SMILES,pTD50
ClC1=C(Cl)C=C2C(=C1)OC1=C(O2)C=C(Cl)C(=C1)Cl,9.31469053946421
O=C1C=C2C3(O)C(C)(C(C(C)C(O)CCC(O)(C)C)CC3)CCC2C2(C)CC(O)C(O)CC12,7.11322861415348
OC1=CC=C(C(=C(C2=CC=C(O)C=C2)CC)CC)C=C1,6.83652516590471
O=C1N(C=NC(N)=N1)C1OC(CO)C(O)C1O,6.49901323534295
CC1=C2C(=C(C)C3=C1C=CC=C3)C1=C(C=C2)C=CC=C1,6.48453878812744
OC(=O)C(N)CC1=CC=C(N(CCCl)CCCl)C=C1,6.30849284333198
OC1(C#C)C2(C)C(C3C(C4=C(CC(=O)CC4)CC3)CC2)CC1,6.0292227040406
O=C(OC1CC2=CCC3C(C2(C)CC1)CCC1(C)C3CCC1C(C)CCCC(C)C)CC1=CC=C(N(CCCl)CCCl)C=C1,6.01984202661224
CN(N=O)C(=O)NC(C=O)C(O)C(O)C(O)CO,5.98903851292683
S=P(N1CC1)(N1CC1)N1CC1,5.92866102750604
O=C(N)OC=C,5.84648346877404
ClCOCCl,5.80046781149983
CC12CCC3C(C1CCC2OC(=O)CC1=CC=C(N(CCCl)CCCl)C=C1)CCC1=C3C=CC(=C1)OC(=O)CC1=CC=C(N(CCCl)CCCl)C=C1,5.73552638276279
OC1C(C2(C)C3(CC(C(=CC3OC1C21OC1)C)OC(=O)CC(C)C)COC(=O)C)OC(=O)C,5.72291086666732
CNNC,5.72195805859604
O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl,5.69864562180285
ClC(Cl)(Cl)C1=CC=CC=C1,5.69339092584603
C=C1C2(Cl)C(Cl)C(Cl)(C1(C)C)C(Cl)(Cl)C2(Cl)Cl,5.63028909694773
ClC1(Cl)C2(Cl)C3C(C1(Cl)C(=C2Cl)Cl)C1CC3C2OC12,5.62082468559677
O=C(NC(C)C)C1=CC=C(CNNC)C=C1,5.59834505626796
O=NN(C)C,5.59325042536726
ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl,5.57545811948071
CCC(=CCC)N(=O)=O,5.572042186328
OC1=C2C(=O)C3=C(OC)C=C4C(=C3OC2=CC=C1)C1C(O4)OC=C1,5.55284007459402
ClC1CC2C3(Cl)C(Cl)(Cl)C(Cl)(C2C1Cl)C(=C3Cl)Cl,5.47582616360758
ClC1(Cl)C2(Cl)C3C(C1(Cl)C(=C2Cl)Cl)C1CC3C=C1,5.45837978271086
C#CC1(OC(=O)C)C2(C)C(C3C(C4C(=CC(=O)CC4)CC3)CC2)CC1,5.40495606640962
O=NN1CCCCCC1,5.38516059392693
BrC1=C(Br)C(=C(Br)C=C1Br)C1=C(Br)C(=C(Br)C(Br)=C1Br)Br,5.37914339214275
OCCNN,5.28258159466355
O=C(N)C1=C(N=CN1)N=NN(C)C,5.27553167642547
CC1=C(N(=O)=O)C2=C(C=C1)C(=O)C1=C(C2=O)C=CC=C1,5.23377085177739
ClC(CCl)CCl,5.22657751793726
ClC#CCl,5.21847694857484
FC1=CC=C(C2=CC=C(N)C=C2)C=C1,5.21543115135748
OCCN(N=O)C(=O)N,5.21144465515147
O=NN1CCCC1,5.16864759645019
O=NN(CCCC)CCCC,5.16189361863797
ClC1=CC=C(C2=CC=C(OC(C)(C)C(=O)OC)C=C2)C=C1,5.08429535857156
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=C1,5.08368445859624
N1CC1,5.05781174074408
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,5.0265651535451
O=NN1CCCCC1,4.94351658392782
ClCC(Br)CBr,4.93895454506373
CCC(=C(C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1)C1=CC=CC=C1,4.92751136535069
NC(=O)N(C)N=O,4.92326971975716
ClCC=CCCl,4.91505183252354
NC1=CC=C(C2=CC=CC=C2)C=C1,4.90623881205532
ClCOCC1=CC=C(COCCl)C=C1,4.8785042472232
C1=C2C(=C3C=CC4=C5C3=C1C=CC5=CC=C4)C=CC=C2,4.86160378390841
NC(=NN(=O)=O)N(C)N=O,4.86009596769189
ClCOC(COCCl)COCCl,4.83911961715503
O=CN(C)N=CCCCCC,4.82639600227594
O=CN(C)N=CCC(C)C,4.80459137381128
ClC1=C2CC(C)OC(=O)C2=C(O)C(=C1)C(=O)NC(CC1=CC=CC=C1)C(=O)O,4.79932205151095
O=C1OCC1,4.76428860373729
NC(=NCC)N(N(=O)=O)N=O,4.75383003497228
ClCCN(C(C)COC1=CC=CC=C1)CC1=CC=CC=C1,4.75346028924511
O=CN(N)C,4.7329916623841
O=P1(OCCCN1CCCl)NCCCl,4.71263206974102
S=P(SCN1N=C(SC1=O)OC)(OC)OC,4.69945062595733
C1=C2C3=C(C=CC2=CC2=C4C(=CC=C12)C=CC=C4)C=CC=C3,4.67520859469792
OC(=O)C(C)(C)OC1=CC=C(C2C(Cl)(Cl)C2)C=C1,4.66873736478292
FC1=CNC(=O)NC1=O,4.64290980268252
O=P1(OCCCN1)N(CCCl)CCCl,4.64153632684058
NC1=CC2=C(OC3=C2C=CC=C3)C=C1,4.63557383612459
OC(=O)C1=CN(C)C2=C(C1=O)C=CC(=N2)C=CC1=CC=C(O1)N(=O)=O,4.62838918456316
O=CN(C)N=CCCCC,4.61887013080331
O=NN1CCN(N=O)CC1,4.60245821356755
ON(C1=CC2=C(C3=C(C2)C=CC=C3)C=C1)C(=O)C,4.58439893237254
NC1=NC2=C(N=C3N2C=CC=C3C)C=C1,4.56476269487085
OS(=O)(=O)O,4.55700925059396
ClCOCCOCCl,4.53678382764167
ClC1=C(Cl)C=CC=C1C1=C(Cl)C(=C(Cl)C=C1)Cl,4.53242668463486
CCC1(C2=CC=CC=C2)C(=O)NC(=O)NC1=O,4.49846093276683
O=CN(N)CC,4.49785977633234
CN1C(=C(N(=O)=O)N=C1)SC1=C2NC=NC2=NC=N1,4.49252847336474
OC1C2C3C(O)C4C25C(=C(O)C2=C(C5=O)C(O)=C(C)C=C2O)C(=O)C1C31C(=O)C2=C(C(=C1C4=O)O)C(=CC(=C2O)C)O,4.48976839527022
O=C(NC1=NC(=CS1)C1=CC=C(O1)N(=O)=O)C(F)(F)F,4.48830070736113
ClC1=NC(=NC(=C1)NC1=C(C)C(=CC=C1)C)SCC(=O)O,4.47685134531101
O=C(C)NC1=CC2=C(C3=C(C2)C=CC=C3)C=C1,4.46858840196758
BrCC(O)C(O)C(O)C(O)CBr,4.44710881791297
ClC(Cl)(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1,4.44238764810069
NC1=NC(=CS1)C1=CC=C(O1)N(=O)=O,4.42871712517927
ClC(=C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1)Cl,4.40555001924187
BrCCBr,4.40168081940171
O1C=CC=C1,4.39841211109405
O=C(C)OC1C(C)C(OC)C=COC2(C)OC3=C(C)C(=C4C(=C(C(=CNN5CCN(C)CC5)C(=O)C4=C3C2=O)NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C1C)C)O)O,4.38902910595317
O=CNNC1=NC(=CS1)C1=CC=C(O1)N(=O)=O,4.37179245054546
OC1=C([N+](=NO1)CC1=CC=CC=C1)CC(=O)N,4.36104494242722
NNC1=NC(=CS1)C1=CC=C(N(=O)=O)C=C1,4.34806889316021
NC1=NC(=CS1)C1=CC=C(N(=O)=O)C=C1,4.3470344837037
NC1=C(C)C=C(C)C(=C1)C,4.34353645371066
O=C1C=CC(=O)C=C1,4.32879684298607
ClC1=C(N)C=CC(=C1)C1=CC(Cl)=C(N)C=C1,4.31343284585274
ClC(=O)N(C)C,4.30159009258036
ClC1=CC2C3C(C)(C(OC(=O)C)(C(=O)C)CC3)CCC2C2(C)C1=CC(=O)C1CC12,4.27962663483055
NC1=CC=C(C2=CSC(=N2)NN)C=C1,4.26135488798663
NNCCCCC,4.24071972147534
NC1=CC=C(OC2=CC(=C(N)C=C2)N)C=C1,4.20909414206742
CCC1(C2=CC=CC=C2)C(=O)NCNC1=O,4.19907874777176
NC1=CC2=C(C(=N1)C)C1=CC=CC=C1N2,4.19461564122003
NN(C)C,4.181167724007
ClC=CC,4.18050917929508
O=C(NN)C1=CC=CC=C1,4.15220318525619
NS(=O)(=O)C1=CC=C(C2=C1C=CC=C2)S(=O)(=O)CC,4.1519229206487
NNC1=NC(=CS1)C1=CC=C(O1)N(=O)=O,4.13967505516875
NC1=NC2=C(N1C)C(=CC1=NC=CC=C12)C,4.13651722843155
ClCCOCCCl,4.08718388538088
O=CNC1=NC(=CS1)C1=CC=C(O1)N(=O)=O,4.08431147091319
O=CN(N)CCC,4.06518614337616
OC1=C(Cl)C(=C(Cl)C(=C1Cl)Cl)Cl,4.06370056936913
NC1=NC2=C(N=C3N2C=CC=C3)C=C1,4.06116374883155
O=C1NC(=O)CN(C1)CCCN1CC(=O)NC(=O)C1,4.05382263004069
OC(C(Cl)(Cl)Cl)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1,4.05157379345004
ClC(=C)C=C,4.03489391615874
ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1,4.01806588626032
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=C1,4.01300602661407
O=C(SCC(=CCl)Cl)N(C(C)C)C(C)C,4.00520542468643
NC1=NC2=C3C(=CC=C2N1C)N=CC=C3,4.00490038333734
COC1=CC(=CNNC(=O)C2=CC=NC=C2)C=CC1=O,3.99565360601345
O=NN(C)C1=NC=NC2=C1N=CN2,3.99551746582789
NC1=C(C)C=C(C)C=C1,3.99000818783318
O=NN(C)C1=NC=NC2=C1NC=N2,3.98833888120076
NC1=CC=C(C2=CC=C(N)C=C2)C=C1,3.97091109852434
NNCCC1=CC=CC=C1,3.96980639497076
C=CCC1=CC=C(C(=C1)OC)OC,3.96541789362382
NNCC,3.96195907055685
NC1=NC2=C3N=C(C)C=NC3=CC=C2N1C,3.9432597526062
S=C(N)C,3.93085967726244
O=N(=O)C1=CC=C(O1)C1=CN=C2N1C=CC=C2,3.92883512178266
N#CC=C,3.92407193883709
ClC1=NC(=NC(=C1)NC1=C(C)C(=CC=C1)C)SCC(=O)NCCO,3.91517319774432
CC1OC(=O)C2=C(C(=CC(=C2)O)O)C=CCCCC(=O)CCC1,3.91185975485865
ClC1=CC2=C(NC(=O)C(O)N=C2C2=CC=CC=C2)C=C1,3.90356405536881
OC(=O)C(C)(C)CCCOC1=CC(=C(OCCCC(C)(C)C(=O)O)C=C1)C1=CC=CC=C1,3.90166406266331
NC(=N)NCCCC(C=O)NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)CC(C)C,3.8833395145158
O=C(C)NN,3.87627599904289
NNCCCC,3.86244463200689
ClC(C)C=O,3.85566422024964
N(NC1=CC=CC=C1)C1=CC=CC=C1,3.85040397671511
NC1=NC2=NC=C(C=C2N1C)C1=CC=CC=C1,3.82961644529751
NC1=CC=C(SC2=CC=C(N)C=C2)C=C1,3.81392486075615
NC(=O)NN=CC1=CC=C(O1)N(=O)=O,3.80841355140037
NNC,3.78548841713195
ClC=C(C)C,3.78370741404715
NC1=CC=C(OC2=CC=C(N)C=C2)C=C1,3.77520418499051
FC=C,3.75414860679831
N=C1C=CC(=C(C2=CC=C(N)C=C2)C2=CC=C(N)C=C2)C=C1,3.74661681895192
ClC1=CC(C)=C(N)C=C1,3.73943710653477
NC1=C(C)C=C(C)C=C1C,3.73654524740286
NC1=CC2=C(N(C3=C2C=CC=C3)CC)C=C1,3.73619909775546
ClC(=C)CSC(=S)N(CC)CC,3.72452473216903
O=C(N)OCC,3.72195795084157
O=S(C(C)CC1=CC=C2C(=C1)OCO2)CCCCCCCC,3.71739634403575
NC1=NC(=C2C(=C1C)NC1=C2C=CC=C1)C,3.71522800553458
OC=CC=O,3.70849117624414
O=C(NN)C1=CC=NC=C1,3.70419295417285
O1C2=C(C=C1)C=CC=C2,3.67269604104697
ClC(Cl)(Cl)Cl,3.66067776469962
CC1=C(N)C=C(N)C=C1,3.66044549179984
ClC(Cl)C(Cl)Cl,3.64171765553447
ClC1=C(Cl)C(=C(Cl)C(=C1Cl)Cl)Cl,3.64092910712428
O=N(=O)C1=C2C3=C(C=C1)CCC3=CC=C2,3.63843562896742
S=C1NCCN1,3.63820962107382
O=C1C(NC(=O)N1)(C1=CC=CC=C1)C1=CC=CC=C1,3.63027485536809
NC1=NC2=C(N=C1C1=CC=CC=C1)C(=NC(=N2)N)N,3.62397508422024
ClC1=C(Cl)C(=C(N(=O)=O)C(=C1Cl)Cl)Cl,3.61844281742018
COC1=C(Cl)C(=C(Cl)C(Cl)=C1Cl)Cl,3.61520961709431
ClC1=CC(=CC=C1N)CC1=CC(=C(N)C=C1)Cl,3.60328631398624
C=CC=C,3.59010571398137
OCNC(=O)C=C,3.57988627183641
NN(CC=C)CC=C,3.57859662391723
NC1=C(OC)C=C(C=C1)N=NC1=CC=CC=C1,3.57693014197402
NC1=NC2=C(C3=CC=CC=C3N2)C=C1,3.56571840966928
NC1=CC2=C(C=C1)C=CC=C2,3.56040190864273
ClC(Cl)(Cl)C(Cl)Cl,3.54782580368075
CS(=O)(=O)OC,3.53949113816369
OC(C(=O)OCC)(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1,3.53946624768905
BrC(Cl)Cl,3.53586975041282
NC1=NN=CN1,3.5215728016743
C=CCNNCC=C,3.52097163469851
COC1=C(N)C=CC(=C1)C1=CC(=C(N)C=C1)OC,3.51984772768228
CNC1=C(N(=O)=O)C=C(N(CCO)CCO)C=C1,3.51102589667366
N1=CC=CC=C1,3.51078632773191
NN(CCCC)CCCC,3.50400117095026
O=C(C1=CC=C(N(C)C)C=C1)C1=CC=C(N(C)C)C=C1,3.5039114299837
C=CCC1=CC=C2C(=C1)OCO2,3.49989385559197
O=P(OC=C(Cl)Cl)(OC)OC,3.49677067996451
CCCCNNCCCC,3.49449763020552
NC1=NC(=C(N=NC2=CC=CC=C2)C=C1)N,3.47699642547475
O=C(C)NNC1=CC=CC=C1,3.46733606613823
ClC=C,3.4574090701786
COC1=CC=C(CC=C)C=C1,3.45652342565506
OC1=C(C(=O)C)C=CC(=C1CCC)OCCCCC1=NN=NN1,3.45371547887796
C=C(Cl)Cl,3.44743896771783
ClC1(Cl)C2(Cl)C(C(C1(Cl)C(=C2Cl)Cl)C(=O)O)C(=O)O,3.44055394390324
NC1=CC=C(C=CC2=C(OC)C=CC(=C2)OC)C=C1,3.4252521102149
ClC1=CC(=CC=C1OC1=CC(=C(N(=O)=O)C=C1)C(=O)O)C(F)(F)F,3.40907776278343
NC1=C(OC)C=CC(C)=C1,3.40248811963842
OC(C1=CC=C2C(=C1)OCO2)C=C,3.39839017282028
ClC1=CC(=C(OC2=CC=C(N(=O)=O)C=C2)C=C1)Cl,3.39276467987626
ClCC(Cl)Cl,3.38480388337012
O=C1NC2=C(N(N=C2C)CC)C(=NC1)C1=CC=CC=C1,3.37173832054132
O=N(=O)C1=C(C)C(=C(C(C)(C)C)C(=C1C)N(=O)=O)N(=O)=O,3.36933874252641
O=C(OC)C(C1NCCCC1)C1=CC=CC=C1,3.36792628011398
S=C1NC(=O)C=CN1,3.36736744331748
OC(=O)C(N)CCSCC,3.35912571385084
O=C(OCC=C)CC(C)C,3.35492651436341
ClCC=O,3.33734762771756
OCC1OC1,3.32936293953916
NC1=CC=CC2=C1C=CC=C2,3.32788306624433
ClCCOS(=O)OC(C)COC1=CC=C(C(C)(C)C)C=C1,3.32620540777912
NNCC=C,3.32396396907111
FC1=C(N)C(=C(F)C(F)=C1N)F,3.31951039240309
ClCC1=CC=CC=C1,3.31350095458646
NC1=NC(=NO1)C=CC1=CC=C(O1)N(=O)=O,3.29744354333115
ClC1=CC=C(C2=CC=C(COC(C)(C)C(=O)O)C=C2)C=C1,3.29644835921614
ClC(Cl)C(Cl)(Cl)SN1C(=O)C2C(C1=O)CC=CC2,3.29248107738588
BrCC(CBr)(CO)CO,3.28148075862389
NC(=O)C(=CC1=CC=C(O1)N(=O)=O)C1=CC=CO1,3.27751595812068
IC(C)C1OCC(CO)O1,3.27183184548751
O=C(NC(C)(C)C#C)C1=CC(=CC(Cl)=C1)Cl,3.26232783567371
OC1=C(OC)C=C(CNC(=O)CCCCC=CC(C)C)C=C1,3.26216948365418
ClC(Cl)(Cl)C(O)O,3.21897553097254
O=CNN,3.21745024639835
NNCCC,3.21195319253624
O=P(OC(=CCl)C1=C(Cl)C=C(Cl)C(=C1)Cl)(OC)OC,3.20549948395771
NNC1=CC=CC=C1,3.18090165460807
ClC(Br)Br,3.17563130914399
OCCN(CCO)CCO,3.17373447409142
NNCC1=CC=CC=C1,3.15600772199689
ClC1=CC=C(N)C=C1,3.15392994585935
O=C1OC2=C(C=C1)C=CC=C2,3.15193990200917
FC(=C(F)F)F,3.14333624890408
NC1=C(C)C=CC2=C1C(=O)C1=C(C2=O)C=CC=C1,3.1346631965919
CCCC1=CC=C2C(=C1)OCO2,3.11846604916836
CC(OCCN(C)C)(C1=NC=CC=C1)C1=CC=CC=C1,3.11181125114687
CN(C)C1=CC=C(CC2=CC=C(N(C)C)C=C2)C=C1,3.08949571526095
O=C1C2=C(C(=O)C3=C1C=CC=C3O)C(O)=CC=C2,3.07739665298382
CCCC1=C(COCCOCCOCCCC)C=C2C(=C1)OCO2,3.06558677255154
OC(=O)C(Cl)Cl,3.03484575673891
ClC(Cl)Cl,3.03159659047834
CC1=C(N(=O)=O)C=CC=C1,3.02994150811046
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,3.00993348882841
C=CC1CCC=CC1,3.0088447249251
O1C(C2=CC=CC=C2)C1,3.0078363458963
FC(F)(F)C1=CC(=C(N(CCC)CCC)C(=C1)N(=O)=O)N(=O)=O,3.00689267169164
NC(C(=O)O)CCC(=O)NNC1=CC=C(C(=O)O)C=C1,3.00663546058671
C1=CC=CC=C1,3.00341516564675
ClC1=C(N(=O)=O)C=CC=C1,3.00153033245725
NC1=C2C(=CC=C1)C(N)=CC=C2,2.98969119009651
ClCC=CCl,2.97332083918585
ClCC(Cl)(Cl)Cl,2.96484504151802
O=C(N)NNC1=CC=CC=C1,2.96197017715741
ClCC(C)OC(C)CCl,2.95212601733302
OC1=C(N)C=C(N)C=C1,2.93857780263426
COC1=C(N(=O)=O)C=CC=C1,2.93465559497024
NC1=C2C(=C(Br)C=C1Br)C(=O)C1=C(C2=O)C=CC=C1,2.90242813984319
C1=CC=CC2=C1C=CC=C2,2.89560047412138
OC1CC(=O)OC(CCC2C3C(OC(=O)C(C)CC)CC(C)C=C3C=CC2C)C1,2.89515391902056
OCC1=CC=C(NNC(=O)C)C=C1,2.87374714323661
NC1=C(N)C=CC(=C1)C1=CC(N)=C(N)C=C1,2.87156178779766
ClC1=CC=C(C)C(N)=C1,2.86102220113548
ClCCCl,2.85557428060984
ClC(Cl)(Cl)C(Cl)(Cl)Cl,2.84535054022718
O1CC1,2.83983171904083
ClC1=CC=C(OC2=CC=C(N)C=C2)C=C1,2.80268812698361
C=CCOCC1OC1,2.79737561195906
OC1=C(N)C=CC(=C1)C1=CC(O)=C(N)C=C1,2.78715309282145
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,2.78503232155314
O=C(NN)C1=CN=CC=C1,2.7792273980468
O=NC1=CC=C(NC2=CC=CC=C2)C=C1,2.76567008843675
O=C(OCC(CCCC)CC)C1=C(C(=O)OCC(CCCC)CC)C=CC=C1,2.74658538531947
ClCC1=CN=CC=C1,2.74591749883538
NC1=C(C)C=CC(=C1)N(=O)=O,2.73979418569374
CC(=O)NNC(=O)C1=CC=NC=C1,2.73476613949762
O=C(N)CCCCN1N=C(NC(=NCC(F)(F)F)N)C=C1,2.73408125059275
OC(=O)C1=CC=C(S(=O)(=O)N(CCC)CCC)C=C1,2.72299979308245
CC1=NC=C(N1CCOP(=O)(O)O)N(=O)=O,2.69575499719843
C=CC1=CC=CC=C1,2.69543622662884
OS(=O)(=O)CN(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1,2.69391933998036
OC1=CC=C(O)C=C1,2.68964661103221
O=CC1=CC=CO1,2.68818511958987
ClC1=CC=C(Cl)C=C1,2.6581189485353
ClC1=C(S(=O)(=O)N)C=C(C(=O)O)C(=C1)NCC1=CC=CO1,2.65498207514526
OC1=C(O)C=CC=C1,2.65443930280485
O=N(=O)C1=CC=C2N=CNC2=C1,2.64200048033514
O1CCOCC1,2.63537102890703
O=P(OC)(OC)OC,2.6213155140584
S=C1NC(=CC(=O)N1)CCC,2.61932095497216
O=N(=O)C1=CC=CC=C1,2.61899950362926
CC(Cl)CCl,2.61211209226382
ClC=C(Cl)Cl,2.58325992905273
OCC1=CC=CO1,2.57171303753719
O=C(N)NN,2.52716161067016
ClC1=CC=C(N(=O)=O)C=C1,2.52256884412868
O=NOCC(C)C,2.52198036820133
O=C(N)C1=C(OCC)C=CC=C1,2.50786428481124
OC(=O)C1=CC(=NNC2=CC=C(S(=O)(=O)NC3=NC=CC=C3)C=C2)C=CC1=O,2.50340244908078
O=C(OCC)C=C,2.4899576118414
O=C1N2N(C(=O)C3=C(C2)C=CC=C3)CC2=C1C=CC=C2,2.48504605436068
O=P(OCCCl)(OCCCl)OCCCl,2.46926560232152
CCNC(=O)NC1=NC=C(S1)N(=O)=O,2.4552244479397
OC(=O)C(Cl)(Cl)Cl,2.44680252505373
O=C1OC(C2=C1C=CC=C2)(C1=CC=C(O)C=C1)C1=CC=C(O)C=C1,2.43468188450778
OC(=O)C1=CC=C(NN)C=C1,2.43331109350203
OS(=O)(=O)NC1CCCCC1,2.4293052245432
O=C(C)NC1=CC=C(NN=C2C(=O)C=CC(=C2)C)C=C1,2.42163392389298
NC1=CC(=C(N)C=C1)N(=O)=O,2.39691686848615
CC(=C)C=C,2.39550507726487
O=P(OCCCC)(OCCCC)OCCCC,2.37617613809879
NC1=CC(=C(N)C(Cl)=C1)Cl,2.34333304133432
O=C1C(=COC(=C1)CO)O,2.3343969122031
O=C1OC2=C(CC1)C=CC=C2,2.31158856826939
BrCC,2.30893363973199
NC1=C(C)C=CC(=C1)C,2.28685553978499
ClC(Cl)(Cl)SN1C(=O)C2=C(C1=O)C=CC=C2,2.28177750662495
NC1=CC=C2C(=C1)C(=O)C1=C(C2=O)C=CC=C1,2.27319937221265
OC1=C(Cl)C=C(Cl)C=C1Cl,2.26606346245148
NC1=CC=C(S(=O)(=O)NC2=NC(=CC(=N2)C)C)C=C1,2.26558510076895
O=C1NC(=O)N(N=CC2=CC=C(O2)N(=O)=O)C1,2.23073568001612
O=P(OCC(CCCC)CC)(OCC(CCCC)CC)OCC(CCCC)CC,2.22988283214426
ON=C(C)CC,2.21257860372047
ClC1=CC(=C(O)C=C1)CC1=CC=CC=C1,2.20947231774172
COC1=C(N)C=C(N)C=C1,2.18327675889471
NC1=C(C2=CC=CC=C2)C=CC=C1,2.17924008411906
NC1=C(N)C=CC=C1,2.16770384537574
ClC(Cl)(Cl)SN1C(=O)C2C(C1=O)CC=CC2,2.15369120624037
O=CNNC=O,2.12002904682204
CN(=O)=O,2.1144421091265
NC1=C(OC)C=CC=C1,2.10546610604208
ClC1=C(N)C=C(N)C=C1,2.06417177437638
ClC1=CC=C(N)C(=C1)N,2.02697208745097
CC1=NC=CN1,2.02115713967138
O=C(C)NC1=CC=C(OCC)C(=C1)N(=O)=O,1.99463570723065
O=C(OCC=CC1=CC=CC=C1)C1=C(N)C=CC=C1,1.99200828267475
O=C(OCC(CCCC)CC)CCCCC(=O)OCC(CCCC)CC,1.98003443001806
OC1=CC=C(NC(=O)C)C=C1,1.9699293386411
ClCC(=C)C,1.95689368245942
O=C(C)NC1=CC=C(OCC)C=C1,1.9229625218783
OCC(CCCC)CC,1.88939475563995
ClCCl,1.88767856365338
NC1=CC(C)=CC=C1,1.8716422478502
OC(=O)CN(CC(=O)O)CC(=O)O,1.85646721847991
O=CC1=CC=CC=C1,1.85261874854944
OC(C)COC(C)(C)C,1.8493921481996
CCC1=CC=CC=C1,1.8218613814325
CC1OC1,1.80402533864703
O=C(N)CCCCC,1.77131833050016
O1CCCC1,1.74402636547642
NC1=C(OC)C=CC(=C1)N(=O)=O,1.65515419004669
O=C1NC(=O)NC=C1,1.61022177670668
OC(=O)C1=C(Cl)C(N)=CC(=C1)Cl,1.59541928792862
O=C(O)C=CC1=CC=C(O)C(=C1)O,1.56545602552617
ClCC,1.55197404864673
OC1=CC=C2C(=C1)OCO2,1.4880124296976
O=C1C2=CC=C3C4=C(C(=O)C5=CC=C(C2=C35)C2=C1C=CC=C2)C=CC=C4,1.48417036123243
OC1=CC=C(OC)C=C1,1.35117681404415
O=C(C)OC=C,1.3416628068415
COC(C)(C)C,1.12897204983565
CC1=CC(=C(NN=C2C(=O)C=CC3=C2C=CC=C3)C=C1)N(=O)=O,0.93733929490378
OC(=O)CCCC1=CC=C(N(CCCl)CCCl)C=C1,6.35932412930196
ClC1C2C(C3(Cl)C(Cl)(Cl)C2(Cl)C(=C3Cl)Cl)C=C1,5.48929076815622
CC=C1C(=O)OC2C3N(CC2)CC=C3COC(=O)C(O)(CO)C(=C)C1,5.24882982545618
O=C1C2(O)C(C3(O)C(C)C(O)C4(O)C(C3C=C(C2)CO)C4(C)C)C=C1C,5.21722506495724
C=C1C2(Cl)C(Cl)(Cl)C(Cl)(C1(CCl)CCl)C(Cl)C2Cl,4.65611412744441
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,4.64277837658966
O=CN(C)N=CC,4.60084364924966
CC(=O)NC1=NN=C(S1)C1=CC=C(O1)N(=O)=O,4.57655630949709
CCC1C(=O)NC(C(=O)NC(C2=CC=CC=C2)CC(=O)NC(C(=O)N2CC(Cl)C(Cl)C2C(=O)N1)CO)CO,4.38481637686251
C1=C(OCC2OC2)C=CC=C1OCC1OC1,3.96121048308802
NC1=NC2=C(C3=CC=CC=C3N2)C=C1C,3.94863321188695
NC1=C(C)C=C(C=C1)C1=CC=C(N)C(=C1)C,3.87056411764216
CC1=C(C=C(N(=O)=O)C=C1)N(=O)=O,3.79204274140427
NC1=CC=C(CC2=CC=C(N)C=C2)C=C1,3.78669819652114
O=CN(N)CCCC,3.7795056501955
O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr,3.73640322582036
N=C(C1=CC=C(N(C)C)C=C1)C1=CC=C(N(C)C)C=C1,3.62984334846814
O=C(OC)C1=CCCN(C)C1,3.59427895059354
OC(C=C)C1=CC=C(OC)C=C1,3.45344822375589
S=C(N)C1=CC=NC(=C1)CC,3.38001405148867
BrCCO,3.21540199908708
NC1=CC=C(C)C=C1,3.10831826446185
O=C1NC2C(C)(C3C(C4C(C)(C(C(=O)NC(C)(C)C)CC4)CC3)CC2)C=C1,3.05796032292675
ClC(=C(Cl)Cl)Cl,3.02101177535483
N1C2=CC=CC=C2C2=C1C=CC=C2,3.00840956792019
CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1,2.94130361210975
NC1=C(Cl)C=C(Cl)C=C1Cl,2.87997614410592
O=C(N)NC1=CC=C(C)C=C1,2.86273880674491
O=CC=CC=CC,2.73733326308791
OC1=C(C=C(C)C=C1C(C)(C)C)C(C)(C)C,2.52820085903487
OC(=O)CCC(=O)NN(C)C,2.19174720461171
NC1=C(C)C=CC=C1,2.10572545388357
O=C(C)OCC1=CC=CC=C1,2.01823370256042
O=C(C)NC1=CC=C(OCC)C(N)=C1,1.97234685910063
OCCOCCCC,1.83952656056366
O=C1N(C)CCC1,1.68445606426188
OC(C)CC(=O)NC1=CC=C(OCC)C=C1,1.60610193429979
O=C(N)OCC(C1=CC=CC=C1)COC(=O)N,1.50661059283619
O=C(N)C,1.29278018271655
OC(C)(C)C,0.529500670653898