp,SpMax7_Bhp,SpMax8_Bhp,SpMin1_Bhp,SpMin2_Bhp,SpMin3_Bhp,SpMin4_Bhp,SpMin5_Bhp,SpMin6_Bhp,SpMin7_Bhp,SpMin8_Bhp,SpMax1_Bhi,SpMax2_Bhi,SpMax3_Bhi,SpMax4_Bhi,SpMax5_Bhi,SpMax6_Bhi,SpMax7_Bhi,SpMax8_Bhi,SpMin1_Bhi,SpMin2_Bhi,SpMin3_Bhi,SpMin4_Bhi,SpMin5_Bhi,SpMin6_Bhi,SpMin7_Bhi,SpMin8_Bhi,SpMax1_Bhs,SpMax2_Bhs,SpMax3_Bhs,SpMax4_Bhs,SpMax5_Bhs,SpMax6_Bhs,SpMax7_Bhs,SpMax8_Bhs,SpMin1_Bhs,SpMin2_Bhs,SpMin3_Bhs,SpMin4_Bhs,SpMin5_Bhs,SpMin6_Bhs,SpMin7_Bhs,SpMin8_Bhs,C1SP1,C2SP1,C1SP2,C2SP2,C3SP2,C1SP3,C2SP3,C3SP3,C4SP3,SCH-3,SCH-4,SCH-5,SCH-6,SCH-7,VCH-3,VCH-4,VCH-5,VCH-6,VCH-7,SC-3,SC-4,SC-5,SC-6,VC-3,VC-4,VC-5,VC-6,SPC-4,SPC-5,SPC-6,VPC-4,VPC-5,VPC-6,SP-0,SP-1,SP-2,SP-3,SP-4,SP-5,SP-6,SP-7,ASP-0,ASP-1,ASP-2,ASP-3,ASP-4,ASP-5,ASP-6,ASP-7,VP-0,VP-1,VP-2,VP-3,VP-4,VP-5,VP-6,VP-7,AVP-0,AVP-1,AVP-2,AVP-3,AVP-4,AVP-5,AVP-6,AVP-7,Sv,Sse,Spe,Sare,Sp,Si,Mv,Mse,Mpe,Mare,Mp,Mi,CrippenLogP,CrippenMR,SpMax_Dt,SpDiam_Dt,SpAD_Dt,SpMAD_Dt,EE_Dt,VE1_Dt,VE2_Dt,VE3_Dt,VR1_Dt,VR2_Dt,VR3_Dt,ECCEN,nHBd,nwHBd,nHBa,nwHBa,nHBint2,nHBint3,nHBint4,nHBint5,nHBint6,nHBint7,nHBint8,nHBint9,nHBint10,nHsOH,nHdNH,nHsSH,nHsNH2,nHssNH,nHaaNH,nHsNH3p,nHssNH2p,nHsssNHp,nHtCH,nHdCH2,nHdsCH,nHaaCH,nHCHnX,nHCsats,nHCsatu,nHAvin,nHother,nHmisc,nsLi,nssBe,nssssBem,nsBH2,nssBH,nsssB,nssssBm,nsCH3,ndCH2,nssCH2,ntCH,ndsCH,naaCH,nsssCH,nddC,ntsC,ndssC,naasC,naaaC,nssssC,nsNH3p,nsNH2,nssNH2p,ndNH,nssNH,naaNH,ntN,nsssNHp,ndsN,naaN,nsssN,nddsN,naasN,nssssNp,nsOH,ndO,nssO,naaO,naOm,nsOm,nsF,nsSiH3,nssSiH2,nsssSiH,nssssSi,nsPH2,nssPH,nsssP,ndsssP,nddsP,nsssssP,nsSH,ndS,nssS,naaS,ndssS,nddssS,nssssssS,nSm,nsCl,nsGeH3,nssGeH2,nsssGeH,nssssGe,nsAsH2,nssAsH,nsssAs,ndsssAs,nddsAs,nsssssAs,nsSeH,ndSe,nssSe,naaSe,ndssSe,nssssssSe,nddssSe,nsBr,nsSnH3,nssSnH2,nsssSnH,nssssSn,nsI,nsPbH3,nssPbH2,nsssPbH,nssssPb,SHBd,SwHBd,SHBa,SwHBa,SHBint2,SHBint3,SHBint4,SHBint5,SHBint6,SHBint7,SHBint8,SHBint9,SHBint10,SHsOH,SHdNH,SHsSH,SHsNH2,SHssNH,SHaaNH,SHsNH3p,SHssNH2p,SHsssNHp,SHtCH,SHdCH2,SHdsCH,SHaaCH,SHCHnX,SHCsats,SHCsatu,SHAvin,SHother,SHmisc,SsLi,SssBe,SssssBem,SsBH2,SssBH,SsssB,SssssBm,SsCH3,SdCH2,SssCH2,StCH,SdsCH,SaaCH,SsssCH,SddC,StsC,SdssC,SaasC,SaaaC,SssssC,SsNH3p,SsNH2,SssNH2p,SdNH,SssNH,SaaNH,StN,SsssNHp,SdsN,SaaN,SsssN,SddsN,SaasN,SssssNp,SsOH,SdO,SssO,SaaO,SaOm,SsOm,SsF,SsSiH3,SssSiH2,SsssSiH,SssssSi,SsPH2,SssPH,SsssP,SdsssP,SddsP,SsssssP,SsSH,SdS,SssS,SaaS,SdssS,SddssS,SssssssS,SSm,SsCl,SsGeH3,SssGeH2,SsssGeH,SssssGe,SsAsH2,SssAsH,SsssAs,SdsssAs,SddsAs,SsssssAs,SsSeH,SdSe,SssSe,SaaSe,SdssSe,SssssssSe,SddssSe,SsBr,SsSnH3,SssSnH2,SsssSnH,SssssSn,SsI,SsPbH3,SssPbH2,SsssPbH,SssssPb,minHBd,minwHBd,minHBa,minwHBa,minHBint2,minHBint3,minHBint4,minHBint5,minHBint6,minHBint7,minHBint8,minHBint9,minHBint10,minHsOH,minHdNH,minHsSH,minHsNH2,minHssNH,minHaaNH,minHsNH3p,minHssNH2p,minHsssNHp,minHtCH,minHdCH2,minHdsCH,minHaaCH,minHCHnX,minHCsats,minHCsatu,minHAvin,minHother,minHmisc,minsLi,minssBe,minssssBem,minsBH2,minssBH,minsssB,minssssBm,minsCH3,mindCH2,minssCH2,mintCH,mindsCH,minaaCH,minsssCH,minddC,mintsC,mindssC,minaasC,minaaaC,minssssC,minsNH3p,minsNH2,minssNH2p,mindNH,minssNH,minaaNH,mintN,minsssNHp,mindsN,minaaN,minsssN,minddsN,minaasN,minssssNp,minsOH,mindO,minssO,minaaO,minaOm,minsOm,minsF,minsSiH3,minssSiH2,minsssSiH,minssssSi,minsPH2,minssPH,minsssP,mindsssP,minddsP,minsssssP,minsSH,mindS,minssS,minaaS,mindssS,minddssS,minssssssS,minSm,minsCl,minsGeH3,minssGeH2,minsssGeH,minssssGe,minsAsH2,minssAsH,minsssAs,mindsssAs,minddsAs,minsssssAs,minsSeH,mindSe,minssSe,minaaSe,mindssSe,minssssssSe,minddssSe,minsBr,minsSnH3,minssSnH2,minsssSnH,minssssSn,minsI,minsPbH3,minssPbH2,minsssPbH,minssssPb,maxHBd,maxwHBd,maxHBa,maxwHBa,maxHBint2,maxHBint3,maxHBint4,maxHBint5,maxHBint6,maxHBint7,maxHBint8,maxHBint9,maxHBint10,maxHsOH,maxHdNH,maxHsSH,maxHsNH2,maxHssNH,maxHaaNH,maxHsNH3p,maxHssNH2p,maxHsssNHp,maxHtCH,maxHdCH2,maxHdsCH,maxHaaCH,maxHCHnX,maxHCsats,maxHCsatu,maxHAvin,maxHother,maxHmisc,maxsLi,maxssBe,maxssssBem,maxsBH2,maxssBH,maxsssB,maxssssBm,maxsCH3,maxdCH2,maxssCH2,maxtCH,maxdsCH,maxaaCH,maxsssCH,maxddC,maxtsC,maxdssC,maxaasC,maxaaaC,maxssssC,maxsNH3p,maxsNH2,maxssNH2p,maxdNH,maxssNH,maxaaNH,maxtN,maxsssNHp,maxdsN,maxaaN,maxsssN,maxddsN,maxaasN,maxssssNp,maxsOH,maxdO,maxssO,maxaaO,maxaOm,maxsOm,maxsF,maxsSiH3,maxssSiH2,maxsssSiH,maxssssSi,maxsPH2,maxssPH,maxsssP,maxdsssP,maxddsP,maxsssssP,maxsSH,maxdS,maxssS,maxaaS,maxdssS,maxddssS,maxssssssS,maxSm,maxsCl,maxsGeH3,maxssGeH2,maxsssGeH,maxssssGe,maxsAsH2,maxssAsH,maxsssAs,maxdsssAs,maxddsAs,maxsssssAs,maxsSeH,maxdSe,maxssSe,maxaaSe,maxdssSe,maxssssssSe,maxddssSe,maxsBr,maxsSnH3,maxssSnH2,maxsssSnH,maxssssSn,maxsI,maxsPbH3,maxssPbH2,maxsssPbH,maxssssPb,sumI,meanI,hmax,gmax,hmin,gmin,LipoaffinityIndex,MAXDN,MAXDP,DELS,MAXDN2,MAXDP2,DELS2,ETA_Alpha,ETA_AlphaP,ETA_dAlpha_A,ETA_dAlpha_B,ETA_Epsilon_1,ETA_Epsilon_2,ETA_Epsilon_3,ETA_Epsilon_4,ETA_Epsilon_5,ETA_dEpsilon_A,ETA_dEpsilon_B,ETA_dEpsilon_C,ETA_dEpsilon_D,ETA_Psi_1,ETA_dPsi_A,ETA_dPsi_B,ETA_Shape_P,ETA_Shape_Y,ETA_Shape_X,ETA_Beta,ETA_BetaP,ETA_Beta_s,ETA_BetaP_s,ETA_Beta_ns,ETA_BetaP_ns,ETA_dBeta,ETA_dBetaP,ETA_Beta_ns_d,ETA_BetaP_ns_d,ETA_Eta,ETA_EtaP,ETA_Eta_R,ETA_Eta_F,ETA_EtaP_F,ETA_Eta_L,ETA_EtaP_L,ETA_Eta_R_L,ETA_Eta_F_L,ETA_EtaP_F_L,ETA_Eta_B,ETA_EtaP_B,ETA_Eta_B_RC,ETA_EtaP_B_RC,fragC,nHBAcc,nHBAcc2,nHBAcc3,nHBAcc_Lipinski,nHBDon,nHBDon_Lipinski,HybRatio,IC0,IC1,IC2,IC3,IC4,IC5,TIC0,TIC1,TIC2,TIC3,TIC4,TIC5,SIC0,SIC1,SIC2,SIC3,SIC4,SIC5,CIC0,CIC1,CIC2,CIC3,CIC4,CIC5,BIC0,BIC1,BIC2,BIC3,BIC4,BIC5,MIC0,MIC1,MIC2,MIC3,MIC4,MIC5,ZMIC0,ZMIC1,ZMIC2,ZMIC3,ZMIC4,ZMIC5,Kier1,Kier2,nAtomLC,nAtomP,nAtomLAC,MLogP,McGowan_Volume,MDEC-11,MDEC-12,MDEC-13,MDEC-14,MDEC-22,MDEC-23,MDEC-24,MDEC-33,MDEC-34,MDEC-44,MDEO-11,MDEO-12,MDEO-22,MDEN-11,MDEN-12,MDEN-13,MDEN-22,MDEN-23,MDEN-33,MLFER_A,MLFER_BH,MLFER_BO,MLFER_S,MLFER_E,MLFER_L,MPC2,MPC3,MPC4,MPC5,MPC6,MPC7,MPC8,MPC9,MPC10,TPC,piPC1,piPC2,piPC3,piPC4,piPC5,piPC6,piPC7,piPC8,piPC9,piPC10,TpiPC,R_TpiPCTPC,PetitjeanNumber,nRing,n3Ring,n4Ring,n5Ring,n6Ring,n7Ring,n8Ring,n9Ring,n10Ring,n11Ring,n12Ring,nG12Ring,nFRing,nF4Ring,nF5Ring,nF6Ring,nF7Ring,nF8Ring,nF9Ring,nF10Ring,nF11Ring,nF12Ring,nFG12Ring,nTRing,nT4Ring,nT5Ring,nT6Ring,nT7Ring,nT8Ring,nT9Ring,nT10Ring,nT11Ring,nT12Ring,nTG12Ring,nHeteroRing,n3HeteroRing,n4HeteroRing,n5HeteroRing,n6HeteroRing,n7HeteroRing,n8HeteroRing,n9HeteroRing,n10HeteroRing,n11HeteroRing,n12HeteroRing,nG12HeteroRing,nFHeteroRing,nF4HeteroRing,nF5HeteroRing,nF6HeteroRing,nF7HeteroRing,nF8HeteroRing,nF9HeteroRing,nF10HeteroRing,nF11HeteroRing,nF12HeteroRing,nFG12HeteroRing,nTHeteroRing,nT4HeteroRing,nT5HeteroRing,nT6HeteroRing,nT7HeteroRing,nT8HeteroRing,nT9HeteroRing,nT10HeteroRing,nT11HeteroRing,nT12HeteroRing,nTG12HeteroRing,nRotB,RotBFrac,nRotBt,RotBtFrac,LipinskiFailures,topoRadius,topoDiameter,topoShape,GGI1,GGI2,GGI3,GGI4,GGI5,GGI6,GGI7,GGI8,GGI9,GGI10,JGI1,JGI2,JGI3,JGI4,JGI5,JGI6,JGI7,JGI8,JGI9,JGI10,JGT,SpMax_D,SpDiam_D,SpAD_D,SpMAD_D,EE_D,VE1_D,VE2_D,VE3_D,VR1_D,VR2_D,VR3_D,TopoPSA,VABC,VAdjMat,MWC2,MWC3,MWC4,MWC5,MWC6,MWC7,MWC8,MWC9,MWC10,TWC,SRW2,SRW3,SRW4,SRW5,SRW6,SRW7,SRW8,SRW9,SRW10,TSRW,MW,AMW,WTPT-1,WTPT-2,WTPT-3,WTPT-4,WTPT-5,WPATH,WPOL,XLogP,Zagreb
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diff --git a/pyrrolizidine-alkaloids/cdk/lazar-all.csv b/pyrrolizidine-alkaloids/cdk/lazar-all.csv
index 7a07945..1149b38 100644
--- a/pyrrolizidine-alkaloids/cdk/lazar-all.csv
+++ b/pyrrolizidine-alkaloids/cdk/lazar-all.csv
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diff --git a/pyrrolizidine-alkaloids/cdk/lazar-high-confidence.csv b/pyrrolizidine-alkaloids/cdk/lazar-high-confidence.csv
index 204e92f..69e6945 100644
--- a/pyrrolizidine-alkaloids/cdk/lazar-high-confidence.csv
+++ b/pyrrolizidine-alkaloids/cdk/lazar-high-confidence.csv
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diff --git a/pyrrolizidine-alkaloids/pa-cids-groups-predictions.csv b/pyrrolizidine-alkaloids/pa-cids-groups-predictions.csv
new file mode 100644
index 0000000..918176b
--- /dev/null
+++ b/pyrrolizidine-alkaloids/pa-cids-groups-predictions.csv
@@ -0,0 +1,603 @@
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diff --git a/pyrrolizidine-alkaloids/pa-predictions.csv b/pyrrolizidine-alkaloids/pa-predictions.csv
index fa036f9..81c46e8 100644
--- a/pyrrolizidine-alkaloids/pa-predictions.csv
+++ b/pyrrolizidine-alkaloids/pa-predictions.csv
@@ -1,603 +1,603 @@
Canonical SMILES,mp2d-lazar-all,mp2d-lazar-high-confidence,mp2d-rf,mp2d-lr,mp2d-lr2,mp2d-nn,mp2d-svm,cdk-lazar-all,cdk-lazar-high-confidence,cdk-rf,cdk-lr,cdk-lr2,cdk-nn,cdk-svm
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diff --git a/pyrrolizidine-alkaloids/pa-predictions.pdf b/pyrrolizidine-alkaloids/pa-predictions.pdf
index 27647b8..5f1ccdc 100644
--- a/pyrrolizidine-alkaloids/pa-predictions.pdf
+++ b/pyrrolizidine-alkaloids/pa-predictions.pdf
Binary files differ
diff --git a/pyrrolizidine-alkaloids/pa-predictions.tex b/pyrrolizidine-alkaloids/pa-predictions.tex
index f16e8ae..c2001f0 100644
--- a/pyrrolizidine-alkaloids/pa-predictions.tex
+++ b/pyrrolizidine-alkaloids/pa-predictions.tex
@@ -19,365 +19,365 @@
1 & 2 & 3 & 4 & 5 & 6 & 7 & 8 & 9 & lazar & RF & LR & LR2 & NN & SVM & lazar & RF & LR & LR2 & NN & SVM\\
\hline
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+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
@@ -385,170 +385,170 @@
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
@@ -560,66 +560,66 @@
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{red} & \cellcolor{red} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
-\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
+\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkred} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{grey} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{black} & \cellcolor{white} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{darkgreen} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} & \cellcolor{green} \\
\end{longtable}
diff --git a/pyrrolizidine-alkaloids/summary.yaml b/pyrrolizidine-alkaloids/summary.yaml
index ca80117..6fb8803 100644
--- a/pyrrolizidine-alkaloids/summary.yaml
+++ b/pyrrolizidine-alkaloids/summary.yaml
@@ -51,19 +51,19 @@
:mut_perc: 14
:non_mut_perc: 86
:cdk_lazar_all:
- :n: 560
- :mut: 111
- :non_mut: 449
- :n_perc: 93
- :mut_perc: 20
- :non_mut_perc: 80
+ :n: 500
+ :mut: 193
+ :non_mut: 307
+ :n_perc: 83
+ :mut_perc: 39
+ :non_mut_perc: 61
:cdk_lazar_high_confidence:
- :n: 301
- :mut: 76
- :non_mut: 225
- :n_perc: 50
- :mut_perc: 25
- :non_mut_perc: 75
+ :n: 246
+ :mut: 111
+ :non_mut: 135
+ :n_perc: 41
+ :mut_perc: 45
+ :non_mut_perc: 55
:cdk_rf:
:n: 602
:mut: 10
diff --git a/scripts/cv-pa-classifications.rb b/scripts/cv-pa-classifications.rb
new file mode 100755
index 0000000..fe64078
--- /dev/null
+++ b/scripts/cv-pa-classifications.rb
@@ -0,0 +1,26 @@
+#!/usr/bin/env ruby
+
+classifications = {}
+File.readlines(ARGV[1]).each do |l|
+ smi,c = l.chomp.split(",")
+ classifications[smi] = c
+end
+lines = File.readlines(ARGV[2])
+lines.shift
+lines.each do |l|
+ smi,c = l.chomp.split(",")
+ if c == "1"
+ classifications[smi] = "PA-mutagenic"
+ elsif c == "0"
+ classifications[smi] = "PA-nonmutagenic"
+ else
+ classifications[smi] = "PA-NA"
+ end
+end
+lines=File.readlines(ARGV[0])
+lines.shift
+lines.each do |l|
+ smi,x,y = l.split(",")
+ smi.gsub!('"','')
+ classifications[smi] ? puts(classifications[smi]) : puts("NA")
+end
diff --git a/scripts/lazar-cv-predictions.rb b/scripts/lazar-cv-predictions.rb
index 9236bec..9f94776 100755
--- a/scripts/lazar-cv-predictions.rb
+++ b/scripts/lazar-cv-predictions.rb
@@ -1,31 +1,8 @@
#!/usr/bin/env ruby
-predictions = {}
-minsim = ARGV[1].to_f
-minsim ||= 0
-Dir[File.join(ARGV[0],"crossvalidation","*","test","predictions")].each do |pred|
- File.readlines(pred).each_with_index do |l,i|
- smi,m,pred,pa,pi,maxsim,n = l.split(",")
- predictions[smi] = [pred,maxsim.to_f]
- end
-end
-lines = File.readlines(File.join("mutagenicity","mutagenicity.csv"))
-lines.shift
-lines.each do |line|
- smi,exp = line.chomp.split(",")
- if predictions[smi]
- if predictions[smi].first == "1" and exp == "1" and predictions[smi].last >= minsim
- puts [smi,"TP"].join(",")
- elsif predictions[smi].first == "0" and exp == "0" and predictions[smi].last >= minsim
- puts [smi,"TN"].join(",")
- elsif predictions[smi].first == "1" and exp == "0" and predictions[smi].last >= minsim
- puts [smi,"FP"].join(",")
- elsif predictions[smi].first == "0" and exp == "1" and predictions[smi].last >= minsim
- puts [smi,"FN"].join(",")
- else
- puts [smi,"NA"].join(",")
- end
- else
- puts [smi,"NA"].join(",")
- end
+thresh = ARGV[1].to_f
+thresh ||= 0
+File.readlines(ARGV[0]).each do |pred|
+ smi,c,maxsim = pred.split(",")
+ puts [smi,c].join(",") if maxsim.to_f > thresh
end
diff --git a/scripts/lazar-pa-predictions.rb b/scripts/lazar-pa-predictions.rb
index 3fb61da..79c8198 100755
--- a/scripts/lazar-pa-predictions.rb
+++ b/scripts/lazar-pa-predictions.rb
@@ -1,9 +1,8 @@
#!/usr/bin/env ruby
-predictions = {}
minsim = ARGV[1].to_f
minsim ||= 0
-File.readlines(ARGV[0]).each do |l|
+File.readlines(ARGV[0])[1..-1].each do |l|
smi,m,pred,pa,pi,maxsim,n = l.split(",")
pred = "NA" if maxsim.to_f < minsim
puts [smi,pred].join(",")
diff --git a/scripts/pa-groups.R b/scripts/pa-groups.R
index 3c6ce2c..77b358b 100755
--- a/scripts/pa-groups.R
+++ b/scripts/pa-groups.R
@@ -1,33 +1,49 @@
#!/usr/bin/env Rscript
library(ggplot2)
args = commandArgs(trailingOnly=TRUE)
-groups = read.csv(args[1],header=T)
-data = read.csv(args[2])
-for (i in c(2:10)) {
- name = names(groups)[i]
- cols = c(2:15)
- group = data[groups[i] == 1,cols]
- freq = 100*colSums(group,na.rm=TRUE)/colSums(!is.na(group))
- algos = toupper(names(data)[cols])
- algos = gsub("HIGH",'HC',algos)
- algos = gsub(".CONFIDENCE",'',algos)
- algos = gsub("\\.",'-',algos)
- algos <- factor(algos,levels=rev(c(
- "MP2D-LAZAR-ALL",
+freq = read.csv(args[1],header=T,quote="'",sep=",")
+
+models = factor(freq$Model,levels=rev(c(
"MP2D-LAZAR-HC",
+ "MP2D-LAZAR-ALL",
"MP2D-RF",
- "MP2D-LR",
- "MP2D-LR2",
+ "MP2D-LR-sgd",
+ "MP2D-LR-scikit",
"MP2D-NN",
"MP2D-SVM",
- "CDK-LAZAR-ALL",
"CDK-LAZAR-HC",
+ "CDK-LAZAR-ALL",
"CDK-RF",
- "CDK-LR",
- "CDK-LR2",
+ "CDK-LR-sgd",
+ "CDK-LR-scikit",
"CDK-NN",
"CDK-SVM"
- )))
- plot = ggplot(data.frame(freq),aes(x=freq,y=algos)) + geom_bar(stat="identity") + xlab("% mutagenic") + ylab(element_blank()) + xlim(c(0,100))# + theme(axis.text.x = element_text(angle=90))
- ggsave(paste("figures/",name,".png",sep=""))
-}
+)))
+
+colors <- c(
+"MP2D-LAZAR-HC" = "#0072B2",
+"MP2D-LAZAR-ALL" = "#56B4E9",
+"MP2D-RF" = "#009E73",
+"MP2D-LR-sgd" = "#F0E442",
+"MP2D-LR-scikit" = "#D55E00",
+"MP2D-NN" = "#CC79A7",
+"MP2D-SVM" = "#E69F00",
+"CDK-LAZAR-HC" = "#0072B2",
+"CDK-LAZAR-ALL" = "#56B4E9",
+"CDK-RF" = "#009E73",
+"CDK-LR-sgd" = "#F0E442",
+"CDK-LR-scikit" = "#D55E00",
+"CDK-NN" = "#CC79A7",
+"CDK-SVM" = "#E69F00"
+)
+
+ggplot(freq,aes(Frequency,models,fill=models)) +
+ geom_bar(stat="identity",show.legend=F) +
+ xlab("% mutagenic") +
+ ylab(element_blank()) +
+ xlim(c(0,100)) +
+ scale_fill_manual(values = colors) +
+ facet_wrap(~PA.Group) +
+ theme_minimal() +
+
+ggsave(args[2])
diff --git a/scripts/pa-groups.rb b/scripts/pa-groups.rb
new file mode 100755
index 0000000..b183116
--- /dev/null
+++ b/scripts/pa-groups.rb
@@ -0,0 +1,41 @@
+#!/usr/bin/env ruby
+group_data = File.readlines(ARGV[0]).collect{|l| l.chomp.split(",")}
+predictions = File.readlines(ARGV[1]).collect{|l| l.chomp.split(",")}
+group_names = group_data.shift
+group_names.shift
+algo_names = predictions.shift
+algo_names.shift
+groups = {}
+group_data.each do |d|
+ smi = d.shift
+ groups[smi] ||= []
+ d.each_with_index do |v,i|
+ groups[smi] << group_names[i] if v == "1"
+ end
+end
+mut = {}
+n = {}
+predictions.each do |pred|
+ smi = pred.shift
+ pred.each_with_index do |p,i|
+ algo = algo_names[i]
+ group_names.each do |g|
+ mut[g] ||= {}
+ n[g] ||= {}
+ mut[g][algo] ||= 0
+ n[g][algo] ||= 0
+ if groups[smi].include? g
+ n[g][algo]+=1
+ mut[g][algo]+=1 if p == "1"
+ end
+ end
+ end
+end
+
+q = "'"
+puts ["'PA Group'","'Model'","'Frequency'"].join(",")
+mut.each do |g,val|
+ val.each do |a,n_mut|
+ puts [q+g+q,q+a.sub("high-confidence","HC").upcase.sub(/-LR$/,"-LR-sgd").sub("LR2","LR-scikit")+q,100.0*n_mut/n[g][a]].join(",")
+ end
+end
diff --git a/scripts/pa-predictions.rb b/scripts/pa-predictions.rb
index 9500c39..712017b 100755
--- a/scripts/pa-predictions.rb
+++ b/scripts/pa-predictions.rb
@@ -8,6 +8,8 @@ ARGV.each do |f|
algos << name
File.readlines(f).each do |l|
smi,pred = l.chomp.split(",")
+ pred ||= "NA"
+ pred = nil if pred == "NA"
predictions[smi] ||= {}
predictions[smi][name] = pred
end
diff --git a/scripts/roc.R b/scripts/roc.R
index 32e1674..cbd5ea6 100755
--- a/scripts/roc.R
+++ b/scripts/roc.R
@@ -1,45 +1,28 @@
#!/usr/bin/env Rscript
library(ggplot2)
-data <- read.csv("figures/roc.csv",header=T)
-labels = factor(row.names(data), levels = c("MP2D-LAZAR-HC", "MP2D-LAZAR-ALL", "MP2D-RF", "MP2D-LR", "MP2D-LR2", "MP2D-NN", "MP2D-SVM", "CDK-LAZAR-HC", "CDK-LAZAR-ALL", "CDK-RF", "CDK-LR", "CDK-LR2", "CDK-NN", "CDK-SVM"))
-shapes = c(
-"MP2D-LAZAR-HC" = 16,
-"MP2D-LAZAR-ALL" = 16,
-"MP2D-RF" = 16,
-"MP2D-LR" = 16,
-"MP2D-LR2" = 16,
-"MP2D-NN" = 16,
-"MP2D-SVM" = 16,
-"CDK-LAZAR-HC" = 17,
-"CDK-LAZAR-ALL" = 17,
-"CDK-RF" = 17,
-"CDK-LR" = 17,
-"CDK-LR2" = 17,
-"CDK-NN" = 17,
-"CDK-SVM" = 17)
+args = commandArgs(trailingOnly=TRUE)
-colors <- c(
-"MP2D-LAZAR-HC" = "#E69F00",
-"MP2D-LAZAR-ALL" = "#56B4E9",
-"MP2D-RF" = "#009E73",
-"MP2D-LR" = "#F0E442",
-"MP2D-LR2" = "#0072B2",
-"MP2D-NN" = "#D55E00",
-"MP2D-SVM" = "#CC79A7",
-"CDK-LAZAR-HC" = "#E69F00",
-"CDK-LAZAR-ALL" = "#56B4E9",
-"CDK-RF" = "#009E73",
-"CDK-LR" = "#F0E442",
-"CDK-LR2" = "#0072B2",
-"CDK-NN" = "#D55E00",
-"CDK-SVM" = "#CC79A7")
+data = read.csv(args[1],header=T)
+model_labels = factor(data$model, levels = c("LAZAR-HC", "LAZAR-ALL", "RF", "LR-sgd", "LR-scikit", "NN", "SVM"))
+descriptor_labels = factor(data$descriptor, levels = c("MP2D", "CDK"))
-p <- ggplot(data)
-p <- p + geom_point(aes(x=fpr, y=tpr, color = labels, shape = labels))
-p <- p + geom_abline()
-p <- p + theme(legend.title=element_blank())
-p <- p + expand_limits(x=c(0,1),y=c(0,1))
-p <- p + scale_shape_manual(values = shapes)
-p <- p + scale_color_manual(values = colors)
-p <- p + labs(x = "False positive rate", y = "True positive rate")
-ggsave("figures/roc.png")
+colors = c(
+"LAZAR-HC" = "#0072B2",
+"LAZAR-ALL" = "#56B4E9",
+"RF" = "#009E73",
+"LR-sgd" = "#F0E442",
+"LR-scikit" = "#D55E00",
+"NN" = "#CC79A7",
+"SVM" = "#E69F00"
+)
+
+ggplot(data,aes(fpr, tpr, color = model_labels, shape = descriptor_labels)) +
+ geom_point(size = 2.5) +
+ geom_abline() +
+ expand_limits(x=c(0,1),y=c(0,1)) +
+ labs(x = "False positive rate", y = "True positive rate") +
+ scale_color_manual(values = colors) +
+ theme_minimal() +
+ theme(legend.title=element_blank())#,legend.position = "bottom",legend.direction="vertical")#,legend.key.height = 7,legend.key.width=2) +
+
+ggsave(args[2])
diff --git a/scripts/roc.rb b/scripts/roc.rb
index 8e2dc51..8c8c93c 100755
--- a/scripts/roc.rb
+++ b/scripts/roc.rb
@@ -2,7 +2,8 @@
require "yaml"
data = YAML.load(File.read ARGV[0])[:cv]
-puts "tpr,fpr"
+puts "descriptor,model,tpr,fpr"
data.each do |algo,values|
- puts [algo.upcase.gsub('_','-').sub("HIGH-CONFIDENCE","HC"),values[:tpr],values[:fpr]].join(",")
+ desc,model = algo.split("_",2)
+ puts [desc.upcase,model.upcase.gsub('_','-').sub("HIGH-CONFIDENCE","HC").sub(/^LR$/,"LR-sgd").sub("LR2","LR-scikit"),values[:tpr],values[:fpr]].join(",")
end
diff --git a/scripts/summary2table.rb b/scripts/summary2table.rb
deleted file mode 100755
index d0da0af..0000000
--- a/scripts/summary2table.rb
+++ /dev/null
@@ -1,34 +0,0 @@
-#!/usr/bin/env ruby
-require 'yaml'
-
-rows = {:acc => "Accuracy", :tpr => "True positive rate/Sensitivity", :tnr => "True negative rate/Specificity", :ppv => "Positive predictive value/Precision", :npv => "Negative predictive value", :n => "Nr. predictions"}
-data = YAML.load_file("crossvalidations/summary.yaml")[:cv]
-
-case ARGV[0]
-when "tensorflow"
- header = ["MP2D-RF","MP2D-LR-sgd","MP2D-LR-scikit","MP2D-NN","MP2D-SVM","CDK-RF","CDK-LR-sgd","CDK-LR-scikit","CDK-NN","CDK-SVM"]
- desc = ["mp2d","cdk"]
- algos = ["rf","lr","lr2","nn","svm"]
- keys = []
- desc.each do |d|
- algos.each do |a|
- keys << "tensorflow-"+a+"-"+d
- end
- end
-when "lazar"
- header = ["MP2D", "CDK"]
- mp2dkeys = ["lazar-mp2d-all","lazar-mp2d-high-confidence"]
- cdkkeys = ["lazar-cdk-all","lazar-cdk-high-confidence"]
- puts ","+header.join(",")
- rows.each do |short,long|
- print long+","
- print mp2dkeys.collect{|k| data[k][short]}.join("/")+","
- puts cdkkeys.collect{|k| data[k][short]}.join("/")
- end
- exit
-end
-puts ","+header.join(",")
-rows.each do |short,long|
- print long+","
- puts keys.collect{|k| data[k][short]}.join(",")
-end
diff --git a/scripts/tsne-cdk-coordinates.R b/scripts/tsne-cdk-coordinates.R
index f9baff9..f9baff9 100644..100755
--- a/scripts/tsne-cdk-coordinates.R
+++ b/scripts/tsne-cdk-coordinates.R
diff --git a/scripts/tsne-classifications.R b/scripts/tsne-classifications.R
new file mode 100755
index 0000000..6f37d11
--- /dev/null
+++ b/scripts/tsne-classifications.R
@@ -0,0 +1,19 @@
+#!/usr/bin/env Rscript
+library(Rtsne)
+library(ggplot2)
+args = commandArgs(trailingOnly=TRUE)
+tsne = read.csv(args[1],header=T)
+tsne[,1] = NULL
+labels = read.csv(args[2],header=F, na.strings = "-")[,1]
+labels = factor(labels,levels=c("TP","TN","FN","FP","NA","PA-mutagenic","PA-nonmutagenic","PA-NA"))
+tsne_plot = data.frame(x = tsne$x, y = tsne$y)
+blue = "#00BFC4"
+red = "#F8766D"
+green = "#7CAE00"
+grey = "#AAAAAA"
+colors = c("PA-mutagenic" = "red", "PA-nonmutagenic" = "green", "PA-NA" = grey, "TP" = red, "TN" = green, "FP" = "red", "FN" = "green", "NA" = grey)
+shapes = c("PA-mutagenic" = 22, "PA-nonmutagenic" = 22, "PA-NA" = 22,"TP" = 16, "TN" = 16, "FP" = 23, "FN" = 23, "NA" = 16)
+fills = c("PA-mutagenic" = blue, "PA-nonmutagenic" = blue, "PA-NA" = blue, "TP" = red, "TN" = green, "FP" = "green", "FN" = "red", "NA" = grey)
+plot = ggplot(tsne_plot)
+plot + geom_point(aes(x=x, y=y, color = labels, shape = labels, fill = labels)) + xlab(element_blank()) + ylab(element_blank()) + theme(axis.ticks = element_blank(), axis.text = element_blank(), legend.title=element_blank(), legend.position="bottom") + scale_shape_manual(values = shapes) + scale_color_manual(values = colors) + scale_fill_manual(values = fills)
+ggsave(args[3])
diff --git a/scripts/tsne-mp2d-coordinates.R b/scripts/tsne-mp2d-coordinates.R
index ef97595..ef97595 100644..100755
--- a/scripts/tsne-mp2d-coordinates.R
+++ b/scripts/tsne-mp2d-coordinates.R