SMILES,pTD50
ClC1=C(Cl)C=C2C(=C1)OC1=C(O2)C=C(Cl)C(=C1)Cl,10.1367472755469
NC1=C(C2=NC3=C(OC2=C(C)C1=O)C(=CC=C3C(=O)NC1C(C)OC(=O)C(N(C)C(=O)CN(C)C(=O)C2N(C(=O)C(NC1=O)C(C)C)CCC2)C(C)C)C)C(=O)NC1C(C)OC(=O)C(N(C)C(=O)CN(C)C(=O)C2N(C(=O)C(NC1=O)C(C)C)CCC2)C(C)C,9.05346502648725
OC1C2=C(C3=C(OC2=O)C2=C(C=C3OC)OC3OC=CC23)CC1,8.10463291879122
COC1=C2C3=C(C(=O)OC2=C2C(=C1)OC1C2C=CO1)C(=O)CC3,7.98938529166451
O=C1C=C(N2CC2)C(=O)C(=C1N1CC1)N1CC1,7.6616523317822
ClCOCCl,7.50787098337271
O=NN(C)CCC1=CC=CC=C1,7.21625451343509
CN(CCCl)CCCl,7.13636727072558
O=C(C)CN(C)N=O,6.82937334415202
O=P(N(C)C)(N(C)C)N(C)C,6.71678077451204
CC(=O)CNCC(O)C(O)N=O,6.69939076997863
O=NN(CC)CC,6.58592914451313
O=NN1CCCCCCC1,6.57540443702222
O=NN(CC(O)CO)CC(C)O,6.52252077160583
OC(=O)C(N)CC1=CC=C(N(CCCl)CCCl)C=C1,6.5123812640086
OC(C)CN(C)N=O,6.40679575648186
OC1=C2C(=O)C3=C(OC)C=C4C(=C3OC2=CC=C1)C1C(O4)OC=C1,6.32908233517033
CN(N=O)CCCC(=O)C1=CC=CN=C1,6.31688546219751
OC(C1=CC=CN=C1)CCCN(C)N=O,6.30781807198221
COC1=CC2=C(C3=C(N2)C2N(CC3)CC3CC(C(C(C3C2)C(=O)OC)OC)OC(=O)C2=CC(=C(OC)C(=C2)OC)OC)C=C1,6.29866674925968
O=NN1CCC=CC1,6.27084696283615
O=NN1C(C2=CN=CC=C2)CCC1,6.2675598675758
O=NN(C)CC,6.24344982261863
ClC(C)N(N=O)C(=O)NCC(O)C,6.22803299220081
O=N(=NC)C,6.2013263128505
O=C(C12C3(C)C(CC1OC(O2)CCCC)C1C(C2(C)C(=CC(=O)C=C2)CC1)C(O)C3)CO,6.18403788324544
CC12C(C3C(C4=C(CC3)C=C(O)C=C4)CC1)CCC2(O)C#C,6.17085318540029
O=NN1C(=O)NC(=O)CC1,6.16308884733089
O=C1N(C=NC(N)=N1)C1OC(CO)C(O)C1O,6.15730527464757
O=C(C1=C(N=CN1C)N(C)N=O)N(C)N=O,6.09202787894382
O=C(OC1CC2=CCC3C(C2(C)CC1)CCC1(C)C3CCC1C(C)CCCC(C)C)CC1=CC=C(N(CCCl)CCCl)C=C1,6.09092104990939
OC1=CC=C(C(=C(C2=CC=C(O)C=C2)CC)CC)C=C1,6.08039706025242
S=P(N1CC1)(N1CC1)N1CC1,6.0621220425065
NC(=O)N(C)N=O,6.04609509705206
FCCN(N=O)C(=O)N,6.03373633499879
O=NN1CCOCC1,6.02747529311894
CC=C(C)C(=O)OC1C2N(CC=C2COC(=O)C(O)(C(C)OC)C(O)(C)C)CC1,6.02440894536384
OC1=C2C(=O)C3=C(C=C4C(=C3OC2=C(C(=C1)OC)OC)C1C(O4)OC=C1)OC,6.02360990823094
O=NN1CC(C)N(C)C(C)C1,6.01751316533564
O=NN(C)C1=CC=CC=C1,5.9817334480438
O=NN(C(=O)NCC(=O)C)CC,5.98079408207917
ClCC(Br)CBr,5.96022368501668
O=NN1CN(N=O)CCC1,5.93865262629478
C=CC1=CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O,5.90895830273325
O=NN(C)C,5.88789362236984
O=N(=O)C1=CC2=C(C3=C(C2)C=CC=C3)C=C1,5.86988215932042
O=NN(CCC)CCC,5.84505867820838
CN(N=O)C(=O)OC1=C(OC(C)C)C=CC=C1,5.81591311446616
O=NN(C)C1=NC=CC=C1,5.80674847169807
O=C1C2=C(OC)C=C3OC(C)(C)C=CC3=C2N(C)C2=C1C=CC=C2,5.8037136843846
O=C(NC(C)C)C1=CC=C(CNNC)C=C1,5.79967213873971
CC1=C(N(=O)=O)C=CC=C1N(=O)=O,5.79500722036801
CN(C)NC1=NC(=CS1)C1=CC=C(O1)N(=O)=O,5.79250597147416
ClCCNC(=O)N(N=O)CCO,5.73992773366565
OCCN(N=O)C(=O)N,5.73680813248407
OS(=O)(=O)C1=CC2=C(C(=O)C(=NNC3=CC=CC=C3)C(=C2)S(=O)(=O)O)C(N)=C1N=NC1=CC=C(C2=CC=C(N=NC3=C(N)C=C(N)C=C3)C=C2)C=C1,5.72490424866783
OC1(C(C)CC(=CC)C(=O)OC2C3N(=O)(CC2)CC=C3COC1=O)CO,5.71021856431383
OS(=O)(=O)C1=CC(=C2C(=C1)C=C(C(=NNC1=CC=C(C3=CC=C(NN=C4C(=O)C5=C(N)C=C(S(=O)(=O)O)C=C5C=C4S(=O)(=O)O)C=C3)C=C1)C2=O)S(=O)(=O)O)N,5.68872271011469
NC(C)C(O)CC(O)CCCCC(O)CC(C)CC(OC(=O)CC(C(=O)O)CC(=O)O)C(OC(=O)CC(C(=O)O)CC(=O)O)C(C)CCCC,5.68234366876992
O=NN(C)CCCCCCCCCCCC,5.62867294348817
CC(=O)CN(N=O)CC=C,5.62772008220431
ClCC=CCCl,5.6241389711511
OC1(C)C(C)CC2(OC2C)C(=O)OC2C(=O)C(=CCN(C)CC2)COC1=O,5.61667276848548
OC1(C(C)CC(=CC)C(=O)OC2C3N(CC2)CC=C3COC1=O)CO,5.61028744666005
O=NN1C(C)SC(C)SC1C,5.60004209042851
OCCCCN(N=O)CCCC,5.58123365634316
NC(=O)N(N=O)CC=C,5.5782303932103
OC1OC(=O)C(=C1C(Cl)Cl)Cl,5.57165810167507
NC1=NC(=C2C(=C1C)NC1=C2C=CC=C1)C,5.56515457007017
O=NN(CCCC(F)(F)F)CCCC(F)(F)F,5.55128067545128
NC1=CC=C(C=CC2=C(OC)C=CC(=C2)OC)C=C1,5.54913545266613
O=P1(OCCCN1CCCl)NCCCl,5.54813814818599
ClC12C3(Cl)C4(Cl)C5(Cl)C(C1(Cl)C4(Cl)Cl)C2(Cl)C(Cl)(Cl)C35Cl,5.54414852160459
CC1C(O)(C)C(O)(C)C(=O)OCC2=CCN3C2C(OC1=O)CC3,5.53923230134191
OC(=O)CCCC1=CC=C(N(CCCl)CCCl)C=C1,5.53086776060692
O=NN(CC(=O)C)CC(=O)C,5.50800225817358
NC1=NN=C(S1)C1=CC=C(O1)N(=O)=O,5.50586098782066
ClC1=CC=C(C(=O)N2C3=C(C(=C2C)CC(=O)O)C=C(OC)C=C3)C=C1,5.49292720183966
OCCNC(=O)N(N=O)CC,5.48958486934775
O=C1OCCN1N=O,5.47927983357512
NC(=O)N(N=O)CCCCC,5.45761297816056
OCCN(N=O)C(=O)NCC,5.45751905678095
NC(=O)N(N=O)CCCC,5.44835611725117
ClCCN(C(C)COC1=CC=CC=C1)CC1=CC=CC=C1,5.44519858099726
OC(=O)C(N)CCCNC(=O)N(C)N=O,5.44290111109626
C1=C2C(=C3C=CC4=C5C3=C1C=CC5=CC=C4)C=CC=C2,5.42147536642318
O=C(N)C1=C(N=CN1)N=NN(C)C,5.40925045412189
O=C(NC1=C(Cl)C=NC=C1Cl)C1=CC(=C(OC)C=C1)OC1CCCC1,5.39369209325426
NC1=NC2=C3C(=CC=C2N1C)N=CC=C3,5.38760042545264
ON(C1=CC2=C(C3=C(C2)C=CC=C3)C=C1)C(=O)C,5.38413003444408
ClCCNC(=O)N(N=O)CC(O)C,5.38044043365748
O=C(CO)C1(O)C2(C)C(C3C(C4(C)C(=CC(=O)C=C4)CC3)C(O)C2)CC1,5.37214636977696
COC1=C(N)C=CC(=C1)C1=CC(=C(N)C=C1)OC,5.37087075020654
O=NN(CCCC)CCCC,5.35984206920439
FC1=CC=C(C2=CC=C(NC(=O)C)C=C2)C=C1,5.35598721279303
O=N1=CC(=CC=C1)C1N(N=O)CCC1,5.34350908520181
OC1(C)C(C)CC(=CC)C(=O)OC2C(=O)C(=CCN(C)CC2)COC1=O,5.33234434267855
CN(N=O)C(=O)NC1=NC2=C(S1)C=CC=C2,5.32029631494156
O=NN(C)CC(O)CO,5.31730603407234
O=C1C(=NNC2=C(C)C=C(C=C2)C2=CC(=C(C=C2)N=NC2=CC=C(OS(=O)(=O)C3=CC=C(C)C=C3)C=C2)C)C2=C(C=C1)C=C(C=C2S(=O)(=O)O)S(=O)(=O)O,5.30594405884234
NC1=CC=C(C2=CSC(=N2)NN)C=C1,5.30159610676488
OC(C(=O)OCC1=CCN2C1C(OC(=O)C(=CC)C)CC2)(C(C)C)C(O)C,5.30041939424586
CNC(=O)C1=C(N=CN1C)N(C)N=O,5.29489523823356
O=NN(CC=C)CC(O)CO,5.28813048076696
O=NN(CC(O)C)CC(O)C,5.28264567762201
O=C(OCC)N(N=O)CCCCC,5.27035431690612
O=C(C)NC1=CC2=C(C3=C(C2)C=CC=C3)C=C1,5.26247034718831
O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr,5.26041442149961
O=C1NC(NC2=C1C=CC=C2)C1=CC=C(S1)N(=O)=O,5.25509001262151
O=C(C)NC1=CC=C(C2=CC=CC=C2)C=C1,5.25293362355695
O=NN(C)C#N,5.24850880103997
C#CC1(OC(=O)C)C2(C)C(C3C(C4C(=CC(=O)CC4)CC3)CC2)CC1,5.24425913484421
O1C=CC=C1,5.23528582920274
O=C(NC1=CC2=C(C3=C(C2)C=CC=C3)C=C1)C(F)(F)F,5.23334291206838
OCCNC1=NC(=NC2=C1C=CC=C2)C1=CC=C(S1)N(=O)=O,5.22830742409291
O=N1=CC=C(N=NC2=CC=C(N(CC)CC)C=C2)C=C1,5.2197063186984
O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl,5.21946539853086
CN(C)N(=O)=O,5.21664741512273
OC(C)CN(N=O)CC=C,5.21588072733583
O=NN(C)CCCCCCCCCC,5.20135615121019
O=NN(C)CCCCCCCCCCCCCC,5.19148065408148
OCCCN(N=O)C(=O)N,5.17737034989995
OC(=O)CCCN(C)N=O,5.17267128514955
OC(=O)C(C)(C)OC1=CC=C(C2C(Cl)(Cl)C2)C=C1,5.16666282811958
O=NN(CC(C)O)CCO,5.1621322632001
S=C1N=C(N)NC2=C1N=CN2C1OC(CO)C(O)C1,5.13003969678269
NC(=NN(=O)=O)N(N=O)CCC,5.12612942357754
O=N(=O)C1=CC=C(O1)C1=NC(=NC(N)=N1)N,5.11367210219075
ClC1=C(Cl)C(=CC=C1Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1,5.10865216180835
CN(N=O)C1=CC=C(N=O)C=C1,5.10393391087004
NC1=NC2=NC=C(C=C2N1C)C1=CC=CC=C1,5.10033452669265
O=NN1CCCC1,5.09797059141671
BrCCBr,5.09199350420523
NC(=O)N(N=O)CC,5.09177340564027
O=P1(OCCCN1)N(CCCl)CCCl,5.07239031289571
O=N(=O)C1=CC=C(S1)C1=NC2=C(C(=N1)N(CCO)CCO)C=CC=C2,5.0598416376362
NC1=CC=C(C2=CC=C(N)C=C2)C=C1,5.02733122155714
BrC(=CC(=O)O)C(=O)C1=CC=C(OC)C=C1,5.01250343360558
S=C1N(C)C=CN1,5.00064676932507
CCC(=C(C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1)C1=CC=CC=C1,4.9722806996673
O=NN(C)CCCCCCCCCCC,4.95637048178212
OCCNCCC(=O)N=O,4.9095102678332
OCCN(C)N=O,4.9068939759474
O=NN1CCCCC1,4.90212389876959
ClC1=NC(=NC(=C1)NC1=C(C)C(=CC=C1)C)SCC(=O)O,4.87078861152938
O=N(=O)C1=C2C3=C(C=C1)C=CC1=C3C(=CC=C1)C=C2,4.87068890505243
NC1=CC2=C(C3=C(O2)C=CC=C3)C=C1,4.8684880118911
ClC1=C(Cl)C(=C(Cl)C(=C1Cl)Cl)Cl,4.86792279102072
NNC1=NC(=CS1)C1=CC=C(N(=O)=O)C=C1,4.8668697260201
CC1=CC(=CC=C1)N=NC1=CC=C(N(C)C)C=C1,4.86309734716964
OCCCN(C)N=O,4.85226865945976
NNC1=NC(=CS1)C1=CC=C(O1)N(=O)=O,4.85072822015927
ClC1=C(C(=O)O)C=C(S(=O)(=O)N2CC(C)CC(C)C2)C=C1,4.83515532328331
CN(C)C1=CC=C(N=NC2=CC=CC=C2)C=C1,4.83291218629979
ClC1=C(Cl)C=CC=C1C1=C(Cl)C(=C(Cl)C=C1)Cl,4.83255095633782
CN(C)N=NC1=CC=CC=C1,4.81013704921115
ClC1=CC=C(C2=CC=C(OC(C)(C)C(=O)OC)C=C2)C=C1,4.80454118344048
O=NN(CC)CC(F)(F)F,4.79202044591547
O=NN1C(C)(C)C=C(C)C2=C1C=CC=C2,4.78606569003429
C1=C(OCC2OC2)C=CC=C1OCC1OC1,4.76932495684911
NC1=CC=C(SC2=CC=C(N)C=C2)C=C1,4.76568903484514
ClC1=NC(=NC(=C1)NC1=C(C)C(=CC=C1)C)SCC(=O)NCCO,4.7522633596561
O=CNC1=NC(=CS1)C1=CC=C(O1)N(=O)=O,4.75038876702447
NC1=C(C)C=C(C=C1)N=NC1=C(C)C=CC=C1,4.7463588149649
OC1=C([N+](=NO1)CC1=CC=CC=C1)CC(=O)N,4.7422792575964
CN(N=O)CCOS(=O)(=O)C1=CC=C(C)C=C1,4.7308752663485
NC1=NN=C(O1)C1=CC=C(O1)N(=O)=O,4.72785692753684
O=P(OC=C(Cl)Cl)(OC)OC,4.72525000847988
O=C1OC(CN1N=CC1=CC=C(O1)N(=O)=O)CN1CCOCC1,4.70952917708953
CN(N=O)C(=O)C1=CC=CC=C1,4.7060685248633
CC1=C(N)C=C(N)C=C1,4.69425979990475
O=N(=O)C(CC)CC,4.69398060092068
O=C1OCC1,4.69335743311508
O=P(N1C(C)C1)(N1C(C)C1)N1C(C)C1,4.68357319326289
O=NN(C(=O)NCCCC)CCCC,4.6723270779768
O=NN(CCCCC)CCCCC,4.66489522032684
O=C(NC1=NC(=CS1)C1=CC=C(O1)N(=O)=O)C(F)(F)F,4.655561474368
CC1NC(=O)N(N=CC2=CC=C(O2)N(=O)=O)C1,4.64940104708824
O=N(=O)C1=CC=C(O1)C1=CSC(=N1)NN=C(C)C,4.64357925928341
O=C1N(N=CC2=CC=C(O2)N(=O)=O)CCN1,4.62959891577846
NC1=NC2=C(N=C3N2C=CC=C3C)C=C1,4.62598361197873
CC(=O)NC1=CC2=C(C3=C(C2=O)C=CC=C3)C=C1,4.58492728084125
NC1=NC(=CS1)C1=CC=C(O1)N(=O)=O,4.55753599145616
CC(N(=O)=O)CC,4.55697602890656
NC(=O)N(N=O)CCC,4.54137164026271
OC(=O)CN(N=O)C(=O)N,4.53310469677289
CC12C3C(C4C(C)(C(O)(C(=O)COC(=O)CCCC5=CC=C(N(CCCl)CCCl)C=C5)CC4)CC3O)CCC1=CC(=O)C=C2,4.5273616057337
N(NC1=CC=CC=C1)C1=CC=CC=C1,4.51796551679951
OS(=O)(=O)C1=CC(=C2C(=C1)C=C(C(=NNC1=C(OC)C=C(C=C1)C1=CC=C(NN=C3C(=O)C4=C(N)C=C(S(=O)(=O)O)C=C4C=C3S(=O)(=O)O)C(=C1)OC)C2=O)S(=O)(=O)O)N,4.51725877549488
OC(=O)C(N)CCSCC,4.51646753689368
ClC1=CC=C(C(OC(=O)N)(C#C)C2=CC=CC=C2)C=C1,4.51245326948899
O=S1(=O)OCCC1,4.50254055834192
NC(=O)N(N=O)CC(C)C,4.4869855196073
CC1=CC(=CC=C1N)CC1=CC(=C(N)C=C1)C,4.48666062387141
OCN(C1=NC(=NC(=N1)N(CO)CO)N(CO)CO)CO,4.47751293655922
O=C1C2=C(OC(=C1O)C1=CC=C(O)C(=C1)O)C=C(O)C=C2O,4.47602438799828
NC1=CC2=C(C(=N1)C)C1=CC=CC=C1N2,4.47151195716729
NC1=NC2=C(C3=CC=CC=C3N2)C=C1C,4.46891138363676
CC1=C(N(=O)=O)C=CC=C1,4.46876556106833
CC1=C(C=C(N(=O)=O)C=C1)N(=O)=O,4.46729847163985
CN(C)CCN(C1=NC=CC=C1)CC1=CC=CS1,4.45681304059823
NC(=O)NN=CC1=CC=C(O1)N(=O)=O,4.45310884527765
OC(=O)C(C)(C)OC1=CC=C(C2CCCC3=C2C=CC=C3)C=C1,4.45051069824697
O=NN(CC(O)CO)CCO,4.43856589488763
O=NN(CC)C#N,4.43018823330952
ClC#CCl,4.42350581432894
NC1=C(C)C=C(C)C=C1C,4.41750638513513
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,4.41441834335918
O=C(C1=CC=CC=C1)N1C(C)CN(N=O)CC1C,4.40823487238118
O=N(=O)C1=CC=C(O1)C1=CSC=N1,4.40730325057983
O=C1NC(=O)CN(C1)CCCN1CC(=O)NC(=O)C1,4.39918719836559
O=NN1CCSCC1,4.38959406728401
N=C(C1=CC=C(N(C)C)C=C1)C1=CC=C(N(C)C)C=C1,4.38571820414063
O=N(=O)C1=C2C3=C(C=C1)CCC3=CC=C2,4.36128200949508
O=C1NN=C(O1)C1=CC=C(O1)N(=O)=O,4.3596949304692
NC1=CC=C(OC2=CC=C(N)C=C2)C=C1,4.32336294544294
OC1=C(Cl)C(=C(Cl)C(=C1Cl)Cl)Cl,4.30815710973096
O=NN1CCCCCCCCCCCC1,4.28958854347125
BrC1=C2CC3N(C)CC(C=C3C3=C2C(=CC=C3)N1)C(=O)NC1(OC2(O)C3N(C(=O)C(CC(C)C)N2C1=O)CCC3)C(C)C,4.28834258380051
O=C(N)C=C,4.2777035647483
O=N(=O)C1=C2N=CC=CC2=CC=C1,4.24882745226403
OCC1OC1,4.23824864531686
O=N(=O)C1=CC=C(O1)C1=CN=C2N1C=CC=C2,4.22665997757143
ClC1=CC=C(N)C=C1,4.22379800983566
O=CC=CC,4.22240577818607
O=NN1C(C2=CN=CC=C2)CCCC1,4.20600860942994
OCCN1C(=O)N(N=CC2=CC=C(O2)N(=O)=O)CC1,4.20578488769569
CN(C)C1=CC=C(CC2=CC=C(N(C)C)C=C2)C=C1,4.19062221267017
OC1CN(N=O)CC1,4.18124035590595
CCC(=CCC)N(=O)=O,4.17360039310343
ClCOC,4.16550439854075
O=C(OC1=C2C(=CC=C1)C=CC=C2)NC,4.15445483779834
O=C(C)N(C1=C2CC3=CC=CC=C3C2=CC=C1)C(=O)C,4.14499428935951
O=NN1CCNCC1,4.11770870012392
O=C(C)N(CC)CC,4.11440967116486
S=C1NCCN1,4.09918693775148
CN(C)CNC1=NN=C(O1)C=CC1=CC=C(O1)N(=O)=O,4.09574858491847
S=C1NC(=CC(=O)N1)CCC,4.0943236958231
COC1=C(Cl)C(=C(Cl)C(Cl)=C1Cl)Cl,4.05326684897433
O=S(=O)(C1=CC=C(N)C=C1)C1=CC=C(N)C=C1,4.04473202444375
O=CNNC1=NC(=CS1)C,4.03807540711732
S=C1NC(=O)C=CN1,4.03218317141919
ClC=C,4.00982435354065
OCC1=CC=CO1,4.00939755298738
NC1=CC=C(CC2=CC=C(N)C=C2)C=C1,3.99621321106377
O=NN1C(C)CCCC1,3.9872205852549
OC(C1=CC=C2C(=C1)OCO2)C=C,3.9860523434476
ClC1(Cl)C2(Cl)C(C(C1(Cl)C(=C2Cl)Cl)C(=O)O)C(=O)O,3.97911289346874
O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl,3.96786153715593
O=C1N(C=C)CCC1,3.96669618008661
C=CCC1=CC=C(C(=C1)OC)OC,3.95650897647
ClC1=C(N)C=CC(=C1)C1=CC(Cl)=C(N)C=C1,3.95463163738706
ClC(=C)CSC(=S)N(CC)CC,3.93319667579242
NC1=NN=CN1,3.9273069384528
O=C1C(=NNC2=CC=CC=C2)C2=C(C=C1)C=CC=C2,3.92659335677243
NC1=C2C(=C(Br)C=C1Br)C(=O)C1=C(C2=O)C=CC=C1,3.91818868720173
N(=NC1=CC=CC=C1)C1=CC=CC=C1,3.87858209807416
NC1=C(OC)C=C2C(=C1)OC1=C2C=CC=C1,3.866454382477
N=C1C=CC(=C(C2=CC=C(N)C=C2)C2=CC=C(N)C=C2)C=C1,3.86292782616754
ClC(=C)C=C,3.85020595968309
ClCCCl,3.83110051122664
O=C1OC2=C(OC)C3=C(C=CO3)C=C2C=C1,3.82428958689081
O=C(C)OC1CC2=CCC3C4C(C)(C(=O)CC4)CCC3C2(C)CC1,3.82363866766537
S=C(N)C,3.81513774532087
O=C1OC(C)C1,3.79506978746072
ON=C(C)C,3.78109528908523
OC(CNC(C)(C)C)C1=CC(=C(O)C=C1)CO,3.77690230726276
O=S(=O)(C1=CC=C(NC(=O)C)C=C1)C1=CC=C(NC(=O)C)C=C1,3.7765539507494
ClC1=NC(=NC(=N1)NC(C)C)NCC,3.77033523295132
ClC1=CC=C(OC2=CC=C(N)C=C2)C=C1,3.76657638084873
BrC=C,3.76200581191281
ClC(Cl)(Cl)Cl,3.74297224617139
S=C(NCC)NCC,3.74111317273084
O=C(C)OC(C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1)CC,3.71587780259547
O=C1C(=CO)CC2(C)C3C(C4C(C)(C(O)(C)CC4)CC3)CCC2C1,3.69633548940942
O=N(=O)C1=CC=CC=C1,3.68375103425424
O=NN1OCCCC1,3.67929551746126
ClC(Cl)C(Cl)(Cl)SN1C(=O)C2C(C1=O)CC=CC2,3.67720501977871
S=C(N(C)C)NC,3.66100401673522
C=CC1=CC=CC=C1,3.65029960033674
NCN(=O)=O,3.64057703771581
NC1=NC2=C(N=C3N2C=CC=C3)C=C1,3.63894336411243
CC(=O)NCC1=NC(=NO1)C1=CC=C(O1)N(=O)=O,3.62647092481015
NC1=C(OC)C=CC=C1,3.61768678314037
O=S(C)C1=CC(=C(C2=NC3=C(N2)C=NC=C3)C=C1)OC,3.61020394756304
O=C1NC(=O)C(C(=O)N1)(CC)CC,3.60535597821377
NC1=C(C)C=C(C)C(=C1)C,3.60465765083923
NC1=C(C)C=CC2=C1C(=O)C1=C(C2=O)C=CC=C1,3.60289073815158
OC(C1=C(F)C=C(F)C=C1)(CN1N=CN=C1)CN1N=CN=C1,3.57923234182257
O=C1OC2=C(C=C1)C=CC=C2,3.57149105969388
O=NN(CC=C)CC=C,3.57070993351463
NC1=CC2=C(N(C3=C2C=CC=C3)CC)C=C1,3.56539037363419
ClCCOS(=O)OC(C)COC1=CC=C(C(C)(C)C)C=C1,3.53943602065054
OC1CC2=CCC3C4C(C)(C(=O)CC4)CCC3C2(C)CC1,3.53834552237071
O1C(C1)COC1=CC=CC=C1,3.53314351816948
O=P(OCCCl)(OCCCl)OCCCl,3.51757028189608
FC1=CC=C(C2=C(N(C3=C2C=CC=C3)C(C)C)C=CC(O)CC(O)CC(=O)O)C=C1,3.51742394167405
NC1=NC=C(S1)N(=O)=O,3.5124549530458
CC1=C(N(=O)=O)C2=C(C=C1)C(=O)C1=C(C2=O)C=CC=C1,3.49849959787514
N#CC=C,3.4969023125058
NC1=C(OC)C=CC(=C1)N(=O)=O,3.49410836474185
O=NN1CC(=O)NC1=O,3.46936566794139
ClC=C(C)C,3.45446656247499
S=C(SN1CCOCC1)N1CCOCC1,3.43700909218242
CCC1(C2=CC=CC=C2)C(=O)NC(=O)NC1=O,3.43142996938231
O=C(C)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,3.41960989258964
IC(C)C1OCC(CO)O1,3.4073895581061
NC1=C(C)C=CC=C1,3.39051825067687
ON=C1CCCC1,3.38448661731029
OC1=C2C(=CC=C1)C(=O)C1=C(C2=O)C=CC=C1,3.37984627329391
O=NC1=C(C)C=CC=C1,3.37826742061009
BrCC(CBr)(CO)CO,3.37287834699364
NC1=CC2=C(C=C1)C=CC=C2,3.36631741830388
FC=C,3.36213946534549
NC1=C2C(=CC=C1)C(N)=CC=C2,3.35659696502858
BrC(Cl)Cl,3.35405012288194
NC1=CC=C2C(=C1)C(=O)C1=C(C2=O)C=CC=C1,3.34442495982254
O1C(C2=CC=CC=C2)C1,3.336208588474
O=C(N)OCC,3.33389460379884
O1CC1,3.31559154793745
O=NOCC(C)C,3.28014479692904
O=C1C2=C(C(=O)C3=C1C(N)=CC=C3N)C(=CC=C2N)N,3.23544880600215
CCNC(=O)NC1=NC=C(S1)N(=O)=O,3.21762235791599
OC(=O)C1=CN(C2=C(C1=O)C=C1C(=C2)OCO1)CC,3.19430691177395
O=CC=CC=CC,3.18905554621124
OC1=C(O)C=CC=C1,3.1875230873425
ClC1=CC=C(NC(=O)N(C)C)C=C1,3.18081552474853
CN(=O)=O,3.17923358673098
CCC1=CC=CC=C1,3.16504474338833
O=C1NC(=O)N(N=CC2=CC=C(O2)N(=O)=O)C1,3.1646761112904
ClC1=CC=C(OC(C)(C)C(=O)OCC)C=C1,3.157180208622
ClC1=CC(=CC=C1)C1=CC(Cl)=CC=C1,3.15259466192572
NC1=C(OC)C=CC(C)=C1,3.14606187353477
O=P(OCCCC)(OCCCC)OCCCC,3.14436079352124
OC1=C(N)C=CC(=C1)N(=O)=O,3.14254588408628
ClCC(F)(F)F,3.13264986225449
OC1=CC=C(O)C=C1,3.1237987923587
O=C(N)OC,3.12263054599267
O=NN1OCC=CC1,3.10016772352692
O=N(=O)OC(CON(=O)=O)CON(=O)=O,3.09374041825525
N1=CC=CC=C1,3.07016108984666
ON=C(C)CC,3.06796358800073
C[N+](=C1C=CC(=C(C2=CC=C(N(CC3=CC(=CC=C3)S(=O)(=O)O)CC)C=C2)C2=CC=C(N(CC3=CC(=CC=C3)S(=O)(=O)O)CC)C=C2)C=C1)C,3.06627682705081
O=C(OCC=C)CC(C)C,3.06298104666121
OC(=O)C1=CN(C2=C(C1=O)C=CC(=N2)C)CC,3.06273236320539
CCCC1=CC=C2C(=C1)OCO2,3.06004002471136
OC(C)(C)C,3.05971226749893
ClC(=C(Cl)Cl)Cl,3.05830086007427
ClCC=CCl,3.04520284649197
O=C1C(=CC2=C(C1=NNC1=C(C)C=C(C)C=C1)C=C(S(=O)(=O)O)C=C2)S(=O)(=O)O,3.0218972471489
S=C=NCC=C,3.01404443701918
OC(=O)C(C)(C)CCCOC1=C(C)C=CC(=C1)C,3.00582184468248
O=NC1=CC=C(NC2=CC=CC=C2)C=C1,2.99395294805851
O=C1C2=C(C(=O)C3=C1C=CC=C3O)C(O)=CC=C2,2.99142662603978
CN(C)C1=CC=CC=C1,2.98651985998736
FC(=C(F)F)F,2.97068136160175
O=C(NN)C1=CC=NC=C1,2.96107098599157
OC1=C(C2=C(C=C(C=C2)S(=O)(=O)O)C=C1S(=O)(=O)O)N=NC1=C(C)C=C(C)C(=C1)C,2.93684502150204
O=C(OCC)C=C,2.92495566065548
OC(=O)C(Cl)Cl,2.90356684209959
NC1=C(C)C=CC(=C1)C,2.90158628505065
O=[P+](OC)OC,2.89457502544569
CC1OC1,2.89244724142957
S=C(N)N,2.8880736174379
COC1=C(N)C=C(N)C=C1,2.8779538668411
OC1=C(C2=CC=CC=C2)C=CC=C1,2.86548994250357
BrCC,2.86410115334094
O=C(C)NC1=CC=C(NN=C2C(=O)C=CC(=C2)C)C=C1,2.85045049903809
NC1=NC(=C(N=NC2=CC=CC=C2)C=C1)N,2.84742339770221
ClC1=CC(=C(OC2=CC=C(N(=O)=O)C=C2)C=C1)Cl,2.83021322983197
C=C(C)C1CCC(=CC1)C,2.82465534080909
ClC1=CC=C(N)C(=C1)N,2.82366311246659
O=C(O)C=CC1=CC=C(O)C(=C1)O,2.78289565623747
OC=CC=O,2.77135045822477
OC(=O)C1=CC=C(N(=O)=O)C=C1,2.76514367166058
OS(=O)(=O)C1=CC(=C2C(=C1)C=C(C(=NNC1=C(O)C=C(C=C1)C1=CC(=C(NN=C3C(=O)C4=C(N)C=C(S(=O)(=O)O)C=C4C=C3S(=O)(=O)O)C=C1)O)C2=O)S(=O)(=O)O)N,2.74701465834237
OC(CNC(C)(C)C)C1=CC(=CC(=C1)O)O,2.73994687742118
O=C(OCC(CCCC)CC)C1=C(C(=O)OCC(CCCC)CC)C=CC=C1,2.73677040302587
CCCC1=C(COCCOCCOCCCC)C=C2C(=C1)OCO2,2.72807605152009
CC1=CC=C(N(=O)=O)C=C1,2.72721835442704
NC1=NC(=C(C2=NC=NN12)CCOCC)C1=CC=CC=C1,2.71350985717714
OC(=O)CN(CC(=O)O)CC(=O)O,2.71314713104399
CC1=CC=C(O)C(=C1)O,2.69945026452264
OC1=C(N(=O)=O)C=C(N)C=C1,2.6979103834481
OC1=C(Cl)C=C(Cl)C=C1Cl,2.68799221692202
SC1=NC2=C(S1)C=CC=C2,2.6868162528229
O=C1OCC1(C)C,2.67622016675032
CC1=NC=C(N1CCOP(=O)(O)O)N(=O)=O,2.66590622749984
C1=CC=CC=C1,2.66483016353938
ClC1=CC=CC=C1,2.658674012621
ClC(Cl)Cl,2.65861827794525
ClC1=C(N)C=C(N)C=C1,2.65576633202618
NC1=C(N)C=CC=C1,2.63953950363372
BrC(Br)Br,2.59108282254156
OC1=C(O)C=C(O)C2=C1C(=O)C1=C(C2=O)C=CC=C1,2.57736689111712
O=C1C(=CC2=C(C1=NNC1=CC=C(C3=C1C=CC=C3)S(=O)(=O)O)C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O,2.56389305075691
O=C1OC(C2=C1C=CC=C2)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,2.547661208712
NC1=CC=CC=C1,2.53932109431475
O=C(N)NC1=CC=C(OCC)C=C1,2.52578990011192
O1CCOCC1,2.51848993496835
O=C(N)C,2.51607417320709
CCC1OC1,2.51554703696105
O=P(N1CCOCC1)(OC)OC,2.50220797344385
OC1=CC=C(OC)C=C1,2.48644692213418
OC1=CC=C(NC(=O)C)C=C1,2.48483915425016
OC12C(C3=C(OC1)C(O)=C(O)C=C3)C1=CC(=C(O)C=C1C2)O,2.48040768946736
CCCCOC(=O)C1=C(C(=O)OCC2=CC=CC=C2)C=CC=C1,2.47762165774831
ClCC1=CN=CC=C1,2.4692650848219
NC1=C(C)C=C(OC)C=C1,2.46519009129155
O=CC,2.45927972055858
BrC1=C(Br)C(=C(OC2=C(Br)C(=C(Br)C(=C2Br)Br)Br)C(Br)=C1Br)Br,2.45814812392451
O1C2=C(C=C1)C=CC=C2,2.44500390593528
OC(C)C1=CC=CC=C1,2.42607918832763
CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,2.42462032827065
CC1=CC(=C(NN=C2C(=O)C=CC3=C2C=CC=C3)C=C1)N(=O)=O,2.41938178621271
O=C(N)CCCCN1N=C(NC(=NCC(F)(F)F)N)C=C1,2.41794383666603
O=C(C)OC=C,2.40219449486946
OC(=O)C1=CC(=NNC2=CC=C(S(=O)(=O)NC3=NC=CC=C3)C=C2)C=CC1=O,2.39891533776839
O=C(C)OC1CC(C)OC(C)O1,2.38612116689312
ClC1=CC=C(Cl)C=C1,2.35843560350659
O=C(N)OCC(C1=CC=CC=C1)COC(=O)N,2.33958800017459
CC(=C)C=C,2.33771130253881
C=CC=C,2.31648000689718
OC1=C(N)C=C(N(=O)=O)C=C1,2.26410690204423
OC(=O)CCCCCCCCCCN,2.26246381849294
COC1=C(N=C=O)C=CC(=C1)C1=CC(=C(N=C=O)C=C1)OC,2.25951121358256
O=P(C)(OC)OC,2.24858799398046
NC1=NC(=NC(=N1)N)N,2.23449731169154
CC(OCCN(C)C)(C1=NC=CC=C1)C1=CC=CC=C1,2.22513166122608
O=C1NC(=O)NC=C1,2.22283195036795
O=C1C=C(C)N(C)N1C1=CC=CC=C1,2.18477427095239
ClC(Cl)(Cl)SN1C(=O)C2C(C1=O)CC=CC2,2.1599103265753
O=C(C)NC1=CC=C(OCC)C=C1,2.15646628221944
O=CC1=CC=CO1,2.14823064206993
CCN(=C1C=CC(=C(C2=CC=C(N(CC3=CC(=CC=C3)S(=O)(=O)O)CC)C=C2)C2=CC=C(S(=O)(=O)O)C=C2)C=C1)CC1=CC(=CC=C1)S(=O)(=O)O,2.12372181723647
COC(C)(C)C,2.09887623769763
O=C1NC(=NC=C1CC1=CC=C(C)N=C1)NCCSCC1=CC=C(O1)C(N)(C)C,2.09017572556797
ClCCl,2.06933268261446
ClC1=C(C(=C(Cl)C(Cl)=C1C#N)Cl)C#N,2.06870864950788
O=C1C=C(C)CC(C)(C)C1,2.05774435547947
CCN(C1=CC=C(C(=C2C=CC(=[N+](CC3=CC(=CC=C3)S(=O)(=O)O)CC)C=C2)C2=CC=CC=C2)C=C1)CC1=CC(=CC=C1)S(=O)(=O)O,2.04349300781318
OC1=CC=C2C(=C1)OCO2,2.00992500220592
CC1=NC=CN1,1.97584416755473
O=C(OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC)CCCCCCC,1.93315552252686
N=C(N)NC1=NC(=CS1)CSCCNC1=NSN=C1N,1.82101756437355
OC(=O)CCC(=O)NN(C)C,1.80664442064485
OCCOCCO,1.80569079026105
O=C1C(=NNC2=C(C)C=C(C)C(=C2)S(=O)(=O)O)C=C(S(=O)(=O)O)C2=C1C=CC=C2,1.73092448964984
O=C1OC2=C(CC1)C=CC=C2,1.6979704162467
NS(=O)(=O)C1=C(C)C=CC=C1,1.63585398016826
CC1=CC=CC=C1,1.47871933416826
OC(=O)CC1(CN)CCCCC1,1.4664412372466
CC1=CC(=C(C)C=C1)C,1.4413848596212
FC(C)(Cl)Cl,1.34701076846994
O=C1C(=NNC2=CC=C(C3=C2C=CC=C3)S(=O)(=O)O)C2=C(C=C1)C=C(C=C2S(=O)(=O)O)S(=O)(=O)O,1.34204430114055
O=C(OCC=CC1=CC=CC=C1)C1=C(N)C=CC=C1,1.32084261832153
C=C(C)C,1.19878343131215
OCC,0.703885129161544
FCC(F)(F)F,0.533060529194463
OC(=O)CN,0.465513853849645
NC1=C(C)C(=O)C2=C(C(C3(N2CC2NC23)OC)COC(=O)N)C1=O,8.51557179915063
ClCCN(N=O)C(=O)NC1C(O)OC(CO)C(O)C1O,6.92247217541964
ClC1=C2CC(C)OC(=O)C2=C(O)C(=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)O,6.47264117265955
CC=C1C(=O)OC2C3N(CC2)CC=C3COC(=O)C(O)(CO)C(=C)C1,6.46774909022524
O=NN1CCCN(N=O)CC1,6.41021797082138
O=C(OCC)N(N=O)CC,6.20861434246114
FC1=CC=C(N(C)N=O)C=C1,5.78138024574518
CC1=CC=C2C3=C1CCC3=C1C(=C2)C2=C(C=C1)C=CC=C2,5.73762285875136
O=NN(C)C1=CC=C(C=CC2=CC=NC3=C2C=CC=C3)C=C1,5.61691824263091
NC(=O)N(N=O)CCCCCC,5.52846311850712
NC1=C(C)C=C(C=C1)C1=CC=C(N)C(=C1)C,5.52827950532593
ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl,5.48885285535388
CN(N=O)C(=O)NC(C=O)C(O)C(O)C(O)CO,5.4399811298365
OCCN(N=O)CC=C,5.42334666301952
NC(=NN(=O)=O)N(C)N=O,5.26287646032642
O=N(=O)C1=CC=C(O1)C1=NC(=CC(=N1)C)C,5.19781960757642
NC1=NC2=C3N=C(C)C=NC3=CC=C2N1C,5.10875793816446
O=C1NN=C(C2=CC3=C(NC(=O)C3(C)C)C=C2)CC1,5.10722330482252
ClC(CCl)CCl,5.03825180246457
O=N(=O)C1=CC=C(S1)C1=NC2=C(C(=N1)N1CCOCC1)C=CC=C2,4.83293215748787
O=CNNC1=NC(=CS1)C1=CC=C(O1)N(=O)=O,4.70106568919261
O=C(C1=CC=C(N(C)C)C=C1)C1=CC=C(N(C)C)C=C1,4.67742832179827
O=NN(CCO)CCO,4.62647928984967
ClC1=NC(=NC(=N1)NC(C)(C)C#N)NCC,4.58005920868396
BrCC(O)C(O)C(O)C(O)CBr,4.56577604507794
CC1C(C)OC=C2C(=O)C(=C(O)O)C(=O)C(=C12)C,4.52446780256691
ClCC1OC1,4.49496221948995
CC(=O)NC1=NN=C(S1)C1=CC=C(O1)N(=O)=O,4.45876394101934
ClC1=C(C2=C(Cl)C=C(Cl)C=C2)C=CC(=C1)Cl,4.39348121120825
O=N(=O)C1=CC=C(O1)C1=NC(=NC(=N1)NC(=O)C)NC(=O)C,4.33683500354227
CC(=O)NC1=NC(=CS1)C1=CC=C(O1)N(=O)=O,4.1531049281837
ClC1=CC(=CC=C1N)CC1=CC(=C(N)C=C1)Cl,4.14120323414877
COC1=C(N(=O)=O)C=CC=C1,3.99195099892467
NC(=O)C(=CC1=CC=C(O1)N(=O)=O)C1=CC=CO1,3.92643992336428
CN1C(=NC=C1N(=O)=O)C,3.91916457331105
C1=CC=CC2=C1C=CC=C2,3.76339580484023
ClC(Cl)(Cl)C(Cl)(Cl)Cl,3.63075747577641
ClC(Cl)(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1,3.62171420741785
CC(=C(Cl)Cl)C(=C(Cl)Cl)Cl,3.56260160882032
O=S(C1=NC2=C(N1)C=C(C=C2)OC)CC1=NC=C(C)C(=C1C)OC,3.46279699800887
ClCF,3.39621640776328
OC(C1=CC=CC=C1)C(C)N(C)N=O,3.30968025617307
ONC1=CC=C(N=O)C=C1,3.1149635959631
O=NN(C1=CC=CC=C1)C1=CC=CC=C1,3.07443253433142
COC1=CC=C(CN(C2=NC=CC=C2)CCN(C)C)C=C1,3.00827189383879
OCC1=NN(C)C(=N1)NCCCOC1=CC(=CC=C1)CN1CCCCC1,2.87532242643053
NC1=C(N)C=CC(=C1)C1=CC(N)=C(N)C=C1,2.73435717993043
C=CCC1=CC=C2C(=C1)OCO2,2.56557263123595
OS(=O)(=O)C1=C(NC2=CC=CC=C2)C=CC(=C1)NC1=C(C=C(C=C1)N(=O)=O)N(=O)=O,2.40086858433636
O1CCCC1,2.24837530855804
FC(F)(F)C(Cl)Cl,1.80974434251832