path: root/regression/fathead_minnow_log10.csv

SMILES,-log10(LC50[mol/L])
ClCCOC(=O)NC1CCCCC1,3.770
Nc1ccc(cc1)N(=O)=O,3.115
Oc1ccc(cc1)N(=O)=O,3.531
O=Cc1ccc(cc1)N(C)C,3.510
O=N(=O)c1ccc(cc1)N(=O)=O,5.390
OCCN(CC)CC,1.819
CCc1ccccc1,3.947
C=Cc1ccccc1,3.513
ClCc1ccccc1,4.402
NCc1ccccc1,3.021
N#Cc1ccccc1,3.210
OCc1ccccc1,2.371
O=Cc1ccccc1,3.919
CNc1ccccc1,3.030
ON=C1CCCCC1,2.736
N#Cc1ccccn1,2.157
CCc1ccccn1,2.413
OCC1COC(O1)(C)C,0.898
C1N2CN3CN1CN(C2)C3,0.450
CCOc1ccc(cc1)C=O,3.733
OC(=O)CN(CC(=O)O)CC(=O)O,2.976
O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)Cl,6.535
Brc1ccc(cc1)Oc1ccccc1,5.643
c1ccc(cc1)Oc1ccccc1,4.629
O=N(=O)c1cc(N(=O)=O)c(c2c1cccc2)O,4.838
S=C(Nc1ccccc1)Nc1ccccc1,4.081
CCNc1cccc(c1)C,3.436
CCCN(CCC)CCC,3.450
OCCN(CCO)CCO,1.102
O=N(=O)c1ccc(c(c1C)N(=O)=O)N,4.257
N#CC(C(=O)N)(Br)Br,5.386
CC(CCc1ccccc1)(O)C,3.393
OCCN1CCNCC1,1.308
CN(Cc1ccccc1)C,3.554
CC(=O)Nc1ccc(cc1)O,2.269
CCCCc1ccc(cc1)N,4.165
CCCCCCCCCc1ccc(cc1)O,5.896
CCCCc1ccccc1,4.829
O=CC=Cc1ccccc1,4.590
CCCCCCCC1CCC(=O)O1,2.092
CCCCC(CO)CC,3.665
O=Cc1ccc(cc1)C,3.560
O=Cc1ccc(cc1)Cl,4.805
CCc1ccc(nc1)C,3.174
CC(=CC1C(C1(C)C)C(=O)OCc1coc(c1)Cc1ccccc1)C,7.899
CCN(CCCC(=O)C)CC,2.670
CCOC(=O)CC(=O)OCC,4.016
Cc1ccc(c(c1)C)O,3.857
CCCCOC(=O)C=CC(=O)OCCCC,5.522
CCCCOC(=O)CCCCC(=O)OCCCC,4.851
O=CCC(CCC=C(C)C)C,3.840
OCC=C(CCC=C(C)C)C,4.586
Brc1ccc(cc1)Br,5.284
Nc1ccc(cc1)Br,3.559
Cc1ccc(cc1)C,4.091
Cc1ccc(cc1)Cl,4.330
Cc1ccc(cc1)O,3.755
Clc1ccc(cc1)Cl,4.552
Nc1ccc(cc1)Cl,3.620
Oc1ccc(cc1)Cl,4.459
Cc1ccc(cc1)N,2.827
O=C1C=CC(=O)C=C1,6.380
C=CC(=O)OCC(C)C,4.786
ClCC1CO1,3.861
CCCBr,3.262
C=CC=O,6.297
ClCC=C,3.546
ClCCCl,2.920
OCCCl,3.203
CCCN,2.283
CCC#N,1.559
C=CC#N,3.470
ClCC#N,4.748
NCCN,2.576
OCC=C,5.259
OCC#C,4.564
ClCC=O,4.370
OCCO,0.053
O=CC=O,2.381
CC=NO,2.891
CC(CC(O)(C)C)O,1.088
CC(CC(N)(C)C)(C)C,3.721
CC(SC(C)(C)C)(C)C,3.701
CCOP(=O)(OP(=O)(OCC)OCC)OCC,6.083
CCCCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCCCC)(C)C,4.628
O=CCC(CCCC(O)(C)C)C,3.700
CCCC(=O)C,1.842
OC(=O)CNCP(=O)(O)O,3.396
Nc1ccc(cn1)Br,2.990
CC(=O)OC=C,3.573
CC(CC(=O)C)C,2.271
CC(OC(C)C)C,2.085
Cc1cccc(c1)C,3.822
Cc1cccc(c1)O,3.290
Cc1cccc(c1)Cl,3.840
Nc1cccc(c1)Cl,3.979
Cc1cccc(c1)N,3.470
Oc1cccc(c1)O,3.314
COC(=O)CC(=O)OC,4.031
Clc1cc(Cl)cc(c1)Cl,4.740
Brc1ccccc1,4.194
Cc1ccccc1,3.447
Cc1ccncc1,2.364
Clc1ccccc1,3.645
OC1CCCCC1,2.070
O=C1CCCCC1,2.270
Oc1ccccc1,3.513
Cc1cccnc1,2.811
CCOP(=O)(Cc1ccccc1)OCC,2.832
CN1CCNCC1,1.639
Cc1ccccn1,2.016
CC1CNCCN1,1.651
CCCCOC(=O)CCC,4.097
CCCCC(=O)O,3.123
CCCOC(=O)C,3.231
BrCCCBr,5.052
CCCCBr,3.572
CCCCN,2.436
C=CCC#N,2.567
NCCCN,1.795
N#CCC#N,5.072
COCCN,2.156
COCOC,1.037
CCNCC,1.932
c1ccc[nH]1,2.505
C1CCCO1,1.524
c1ccco1,3.048
CC(SSC(C)(C)C)(C)C,5.115
CC(CCC(=O)C)C,2.856
OC(=O)C=CC(=O)O,4.366
CCOC(=O)CCCCCCCCC(=O)OCC,4.976
CCCCCC(=O)C,2.940
CCCCCC,4.538
ClCCCCCl,3.391
CCCCCN,2.692
CCCCC=O,3.825
OCC#CCO,3.206
OCCNCC,1.780
OCCOCC,0.533
C1CCCCC1,3.299
c1cccnc1,2.914
O1COCOC1,1.180
CC(=O)CCC=C(C)C,3.168
CCCCCCC(=O)C,3.446
CCOCCOC(=O)C,3.496
CCCCCCBr,4.680
CCCCCCN,3.252
CCCCCCO,2.980
O=CCCCC=O,3.936
CCCCCCS,5.470
OCCNCCO,1.842
OCCOCCO,0.150
CCCSCCC,3.736
CCCCCCCN,3.719
N#CCCCCC#N,1.749
CCCCCCCO,3.507
CCCCCCC=O,3.979
CCCCCCCCBr,5.363
CCCCCCCCN,4.396
CCCCCCCCO,3.984
OCCOCCOCC,1.020
ClCCOCOCCCl,2.973
CCCCCCCCC(=O)O,3.182
CCCCCCCCCC(=O)C,5.055
CCCCCCCCCN,4.822
OCCOCCOCCO,0.330
CCCCCCCCCCO,4.819
CCCCCCCCCCCO,5.219
CCCCCCCCCCCCO,5.268
CCCCCCCCC=CCCCCCCCC(=O)O,3.139
CC(=O)c1ccncc1,2.858
COC(=O)c1ccc(cc1)Cl,4.191
CCCCOc1ccccc1,4.416
COC(=O)c1ccc(cc1)C#N,3.537
CNC(=O)Oc1ccccc1OC(C)C,4.380
C#CC(O)(C)C,1.408
OCC(Cl)(Cl)Cl,2.936
O=S1OCC2C(CO1)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,8.471
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl,5.861
O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1,5.574
CCOP(=S)(Oc1ccc(cc1)S(=O)C)OCC,3.852
CNC(=O)ON=CC(SC)(C)C,5.244
CCCCC(COC(=O)c1ccccc1C(=O)OCC(CCCC)CC)CC,2.548
O=C(c1ccccc1O)Oc1ccccc1,5.276
CCOC(=O)c1ccccc1O,3.924
Clc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,6.379
Brc1cc(Br)c(c(c1)Br)O,4.705
O=N(=O)c1cc(N(=O)=O)c(c(c1)N(=O)=O)C,4.960
Nc1ccc(c(c1)N(=O)=O)C,3.766
Nc1ccc(c(c1)N(=O)=O)O,3.641
O=C(c1ccccc1)c1ccccc1,4.108
N#Cc1c(Cl)cccc1Cl,4.420
Oc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,5.290
OCCN(c1ccccc1)CCO,2.392
CCN(c1ccc(cc1)C=O)CC,3.870
CCCCCCCCS(=O)C(Cc1ccc2c(c1)OCO2)C,5.642
Oc1ccccc1O,4.287
Clc1ccc(c(c1)Cl)Cl,4.790
Clc1ccc(c(c1)Cl)O,4.296
COc1ccc(c(c1)C(=O)CBr)OC,6.607
O=N(=O)c1ccc(c(c1)N(=O)=O)C,3.759
CCOc1cc(C=O)ccc1O,3.278
COc1cc(C=O)ccc1O,3.118
Nc1ccc(cc1)S(=O)(=O)O,3.237
CN(c1ccccc1)C,3.267
Clc1cccc(c1)N(=O)=O,3.933
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,4.486
O=N(=O)N1CN(CN(C1)N(=O)=O)N(=O)=O,4.305
O=N(=O)c1ccc(c(c1)Cl)N,3.927
O=Cc1ccc(cc1)C(C)C,4.350
COP(=S)(Oc1ccc(c(c1)C)N(=O)=O)OC,4.809
CCNc1nc(NCC)nc(n1)Cl,4.499
c1ccc(cc1)Nc1ccccc1,4.650
OCCOc1ccccc1,2.604
CCCCC(C=O)CC,3.629
CCc1ccc(cc1)O,4.070
COc1ccc(cc1)C=O,2.930
CC(C=O)CCC,3.727
CCOC(=O)CCC(=O)OCC,3.095
Oc1ccc(cc1)O,6.400
CCC=O,2.650
CC(=O)CC(=O)C,2.851
CCCCCC(=O)OCC,4.208
CCCC=O,3.654
CCCCOC(=O)C,3.810
O1CCOCC1,0.931
OC(=O)CCCCC(=O)O,3.178
CCCCCCCCCCCCN,6.255
OCC(N(=O)=O)(CO)CO,2.732
CCCCOP(=O)(OCCCC)OCCCC,4.448
O=C1CC(=O)CC(C1)(C)C,1.086
CC(CCl)O,2.586
ON=C(C)C,2.117
ClC(=C(Cl)Cl)Cl,3.955
ClNS(=O)(=O)c1ccc(cc1)C,4.278
C#CC(c1ccccc1)(O)C,3.112
ClC1CC2C(C1Cl)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,6.897
CN(C(=S)S)C,6.424
Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C,5.780
OC1=NS(=O)(=O)c2c1cccc2,1.050
CCCCCCCCOC(=O)C(O)C,3.926
CCOP(=S)(SCSC(C)(C)C)OCC,6.284
COC(=O)c1ccccc1C(=O)OC,3.451
CCN(C(=O)C(=C(OP(=O)(OC)OC)C)Cl)CC,3.477
c1ccc2c(c1)oc1c2cccc1,4.967
BrC(c1ccccc1C(Br)Br)Br,5.985
ClC(SN1C(=O)C2C(C1=O)CC=CC2)(Cl)Cl,6.351
ClC(SN1C(=O)c2c(C1=O)cccc2)(Cl)Cl,6.207
Nc1ccc(c(c1)O)C(=O)Oc1ccccc1,4.680
CCOc1ccc(cc1)N=Nc1ccc(c(c1)S(=O)(=O)O)Sc1ccc(cc1S(=O)(=O)O)N=Nc1ccc(cc1)OCC,4.475
CCN(C(=O)c1cccc(c1)C)CC,3.240
OCc1cccc(n1)C=Cc1ccc(o1)N(=O)=O,5.478
Oc1ccc2c(c1)cccc2,4.620
CC(=O)c1ccc(c(c1Cl)Cl)Cl,5.048
CN(C(=S)SSC(=S)N(C)C)C,7.045
CCC(=O)O,1.307
CC1=CCC(CC1)C(=C)C,2.149
COc1ccc(c(c1OC)OC)C(=O)C,3.025
CCC(N)C,2.425
CCCCCCC1C(=O)OC(C)C(C(=O)OC(C1OC(=O)CC(C)C)C)NC(=O)c1cccc(c1O)NC=O,9.612
NCCN1CCNCC1,1.771
CCOC(=O)C=C,4.603
CCOC(=O)C(C(=O)OCC)Cl,5.311
CCCCOC(=O)CCC(=O)OCCCC,4.713
O=CC=C(CCC=C(C)C)C,4.320
CCOC(=O)CCCCC(=O)OCC,4.051
NCCO,1.470
CCOC(=O)C,2.583
CC1CNCC(O1)C,2.474
CCc1cccc(c1)CC,4.510
ClCCCCl,3.007
CCCCCC(=O)O,2.840
CCCCCCOC(=O)C,4.557
CCCCOCCCC,3.604
Clc1ccc(c(c1)C(=O)Nc1ccc(cc1Cl)N(=O)=O)O,6.564
CCCCCCCCCO,4.410
CCCCCCNCCCCCC,5.380
O=C1C2(Cl)C3(C4(C1(Cl)C1(C2(C3(Cl)C(C41Cl)(Cl)Cl)Cl)Cl)Cl)Cl,6.113
CCNCc1ccccc1,3.374
Clc1cccc[n+]1C,3.109
CC(OP(=O)(OC(C)C)C)C,2.451
OC(=O)C1C2CCC(C1C(=O)O)O2,5.395
Brc1ccc(cc1)C(=O)c1cccnc1,4.109
O=C(c1ccncc1)c1ccccc1,3.250
COc1cccc(c1O)C=O,4.767
CCOP(=S)(ON=C(c1ccccc1)C#N)OCC,5.012
CC(C(C#C)(O)C)C,2.739
C=Cn1c2ccccc2c2c1cccc2,7.809
Nc1cccc(c1)OCc1ccccc1,4.338
Sc1nc2c(s1)cccc2,4.182
CCC(C(CO)C)O,1.134
CCCCCc1ccc(cc1)O,5.178
COc1cccc(c1)O,3.219
COc1ccc(cc1)O,3.110
COc1ccc(cc1)OC,3.070
CC1(C)CCC(O1)(C)C,2.883
CCCCCCCCCCCCOS(=O)(=O)O,4.451
O=N(=O)c1ncccc1O,2.924
CNC(=O)Oc1cccc2c1OC(C2)(C)C,5.339
NCCC(C)(C)C,2.226
CCCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CCC,6.500
COCN(c1c(CC)cccc1CC)C(=O)CCl,4.732
ClN1C(=O)N(C(C1=O)(C)C)Br,1.234
CCCCCCCCc1ccc(cc1)N,6.233
COC(C)(C)C,2.107
CCCCc1ccc(cc1)O,4.470
C=CCCCCCCC=C,5.678
ClCCP(=O)(O)O,3.046
CNC(=O)ON=C(SC)C,4.920
Oc1cccc(n1)Cl,2.782
Oc1ccc(cc1)N=Nc1ccccc1,5.229
N#Cc1cc(I)c(c(c1)I)O,4.737
N#Cc1cc(Br)c(c(c1)Br)O,4.342
Clc1cc(ccc1NC(=O)c1c(C)c(Cl)cc(c1O)C(C)(C)C)N(=O)=O,7.691
OC(=O)C1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C,4.727
C=CCc1ccccc1O,3.979
C=Cc1ccc(cc1)C(C)(C)C,5.510
CCOP(=S)(OC(=CCl)c1cc(Cl)ccc1Cl)OCC,6.143
Nc1nnc(c(n1)C)C,2.115
O=Cc1cc(Br)ccc1O,5.189
COC(=O)C1C(C(=O)OC)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl,5.383
CCN(c1ccc(c(c1)O)C=O)CC,4.557
CCCCNC(=O)n1c(NC(=O)OC)nc2c1cccc2,5.184
Oc1cc(c2c(c1N=Nc1ccc3c(c1O)cccc3)ccc(c2)N(=O)=O)S(=O)(=O)O,4.886
C=C1CCC2CC1C2(C)C,5.434
COc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl,5.632
O=N(=O)c1ccc(c(c1C)N(=O)=O)N(=O)=O,6.317
Cc1cccc(n1)Cl,2.740
CCCCN(c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O)CC,6.525
ClCC(=C)CCl,5.820
N#Cc1cc(Cl)c(c(c1)Cl)O,3.889
CCNc1nc(NC(C)C)nc(n1)Cl,4.095
CCCCOCCOC(=O)COc1ccc(cc1Cl)Cl,5.052
Clc1cccc(n1)C(Cl)(Cl)Cl,4.368
CC(C(=O)OCCOCCCC)Oc1cc(Cl)c(cc1Cl)Cl,5.568
Nc1cc(N(=O)=O)c(c(c1)N(=O)=O)C,4.458
CC(CCC(C#C)(O)C)C,3.458
CCCCOC(=O)c1ccc(cc1)C(=O)OCCCC,5.667
Oc1ccc(cc1)Oc1ccc(cc1)O,4.544
OCCN(CC=C(CCC=C(C)C)C)CC=C(CCC=C(C)C)C,6.347
NC(=O)c1c(Cl)cccc1Cl,2.608
CCCCCCCCCCN,5.180
CC(C#C)O,3.779
CNC(=O)Oc1ccc(c(c1)C)N(C)C,5.029
Brc1[nH]c(c(n1)Br)Br,4.697
Clc1ccccc1c1ccccc1,4.674
Clc1cccc(c1)c1ccccc1,4.384
c1ccc2c(c1)c1cccc3c1c2ccc3,7.346
Cc1oc(c(n1)C)C,2.395
OCP(=O)(CO)O,3.638
CCOP(=S)(c1ccccc1)Oc1ccc(cc1)N(=O)=O,6.540
CC(CC#C)O,3.380
Clc1ccc(c(c1)O)O,4.961
COC(=O)c1ccc(cc1O)O,3.603
O=C(N(C)C)NC1CC2CC1C1C2CCC1,3.842
CCNc1nc(nc(n1)Cl)NC(C#N)(C)C,4.116
Clc1nc(Cl)c(c(c1Cl)Cl)Cl,5.730
CCCSCCSCCC,4.380
CN(CC(C(=O)C)C)C,4.182
CCSC(=O)N1CCCCCC1,3.841
Cc1ccc(cc1)S(=O)(=O)n1cncc1,3.726
Clc1ccc(c(c1)Cl)C(=O)C,4.208
CCCCCCCCC#N,4.305
O=C(C1C(C1(C)C)C=C1CCCC1)OCc1coc(c1)Cc1ccccc1,8.571
Cc1cc2c(cc1C)cccc2C,4.425
Brc1cccc(c1)C(=O)N,3.328
CCOC(=O)CC(C(=O)OCC)S,3.770
CNC(=O)ON=C(C(=O)N(C)C)SC,4.512
CCCCOCN(c1c(CC)cccc1CC)C(=O)CCl,5.653
Nc1ccc(c(c1)C(F)(F)F)F,3.775
OC1CCCCC1c1ccccc1,3.599
CCOCCOC(=O)C(=C)C,3.757
ClC12C(Cl)(Cl)C3(C4(C1(Cl)C1(C2(Cl)C3(C4(C1(Cl)Cl)Cl)Cl)Cl)Cl)Cl,3.623
Cc1ccc(c(c1O)C)C,4.220
CCCCCCCCCCCC#N,5.630
COc1ccccc1C(=O)N,3.100
Clc1ccc(c(c1)Cl)C(=O)N,3.298
CC(c1cccc(c1N)C(C)C)C,4.064
CC(=C)C(=O)OCC1CCCO1,3.691
COc1cc(Cl)c(cc1O)Cl,4.635
OCCNc1ccc(c2c1C(=O)c1ccccc1C2=O)NC,5.472
O=C(C(=C)C)OCc1ccccc1,4.577
CCCCCCOC(=O)C=C,5.147
c1ccc2c(c1)cnnc2,3.112
COC(=O)C1(O)c2cc(Cl)ccc2c2c1cccc2,5.278
c1ccc2c(c1)nc1c(c2)cccc1,4.891
CNC(=O)Oc1ccc(cc1)C(C)(C)C,4.320
O=N(=O)N1CN(CN(CN(C1)N(=O)=O)N(=O)=O)N(=O)=O,4.295
c1ccc2c(c1)occ2,3.926
ClC1C2C(C3C1(Cl)O3)C1(C(C2(Cl)C(=C1Cl)Cl)(Cl)Cl)Cl,8.207
c1ccc2c(cc1)ccc2,4.154
N1CCN(CC1)Cc1ccccc1,3.570
C1CN2CCN1CC2,1.812
C1C2CC3CC1CC(C2)C3,5.680
OCCCc1cccnc1,2.961
Clc1cc(Cl)c(c(c1)N(=O)=O)N(=O)=O,6.720
CCCCCCCCCCCCCN,6.484
Clc1ccc(cc1)C(=O)c1ccccc1N,5.039
COC(=O)c1cc(Cl)ccc1Cl,4.169
CCN(c1c(cc(c(c1N(=O)=O)N)C(F)(F)F)N(=O)=O)CC,5.393
CCOP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OCC,6.314
CCN(c1nc(cc(n1)C)OP(=S)(OC)OC)CC,5.087
FC(C(C(O)(C)C)(F)F)F,2.440
COc1cc(C=O)cc(c1O)Br,3.588
COP(=S)(Oc1ccc(cc1)N(=O)=O)OC,4.508
CCSCSP(=S)(OCC)OCC,6.018
CCSCCSP(=S)(OCC)OCC,4.854
COP(=S)(Oc1cc(Cl)c(cc1Cl)Cl)OC,6.023
COP(=O)(OC(C(Br)(Cl)Cl)Br)OC,5.062
NCCCNCCCCNCCCN,3.463
C=CC(=O)OC1CCCCC1,5.018
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C=C2)(Cl)Cl)Cl,7.382
CCCC(C1(CC=C)C(=O)NC(=NC1=O)O)C,4.043
CNC(=O)Oc1cc(C)c(c(c1)C)N(C)C,4.117
OCCNc1ccc(c2c1C(=O)c1c(C2=O)c(O)ccc1O)NCCO,3.838
CCOC(=O)N(C(=O)OCC)C(=O)OCC,4.244
BrC(C#N)Br,5.558
CC(C(=O)OCCCC(CCC)C)Oc1cc(Cl)c(cc1Cl)Cl,4.239
CCP(=S)(OCC)Oc1cc(Cl)c(cc1Cl)Cl,6.171
O=N(=O)c1ccc(c(c1)O)N(=O)=O,4.739
O=C(N(C)C)Nc1ccc(c(c1)Cl)Cl,4.215
Fc1ccc(cc1)Oc1ccc(cc1)F,5.262
CCCSCSP(=S)(OCC)OCC,5.933
CCOP(=S)(Oc1cc(C)nc(n1)C(C)C)OCC,4.811
OS(=O)(=O)c1cccc2c1c(ccc2N=Nc1ccc(c2c1cccc2)N=Nc1cccc(c1)S(=O)(=O)O)Nc1ccccc1,5.190
CCNc1nc(OC)nc(n1)NC(C)(C)C,3.656
Clc1ccc(c(c1)O)Oc1ccc(cc1Cl)Cl,6.047
CCCN(c1c(cc(cc1N(=O)=O)C(C)C)N(=O)=O)CCC,5.999
COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC,4.136
OC(=O)COC(C(=O)O)CC(=O)O,2.069
COCCCNCc1cc(OC)c(c(c1)OC)OC,3.297
Oc1cc(Cl)c(cc1O)Cl,5.303
BrCC1CCCCO1,2.941
Clc1cc(Cl)c(c(c1Cl)N)Cl,5.930
Fc1ccc(cc1)N(=O)=O,3.696
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(cc1)Cl,5.860
O=N(=O)c1cc(N)c(c(c1)N(=O)=O)C,4.119
c1cc(nc(c1)c1ccccc1)c1ccccc1,6.038
Clc1ccc(c(c1)NC(=O)Nc1ccc(c(c1)Cl)Cl)Oc1ccc(cc1S(=O)(=O)O)Cl,4.951
CCCCCCCCCCSCCN,6.213
N#Cc1cccc(c1)C(F)(F)F,3.555
Clc1ccc(c(c1)Cl)OS(=O)(=O)C,4.739
CCOP(=S)(OP(=S)(OCC)OCC)OCC,6.258
Clc1cc(Cl)c(cc1N(=O)=O)N(=O)=O,6.784
Nc1ccc(cc1)F,3.751
CCCCCCCCCCc1ccc(cc1)N,6.569
Clc1ccc(c(c1)c1ccccc1Cl)Cl,6.882
Sc1cccc[n+]1[O-],8.132
CCOC(=O)C(F)(F)F,1.153
OC(=O)c1c(F)cccc1F,3.360
O=Cc1c(F)cccc1Cl,4.227
C#CC(c1ccccc1)(c1ccccc1)O,4.269
Fc1ccc(c(c1)C(F)(F)F)N,3.782
CCC(C(C=O)C)C,3.854
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C1C(C1(C)C)(C)C,8.169
O=Cc1cccc(c1)Oc1ccccc1,5.630
CCCCCCOc1ccc(cc1)N,4.777
ClC=CC[N+]12CN3CN(C2)CN(C1)C3,3.903
O=N(=O)c1cc(cc(c1O)N(=O)=O)C(C)(C)C,5.650
CCCCCCCC#CCO,5.159
CCCSP(=O)(Oc1ccc(cc1Cl)Br)OCC,6.645
CCNS(=O)(=O)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,6.446
CC=CC=O,4.865
COc1ccc(c(c1)OC)NC=CC1=[N+](C)c2c(C1(C)C)cccc2,5.066
COC(=O)c1ccc(cc1N(=O)=O)Cl,3.895
Oc1ccc(cn1)Cl,2.056
O=Cc1cc(O)ccc1N(=O)=O,3.601
CC(SSC(C)C)C,4.257
Cc1ccc(c(c1)S(=O)(=O)O)Nc1ccc(c2c1C(=O)c1ccccc1C2=O)Nc1ccc(cc1S(=O)(=O)O)C,5.002
OCc1cocc1,2.286
O=Cc1ccccc1F,4.960
COc1cc(C=O)c(cc1OC)OC,3.598
N#Cc1ccccc1C(F)(F)F,3.608
O=Cc1cccc(c1)C(F)(F)F,5.277
CNc1ccc(cc1)F,3.513
OC1CC2C(C1(C)CC2)(C)C,3.387
O=C1CC2C(C1(C)CC2)(C)C,3.141
CC(OC(=O)C(=C)C)C,3.528
CC12CCC(CC1)C(O2)(C)C,3.180
CC(=C1CCC2C(=C1)CCC1C2(C)CCCC1(C)C(=O)O)C,5.307
C=C1C2CCC3C1(C)CCCC(C23)(C)C,4.302
CCCC(C=C)O,3.518
OC(=O)CC(CC(=O)O)(C)C,1.055
Clc1c(O)cc(c(c1Cl)Cl)Cl,5.752
n1ccc(cc1)CCc1ccncc1,3.086
O=N(=O)c1c(C)cccc1O,3.521
C1Cc2c(C1)cccc2,3.926
c1ccc2c(c1)OCC2,3.168
OC1CC2CC1CC2,2.692
C1CC2CC1C=C2,3.974
OC(=O)c1cccc(n1)C(=O)O,2.715
CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,2.681
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)(Cl)Cl,7.429
Clc1ccc(c(c1Cl)C(=O)O)Cl,4.424
O=Cc1cccnc1,3.815
CCCCC(=O)CCCC,3.662
CC(=O)Br,3.481
O=N(=O)c1ccc(c(c1)N(=O)=O)O,4.224
CCOC(=O)N,1.231
COP(=O)(OC)OC,1.301
COCC(N(c1c(C)cccc1CC)C(=O)CCl)C,4.539
CC(=C)C(=C)C,4.075
CC(C1=CC2=CCC3C(C2CC1)(C)CCCC3(C)C(=O)O)C,5.104
COP(=O)(C(C(Cl)(Cl)Cl)O)OC,4.513
CCN1C(=O)CC(=O)N(C1=S)CC,1.647
ClC(=CC1C(C1(C)C)C(=O)OCc1cccc(c1)Oc1ccccc1)Cl,7.640
O=N(=O)c1cc(N(=O)=O)c(cc1C)N,4.912
Cc1cc(C)c(c(c1)C)O,4.020
O=N(=O)c1ccccc1N(=O)=O,5.449
N#Cc1ccccc1C,3.420
O=Cc1ccccc1C,3.360
COC(=O)c1ccc(c(c1)N(=O)=O)C(=O)OC,4.565
OC(=O)c1ccccc1,2.474
Clc1ccc2c(c1)nc(s2)S,4.798
O=N(=O)c1cc(C)c(c(c1)N(=O)=O)O,5.007
COC(=O)c1ccc(c(c1)N)C(=O)OC,4.369
CCCCCc1ccccc1,4.938
CCSCCSCC,3.397
OC(=O)c1ccccc1O,1.969
CC(=O)OC(C)(C)C,2.551
ClCCCN(C)C,3.075
Clc1cccc(c1)Cl,4.263
ClCC=CCl,5.050
CCCCSCCCC,4.610
CCSCCCCSCC,4.469
CC(=O)c1ccc(c(c1)N(=O)=O)Cl,4.559
CCN(N=O)CC,2.120
NC(=O)c1ccccc1,2.263
CSc1ccc(cc1C)OP(=S)(OC)OC,4.963
O=N(=O)OC(CON(=O)=O)CON(=O)=O,4.919
ClCCN(CCCl)C,3.289
COc1ccc(c(c1)O)C(=O)C,3.379
O=Cc1ccccc1N(=O)=O,4.021
CCCCCCCC[N+](CCCCCCCC)(C)C,4.770
Clc1ccc(c(c1)Cl)N,4.410
CCCCNC(=O)OCC#CI,6.148
O=Cc1ccc(cc1)N(=O)=O,4.175
CCCCCCCCOc1ccccc1NC(=O)C,5.767
COP(=S)(Oc1nc(Cl)c(cc1Cl)Cl)OC,5.677
CC[N+](Cc1ccccc1)(CC)CC,3.151
CCOP(=S)(Oc1ccc(cc1)N(=O)=O)OCC,5.318
Cc1cc(Cl)nc(n1)N,3.007
NC(=O)c1ccc(cc1)C(C)(C)C,3.742
O=N(=O)c1ccc(c(c1N)C)N(=O)=O,5.341
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,5.466
CC(=O)C(C)C,1.999
CSCCCCCCSC,4.247
COc1cccc(c1C)OC,3.874
CN(c1ccccn1)C,2.983
C[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c2ccccc2)C=C1)C,6.483
C=CCN=C=S,6.064
CN(N)C,3.884
CCCC(C1(CC)C(=O)NC(=NC1=O)O)C,3.660
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,3.423
OCC(O)C,0.242
O=N(=O)c1cccc(c1N)C,3.799
COC(=O)C1(C)CCCC2(C1CCc1c2ccc(c1Cl)C(C)C)C,5.412
COC(=O)C1(C)CCCC2(C1CCc1c2cc(c(c1Cl)C(C)C)Cl)C,5.758
Oc1c(cccc1N(=O)=O)N(=O)=O,3.666
Cc1cccc(c1O)C,3.751
Cc1ccc(c(c1)N)N(=O)=O,3.799
CCc1ccccc1N,3.210
O=C1C=C(C)C(=O)c2c1cccc2,6.195
ClC1C(Cl)C(Cl)C(C(C1Cl)Cl)Cl,6.551
Oc1c(Cl)cc(c(c1Cl)Cl)Cl,5.352
NCC(C)(C)C,2.264
Clc1cc(Cl)cc(c1)C1(CO1)CC(Cl)(Cl)Cl,5.385
Brc1ccccc1Br,4.762
C=CC1(C)CCC2C(=CCC3C2(C)CCCC3(C)C(=O)O)C1,5.541
O=C=Nc1ccc(c(c1)N=C=O)C,3.025
CCc1cccc(c1)N,3.651
C=CCNc1ccccc1,3.569
CCc1ccc(cc1)N,3.220
Oc1ccc(c(c1)C)Cl,4.286
c1ccc(cc1)CC1=NCCN1,2.745
O=CCC(C)C,4.423
CCCCC(=O)C,2.369
CC=CC=CC,3.614
N#Cc1cc(Cl)ccc1N,3.727
CCCCCCCCCCCC(=O)C,5.741
C=CC(CCC1C(=C)CCC2C1(C)CCCC2(C)C)(O)C,6.384
CC(C(C)C)N,2.487
OC(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O,3.689
CC(Cc1ccccc1)N,3.806
CCOCC,1.462
O=C1CC2OCC=C3C4C2C2N1c1ccccc1C12CCN(C1C4)C3,5.538
OC(C(C)C)C(C)C,2.853
O=N(=O)c1c(C)cccc1N(=O)=O,5.005
O=N(=O)c1cccc(c1C)N,3.483
Cc1c(cccc1N(=O)=O)N(=O)=O,3.991
O=CN(c1ccccc1)c1ccccc1,3.812
CCOC(=O)C(C(=O)OCC)Cc1ccccc1,4.664
Brc1c(O)c(Br)c(c(c1Br)Br)Br,6.720
Clc1cc(Cl)c(c(c1Cl)Cl)Cl,6.006
Ic1cc(I)c(c(c1)I)O,5.591
Cc1ccc(c(c1)N(=O)=O)N(=O)=O,5.083
Nc1ccc(c(c1)N(=O)=O)N(=O)=O,4.330
CCCCCCOc1ccc(cc1OC)C=O,4.947
COc1cc(OC)ccc1C=O,3.917
CC(=O)Nc1ccccc1O,3.661
Cc1ccc(c(c1)Cl)N,3.594
Cc1cc(C)c(cc1N(=O)=O)N(=O)=O,4.393
O=N(=O)c1cc(N(=O)=O)c(cc1C)O,4.856
CCOc1ccc(c(c1)N(=O)=O)N,3.846
CCCCCCCCCCC(=O)C,5.194
Clc1cc(cc(c1)Cl)N(=O)=O,4.630
Cc1cc(cc(c1)N(=O)=O)N(=O)=O,3.910
Nc1cc(cc(c1)N(=O)=O)N(=O)=O,3.932
O=N(=O)c1ccc(c(c1)C)N(=O)=O,5.146
N#Cc1cccc(c1)N(=O)=O,3.391
COC(=O)c1ccc(cc1)N(=O)=O,3.882
N#Cc1ccc(cc1)N(=O)=O,3.787
NC(=O)c1ccc(cc1)N(=O)=O,3.097
Nc1ccccc1,3.078
CC(=S)N,2.445
COP(=O)(OC=C(Cl)Cl)OC,4.796
O=NN(C)C,1.897
O=N(=O)c1ccc(cc1)Oc1ccccc1,4.906
O=CC=Cc1ccc(cc1)N(C)C,4.473
O=S(Cc1ccccc1)Cc1ccccc1,3.459
CC(=O)Nc1cccc(c1)O,2.126
OCCN1CCOCC1,1.680
ClCc1ccc(cc1)CCl,6.652
Cc1ccc(o1)C,3.131
Nc1cc(Cl)cc(c1)Cl,4.620
OC(=O)C[n+]1ccccc1,3.030
OCCCCl,2.072
ClCCCCCCl,3.746
Clc1c(N(=O)=O)c(Cl)cc(c1N(=O)=O)Cl,6.087
CCCCCCCBr,5.086
CCCSSCCC,4.759
N#CCCCCCCC#N,2.412
CNC(=O)Oc1cccc2c1cccc2,4.446
BrC(C(=O)O)Br,3.499
Oc1ccc2c(c1N=Nc1ccc(cc1)S(=O)(=O)O)cccc2,3.327
Clc1c(Cl)ccc(c1Cl)Cl,5.361
Nc1ccc(c(c1Cl)Cl)Cl,4.737
O=Cc1cc(Cl)ccc1O,5.308
Clc1cc(Cl)c(cc1N)Cl,5.001
O=Cc1cc(ccc1Cl)N(=O)=O,4.672
Cc1cc(N(=O)=O)c(c(c1)N(=O)=O)N,4.181
CCO,0.534
O=C1c2ccccc2C(=O)c2c1c(Nc1ccccc1)cc(c2N)S(=O)(=O)O,4.540
CCCc1ccc(cc1)O,4.093
Clc1cccc(c1)NC(=O)c1cccc(c1O)N(=O)=O,6.077
CN1CCCC1c1cccnc1,4.132
NC(=O)c1ccccc1O,3.133
O=Cc1c(F)c(F)c(c(c1F)F)F,5.251
Oc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-],4.399
N#Cc1c(C)cccc1Cl,4.002
CCCCCC=O,3.757
Oc1cccnc1Br,2.569
CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C,4.828
Oc1cccnc1Cl,2.319
CCOC(=O)C(Oc1ccc(cc1)Oc1nc2c(o1)cc(cc2)Cl)C,4.706
O=Cc1ccc(cc1)Oc1ccccc1,4.632
CC(O)C,0.778
CC(=O)C,0.855
CS(=O)C,0.361
ClC(C(Cl)(Cl)Cl)(Cl)Cl,5.242
OC(=O)CS,3.487
O=CN(C)C,0.841
ClC(C(=O)N)Cl,2.725
N#CC(c1ccc(c(c1)Oc1ccccc1)F)OC(=O)C1C(C1(C)C)C=C(Cl)Cl,8.604
CCN(C(=O)C)CC,1.885
C#CCN(CC#C)CC#C,2.647
CCCCCCC(N)C,4.396
O=N(=O)OCCOCCON(=O)=O,2.601
CCCCCCCCC(=O)C,4.510
CCCCCOCCCCC,4.703
Cc1cocn1,1.777
Cc1ncc[nH]1,2.458
CCOC(CN(CC(OCC)OCC)C)OCC,2.618
[O-]S(=O)(=O)c1ccc[n+](c1)Cc1ccccc1,2.015
O=Cc1cccc(c1)Oc1ccc(cc1)C(C)(C)C,5.842
Clc1cc(Cl)c(c(c1O)Cc1c(O)c(Cl)cc(c1Cl)Cl)Cl,7.287
CC(=CC1C(C1(C)C)C(=O)OCc1ccc(cc1C)C)C,6.665
CCC(=O)c1ccc(cc1)N,3.009
Cc1ccc(c(c1)O)N(=O)=O,3.513
O=C1C2CC3CC1CC(C2)C3,3.393
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)OC(F)F)C(C)C,9.354
O=N(=O)c1ccc(c(c1N)N(=O)=O)C,4.208
CCCCCCC1CCC(=O)O1,3.976
COc1cc(OC)cc(c1C=O)O,4.832
CCC(=O)Nc1ccc(c(c1)Cl)Cl,4.404
CCCO,1.121
CCCCO,1.589
CCCCCO,2.217
c1ccccc1,3.502
CC(Cl)(Cl)Cl,3.402
CCCC(C1(CC)C(=O)NC(=NC1=O)S)C,4.004
CCCCCCCCCC[N+](CCCCCCCCCC)(C)C,6.040
Cc1c(NC=O)cccc1Cl,3.561
COc1ccc(cc1)C(C(Cl)(Cl)Cl)c1ccc(cc1)OC,7.607
ClC(C(c1ccc(cc1)Cl)c1ccc(cc1)Cl)Cl,4.862
NCCCN1CCN(CC1)CCCN,1.810
C=CC(CCC=C(CCC=C(C)C)C)(O)C,5.192
ClCCN1CCCC1,3.046
CCCCCCCCCCCN,5.912
COP(=S)(SCN1C(=O)c2c(C1=O)cccc2)OC,4.593
Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C,6.634
CCCCC(C#C)O,4.804
CCN,2.300
CC#N,1.399
CC=O,3.076
O1CC1,2.720
ClC(=C)Cl,2.856
CC(=O)Cl,3.272
C[N+](C)(C)C,2.375
CC(O)(C)C,1.063
OCC(F)(F)F,2.925
CC(=O)C(C)(C)C,3.061
OC(=O)C(Cl)(Cl)C,2.693
COP(=S)(OC)S,3.828
ClC(C(Cl)(Cl)Cl)Cl,4.440
OC(=O)C(Cl)(Cl)Cl,1.911
ClC1C=CC2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl,7.017
ClC(C=C)CCl,4.184
CCCCN(C=O)CCCC,3.246
CC#CCO,3.841
CC(=CC=C(C)C)C,4.465
NC12CC3CC(C2)CC(C1)C3,3.782
N#Cc1c(C)cc(nc1O)C,2.975
ClC1=C(Cl)C(C(=C1Cl)Cl)(Cl)Cl,7.591
O=C1NC(=O)C(N1)(C)C,0.890
C1=CC2C(C1)C1C=CC2C1,3.407
CCC(CC)(O)C,2.182
CC(C#C)(CC)O,1.906
COP(=O)(OC(=CC(=O)OC(c1ccccc1)C)C)OC,4.422
Fc1c(N)c(F)c(c(c1F)F)F,3.693
CC1=CCC2CC1C2(C)C,5.689
C#CC1(O)CCCCC1,2.686
CCOP(=S)(SC1OCCOC1SP(=S)(OCC)OCC)OCC,4.691
CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,4.551
CC1=CC(=O)CC(C1)(C)C,2.737
C=CC(=C)C,2.953
OCC(C)C,1.691
ClCC(Cl)C,2.928
NCC(N)C,1.817
CCC(O)C,1.305
CCC(=O)C,1.352
CC(CN)O,1.474
CCOP(=S)(OCC)SCSc1ccc(cc1)Cl,6.160
ClCC(Cl)Cl,3.213
ClC=C(Cl)Cl,3.470
NC(=O)C=C,2.766
COC(=O)C,2.269
ClC(C(Cl)Cl)Cl,3.916
CC(=O)C=CC1=C(C)CCCC1(C)C,4.577
CC(c1cc(Cl)c(c(c1)Cl)O)(c1cc(Cl)c(c(c1)Cl)O)C,5.440
O=P(c1ccccc1)(c1ccccc1)c1ccccc1,3.715
O=Cc1cccc(c1)Oc1ccc(c(c1)Cl)Cl,5.950
CC(c1ccc(cc1)O)(c1ccc(cc1)O)C,4.691
CC(c1ccc(cc1)Cl)(c1ccc(cc1)Cl)O,5.264
CCC(c1ccc(cc1)O)(C)C,4.810
CC1(N)CCC(CC1)C(N)(C)C,3.416
O=CC(Cc1ccc(cc1)C(C)(C)C)C,4.611
COC(=O)C(=C)C,2.495
CN=C1C=CC(C=C1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C,6.923
ClC(c1c(Cl)cccc1Cl)Cl,5.372
COP(=O)(OC)O,3.845
OCCOC(=O)C=C,4.384
CCCCCC(C#C)O,5.485
CCCCCCCC(=O)C,3.971
ClC1CCCCC1Cl,3.920
c1cc2cccc3c2c(c1)CC3,4.984
Cc1c[nH]c2c1cccc2,4.171
COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C,7.849
Oc1ccc(cc1)Oc1ccccc1,4.578
CCNc1nc(NC(C)C)nc(n1)SC,4.377
O=C(c1ccccc1C(=O)Oc1ccccc1)Oc1ccccc1,6.600
CCOC(=O)c1ccccc1C(=O)OCC,4.116
CC(COC(=O)c1ccccc1C(=O)OCC(C)C)C,5.490
CCCCOC(=O)c1ccccc1C(=O)OCCCC,5.367
O=CC=C1N(C)c2c(C1(C)C)cccc2,4.711
CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,5.224
O=N(=O)c1cccc2c1cccc2,4.284
c1ccc2c(c1)[nH]c1c2cccc1,5.292
CC(=C)C(=O)OCCO,2.758
COP(=O)OC,2.689
O=C(c1ccccc1O)Nc1ccccc1,4.732
Clc1c(Cl)cccc1Cl,4.890
ClC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,6.416
OC1COC(C(C1O)O)O,0.600
CCOC(=O)C(C(C(=O)OCC)O)O,2.501
Brc1cscc1,4.421
O=Cc1ccc(cc1Cl)Cl,4.988
Clc1cc(Cl)c(c(c1)Cl)O,4.499
NC(=O)c1ccccc1N,2.537
O=N(=O)c1ccccc1C,3.568
O=N(=O)c1ccccc1Cl,3.731
O=N(=O)c1ccccc1O,2.939
CCC(c1cc(cc(c1O)N(=O)=O)N(=O)=O)C,6.236
c1ccc(cc1)SSc1ccccc1,6.298
CCOC(=O)c1cccc(c1)N,3.522
Clc1ccc(c(c1Cl)N)Cl,4.730
Cc1ccc(c(c1)N(=O)=O)N,3.789
Cc1ccc(c(c1)O)C(C)C,4.672
O=Cc1ccccc1Cl,4.750
O=Cc1ccccc1O,4.725
Cc1cccc2c1cccc2,4.199
Clc1cccc2c1cccc2,4.849
Oc1cccc2c1cccc2,4.538
Oc1ccccc1c1ccccc1,4.507
O=Cc1cc(Br)cc(c1O)Br,5.518
OCCOc1ccc(cc1)C(CC(C)(C)C)(C)C,4.668
c1ccc2c(c1)cccc2,4.322
c1ccc2c(c1)nccc2,3.448
COc1ccccc1N(=O)=O,2.904
CCN(C1CCCCC1)CC,3.861
CCN(c1ccccc1)CC,3.959
OCCN(c1cccc(c1)C)CC,3.530
Nc1ccc(cc1Cl)c1ccc(c(c1)Cl)N,5.107
c1ccc(cc1)c1ccccc1,4.809
Oc1ccc(cc1)c1ccccc1,4.440
OC(C(F)(F)F)C(F)(F)F,2.838
C=CCC(C=C)O,3.411
OCCC#C,3.288
CCOC(=O)c1ccccc1,4.247
O=C(c1ccccc1)CC(=O)C,5.169
CC(=O)c1cccn1C,2.895
Clc1cc(Cl)c(c(c1Cl)O)Cl,5.348
ClCC(=O)c1ccc(cc1)Cl,4.208
c1ccc(cc1)c1ccncc1,3.984
CCOC(=O)c1ccc(cc1)N,3.665
O=C(N1CCCCC1)C=CC=Cc1ccc2c(c1)OCO2,4.561
ON=Cc1ccccc1O,4.628
OC(=O)COc1ccc(cc1Cl)Cl,2.839
OC(=O)CCCOc1ccc(cc1C)Cl,4.262
OC(=O)CCCOc1ccc(cc1Cl)Cl,4.141
CCP(=S)(Sc1ccccc1)OCC,5.354
O=S(c1ccccc1)c1ccccc1,3.365
O=Cc1ccc(cc1O)O,4.023
c1ccc2c(c1)scn2,3.325
Cc1ccccc1C,3.811
Cc1ccccc1O,3.897
Cc1ccccc1Cl,4.230
Clc1ccccc1Cl,4.194
Nc1ccccc1Cl,4.353
Cc1ccccc1F,3.753
Cc1ccccc1N,3.120
Oc1ccccc1Cl,3.995
Cc1ccc(c(c1)C)C,4.192
Oc1ccc(c(c1)C)C,3.920
Clc1ccc(c(c1)Cl)C,4.540
Cc1ccc(c(c1)Cl)Cl,4.743
Nc1ccc(c(c1)Cl)Cl,4.332
Nc1ccc(c(c1)N)C,1.935
Clc1ccc(c(c1)N)Cl,4.989
Clc1cc(Cl)c(cc1Cl)Cl,5.815
Clc1cc(Cl)c(cc1O)Cl,5.192
c1ccc(cc1)c1ccc(o1)c1ccccc1,6.644
CN(C(=O)C(c1ccccc1)c1ccccc1)C,3.698
C=CCOC(=O)C(=C)C,5.105
O1CC1c1ccccc1,4.050
OCC(CBr)Br,3.487
CC(C=O)CC,3.937
ClCC(CCl)Cl,3.408
CCC(=O)CC,1.748
CC(=NO)CC,2.014
OCCN(C(C)C)C(C)C,2.859
O=N(=O)c1ccc(c(c1)N(=O)=O)N,4.084
Oc1ccc(cc1Cc1cc(Cl)ccc1O)Cl,5.939
C=CCc1ccc(c(c1)OC)O,3.835
O=Cc1ccco1,3.660
O=Cc1cccs1,3.460
Nc1cccc(c1)C(F)(F)F,3.769
CC(c1ccc(cc1)O)(C)C,4.463
CC(c1ccccc1)C,4.279
CC(=O)c1ccccc1,2.870
ClC(=O)c1ccccc1,3.615
O=N(=O)c1ccccc1,3.022
COc1c(N(=O)=O)c(C=O)cc(c1O)Br,3.575
Nc1cccc(c1)C(=O)C,2.550
Cc1cccc(c1)N(=O)=O,3.660
O=N(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O,5.303
O=N(=O)c1ccc(c(c1)C)N,3.242
O=N(=O)c1ccc(c(c1)N)C,3.345
O=Cc1cccc(c1)N(=O)=O,4.416
O=N(=O)c1cccc(c1)N(=O)=O,4.239
CC1=CC=C(CC1)C(C)C,4.638
Cc1ccc(cc1)N(C)C,3.415
Cc1ccc(cc1)N(=O)=O,3.441
CC(COC(=O)C=C)O,4.590
CC(=O)O,2.661
CCOC(=O)C=CC(=O)OCC,4.282
CC1CCC(C(C1)O)C(C)C,3.919
OC(=O)c1nc(Cl)c(c(c1Cl)N)Cl,3.350
CCOC(=O)C(N(C(=O)c1ccccc1)c1ccc(c(c1)Cl)Cl)C,5.749
N#CC(c1cccc(c1)Oc1ccccc1)OC(=O)C(c1ccc(cc1)Cl)C(C)C,8.916
CC(C(Cl)(Cl)Cl)(O)C,3.130
C=CCC1=C(C)C(CC1=O)OC(=O)C1C(C1(C)C)C=C(C)C,6.683
ClC1=C(Cl)C2(C(C1(Cl)C1C2C2CC1C1C2O1)(Cl)Cl)Cl,8.433
BrC1C(=O)C2(C(C1CC2)(C)C)C,3.529
Clc1c(O)c(Cl)c(c(c1Cl)Cl)Cl,6.093
OCCC=CCC,2.494
C[N+](c1ccccc1)(C)C,3.017
c12c(cc(Cl)cc1)OC(=O)N2CSP(=S)(OCC)OCC,6.238
C1(=O)C=CSN1CCCCCCCC,6.183
C1(=O)C(Br)=C(C)NC(=O)N1C(C)CC,3.152
C12C(=O)c3c(C(=O)C=1SC(C#N)=C(C#N)S2)cccc3,6.254
C1(=O)N(C2CCCCC2)C(=O)N(C)C(N(C)C)=N1,2.964
C1(=O)c2c(cccc2)OC(c2ccccc2)=C1,4.803
CN1c2ncn(C)c2C(=O)N(C)C1=O,3.109
c1(C2C(=O)C(c3cc(C(F)(F)F)ccc3)=CN(C)C=2)ccccc1,4.040
C1(O)c2c(cccc2)OC(=O)C=1CC1C(=O)Oc2c(C=1O)cccc2,4.818
C1(=O)c2c(cccc2)N=NN1CSP(=S)(OC)OC,5.317
C1(=O)C(Cl)=C(SCc2ccc(C(C)(C)C)cc2)C=NN1C(C)(C)C,8.201