| smiles,selfies,target | |
| CC(C)=CCCC(C)=CC=O,[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][=O],0.3904129382012304 | |
| C=CCCC,[C][=C][C][C][C],0.09042127623869618 | |
| CCCCCCCCCCCCCC,[C][C][C][C][C][C][C][C][C][C][C][C][C][C],-2.464346425635788 | |
| 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 | |