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delaney

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delaney
File size: 113,214 Bytes 
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smiles,selfies,target
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C=CCCC,[C][=C][C][C][C],0.09042127623869618
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CC(C)Cl,[C][C][Branch1][C][C][Cl],0.7049203257425969
CCC(C)CO,[C][C][C][Branch1][C][C][C][O],1.1597463938793422
CCCCCCCCCC(C)O,[C][C][C][C][C][C][C][C][C][C][Branch1][C][C][O],-0.0353816787778503
CCOP(=S)(OCC)SCSCC,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][S][C][S][C][C],-0.6014949763523101
CCCCCCCO,[C][C][C][C][C][C][C][O],0.5113773180248329
CCCCCCCC(=O)OC,[C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C],-0.14666890821556458
CCOP(=S)(OCC)SCSC(C)(C)C,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][S][C][S][C][Branch1][C][C][Branch1][C][C][C],-0.9135830762972043
C=C(Cl)Cl,[C][=C][Branch1][C][Cl][Cl],0.5936330963048826
CCCCC=O,[C][C][C][C][C][=O],0.9758805365474663
CCCCCCCI,[C][C][C][C][C][C][C][I],-0.9401952398583967
C=CCCCO,[C][=C][C][C][C][O],1.3145808000535535
CC(C)OC=O,[C][C][Branch1][C][C][O][C][=O],1.0823291907922366
CCCCCC(C)O,[C][C][C][C][C][C][Branch1][C][C][O],0.6371802730413795
C#CCCCCCC,[C][#C][C][C][C][C][C][C],-0.38375909266982555
CC(C)CCC(C)(C)C,[C][C][Branch1][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C],-1.0563210444890552
CCCC(C)=O,[C][C][C][C][Branch1][C][C][=O],1.295226499281777
CCCOC(=O)CC,[C][C][C][O][C][=Branch1][C][=O][C][C],0.9903962621262988
CCC(Br)(CC)C(=O)NC(N)=O,[C][C][C][Branch1][C][Br][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][N][=O],0.09042127623869618
CCCCC(=O)OCC,[C][C][C][C][C][=Branch1][C][=O][O][C][C],0.2984800095352925
CC(=O)OCCC(C)C,[C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C],0.4581529909024478
CCCBr,[C][C][C][Br],0.5500859195683857
COP(=S)(OC)SCC(=O)N(C)C=O,[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=O],0.421863676955367
NC(N)=S,[N][C][Branch1][C][N][=S],1.541993834121926
ClC(Cl)(Cl)C(Cl)(Cl)Cl,[Cl][C][Branch1][C][Cl][Branch1][C][Cl][C][Branch1][C][Cl][Branch1][C][Cl][Cl],-0.38859766786276956
CCC[N+](=O)[O-],[C][C][C][N+1][=Branch1][C][=O][O-1],1.0000734125121868
CCCOC(C)C,[C][C][C][O][C][Branch1][C][C][C],0.7387903520932055
ClCCl,[Cl][C][Cl],1.0823291907922366
COC=O,[C][O][C][=O],1.6677967891384726
CC(C)C,[C][C][Branch1][C][C][C],0.15332275374696963
CCCCC,[C][C][C][C][C],-0.15150748340850878
C=C(C)CCC,[C][=C][Branch1][C][C][C][C][C],-0.07892885551434713
CC(C)C(C)C(C)C,[C][C][Branch1][C][C][C][Branch1][C][C][C][Branch1][C][C][C],-0.9353566646654526
C=CCCCCCCCC,[C][=C][C][C][C][C][C][C][C][C],-1.2788955033644838
CC(=O)OCC(COC(C)=O)OC(C)=O,[C][C][=Branch1][C][=O][O][C][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O],1.096844916371069
CCCCCCCBr,[C][C][C][C][C][C][C][Br],-0.7563293825265209
CCOC(=O)CC(=O)OCC,[C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][C],0.9903962621262988
C/C=C/CC,[C][/C][=C][/C][C],0.15816132893991364
ClC=C(Cl)Cl,[Cl][C][=C][Branch1][C][Cl][Cl],0.4387986901306714
CO,[C][O],2.1468157332399382
CCC(C)=O,[C][C][C][Branch1][C][C][=O],1.638765337980808
CCCCCCO,[C][C][C][C][C][C][O],0.7871761040226466
CCCCCCl,[C][C][C][C][C][Cl],0.06622840027397577
C=CC=C,[C][=C][C][=C],0.48234586686716824
CCCOC(C)=O,[C][C][C][O][C][Branch1][C][C][=O],1.0387820140557396
NC(=O)CCl,[N][C][=Branch1][C][=O][C][Cl],1.3774822775618267
CCCCCC=O,[C][C][C][C][C][C][=O],0.7581446528649819
CC(C)=CCC/C(C)=C\CO,[C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][\C][O],0.19686993048346646
CC[N+](=O)[O-],[C][C][N+1][=Branch1][C][=O][O-1],1.2807107737029446
CCCC(C)(COC(N)=O)COC(N)=O,[C][C][C][C][Branch1][C][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][C][O][C][Branch1][C][N][=O],0.5128288905827162
CI,[C][I],0.903301908653305
CCCCC(=O)CCCC,[C][C][C][C][C][=Branch1][C][=O][C][C][C][C],0.13880702816813723
CCC(C)CC,[C][C][C][Branch1][C][C][C][C],-0.39343624305571373
N#CCCl,[N][#C][C][Cl],1.3426445361726291
CCCCCCCCC(=O)OCC,[C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C],-0.45149914537104274
CCC(C)Cl,[C][C][C][Branch1][C][C][Cl],0.4387986901306714
C#CCCCC,[C][#C][C][C][C][C],0.2452556824129075
C#CCCCCCCC,[C][#C][C][C][C][C][C][C][C],-0.6643964538605833
CC(C)OC(C)C,[C][C][Branch1][C][C][O][C][Branch1][C][C][C],0.8549161567238639
CNN,[C][N][N],2.035528503802224
C#CC,[C][#C][C],1.1887778450370068
CCNP(=S)(OC)OC(C)=CC(=O)OC(C)C,[C][C][N][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][C],-0.26182699780763413
C=CC=O,[C][=C][C][=O],1.6629582139455283
CCCCl,[C][C][C][Cl],0.6758888745849323
CCOC(C)=O,[C][C][O][C][Branch1][C][C][=O],1.3678051271759384
CCCC(C)(C)C,[C][C][C][C][Branch1][C][C][Branch1][C][C][C],-0.7224593561759126
CCCCOC(=O)CCCCCCCCC(=O)OCCCC,[C][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C][C],-0.4979494672233062
C=CC(=C)C,[C][=C][C][=Branch1][C][=C][C],0.4049286637800628
C=CC(C)(O)CCC=C(C)C,[C][=C][C][Branch1][C][C][Branch1][C][O][C][C][C][=C][Branch1][C][C][C],0.4242829645518391
OCC(O)C(O)C(O)C(O)CO,[O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][O],1.4161908791053794
CCCC(=O)CCC,[C][C][C][C][=Branch1][C][=O][C][C][C],0.7581446528649819
CC(=O)C(C)(C)C,[C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C],1.0387820140557396
N#CC(Cl)(Cl)Cl,[N][#C][C][Branch1][C][Cl][Branch1][C][Cl][Cl],0.33815632611743407
CCCCCCCCC(C)=O,[C][C][C][C][C][C][C][C][C][Branch1][C][C][=O],-0.20957038572383782
CSC,[C][S][C],1.1694235442652303
CCOC(N)=O,[C][C][O][C][Branch1][C][N][=O],1.7984383193479634
CC(C)C(O)C(C)C,[C][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][C][C],0.7968532544085347
CCCCBr,[C][C][C][C][Br],0.2404171072199633
CC(=O)CC(C)C,[C][C][=Branch1][C][=O][C][C][Branch1][C][C][C],1.0291048636698517
OCC(O)C(O)C(O)C(O)CO,[O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][O],1.9145641239786217
CCS,[C][C][S],1.096844916371069
ClCC(Cl)Cl,[Cl][C][C][Branch1][C][Cl][Cl],0.6710502993919881
CCCCCCCCl,[C][C][C][C][C][C][C][Cl],-0.5482706492299249
ClC(Cl)C(Cl)Cl,[Cl][C][Branch1][C][Cl][C][Branch1][C][Cl][Cl],0.5452473443754415
CCN(CC)C(=O)C(Cl)=CCOP(=O)(OC)OC,[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C],1.6402169105386912
CCCCCCCl,[C][C][C][C][C][C][Cl],-0.12247603225084416
CCCCCCCCCCCCCCCCCCCCCCCCCC,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C],-2.6453091378518976
CC(Cl)Cl,[C][C][Branch1][C][Cl][Cl],0.7629832280579261
ClC(Cl)(Cl)Cl,[Cl][C][Branch1][C][Cl][Branch1][C][Cl][Cl],0.2694485583776279
COC(C)(C)C,[C][O][C][Branch1][C][C][Branch1][C][C][C],1.2710336233170565
CCCCCCCCCCCCCCCCO,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O],-1.9998432071131549
CCC(C)(C)CO,[C][C][C][Branch1][C][C][Branch1][C][C][C][O],0.8839476078815285
CCCOC(=O)CCC,[C][C][C][O][C][=Branch1][C][=O][C][C][C],0.5404087691824975
CCCOC=O,[C][C][C][O][C][=O],1.150069243493454
CC(C)CC(C)C,[C][C][Branch1][C][C][C][C][Branch1][C][C][C],-0.6740736042464713
CCCCCCCCCC(=O)OCC,[C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C],-0.5966564011593657
CCCOCC,[C][C][C][O][C][C],1.0678134652134041
CC(C)O,[C][C][Branch1][C][C][O],1.5952181612443113
ClC(Br)Br,[Cl][C][Branch1][C][Br][Br],0.46783014128833605
CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,[C][C][O][C][=Branch1][C][=O][C][C][Branch1][N][S][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][C][=Branch1][C][=O][O][C][C],-0.24344041207444664
C/C=C/C=O,[C][/C][=C][/C][=O],1.541993834121926
CCCCCC(=O)OC,[C][C][C][C][C][C][=Branch1][C][=O][O][C],0.48234586686716824
CCC(=O)OC,[C][C][C][=Branch1][C][=O][O][C],1.3194193752464973
CCCC(=O)OC,[C][C][C][C][=Branch1][C][=O][O][C],0.4581529909024478
CCCCCC(=O)OCC,[C][C][C][C][C][C][=Branch1][C][=O][O][C][C],0.25009425760585147
C=CCCCCCC,[C][=C][C][C][C][C][C][C],-0.7611679577194654
CCCC(O)CC,[C][C][C][C][Branch1][C][O][C][C],1.0000734125121868
CCCCCCCC(C)O,[C][C][C][C][C][C][C][C][Branch1][C][C][O],0.06138982508103156
CCCC(=O)CC,[C][C][C][C][=Branch1][C][=O][C][C],0.9855576869333545
ClCBr,[Cl][C][Br],0.95652623577569
CCN(CC)C(=S)SSC(=S)N(CC)CC,[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=S][S][S][C][=Branch1][C][=S][N][Branch1][Ring1][C][C][C][C],-0.9643881158231176
CCCCCCCCO,[C][C][C][C][C][C][C][C][O],0.23073995683407508
CCSCC,[C][C][S][C][C],0.7387903520932055
ClCCCl,[Cl][C][C][Cl],0.8742704574956403
CCC(C)(C)Cl,[C][C][C][Branch1][C][C][Branch1][C][C][Cl],0.17267705451874604
ClCCBr,[Cl][C][C][Br],0.7484675024790938
C=CCCCCCCC,[C][=C][C][C][C][C][C][C][C],-1.0563210444890552
CCC(C)(O)CC,[C][C][C][Branch1][C][C][Branch1][C][O][C][C],1.2129707210017273
CCCCC(C)O,[C][C][C][C][C][Branch1][C][C][O],0.95652623577569
CCCCCO,[C][C][C][C][C][O],1.096844916371069
N#CCCCl,[N][#C][C][C][Cl],1.246840747352336
CC(C)C(C)O,[C][C][Branch1][C][C][C][Branch1][C][C][O],1.300065074474721
CCCCCCCCCC(=O)OC,[C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C],-0.8821323375430679
CC(C)CBr,[C][C][Branch1][C][C][C][Br],0.21138565606229867
CCI,[C][C][I],0.612987397076659
CCCCCCBr,[C][C][C][C][C][C][Br],-0.45633772056398697
CCCC(C)C,[C][C][C][C][Branch1][C][C][C],-0.4224676942133784
BrC(Br)Br,[Br][C][Branch1][C][Br][Br],0.46299156609539194
COP(=O)(OC)C(O)C(Cl)(Cl)Cl,[C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl],1.2807107737029446
CC(C)Br,[C][C][Branch1][C][C][Br],0.617825972269603
CC(C)CC(C)(C)C,[C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C],-0.9063252135077883
CCC,[C][C][C],0.44847584051655964
C=COCC,[C][=C][O][C][C],0.9758805365474663
C#CCC,[C][#C][C][C],0.7871761040226466
CCCCC(C)(O)CC,[C][C][C][C][C][Branch1][C][C][Branch1][C][O][C][C],0.612987397076659
CC#N,[C][C][#N],1.5129623829642616
ClCC(Cl)(Cl)Cl,[Cl][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl],0.3323500358859011
CCCCO,[C][C][C][C][O],1.3871594279477149
CC(C)CCO,[C][C][Branch1][C][C][C][C][O],1.1403920931075657
C=C(C)C,[C][=C][Branch1][C][C][C],0.2597714079917397
C=C(C)C(=C)C,[C][=C][Branch1][C][C][C][=Branch1][C][=C][C],0.22590138164113108
CCCI,[C][C][C][I],0.2791257087635161
CCCO,[C][C][C][O],1.687151089910249
CCCC(C)O,[C][C][C][C][Branch1][C][C][O],1.246840747352336
ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl,[Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][Cl],-0.9934195669807819
CCC(C)CCO,[C][C][C][Branch1][C][C][C][C][O],1.0436205892486838
CCCCI,[C][C][C][C][I],-0.045058829163738504
CCCCCCCC(=O)OCC,[C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C],-0.25311756246033484
CCSSCC,[C][C][S][S][C][C],0.21622423125524287
CCOCCOCC,[C][C][O][C][C][O][C][C],1.0145891380910192
C=CCCCCC,[C][=C][C][C][C][C][C],-0.41762911902043415
CCCCN(CC)C(=O)SCCC,[C][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][S][C][C][C],-0.3208576151615521
CCCCOC=O,[C][C][C][C][O][C][=O],0.7242746265143732
ClC(Cl)Br,[Cl][C][Branch1][C][Cl][Br],0.6420188482343235
CBr,[C][Br],1.004911987705131
C=CC(C)C,[C][=C][C][Branch1][C][C][C],0.06622840027397577
CC,[C][C],0.7291132017073173
CC(N)=O,[C][C][Branch1][C][N][=O],2.1516543084328825
CC(O)C(C)(C)C,[C][C][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C],1.0871677659851806
CCCC(=O)OCC,[C][C][C][C][=Branch1][C][=O][O][C][C],0.7291132017073173
CCCCCCCCCO,[C][C][C][C][C][C][C][C][C][O],-0.06925170512845892
BrCBr,[Br][C][Br],0.8210461303732552
CCSC(=O)N(CC(C)C)CC(C)C,[C][C][S][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][C],-0.39343624305571373
O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-],[O][=N+1][Branch1][C][O-1][O][C][C][Branch1][Branch2][C][O][N+1][=Branch1][C][=O][O-1][O][N+1][=Branch1][C][=O][O-1],0.3129957351141247
CCCCCl,[C][C][C][C][Cl],0.4049286637800628
CCNC(=S)NCC,[C][C][N][C][=Branch1][C][=S][N][C][C],0.6807274497778764
CCCCC(=O)OC,[C][C][C][C][C][=Branch1][C][=O][O][C],0.7387903520932055
CCCCCOC(=O)CC,[C][C][C][C][C][O][C][=Branch1][C][=O][C][C],0.7678218032508701
CCBr,[C][C][Br],0.859754731916808
CCC#CCC,[C][C][C][#C][C][C],0.4242829645518391
C=C(C)CC,[C][=C][Branch1][C][C][C][C],0.06622840027397577
CCOC(C)OCC,[C][C][O][C][Branch1][C][C][O][C][C],1.1791006946511184
CCCCOCCO,[C][C][C][C][O][C][C][O],1.1839392698440627
ClCCCCl,[Cl][C][C][C][Cl],0.6033102466907707
CC(C)C(C)C,[C][C][Branch1][C][C][C][Branch1][C][C][C],-0.3789205174768813
C=CCC,[C][=C][C][C],0.44847584051655964
FC(F)(Cl)C(F)(Cl)Cl,[F][C][Branch1][C][F][Branch1][C][Cl][C][Branch1][C][F][Branch1][C][Cl][Cl],-0.08376743070729133
CCC#N,[C][C][C][#N],1.5226395333501495
OCC(O)CO,[O][C][C][Branch1][C][O][C][O],1.929079849557454
CCCCOC,[C][C][C][C][O][C],0.908140483846249
CC(=O)N(C)C,[C][C][=Branch1][C][=O][N][Branch1][C][C][C],1.9242412743645099
C=C,[C][=C],1.1936164202299508
CC(C)(C)CCO,[C][C][Branch1][C][C][Branch1][C][C][C][C][O],1.1452306683005098
CC(C)SC(C)C,[C][C][Branch1][C][C][S][C][Branch1][C][C][C],0.30331858472823653
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][S][C][S][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][C],-1.2934112289433162
CCCC(C)(C)CO,[C][C][C][C][Branch1][C][C][Branch1][C][C][C][O],0.6516959986202118
CCCOC,[C][C][C][O][C],1.198454995422895
CC(=O)OC(C)C,[C][C][=Branch1][C][=O][O][C][Branch1][C][C][C],1.1210377923357893
C=CCl,[C][=C][Cl],0.5404087691824975
BrC(Br)(Br)Br,[Br][C][Branch1][C][Br][Branch1][C][Br][Br],-0.13215318263673237
CCCCCCCCC,[C][C][C][C][C][C][C][C][C],-1.4579227855034154
CCCCCC(C)C,[C][C][C][C][C][C][Branch1][C][C][C],-1.0708367700678876
CCC(O)C(C)C,[C][C][C][Branch1][C][O][C][Branch1][C][C][C],1.0484591644416281
CCCCCCC,[C][C][C][C][C][C][C],-0.8047151344559622
CCCCCC(C)=O,[C][C][C][C][C][C][Branch1][C][C][=O],0.6855660249708205
COP(=O)(NC(C)=O)SC,[C][O][P][=Branch1][C][=O][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C],1.6484424883666962
CCCCSP(=O)(SCCCC)SCCCC,[C][C][C][C][S][P][=Branch1][C][=O][Branch1][=Branch1][S][C][C][C][C][S][C][C][C][C],-1.099868221225552
CC=C(C)C,[C][C][=C][Branch1][C][C][C],0.14848417855402543
CCCC(C)(O)CC,[C][C][C][C][Branch1][C][C][Branch1][C][O][C][C],0.9129790590391931
CCCCCCCC,[C][C][C][C][C][C][C][C],-1.1482539731549932
CCC=O,[C][C][C][=O],1.6677967891384726
ClC(Cl)Cl,[Cl][C][Branch1][C][Cl][Cl],0.8210461303732552
CCCCC(C=O)CC,[C][C][C][C][C][Branch1][Ring1][C][=O][C][C],0.35654291185062176
CCC(C=O)CC,[C][C][C][Branch1][Ring1][C][=O][C][C],0.6516959986202118
CCCOCCC,[C][C][C][O][C][C][C],0.6033102466907707
CCCCCCCCCCCCCCO,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][O],-1.4385684847316391
NC(N)=O,[N][C][Branch1][C][N][=O],1.8516626464703483
C#CCCC,[C][#C][C][C][C],0.5936330963048826
CCCCCCCCCCCCCCCCCCO,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O],-2.677243734125329
CC(C)CCOC=O,[C][C][Branch1][C][C][C][C][O][C][=O],0.6516959986202118
CCOP(=O)(OCC)OCC,[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][O][C][C],1.5952181612443113
CC(C)[N+](=O)[O-],[C][C][Branch1][C][C][N+1][=Branch1][C][=O][O-1],1.0871677659851806
OCC(O)C(O)CO,[O][C][C][Branch1][C][O][C][Branch1][C][O][C][O],1.7258596914538016
CNC(=O)C=C(C)OP(=O)(OC)OC,[C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C],1.7021506730083755
CCC(C)C(C)C,[C][C][C][Branch1][C][C][C][Branch1][C][C][C],-0.6837507546323598
C#CCCCCC,[C][#C][C][C][C][C][C],-0.06925170512845892
CC(C)CCl,[C][C][Branch1][C][C][C][Cl],0.419444389358895
CCCCCCCCCCCC(=O)OC,[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C],-0.8821323375430679
CCCSCCC,[C][C][C][S][C][C][C],0.13880702816813723
CCCCCBr,[C][C][C][C][C][Br],-0.10312173147906775
C/C=C/CCCC,[C][/C][=C][/C][C][C][C],-0.461176295756931
CC(Cl)(Cl)Cl,[C][C][Branch1][C][Cl][Branch1][C][Cl][Cl],0.419444389358895
CCOCC,[C][C][O][C][C],1.343612251211218
COCOC,[C][O][C][O][C],1.6194110372090316
CCC(C)O,[C][C][C][Branch1][C][C][O],1.6145724620160875
C=CCSS(=O)CC=C,[C][=C][C][S][S][=Branch1][C][=O][C][C][=C],0.9855576869333545
CC(C)COC=O,[C][C][Branch1][C][C][C][O][C][=O],0.8984633334603608
CCCCCC,[C][C][C][C][C][C],-0.4708534461428192
COP(=O)(OC)OC(Br)C(Cl)(Cl)Br,[C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C][Branch1][C][Br][C][Branch1][C][Cl][Branch1][C][Cl][Br],0.28396428395646034
CC(C)CC(C)(C)O,[C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][O],0.9420105101968578
CCC(C)(C)C,[C][C][C][Branch1][C][C][Branch1][C][C][C],-0.33053476554744027
C=CCC=C,[C][=C][C][C][=C],0.37589721262239817
CCCCCC(O)CC,[C][C][C][C][C][C][Branch1][C][O][C][C],0.42912153974478323
CCCC(C)CO,[C][C][C][C][Branch1][C][C][C][O],0.8500775815309198
CCCCC(C)(C)O,[C][C][C][C][C][Branch1][C][C][Branch1][C][C][O],0.8645933071097521
COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C,[C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][C],-1.124061097190273
CCOC(=O)CC,[C][C][O][C][=Branch1][C][=O][C][C],1.0678134652134041
N#CN=C(N)N,[N][#C][N][=C][Branch1][C][N][N],1.2371635969664478
O=[N+]([O-])C(Cl)(Cl)Cl,[O][=N+1][Branch1][C][O-1][C][Branch1][C][Cl][Branch1][C][Cl][Cl],0.419444389358895
CCCCCCC(=O)OCC,[C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C],0.06138982508103156
COC(C)=O,[C][O][C][Branch1][C][C][=O],1.6097338868231434
C=CC(O)CCC,[C][=C][C][Branch1][C][O][C][C][C],1.101683491564013
CCCCOCCCC,[C][C][C][C][O][C][C][C][C],0.49202301725305647
CCCCCCCCCCCCO,[C][C][C][C][C][C][C][C][C][C][C][C][O],-0.9353566646654526
CCCC(C)(C)O,[C][C][C][C][Branch1][C][C][Branch1][C][C][O],1.150069243493454
CCCCCC(C)(C)O,[C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][O],0.5549244947613298
C,[C],0.951687660582746
CCC(C)C(C)=O,[C][C][C][Branch1][C][C][C][Branch1][C][C][=O],1.0629748900204603
C[N+](=O)[O-],[C][N+1][=Branch1][C][=O][O-1],1.5129623829642616
CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C,[C][C][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][S][C][C][Branch1][C][Cl][=C][Branch1][C][Cl][Cl][C][Branch1][C][C][C],-0.9740652662090055
C=CCCC=C,[C][=C][C][C][C][=C],0.09042127623869618
C=CCCCC,[C][=C][C][C][C][C],-0.1757003593732292
CCCCCCCC(C)=O,[C][C][C][C][C][C][C][C][Branch1][C][C][=O],0.13880702816813723
C#C,[C][#C],1.5274781085430937
CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC,[C][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][S][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][C],0.16880619436439076
CC(Cl)CCl,[C][C][Branch1][C][Cl][C][Cl],0.612987397076659
CCCC=C(C=O)CC,[C][C][C][C][=C][Branch1][Ring1][C][=O][C][C],0.19686993048346646
CCOP(=S)(OCC)SCCSCC,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][S][C][C][S][C][C],-0.6595578786676394
CCCCCCCCCCCCCCCO,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O],-1.685335819571788
CC(C)I,[C][C][Branch1][C][C][I],0.37589721262239817
CC(=O)C(C)C,[C][C][=Branch1][C][=O][C][Branch1][C][C][C],1.3290965256323857
CCCCCCCCCCCCCCCC,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C],-2.677243734125329
CCCCCCC(C)=O,[C][C][C][C][C][C][C][Branch1][C][C][=O],0.3952515133941746
CCCCCCCCC(=O)OC,[C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C],-0.24827898726739064
CCO,[C][C][O],1.9194026991715658
CCCCCCCCBr,[C][C][C][C][C][C][C][C][Br],-1.0611596196819992
CCC(O)CC,[C][C][C][Branch1][C][O][C][C],1.2710336233170565
CC(C)CCCO,[C][C][Branch1][C][C][C][C][C][O],0.8355618559520875
CCC(C)(C)O,[C][C][C][Branch1][C][C][Branch1][C][C][O],1.4597380558418762
CCOC=O,[C][C][O][C][=O],1.4597380558418762
CCCCS,[C][C][C][C][S],0.3323500358859011
ClC(Cl)=C(Cl)Cl,[Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][Cl],0.15816132893991364
CCC(=O)CC,[C][C][C][=Branch1][C][=O][C][C],1.2516793225452802
C=CC#N,[C][=C][C][#N],1.4597380558418762
CCCCC(C)=O,[C][C][C][C][C][Branch1][C][C][=O],1.0000734125121868
CCCCC(C)CC,[C][C][C][C][C][Branch1][C][C][C][C],-1.1095453716114405
BrCCBr,[Br][C][C][Br],0.5742787955331062
C=CC(=O)OC,[C][=C][C][=Branch1][C][=O][O][C],1.2807107737029446
CCC(O)(CC)CC,[C][C][C][Branch1][C][O][Branch1][Ring1][C][C][C][C],0.9758805365474663
CC(C)C(=O)C(C)C,[C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C],0.7581446528649819
CSSC,[C][S][S][C],0.6904046001637646
CCCCC(O)CC,[C][C][C][C][C][Branch1][C][O][C][C],0.6758888745849323
CCCCC(CC)CO,[C][C][C][C][C][Branch1][Ring1][C][C][C][O],0.36622006223651
CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C,[C][C][Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][S][C][C][Branch1][C][Cl][=C][Cl][C][Branch1][C][C][C],-0.6866538997481263
CN(C)C(=S)SSC(=S)N(C)C,[C][N][Branch1][C][C][C][=Branch1][C][=S][S][S][C][=Branch1][C][=S][N][Branch1][C][C][C],-0.4998848973004838
CCCCCCCCCCO,[C][C][C][C][C][C][C][C][C][C][O],-0.3692433670909931
CCC(C)(C)CC,[C][C][C][Branch1][C][C][Branch1][C][C][C][C],-0.6595578786676394
CNC(=O)C(C)SCCSP(=O)(OC)OC,[C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][C][S][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C],1.9406924300205197
CCCC=O,[C][C][C][C][=O],1.3823208527547708
CCCC,[C][C][C][C],0.14364560336108143
ClC(Cl)C(Cl)(Cl)Cl,[Cl][C][Branch1][C][Cl][C][Branch1][C][Cl][Branch1][C][Cl][Cl],0.12912987778224902
CC(C)CO,[C][C][Branch1][C][C][C][O],1.435545179877156
ICI,[I][C][I],0.2549328327987957
CCCC(O)CCC,[C][C][C][C][Branch1][C][O][C][C][C],0.709758900935541
CCCCCOC(C)=O,[C][C][C][C][C][O][C][Branch1][C][C][=O],0.4726687164812801
FC(F)(Cl)C(F)(F)Cl,[F][C][Branch1][C][F][Branch1][C][Cl][C][Branch1][C][F][Branch1][C][F][Cl],0.06138982508103156
CC=CC=O,[C][C][=C][C][=O],1.541993834121926
CN(C)C(=O)N(C)C,[C][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C],1.8419854960844602
C=C(Cl)CSC(=S)N(CC)CC,[C][=C][Branch1][C][Cl][C][S][C][=Branch1][C][=S][N][Branch1][Ring1][C][C][C][C],-0.25311756246033484
CCCl,[C][C][Cl],0.8742704574956403
C/C=C\CC,[C][/C][=C][\C][C],0.15816132893991364
CNC(=O)ON=C(CSC)C(C)(C)C,[C][N][C][=Branch1][C][=O][O][N][=C][Branch1][Ring2][C][S][C][C][Branch1][C][C][Branch1][C][C][C],0.6033102466907707
CCCCCCCCCCCCCCCCCCCC,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C],-2.5669242197262037
CCC(CC)CO,[C][C][C][Branch1][Ring1][C][C][C][O],0.8210461303732552
Cl/C=C\Cl,[Cl][/C][=C][\Cl],0.7581446528649819
CC(C)CC(C)O,[C][C][Branch1][C][C][C][C][Branch1][C][C][O],1.0000734125121868
CC(C)(C)CO,[C][C][Branch1][C][C][Branch1][C][C][C][O],1.1936164202299508
C=CC,[C][=C][C],0.8645933071097521
CCCCCCC(C)O,[C][C][C][C][C][C][C][Branch1][C][C][O],0.37589721262239817
CC(=O)OCC(C)C,[C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C],0.8016918296014789
CC(C)C(C)(C)C,[C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C],-0.7224593561759126
FC(F)(F)C(Cl)Br,[F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][Cl][Br],0.5597630699542739
CNC(=O)ON=C(SC)C(=O)N(C)C,[C][N][C][=Branch1][C][=O][O][N][=C][Branch1][Ring1][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C],1.4384483249929223
CCSCCSP(=S)(OC)OC,[C][C][S][C][C][S][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C],-0.10844416419130631
CCC(C)C,[C][C][C][Branch1][C][C][C],-0.15150748340850878
N#Cc1ccccc1,[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1],0.903301908653305
CCOc1ccc(NC(C)=O)cc1,[C][C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2],0.25009425760585147
CCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-],[C][C][N][Branch1][Ring1][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][N][=C][Ring1][=C][N+1][=Branch1][C][=O][O-1],-1.2595412025927073
CCc1ccc(CC)cc1,[C][C][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2],-0.4273062694063224
CN(C)C(=O)SCCCCOc1ccccc1,[C][N][Branch1][C][C][C][=Branch1][C][=O][S][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.5129490503214329
CC(=O)Nc1ccc(Br)cc1,[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],-0.10457330403695103
Cc1ccccc1O,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O],1.0871677659851806
Nc1ccc(O)cc1,[N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],1.0000734125121868
Cc1ccc(C)cc1,[C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1],0.046874099502199354
CCc1ccccc1CC,[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C],-0.19989323533794962
O=[N+]([O-])c1cccc(Cl)c1Cl,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl],-0.2966647391968317
N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl,[N][#C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][Ring1][C][#N][=C][Ring1][O][Cl],-1.341796980872757
CC(C)c1ccccc1,[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.1950546601450056
O=[N+]([O-])c1ccccc1O,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][O],0.5452473443754415
N#Cc1cc(I)c(O)c(I)c1,[N][#C][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2],-0.3595662167051049
Oc1ccccc1,[O][C][=C][C][=C][C][=C][Ring1][=Branch1],1.3871594279477149
COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C,[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][S][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][C],-0.7572970975651101
CCCCCCc1ccccc1,[C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],-1.1337382475761608
Clc1cc(Cl)c(Cl)c(Cl)c1Cl,[Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl],-1.3466355560657013
O=[N+]([O-])c1cccc(O)c1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1],0.8984633334603608
CCSCc1ccccc1OC(=O)NC,[C][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C],0.37589721262239817
CC(C)(C)c1ccc(O)cc1,[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0.22106280644818688
Clc1cccc(I)c1,[Cl][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1],-0.33053476554744027
Cc1cccc(C)c1,[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1],0.022681223537478944
Oc1cccc(O)c1,[O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1],1.779084018576187
COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl,[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][I][C][=C][Ring1][Branch2][Cl],-1.8159773497812788
Cc1ccc(Cl)cc1,[C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],-0.10312173147906775
CCCCOC(=O)c1ccc(N)cc1,[C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1],-0.10408944651765646
C=C(C)CN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],[C][=C][Branch1][C][C][C][N][Branch1][Ring1][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1],-1.5759840202112514
Clc1ccc(Cl)c(Cl)c1Cl,[Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl],-0.8240694352277387
CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl,[C][C][O][P][=Branch1][C][=S][Branch1][Ring1][C][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl],-1.3959890230337313
Clc1cc(Cl)c(Cl)c(Cl)c1,[Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2],-0.853100886385403
Nc1ccccc1O,[N][C][=C][C][=C][C][=C][Ring1][=Branch1][O],1.0387820140557396
COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC,[C][O][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C],0.6125035395573646
CNC(=O)Oc1ccccc1OC(C)C,[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C],0.3952515133941746
Cc1ccccc1Cl,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],-0.3160190399686081
CCOP(=S)(OCC)ON=C(C#N)c1ccccc1,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][N][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.9653558308617063
Fc1ccccc1,[F][C][=C][C][=C][C][=C][Ring1][=Branch1],0.5162158932177769
Cc1cc(C)c(C)c(C)c1C,[C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][=Branch2][C],-0.5482706492299249
CCOP(=S)(OCC)SCSc1ccc(Cl)cc1,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][S][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],-1.3882473027250208
Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1],0.022681223537478944
CNC(=O)Oc1cccc(N=CN(C)C)c1,[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][Branch2][N][=C][N][Branch1][C][C][C][=C][Ring1][O],0.2549328327987957
COP(=S)(OC)Oc1ccc(SC)c(C)c1,[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][C][=C][Branch1][Ring1][S][C][C][Branch1][C][C][=C][Ring1][=Branch2],-0.8240694352277387
NC(=S)Nc1ccccc1,[N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=C][Ring1][=Branch1],0.5307316187966092
Oc1ccc(Cl)cc1,[O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],1.0484591644416281
Cc1cccc(N)c1,[C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1],0.9758805365474663
CCOC(=O)c1ccc(N)cc1,[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1],0.12138815747353844
Clc1ccc(Cl)c(Cl)c1,[Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],-0.3498890663192167
Oc1ccccc1O,[O][C][=C][C][=C][C][=C][Ring1][=Branch1][O],1.687151089910249
Cc1ccccc1Br,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br],0.3081571599211807
CCNc1ccccc1,[C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1],0.564601645147218
CN(C)C(=O)Nc1ccc(Cl)cc1,[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],-0.011188802813129888
Brc1cc(Br)c(Br)cc1Br,[Br][C][=C][C][Branch1][C][Br][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Br],-1.9901660567272668
COc1ccc(Cl)cc1,[C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0.042035524309255355
COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1,[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][C][=C][Ring1][#Branch2],-0.5676249500017012
NC(=O)c1ccccc1O,[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O],0.5065387428318887
Cc1ccccc1[N+](=O)[O-],[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1],0.2597714079917397
CCc1ccccc1C,[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],-0.166023208987341
CCCCOC(=O)c1ccccc1C(=O)OCCCC,[C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C],-0.741813656947689
COc1c(O)c(Cl)c(Cl)c(Cl)c1Cl,[C][O][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][Cl],-0.5579477996158129
COc1ccc([N+](=O)[O-])cc1,[C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2],0.22106280644818688
Nc1ccc(S(N)(=O)=O)cc1,[N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2],0.7387903520932055
CCCN(CCC)c1c([N+](=O)[O-])cc(C(C)C)cc1[N+](=O)[O-],[C][C][C][N][Branch1][Ring2][C][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1],-1.7530758722730055
CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C,[C][C][O][P][=Branch1][C][=S][Branch1][#Branch1][N][C][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C],-0.6421390079730404
Clc1cccc(Cl)c1Cl,[Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl],-0.5482706492299249
O=[N+]([O-])c1ccc(Cl)c(Cl)c1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],-0.161184633794397
CCOc1ccc(NC(N)=O)cc1,[C][C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2],0.33718861107884535
CC=Cc1ccc(OC)cc1,[C][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],-0.12731460744378817
CC(C)c1ccc(NC(=O)N(C)C)cc1,[C][C][Branch1][C][C][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N],-0.32376076027731865
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-],[C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][N][N+1][=Branch1][C][=O][O-1],-0.1708617841802852
CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1,[C][C][Branch1][C][C][O][P][=Branch1][C][=S][Branch1][#Branch1][O][C][Branch1][C][C][C][S][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.6450421530888069
Cc1ccccc1C(C)C,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],-0.43214484459926633
Nc1cccc(Cl)c1,[N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],0.7242746265143732
CN(C)C(=O)Nc1cccc(C(F)(F)F)c1,[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2],-0.27247186323211126
Cc1cccc(O)c1,[C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1],1.058136314827516
O=[N+]([O-])c1ccc([N+](=O)[O-])cc1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2],-0.25311756246033484
CN(C)C(=O)Nc1ccccc1,[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],0.612987397076659
ClCc1ccccc1,[Cl][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0.23073995683407508
CON(C)C(=O)Nc1ccc(Br)c(Cl)c1,[C][O][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Cl][=C][Ring1][Branch2],-0.5114974777635497
CC(=O)Nc1ccc(F)cc1,[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],0.5258930436036652
CCc1cccc(CC)c1N(COC)C(=O)CCl,[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][Branch1][Ring2][C][O][C][C][=Branch1][C][=O][C][Cl],-0.1902160849520614
O=[N+]([O-])c1ccc(Cl)cc1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],-0.025704528391962092
O=[N+]([O-])c1ccccc1Cl,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],0.15332275374696963
CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,[C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],-0.9208409390866202
O=[N+]([O-])c1ccccc1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1],0.5162158932177769
Ic1ccccc1,[I][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.06925170512845892
COc1ccccc1OCC(O)COC(N)=O,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][O][C][Branch1][C][N][=O],0.9105597714427212
CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC,[C][C][C][C][O][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][Branch1][Ring1][C][C][C][=C][C][=C][Ring1][Branch2][C][C],-0.6402035778958629
Oc1cccc(Cl)c1Cl,[O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl],0.7581446528649819
CCC(=O)Nc1ccc(Cl)c(Cl)c1,[C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],-0.06441312993551492
Cc1ccc(N)cc1,[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1],0.8016918296014789
CNC(=O)Oc1ccccc1,[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0.5147643206598937
Cc1cccc(C)c1C,[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C],-0.161184633794397
CNC(=O)Oc1ccc(N(C)C)c(C)c1,[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][#Branch2],0.2452556824129075
N#Cc1cc(Br)c(O)c(Br)c1,[N][#C][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][=Branch2],-0.22408611130267023
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,[O][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][Cl],-0.6837507546323598
NC(=O)NCc1ccccc1,[N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0.9274947846180255
Cc1ccc(NC(=O)N(C)C)cc1Cl,[C][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][Cl],-0.298116311754715
CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1,[C][O][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],-0.3508567813578056
CS(=O)(=O)c1ccc(C(O)C(CO)NC(=O)C(Cl)Cl)cc1,[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][=C][Ring1][P],0.3449303313875559
O=[N+]([O-])c1ccc(O)cc1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],1.0291048636698517
Nc1ccccc1[N+](=O)[O-],[N][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1],0.4387986901306714
Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-],[C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1],-0.06441312993551492
Brc1ccc(Br)c(Br)c1,[Br][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Ring1][Branch2],-0.7901994088771298
Cc1ccc(C(C)C)cc1O,[C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][O],0.3807357878153422
Cc1cc(Cl)ccc1N=CN(C)C,[C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][=C][N][Branch1][C][C][C],0.00332692276570253
Nc1ccc([N+](=O)[O-])cc1,[N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2],0.2404171072199633
Clc1ccccc1,[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1],0.23557853202701928
Brc1ccc(I)cc1,[Br][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1],-0.8192308600347942
CCCCCc1ccccc1,[C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.857939461578347
Oc1ccc(Cl)c(Cl)c1,[O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],0.7823375288297024
CCN(CC)c1ccccc1,[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.07892885551434713
Fc1cccc(F)c1,[F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1],0.419444389358895
CC(C)(C)Cc1ccccc1,[C][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.6208492771240866
Clc1ccccc1I,[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][I],-0.3256961903544963
Cc1cccc(C)c1O,[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O],0.7629832280579261
COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl,[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Cl],-0.6982664802111918
CCc1cccc(C)c1N(C(=O)CCl)C(C)COC,[C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][Branch1][C][C][C][O][C],0.06622840027397577
OCc1ccccc1,[O][C][C][=C][C][=C][C][=C][Ring1][=Branch1],1.1936164202299508
Oc1ccc(Br)cc1,[O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],0.859754731916808
O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N],-0.011188802813129888
Brc1ccc(Br)cc1,[Br][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],-0.5821406755805336
Clc1ccc(Cl)cc1,[Cl][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],-0.1950546601450056
Clc1cc(Cl)cc(Cl)c1,[Cl][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2],-0.7805222584912418
O=Cc1ccccc1,[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1],0.811368979987367
N=C(N)NS(=O)(=O)c1ccc(N)cc1,[N][=C][Branch1][C][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1],0.4242829645518391
COC(=O)c1ccc(O)cc1,[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0.503151740196828
Cc1ccc(O)c(C)c1,[C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2],0.811368979987367
O=[N+]([O-])c1cccc(Cl)c1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],0.046874099502199354
FC(F)(F)c1ccccc1,[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][=Branch1],0.17267705451874604
CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC,[C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C],-1.5856611705971397
COC(=O)c1ccccc1C(=O)OC,[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C],0.5839559459189945
Clc1cc(Cl)c(Cl)cc1Cl,[Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl],-1.303088379329204
Nc1ccccc1Cl,[N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],0.6516959986202118
COc1cccc(Cl)c1,[C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],0.042035524309255355
O=Cc1ccc(O)cc1,[O][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0.9226562094250813
Fc1ccccc1Br,[F][C][=C][C][=C][C][=C][Ring1][=Branch1][Br],0.08074412585280798
Oc1ccc(Cl)cc1Cl,[O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl],0.6371802730413795
Cc1ccccc1N,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N],0.31783431030706893
C=CCc1ccc(OC)cc1,[C][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],-0.025704528391962092
CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1,[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][O][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C],-0.030543103584906302
Clc1ccccc1Cl,[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],-0.08860600590023533
Nc1cccc([N+](=O)[O-])c1,[N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2],0.32751146069295717
Oc1cc(Cl)cc(Cl)c1Cl,[O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl],0.09525985143164038
Nc1ccccc1,[N][C][=C][C][=C][C][=C][Ring1][=Branch1],1.1887778450370068
Brc1cc(Br)cc(Br)c1,[Br][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2],-1.3224426801009805
COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl,[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl],-1.3805055824163097
C=CCc1ccc(O)c(OC)c1,[C][=C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2],0.6323416978484353
O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,[O][=N+1][Branch1][C][O-1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][Cl],-1.428891334345751
COC(=O)c1cc(O)c(O)c(O)c1,[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2],0.7871761040226466
Fc1cccc(Br)c1,[F][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1],0.09525985143164038
Clc1ccc(Br)cc1,[Cl][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],-0.3692433670909931
COc1ccccc1[N+](=O)[O-],[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1],0.4387986901306714
CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,[C][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][O],-0.24827898726739064
COc1ccccc1O,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O],0.4387986901306714
Oc1ccc(Cl)c(Cl)c1Cl,[O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl],0.09525985143164038
COc1ccccc1,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0.49202301725305647
CCc1ccc(C)cc1,[C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1],-0.11763745705789995
O=[N+]([O-])c1cccc([N+](=O)[O-])c1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2],0.2791257087635161
Nc1ccc(Cl)cc1,[N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0.5839559459189945
CC(C)(C)c1ccccc1,[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.38375909266982555
Brc1ccccc1,[Br][C][=C][C][=C][C][=C][Ring1][=Branch1],0.15332275374696963
CCOC(=O)c1ccc(O)cc1,[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0.25009425760585147
COC(=O)c1ccccc1,[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0.49202301725305647
CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],-0.45149914537104274
Oc1ccccc1Cl,[O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],0.8742704574956403
CCOc1ccccc1,[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0.2597714079917397
CCOC(=O)C=Cc1ccccc1,[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.06441312993551492
Cc1ccc(S(N)(=O)=O)cc1,[C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2],0.5452473443754415
C#CC(C)OC(=O)Nc1cccc(Cl)c1,[C][#C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],0.12090429995424408
CCOP(=S)(OCC)Oc1ccc(S(C)=O)cc1,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][=C][C][=C][Branch1][=Branch1][S][Branch1][C][C][=O][C][=C][Ring1][=Branch2],0.2742871335705721
Cc1ccc(C)c(C)c1,[C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2],-0.21440896091678202
Oc1cc(Cl)c(Cl)cc1Cl,[O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl],0.31783431030706893
NNc1ccccc1,[N][N][C][=C][C][=C][C][=C][Ring1][=Branch1],1.4210294542983235
Oc1c(Cl)ccc(Cl)c1Cl,[O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl],0.1097755770104726
Brc1cccc(Br)c1,[Br][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1],-0.3256961903544963
CC(=O)Nc1ccccc1,[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],0.7436289272861496
CC(=O)c1ccccc1,[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0.7678218032508701
CCCOC(=O)c1ccc(N)cc1,[C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1],0.20074079063782174
CCOC(=O)c1ccccc1,[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0.26460998318468393
CON(C)C(=O)Nc1ccc(Cl)cc1,[C][O][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0.14364560336108143
Cc1ccc(Br)cc1,[C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],-0.1563460586014528
CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],[C][C][C][C][N][Branch1][Ring1][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1],-1.288572653750372
Cc1cc(C)c(O)c(C)c1,[C][C][=C][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2],0.3952515133941746
c1ccccc1,[C][=C][C][=C][C][=C][Ring1][=Branch1],0.5936330963048826
Clc1ccc(I)cc1,[Cl][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1],-0.5627863748087573
COc1ccc(NC(=O)N(C)C)cc1Cl,[C][O][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][Cl],0.1465487484768478
CC(C)N(C(=O)CCl)c1ccccc1,[C][C][Branch1][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1],0.18719278009757825
C=Cc1ccccc1,[C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1],0.022681223537478944
Cc1ccccc1C,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C],0.03235837392336715
Oc1ccc(O)cc1,[O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],1.3049036496676651
CCCCCCc1ccc(O)cc1O,[C][C][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O],0.13396845297519322
Oc1c(Cl)cc(Cl)c(Cl)c1Cl,[O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl],-0.11279888186495596
Clc1cccc(Cl)c1,[Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],-0.08376743070729133
CSc1ccccc1,[C][S][C][=C][C][=C][C][=C][Ring1][=Branch1],0.23073995683407508
CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC,[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C][C][C],-1.980488906341378
Cc1cc(C)cc(O)c1,[C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][O][=C][Ring1][Branch2],0.709758900935541
O=C(Nc1cccc(Cl)c1)OCC#CCCl,[O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][C][#C][C][Cl],-0.7272979313688566
CC(=O)Nc1ccc(Cl)cc1,[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0.011552500593707452
CNc1ccccc1,[C][N][C][=C][C][=C][C][=C][Ring1][=Branch1],0.7678218032508701
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][N][O],0.682662879855054
Oc1cccc(Cl)c1,[O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],1.0484591644416281
Clc1cccc(Br)c1,[Cl][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1],-0.166023208987341
OCCOc1ccccc1,[O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],1.0484591644416281
CCc1ccccc1,[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0.046874099502199354
C#CC(C)N(C)C(=O)Nc1ccc(Cl)cc1,[C][#C][C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],-0.4998848973004838
COc1ccc(C=O)cc1,[C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2],0.6662117241990441
CC(=O)Nc1ccc([N+](=O)[O-])cc1,[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2],0.08461498600716326
CC(=O)Nc1ccc(O)cc1,[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0.8887861830744727
CCCCOc1ccc(C(=O)OCC)c(N(CC)CC)c1,[C][C][C][C][O][C][=C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=C][Ring1][S],-0.4708534461428192
Cc1c(C)c(C)c(C)c(C)c1C,[C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][C],-1.1434153979620492
Cc1ccc(C(C)C)c(O)c1,[C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][O][=C][Ring1][#Branch2],0.3129957351141247
CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2],-0.8676166119642355
CC(C)OC(=O)Nc1cccc(Cl)c1,[C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],-0.24827898726739064
CC(O)c1ccccc1,[C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0.9420105101968578
CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C,[C][C][Branch1][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][Branch1][C][C][C],-1.824202927609284
Cc1cc(C)cc(C)c1,[C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2],-0.25795613765327885
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC,[C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C],-1.087771783243192
O=[N+]([O-])c1ccccc1[N+](=O)[O-],[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1],-0.11279888186495596
Fc1ccc(F)cc1,[F][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],0.4339601149377273
CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],[C][C][C][N][Branch1][Ring2][C][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1],-1.3611512816445335
CCNC(=O)C(C)OC(=O)Nc1ccccc1,[C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],0.5017001676389446
Cc1ccc([N+](=O)[O-])cc1,[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2],0.18235420490463403
Cc1ccc(O)cc1,[C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],1.0339434388627957
CN(C)c1ccccc1,[C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0.4581529909024478
CNC(=O)Oc1ccccc1C(C)C,[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],0.0018753502078192451
COc1ccccc1Cl,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],0.19686993048346646
COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl,[C][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Cl],-1.5595328645552415
Cc1ccc(C(C)C)cc1,[C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2],-0.43698341979221056
Oc1c(Cl)cccc1Cl,[O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl],0.5210544684107211
O=C(NC(CO)C(O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,[O][=C][Branch2][Ring1][#Branch2][N][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][C][Cl][Cl],0.3657362047172154
Brc1ccccc1Br,[Br][C][=C][C][=C][C][=C][Ring1][=Branch1][Br],-0.3063418895827199
Oc1c(Cl)cc(Cl)cc1Cl,[O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl],0.2549328327987957
CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-],[C][C][C][N][Branch1][Ring2][C][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1],-1.1095453716114405
Cc1ccc(O)cc1C,[C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C],0.7194360513214292
Sc1ccccc1,[S][C][=C][C][=C][C][=C][Ring1][=Branch1],0.36138148704356576
CNC(=O)Oc1cc(C)cc(C)c1,[C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2],0.13832317064884264
NC(=O)c1ccccc1,[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0.9226562094250813
Clc1ccccc1Br,[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][Br],-0.1563460586014528
Oc1cc(Cl)cc(Cl)c1,[O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2],0.7387903520932055
Cc1ccccc1,[C][C][=C][C][=C][C][=C][Ring1][=Branch1],0.31783431030706893
Oc1cc(Cl)c(Cl)c(Cl)c1Cl,[O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl],-0.13699175782967637
COc1ccccc1O,[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O],0.4387986901306714
CCOC(=O)c1ccccc1C(=O)OCC,[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C],0.25009425760585147
CC(C)Cc1ccccc1,[C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.606333551545254
Oc1c(Cl)c(Cl)cc(Cl)c1Cl,[O][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl],-0.24344041207444664
CCCc1ccccc1,[C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.24344041207444664
Cc1cc(C)c(C)cc1C,[C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C],-0.8337465856136266
CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C,[C][C][=Branch1][C][=O][N][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][C][C][C][=C][Ring1][#C][C],-0.1805389345661734
CNC(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1,[C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C],-0.6643964538605833
CCCCc1ccccc1,[C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.5773021003875892
N#Cc1ccccc1C#N,[N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N],0.23557853202701928
Cc1cccc([N+](=O)[O-])c1,[C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2],0.20654708086935467
COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl,[C][O][P][=Branch1][C][=O][Branch1][Ring1][O][C][O][C][=Branch1][Ring1][=C][Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl],-0.800844274301607
Clc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1,[Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][Cl][=C][Ring1][S],-2.154677613287366
Clc1ccc(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1,[Cl][C][=C][C][=C][Branch1][S][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl][C][Branch1][C][Cl][=C][Ring1][S],-2.207901940409751
Clc1cccc(-c2ccccc2)c1,[Cl][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N],-0.9740652662090055
Clc1cccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl,[Cl][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][=C][Ring1][S][Cl],-2.7740152379842105
Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl,[Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][=C][Ring2][Ring1][C][Cl],-3.0401368735961363
Clc1ccccc1-c1ccccc1Cl,[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl],-1.1627696987338252
Clc1cccc(-c2cc(Cl)ccc2Cl)c1,[Cl][C][=C][C][=C][C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][=C][Ring1][=C],-1.5208242630116886
Clc1ccc(Cl)c(-c2ccc(Cl)c(Cl)c2)c1,[Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring1][#C],-2.120807586936757
Clc1ccccc1-c1ccccc1,[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.8095537096489062
Clc1ccc(-c2ccccc2Cl)cc1,[Cl][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring1][=N],-1.1676082739267697
Clc1ccc(-c2ccc(Cl)cc2)cc1,[Cl][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=N],-1.786945898623614
Cc1ccc(-c2ccccc2)cc1,[C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N],-0.8482623111924591
Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl,[Cl][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring2][Ring1][C][Cl],-3.04497544878908
Clc1cc(Cl)c(-c2cccc(Cl)c2Cl)cc1Cl,[Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][Ring1][#C][Cl],-2.1014532861649804
Clc1ccc(-c2cccc(Cl)c2Cl)cc1,[Cl][C][=C][C][=C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][=C][Ring1][=C],-1.6563043684141237
Clc1ccc(-c2ccccc2)cc1Cl,[Cl][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][Cl],-1.7046901203435645
Clc1cccc(-c2cccc(Cl)c2Cl)c1Cl,[Cl][C][=C][C][=C][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=C][Ring1][=C][Cl],-2.1353233125155895
Oc1ccc(-c2ccccc2)cc1,[O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N],-0.2966647391968317
Clc1ccc(-c2cc(Cl)ccc2Cl)c(Cl)c1,[Cl][C][=C][C][=C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][Cl][=C][Ring1][#C],-1.7917844738165585
Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1,[Cl][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl][C][Branch1][C][Cl][=C][Ring1][S],-2.3869292225486824
Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)c(Cl)c1Cl,[Cl][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl][C][Branch1][C][Cl][=C][Ring1][S][Cl],-2.488539301600509
Nc1ccc(-c2ccc(N)cc2)cc1,[N][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring1][=N],0.08074412585280798
Clc1c(Cl)c(Cl)c(-c2ccccc2)c(Cl)c1Cl,[Cl][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][#C][Cl],-2.444992124864012
Clc1c(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl,[Cl][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][Cl][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2][Cl],-4.22558779586744
Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1,[Cl][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][Cl][C][Branch1][C][Cl][=C][Ring2][Ring1][C],-2.444992124864012
Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c1,[Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][=C][Ring1][P],-2.3288663202333533
Clc1ccc(Cl)c(-c2cccc(Cl)c2Cl)c1,[Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][=C][Ring1][#C],-1.7433987218871172
Clc1ccc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1,[Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][=C][Ring1][P],-2.203063365216807
Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl,[Cl][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][C][=C][Ring1][S][Cl],-2.396606372934571
c1ccc(-c2ccccc2)cc1,[C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N],-0.7152014933864962
Clc1cc(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1,[Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][S][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][Branch1][C][Cl][=C][Ring1][P],-2.8272395651065962
Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1,[Cl][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][Cl][=C][Ring2][Ring1][C],-2.93852679454431
Clc1ccc(-c2cc(Cl)ccc2Cl)cc1,[Cl][C][=C][C][=C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][=C],-1.6369500676423472
Clc1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1,[Cl][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][C][Branch1][C][Cl][=C][Ring1][P],-2.188547639637974
Clc1cccc(Cl)c1-c1ccccc1,[Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],-1.1337382475761608
Clc1ccc(-c2c(Cl)cccc2Cl)cc1,[Cl][C][=C][C][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][=C],-1.5837257405199618
Clc1cccc(Cl)c1-c1c(Cl)cccc1Cl,[Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl],-2.188547639637974
Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl,[Cl][C][=C][C][Branch1][C][Cl][=C][Branch1][S][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl][C][=C][Ring1][S][Cl],-2.7546609372124347
Clc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl,[Cl][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][C][Branch1][C][Cl][=C][Ring1][P][Cl],-2.3191891698474656
Clc1ccc2ccccc2c1,[Cl][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],-0.616010701931142
Cc1ccc(C)c2ccccc12,[C][C][=C][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1],-0.616010701931142
Cc1cc(C)c2ccccc2c1,[C][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O],-0.6885893298253037
CCc1cccc2ccccc12,[C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],-0.6305264275099745
Brc1cccc2ccccc12,[Br][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],-0.7176207809829681
Nc1cccc2ccccc12,[N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],0.4581529909024478
Oc1ccc2ccccc2c1,[O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],0.28396428395646034
Brc1ccc2ccccc2c1,[Br][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],-0.741813656947689
c1ccc2ccccc2c1,[C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],-0.3547276415121609
Ic1cccc2ccccc12,[I][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],-0.8143922848418502
Cc1ccc2ccccc2c1,[C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],-0.43698341979221056
Clc1cccc2ccccc12,[Cl][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],-0.5144006228793162
Brc1ccc2ccccc2c1,[Br][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],-0.741813656947689
CCc1ccc2ccccc2c1,[C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],-0.6885893298253037
Cc1cccc2ccccc12,[C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],-0.40311339344160196
CCN(CC)C(=O)C(C)Oc1cccc2ccccc12,[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],-0.3402119159333285
Cc1ccc2cc(C)ccc2c1,[C][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=C][Ring1][O],-0.9789038414019495
Cc1cccc2c(C)cccc12,[C][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][O][Ring1][#Branch1],-0.8768099048308289
Oc1cccc2ccccc12,[O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],0.3129957351141247
Cc1cc2ccccc2cc1C,[C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C],-0.8966480631218998
O=[N+]([O-])c1cccc2ccccc12,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],-0.3256961903544963
CNC(=O)Oc1cccc2ccccc12,[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],-0.17279721425746283
CCCCC1(CC)C(=O)NC(=O)NC1=O,[C][C][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][#Branch2][=O],0.5834720883997
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,[C][C][C][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=N][=O],0.19299907032911118
CCC(C)C1(CC)C(=O)NC(=O)NC1=O,[C][C][C][Branch1][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][#Branch2][=O],0.23073995683407508
C=CCC1(C)C(=O)NC(=O)NC1=O,[C][=C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=Branch2][=O],0.8258847055661994
C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O,[C][=C][C][C][Branch1][#Branch1][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][N][=O],0.41170266905018443
CC(C)C1(C(C)C)C(=O)NC(=O)NC1=O,[C][C][Branch1][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][O][=O],0.048809529579376995
CCC1(CC)C(=O)NC(=O)NC1=O,[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][#Branch2][=O],0.22590138164113108
CCC1(CC)C(=O)NC(=O)N(C)C1=O,[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][O][=O],0.3081571599211807
C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O,[C][=C][C][C][Branch1][Branch2][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=N][=O],0.24719111249008513
CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,[C][C][C][C][Branch1][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][#Branch2][=O],0.23073995683407508
C=CCC1(C(C)C)C(=O)NC(=O)NC1=O,[C][=C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][O][=O],0.5607307849928627
C=CCC1(CC)C(=O)NC(=O)NC1=O,[C][=C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][#Branch2][=O],0.6062133918065372
CCC1(C(C)C)C(=O)NC(=O)NC1=O,[C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][O][=O],0.31783431030706893
C=CCC1(CC=C)C(=O)NC(=O)NC1=O,[C][=C][C][C][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][O][=O],0.3821873603732255
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,[C][C][C][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=N][=O],0.10106614166317332
CCC1(C(C)C)C(=O)NC(=O)NC1=O,[C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][O][=O],0.34783347650332225
CCC1(C)C(=O)NC(=O)NC1=O,[C][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=Branch2][=O],0.7929823942541795
CCC1(CC=C(C)C)C(=O)NC(=O)NC1=O,[C][C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=N][=O],0.2970284369774092
C=C(Br)CC1(C(C)CC)C(=O)NC(=O)NC1=O,[C][=C][Branch1][C][Br][C][C][Branch1][#Branch1][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][N][=O],0.10638857437541188
CC1(C)C(=O)NC(=O)NC1=O,[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=Branch2][=O],0.5442796293368528
CC(C)=CCC1(C(C)C)C(=O)NC(=O)NC1=O,[C][C][Branch1][C][C][=C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][O][=O],0.13251688041730994
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)CO)CCC12,[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][C][C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][C][Ring1][=C][Ring1][#Branch2],-0.2821490136179995
CC12CCC(=O)C=C1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(O)C12F,[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][C][C][C][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][Ring1][#Branch2][Branch1][C][C][C][C][Branch1][C][O][C][Ring1][S][Ring2][Ring1][=Branch2][F],-0.27247186323211126
C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,[C][#C][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring1][S][Ring2][Ring1][Ring2][C],-1.3514741312586454
CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(C)O,[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][O],-0.5477867917106305
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][Branch1][C][O][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][C][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O],-0.10796030667201174
CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring1][Ring1][S][C],-0.853100886385403
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,[C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring1][Ring1][S][C],-0.751490807333577
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,[C][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring1][Ring1][S][C],-1.1211579520745063
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,[C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring1][S][Ring2][Ring1][Ring2][C],-0.4597247231990479
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C=O)C(C(=O)CO)CCC12,[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][Branch1][C][O][C][C][Branch1][Ring1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][C][Ring1][S][Ring1][O],-0.4756920213357634
CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,[C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring2][Ring1][Ring1][Ring1][S][C],-1.2111554506632665
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(O)CCC12,[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][C][C][Branch1][C][C][C][Branch1][C][O][C][C][C][Ring1][O][Ring1][#Branch1],-0.5579477996158129
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C,[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][Branch1][C][O][C][C][Ring1][P][Ring2][Ring1][Branch1][C],-0.9740652662090055
CC(=O)OC1(C)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C,[C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][C][C][Ring1][S][Ring2][Ring1][Ring2][C],-1.1695437040039471
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12,[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][Branch1][C][O][C][C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][C][Ring1][#C][Ring1][#Branch2],-0.1805389345661734
C#CC1(O)CCC2C3CCC4=CC(=O)CCC4(O)C3CCC21C,[C][#C][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][O][C][Ring1][N][C][C][C][Ring1][S][Ring2][Ring1][Ring2][C],-0.8240694352277387
C#CC1(OC(C)=O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C,[C][#C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][C][Ring1][O][C][C][C][Ring1][#C][Ring2][Ring1][=Branch1][C],-0.9353566646654526
CCNc1nc(Cl)nc(N(CC)CC)n1,[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=N][Ring1][N],-0.5773021003875892
CCNc1nc(Cl)nc(NC(C)C)n1,[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][O],-0.4756920213357634
CCN(CC)c1nc(Cl)nc(NC(C)C)n1,[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][O],-0.44424128258162676
COc1nc(NC(C)C)nc(NC(C)C)n1,[C][O][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][=C],0.18816049513616695
CCN(CC)c1nc(Cl)nc(N(CC)CC)n1,[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][Cl][=N][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=N][Ring1][N],-0.7471360896599275
CCNc1nc(NC(C)C)nc(SC)n1,[C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][N],-0.08376743070729133
CCNc1nc(NC(C)(C)C)nc(SC)n1,[C][C][N][C][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][=N],-0.5482706492299249
CCNc1nc(NC(C)C)nc(OC)n1,[C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][N],0.3788003577381645
CCNc1nc(Cl)nc(NCC)n1,[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][Ring2][N][C][C][=N][Ring1][#Branch2],-0.8143922848418502
CSc1nc(N(C)C)nc(N(C)C)n1,[C][S][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][N],0.09235670631587382
COCCCNc1nc(NC(C)C)nc(SC)n1,[C][O][C][C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][N],-0.029575388546317374
CCNc1nc(Cl)nc(NC(C)(C)C#N)n1,[C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][O][N][C][Branch1][C][C][Branch1][C][C][C][#N][=N][Ring1][=N],-0.13699175782967637
CN(C)c1nc(N(C)C)nc(N(C)C)n1,[C][N][Branch1][C][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][N],-0.24053726695868008
CC(C)Nc1nc(Cl)nc(NC(C)C)n1,[C][C][Branch1][C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][O],-0.7563293825265209
CSc1nc(NC(C)C)nc(NC(C)C)n1,[C][S][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][=C],-0.5966564011593657
CCNc1nc(NC(C)(C)C)nc(OC)n1,[C][C][N][C][=N][C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][=N],-0.18005507704687884
c1ccncc1,[C][=C][C][=N][C][=C][Ring1][=Branch1],1.7548911426114664
Cc1ccncc1C,[C][C][=C][C][=N][C][=C][Ring1][=Branch1][C],1.5613481348937024
Cc1cccc(C)n1,[C][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1],1.6048953116301994
Cc1cccnc1C,[C][C][=C][C][=C][N][=C][Ring1][=Branch1][C],1.5710252852795905
Oc1ccccn1,[O][C][=C][C][=C][C][=N][Ring1][=Branch1],1.8806940976280129
Cc1ccnc(C)c1,[C][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1],1.5710252852795905
CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl],-1.3563127064515894
NNC(=O)c1ccncc1,[N][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],1.3915141456213644
COC(=O)c1cccnc1,[C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1],1.1645849690722863
CCc1ccccn1,[C][C][C][=C][C][=C][C][=N][Ring1][=Branch1],1.633926762787864
Cc1cncc(C)c1,[C][C][=C][N][=C][C][Branch1][C][C][=C][Ring1][#Branch1],1.5710252852795905
NC(=O)c1cccnc1,[N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1],1.6823125147173048
Clc1cccc(C(Cl)(Cl)Cl)n1,[Cl][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][Ring1][#Branch2],-0.43214484459926633
Oc1ccncc1,[O][C][=C][C][=N][C][=C][Ring1][=Branch1],1.8806940976280129
COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1,[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][Ring2][Ring1][Ring1],-1.946618879990769
Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1,[Cl][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][Cl][C][=C][Ring1][P],-2.0966147109720366
OC(c1ccccc1)c1ccccc1,[O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0.15332275374696963
OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl,[O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl],-1.354377276374412
Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,[Cl][C][=C][C][=C][Branch2][Ring1][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][Cl][Cl][C][=C][Ring1][P],-1.7627530226588937
CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1cccc(Cl)c1,[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],-0.8047151344559622
CN(C)C(=O)C(c1ccccc1)c1ccccc1,[C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],-0.05473597954962671
Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1,[Cl][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][Ring2][Ring1][C],-2.0724218350073165
c1ccc(Cc2ccccc2)cc1,[C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N],-0.5869792507734777
CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1,[C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],-0.9982581421737259
Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1,[Cl][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][Cl][C][=C][Ring1][P],-2.0966147109720366
Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O,[O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O],-0.5255293458230875
CC1CCC(C(C)C)C(O)C1,[C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][O][C][Ring1][#Branch2],0.16299990413285784
OC1CCCCC1,[O][C][C][C][C][C][C][Ring1][=Branch1],1.1742621194581746
CCSC(=O)N(CC)C1CCCCC1,[C][C][S][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][C][C][C][Ring1][=Branch1],-0.25795613765327885
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl,[Cl][C][C][Branch1][C][Cl][C][Branch1][C][Cl][C][Branch1][C][Cl][C][Branch1][C][Cl][C][Ring1][#Branch2][Cl],-0.857939461578347
CC1CCC(C)CC1,[C][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1],-0.7756836832982974
C1CCCCC1,[C][C][C][C][C][C][Ring1][=Branch1],-0.11279888186495596
CC1CCCCC1,[C][C][C][C][C][C][C][Ring1][=Branch1],-0.4756920213357634
CC1CCCCC1C,[C][C][C][C][C][C][C][Ring1][=Branch1][C],-0.6934279050182477
CCC1CCCCC1,[C][C][C][C][C][C][C][C][Ring1][=Branch1],-0.6692350290535273
OC1C(O)C(O)C(O)C(O)C1O,[O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O],1.5565095597007583
Cc1ncnc2nccnc12,[C][C][=N][C][=N][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1],1.1616818239565196
Oc1ncc2nccnc2n1,[O][C][=N][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2],0.4450888378814987
COc1cnc2ncncc2n1,[C][O][C][=C][N][=C][N][=C][N][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2],0.8360457134713819
COc1ncnc2nccnc12,[C][O][C][=N][C][=N][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1],0.8500775815309198
COc1ncc2nccnc2n1,[C][O][C][=N][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2],0.8500775815309198
Cc1ncc2nccnc2n1,[C][C][=N][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2],1.3290965256323857
Cc1cnc2cncnc2n1,[C][C][=C][N][=C][C][=N][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2],0.9739451064702888
COc1cnc2cncnc2n1,[C][O][C][=C][N][=C][C][=N][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2],0.9468490853898017
c1cnc2ncncc2n1,[C][=C][N][=C][N][=C][N][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2],1.396836578333603
CC12C=CC(=O)C=C1CCC1C3CC(O)C(O)(C(=O)CO)C3(C)CC(O)C12F,[C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][C][C][Branch1][C][O][C][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][Ring1][O][Branch1][C][C][C][C][Branch1][C][O][C][Ring1][P][Ring2][Ring1][#Branch2][F],-0.39343624305571373
CC(=O)OCC(=O)C1(O)C(OC(C)=O)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][C][Ring2][Ring1][#Branch2][C],-0.6111721267381981
CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,[C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][Branch1][C][O][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][C][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O],-0.15150748340850878
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,[C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][C][Branch1][C][C][C][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O],-0.3498890663192167
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C,[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][Branch1][C][O][C][C][Ring1][P][Ring2][Ring1][Branch1][C],-0.7272979313688566
CCCCC(=O)OC1(C(=O)CO)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,[C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][Branch1][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][C][Ring2][Ring1][#Branch2][C],-0.8918094879289559
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,[C][C][C][C][C][C][C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][=N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][Ring1][Branch1][C][C][C][Ring2][Ring1][#Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O],-1.3287328278518082
CC(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][C][Ring2][Ring1][#Branch1][C],-0.9837424165948939
CC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,[C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][C][C][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][=N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch1][C],-0.5961725436400716
CCCCCC(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O,[C][C][C][C][C][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O],-1.460825930619182
CCCCCCCC(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O,[C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O],-1.769043170409721
CCCCCCC(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O,[C][C][C][C][C][C][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O],-1.6616268011263622
O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1,[O][=C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C],-0.5952048286014828
CCCCC(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O,[C][C][C][C][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O],-0.8763260473115347
CC(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O,[C][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O],-0.7756836832982974
CCC(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O,[C][C][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O],-0.9871294192299547
CCCC(=O)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O,[C][C][C][C][=Branch1][C][=O][O][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O],-1.0664820523942382
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1,[C][C][Branch1][C][C][C][Branch1][#Branch1][C][=C][Branch1][C][Cl][Cl][C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][F][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C],-2.1629031911153707
CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,[C][C][Branch1][C][C][C][Branch1][#Branch1][C][=C][Branch1][C][Br][Br][C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N],-2.678211449163918
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,[C][C][Branch1][C][C][C][Branch1][#Branch1][C][=C][Branch1][C][Cl][Cl][C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N],-2.4919263042355704
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,[C][C][Branch1][C][C][C][Branch1][#Branch1][C][=C][Branch1][C][Cl][Cl][C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N],-1.6567882259334181
CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1,[C][C][Branch1][C][C][C][Branch1][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N],-2.568859649803381
CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C,[C][C][Branch1][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][#N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][Ring2][Ring1][#Branch1][Branch1][C][C][C],-1.528082125801105
CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C,[C][C][Branch1][C][C][=C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N][C][Ring2][Ring1][Ring2][Branch1][C][C][C],-1.1482539731549932
CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O,[C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][NH1][C][Branch1][C][C][=C][Branch1][C][Br][C][Ring1][=Branch2][=O],0.16638690676791856
Cc1c[nH]c(=O)[nH]c1=O,[C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O],0.6584700038903335
O=c1[nH]cc(F)c(=O)[nH]1,[O][=C][NH1][C][=C][Branch1][C][F][C][=Branch1][C][=O][NH1][Ring1][Branch2],0.8660448796676353
O=c1cc[nH]c(=O)[nH]1,[O][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][Ring1][#Branch1],0.6671794392376328
CSCS(=O)CC(CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O,[C][S][C][S][=Branch1][C][=O][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O],0.42863768222548876
Cn1ccc(=O)[nH]c1=O,[C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O],0.9966864098771261
Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl,[C][C][NH1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][N][Cl],0.1852573500204006
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O,[O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][O],-0.5250454883037932
CN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21,[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Ring2][Ring1][Branch1],-0.44956371529386513
O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1,[O][=C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N][Ring2][Ring1][Ring2],-0.44956371529386513
O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1,[O][=C][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N][Ring2][Ring1][Branch1],-0.30585803206342554
CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1],-0.4292416994835
O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O,[O][=C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Ring2][Ring1][Ring1][O],-0.3566630715893386
CCN1c2ncccc2C(=O)N(C)c2cccnc21,[C][C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][P],0.1194527273963608
CCN1C(=O)c2cccnc2N(CC)c2ncccc21,[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][Ring1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C],0.00332692276570253
CCN1c2ncccc2C(=O)Nc2c(C(F)(F)F)cc(C)nc21,[C][C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Branch1][C][C][N][=C][Ring1][O][Ring2][Ring1][Branch1],-0.6484291557238676
CCN1c2nc(N(C)CCO)ccc2NC(=O)c2cccnc21,[C][C][N][C][=N][C][Branch1][Branch2][N][Branch1][C][C][C][C][O][=C][C][=C][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][Branch1],-0.23860183688150244
CCN1c2ncccc2C(=O)N(C)c2ccc(Cl)nc21,[C][C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][Ring2][Ring1][C],-0.6034304064294875
CCN1c2ncccc2C(=O)Nc2c(C)cc(C)nc21,[C][C][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][Ring2][Ring1][C],-0.8163277149190277
Nc1ccc2cc3ccccc3cc2c1,[N][C][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][Ring1][#Branch2][=C][Ring1][=C],-1.1143839468043844
Cc1c2ccccc2c(C)c2ccccc12,[C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1],-1.7917844738165585
Oc1c2ccccc2cc2ccccc12,[O][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1],-0.9014866383148443
Cc1ccc2cc3ccccc3cc2c1,[C][C][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][Ring1][#Branch2][=C][Ring1][=C],-1.980488906341378
Cc1c2ccccc2cc2ccccc12,[C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1],-1.4627613606963594
c1ccc2cc3ccccc3cc2c1,[C][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][Ring1][#Branch2][=C][Ring1][=C],-1.685335819571788
O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][#C],-1.2547026273997632
CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1,[C][C][O][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N],-0.8869709127360119
COc1ccc(Oc2ccc(NC(=O)N(C)C)cc2)cc1,[C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1],-0.6256878523170305
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,[O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl],-0.7708451081053533
CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1,[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C],-0.9789038414019495
c1ccc(Oc2ccccc2)cc1,[C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N],-0.5289163484581484
c1ccc2c(c1)ccc1c3ccccc3ccc21,[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring1][#Branch2],-2.511280605007346
Cc1cc2c3ccccc3ccc2c2ccccc12,[C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1],-1.7917844738165585
Nc1cc2c3ccccc3ccc2c2ccccc12,[N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1],-1.6127571916776267
Cc1cc2ccccc2c2ccc3ccccc3c12,[C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][Ring1][#Branch2],-1.8014616242024464
Cc1c(C)c2c3ccccc3ccc2c2ccccc12,[C][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1],-2.0046817823060987
Cc1ccc2ccc(C)nc2c1,[C][C][=C][C][=C][C][=C][C][Branch1][C][C][=N][C][Ring1][#Branch1][=C][Ring1][O],0.44847584051655964
Oc1ccc2ncccc2c1,[O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],0.34202718627178935
Oc1cccc2ncccc12,[O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],0.15816132893991364
Oc1cccc2cccnc12,[O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1],0.21622423125524287
c1ccc2ncccc2c1,[C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],0.7581446528649819
CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][=C][C][Branch1][C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][#Branch2],-0.3740819422839373
CCCCc1c(C)nc(N(C)C)nc1O,[C][C][C][C][C][=C][Branch1][C][C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][#Branch2][O],0.30331858472823653
c1cncnc1,[C][=C][N][=C][N][=C][Ring1][=Branch1],1.9194026991715658
Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C,[C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][#C][C],0.4436372653236155
CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C,[C][C][C][C][C][=C][Branch1][C][C][N][=C][Branch1][Ring2][N][C][C][N][=C][Ring1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C],-0.6256878523170305
CCCC1CCCC1,[C][C][C][C][C][C][C][C][Ring1][Branch1],-0.9063252135077883
C1CCCC1,[C][C][C][C][C][Ring1][Branch1],0.1097755770104726
CCCCCC1CCCC1,[C][C][C][C][C][C][C][C][C][C][Ring1][Branch1],-1.5546942893622975
CC1CCCC1,[C][C][C][C][C][C][Ring1][Branch1],-0.20957038572383782
CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][S][C][Branch1][Ring1][C][Cl][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O],-1.680497244378844
CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][S][C][Branch1][Ring1][C][Cl][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O],-1.680497244378844
O=C1NC(=O)c2ccccc21,[O][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],0.12429130258930501
CCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O],-0.23376326168855843
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,[O][=C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Cl][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O],-0.8869709127360119
O=C(Nc1ccccc1)c1ccccc1I,[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][I],-0.6498807282817509
Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O,[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Branch1][C][Cl][C][=C][Ring1][O][O],-0.4466605701780988
O=C(Nc1ccccc1)c1ccccc1O,[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O],-0.3498890663192167
CCN1c2cc(Cl)ccc2NC(=O)c2cccnc21,[C][C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][P],-1.2063168754703224
CCN1c2cc(OC)cc(C)c2NC(=O)c2cccnc21,[C][C][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][Ring1],-1.1061583689763792
CCN1c2ccccc2N(C)C(=O)c2cccnc21,[C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][P],-0.22118296618690367
CCN1c2cc(N(C)C)cc(C)c2NC(=O)c2cccnc21,[C][C][N][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][Ring2],-0.9697105485353561
Cn1c(=O)c2[nH]cnc2n(C)c1=O,[C][N][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][N][Branch1][C][C][C][Ring1][O][=O],0.7145974761284851
Cn1cnc2c1c(=O)[nH]c(=O)n2C,[C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C],0.16638690676791856
Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,[C][N][C][=Branch1][C][=O][C][=C][Branch1][=N][N][=C][N][Ring1][Branch1][C][C][Branch1][C][O][C][O][N][Branch1][C][C][C][Ring1][S][=O],1.3049036496676651
Cn1c(=O)c2c(ncn2C)n(C)c1=O,[C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][N][Branch1][C][C][C][Ring1][N][=O],0.9633002410458118
OC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,[O][C][C][=C][C][C][Ring1][Branch1][C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Ring1][=Branch2][Branch1][C][Cl][C][Ring1][=Branch2][Branch1][C][Cl][Cl],-1.2547026273997632
ClC1=C(Cl)C2(Cl)C3CC=CC3C1(Cl)C2(Cl)Cl,[Cl][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][C][C][C][=C][C][Ring1][Branch1][C][Ring1][O][Branch1][C][Cl][C][Ring1][#Branch2][Branch1][C][Cl][Cl],-1.341796980872757
ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl,[Cl][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][C][C][Branch1][C][Cl][C][=C][C][Ring1][=Branch1][C][Ring1][N][Branch1][C][Cl][C][Ring1][O][Branch1][C][Cl][Cl],-1.6693685214350726
Cc1c[nH]c(=O)nc1N,[C][C][=C][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][N],0.6816951648164651
Nc1cc[nH]c(=O)n1,[N][C][C][=C][NH1][C][=Branch1][C][=O][N][=Ring1][#Branch1],0.8283039931626713
Nc1nc(=O)[nH]cc1F,[N][C][=N][C][=Branch1][C][=O][NH1][C][=C][Ring1][#Branch1][F],0.9168499191935484
Cc1c(N)c(=O)n(-c2ccccc2)n1C,[C][C][=C][Branch1][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C],1.085232335908003
Cc1cc(=O)n(-c2ccccc2)n1C,[C][C][=C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C],1.7331175542432178
Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C,[C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][C],1.2110352909245496
O=[N+]([O-])c1ccc(C=NO)o1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][Ring2][C][=N][O][O][Ring1][Branch2],0.32751146069295717
O=Cc1ccco1,[O][=C][C][=C][C][=C][O][Ring1][Branch1],1.3387736760182738
c1ccoc1,[C][C][=C][O][C][=Ring1][Branch1],0.9903962621262988
CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,[C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O],-0.45633772056398697
CC(=O)CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,[C][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O],-0.1950546601450056
CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O,[C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O],-0.41762911902043415
C1CCOC1,[C][C][C][O][C][Ring1][Branch1],1.6242496124019756
CC1CCCO1,[C][C][C][C][C][O][Ring1][Branch1],1.4403837550701
OCC1OC(O)(CO)C(O)C1O,[O][C][C][O][C][Branch1][C][O][Branch1][Ring1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O],1.6968282402961372
CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C,[C][C][O][C][O][C][=C][C][=C][Branch1][#Branch2][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][Ring1][=C][Branch1][C][C][C],-0.267633288039167
CNC(=O)Oc1cccc2c1OC(C)(C)C2,[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1],0.03235837392336715
CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C,[C][C][O][C][=Branch1][C][=O][C][C][N][Branch2][Ring1][=C][S][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C],-0.8918094879289559
OC1CCCCCCC1,[O][C][C][C][C][C][C][C][C][Ring1][Branch2],0.7629832280579261
C1CCCCCCC1,[C][C][C][C][C][C][C][C][Ring1][Branch2],-0.6208492771240866
CN(C)C(=O)NC1CCCCCCC1,[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][Branch2],0.31396345015271365
Cc1ccc2c(ccc3ccccc32)c1,[C][C][=C][C][=C][C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring1][=C],-1.4385684847316391
c1ccc2c(c1)ccc1ccccc12,[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O],-1.1579311235408813
Cc1cccc2c1ccc1ccccc12,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],-1.443407059924583
c1ccc(CCc2ccccc2)cc1,[C][=C][C][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C],-0.8482623111924591
CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1,[C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],-0.7563293825265209
OC(c1ccccc1)C(O)c1ccccc1,[O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0.4533144157095037
CC1=CC(=O)CC(C)(C)C1,[C][C][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2],0.8742704574956403
C=C(C)C1CC=C(C)C(=O)C1,[C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][Branch2],0.3904129382012304
CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1,[C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2],0.9758805365474663
C=C(C)C1CC=C(C)CC1,[C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch1],-0.6740736042464713
C1=CCCCC1,[C][=C][C][C][C][C][Ring1][=Branch1],0.13396845297519322
CC1=CCCCC1,[C][C][=C][C][C][C][C][Ring1][=Branch1],-0.1950546601450056
OC1COC(O)C(O)C1O,[O][C][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O],1.5758638604725348
OCC1OC(O)C(O)C(O)C1O,[O][C][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O],1.745213992225578
C1CCOCC1,[C][C][C][O][C][C][Ring1][=Branch1],1.3726437023688827
C=CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,[C][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=C][=O],0.24090096473925762
CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,[C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=C][=O],0.263642268146095
CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,[C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][Ring1][=C][=O],0.263642268146095
Nc1cnn(-c2ccccc2)c(=O)c1Br,[N][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=N][Br],-0.12586303488590486
CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl,[C][N][C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=Ring1][P][Cl],-0.5705280951174678
Nc1cnn(-c2ccccc2)c(=O)c1Cl,[N][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=N][Cl],-0.005382512581596964
CC12CCC3c4ccc(O)cc4CCC3C1CCC2O,[C][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][Ring1][O][C][Ring1][#C][C][C][C][Ring2][Ring1][C][O],-1.0466438941031673
C#CC1(O)CCC2C3CCc4cc(O)ccc4C3CCC21C,[C][#C][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][O][C][C][C][Ring1][#C][Ring2][Ring1][Ring1][C],-0.6934279050182477
CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2O,[C][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][Ring1][O][C][Ring1][#C][C][C][Branch1][C][O][C][Ring2][Ring1][Ring1][O],-1.0103545801560863
c1ccc2scnc2c1,[C][=C][C][=C][S][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2],0.6613731490061
CCOc1ccc2nc(S(N)(=O)=O)sc2c1,[C][C][O][C][=C][C][=C][N][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][S][C][Ring1][=Branch2][=C][Ring1][=N],-0.45633772056398697
Sc1nc2ccccc2s1,[S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2],-0.15150748340850878
COc1ccc2ccc(=O)oc2c1CC=C(C)C,[C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][C][=C][Branch1][C][C][C],-0.7002019102883695
CCOP(=S)(OCC)Oc1ccc2oc(=O)c(Cl)c(C)c2c1,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][=C][C][=C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][=C][Branch1][C][C][C][Ring1][=Branch2][=C][Ring1][=N],-1.2169617408947997
CCN1C(=O)c2ccccc2Oc2ccccc21,[C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S],-0.39343624305571373
Cc1ccc2c(c1)C(=O)N(C)c1cc(N)ccc1O2,[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][O][Ring1][#C],-0.5134329078407273
c1cc2c3c(c4ccc5ccccc5c4cc3c1)CC2,[C][=C][C][=C][C][=Branch2][Ring1][#Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][C][Ring1][=C][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][C],-2.411122098513403
Cc1ccc2c(ccc3c4c5c(cccc5cc32)CC4)c1,[C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][Ring1][=C][C][C][Ring1][O][=C][Ring2][Ring1][Ring2],-2.444992124864012
Cc1ncc([N+](=O)[O-])n1CCO,[C][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][Branch2][C][C][O],0.7968532544085347
Cc1ncc([N+](=O)[O-])n1CCO,[C][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][Branch2][C][C][O],0.7774989536367584
NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][N][C][N][S][Ring1][=Branch2][=Branch1][C][=O][=O],0.11461415220341681
NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][N][C][Branch1][=Branch1][C][Branch1][C][Cl][Cl][N][S][Ring1][N][=Branch1][C][=O][=O],0.09042127623869618
CC1=CC(=O)c2ccccc2C1=O,[C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O],-0.07892885551434713
O=C(CC(Cl)Cl)NC1=C(Cl)C(=O)c2ccccc2C1=O,[O][=C][Branch1][#Branch1][C][C][Branch1][C][Cl][Cl][N][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O],-1.0466438941031673
CCCCc1c(C)nc(NCC)[nH]c1=O,[C][C][C][C][C][=C][Branch1][C][C][N][=C][Branch1][Ring2][N][C][C][NH1][C][Ring1][#Branch2][=O],-0.0779611404757584
O=c1ccnc(S)[nH]1,[O][=C][C][=C][N][=C][Branch1][C][S][NH1][Ring1][#Branch1],0.28735128659152104
CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,[C][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O],-0.4964978946654229
CC(=O)CC(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O,[C][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O],-1.4380846272123449
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O,[C][C][O][C][Branch2][#Branch1][#Branch1][O][C][C][Branch1][C][O][C][C][Branch2][=Branch1][=Branch1][O][C][C][Branch1][C][O][C][C][Branch2][Branch1][Branch1][O][C][C][C][C][Branch1][C][C][C][Branch2][Ring2][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Branch1][C][O][C][Branch1][C][C][C][Branch1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][Ring1][P][Ring1][N][O][C][Ring2][Ring1][O][O][C][Ring2][Ring2][Ring1][C][O][C][Ring2][Ring2][N][C][C][C][Branch1][C][O][C][Ring2][Branch1][Branch1][O],-0.5874631082927723
CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O,[C][C][O][C][Branch2][#Branch1][Ring2][O][C][C][Branch1][C][O][C][C][Branch2][=Branch1][Ring1][O][C][C][Branch1][C][O][C][C][Branch2][Branch1][C][O][C][C][C][C][Branch1][C][C][C][Branch2][Ring2][C][C][C][C][C][Ring1][#Branch1][C][C][C][Branch1][C][C][C][Branch1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][Ring1][S][Ring1][N][O][C][Ring2][Ring1][#Branch2][O][C][Ring2][Ring2][C][C][O][C][Ring2][Ring2][O][C][C][C][Branch1][C][O][C][Ring2][Branch1][Ring2][O],-1.1738984216775965
Cc1c[nH]c2ccccc12,[C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1],0.21622423125524287
c1ccc2[nH]ccc2c1,[C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2],0.6516959986202118
CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21,[C][C][O][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][S][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O],-1.1448669705199321
O=c1[nH]c2cc(Cl)ccc2o1,[O][=C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2],0.01735879082524016
NC(=O)NC1NC(=O)NC1=O,[N][C][=Branch1][C][=O][N][C][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O],0.612987397076659
O=C1CNC(=O)N1,[O][=C][C][N][C][=Branch1][C][=O][N][Ring1][=Branch1],1.1936164202299508
CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO,[C][C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][C][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O],-0.11763745705789995
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C,[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][C][=Branch1][C][=O][C][C][Ring1][P][Ring2][Ring1][Branch1][C],-0.6498807282817509
c1ccc2nc3ccccc3cc2c1,[C][=C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][Ring1][#Branch2][=C][Ring1][=C],-0.38859766786276956
Nc1cccc2nc3ccccc3cc12,[N][C][=C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][Ring1][#Branch2],-0.6547193034746949
C1CCCCCC1,[C][C][C][C][C][C][C][Ring1][#Branch1],-0.31118046477566386
OC1CCCCCC1,[O][C][C][C][C][C][C][C][Ring1][#Branch1],0.9613648109686341