tox21_test.csv

smiles,selfies,target
O=C=NC1CCCCC1,[O][=C][=N][C][C][C][C][C][C][Ring1][=Branch1],0
CCCCNC(=O)OCC#CI,[C][C][C][C][N][C][=Branch1][C][=O][O][C][C][#C][I],1
C/C=C(C)/C=C/C=C(C)C,[C][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][C][C],0
Nc1nc(Cl)cc(Cl)n1,[N][C][=N][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=N][Ring1][Branch2],0
CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O,[C][C][=Branch1][C][=O][C][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O],0
CN(C)CCOc1ccccc1Cc1ccccc1.Nc1ccc(C(=O)O)c(O)c1,[C][N][Branch1][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring1][#Branch2],0
COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC,[C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][N][Branch1][C][C][C][C][C][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=N][O][C],0
O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][C][C][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N],0
COc1c2occc2c(OC)c2c(=O)cc(C)oc12,[C][O][C][=C][O][C][=C][C][Ring1][Branch1][=C][Branch1][Ring1][O][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Ring1][P][=Ring1][Branch2],0
Nc1ccc(/N=N\c2ccccc2)c(N)c1,[N][C][=C][C][=C][Branch1][O][/N][=N][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][#C],0
COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1,[C][O][C][=C][C][=C][NH1][C][=C][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Ring1][=C][=C][Ring2][Ring1][C],0
CCCOC(C)=O,[C][C][C][O][C][Branch1][C][C][=O],0
C[C@@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1,[C][C@@H1][C][N][Branch2][Ring2][Branch2][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=N][=C][Ring2][Ring1][Ring1][F][C][C@H1][Branch1][C][C][N][Ring2][Ring1][O],0
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,[C][C@][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C@@H1][C@@H1][Ring1][O][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@][Ring1][=Branch1][Branch1][C][C][O],0
NC(=O)c1ccccc1[N+](=O)[O-],[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1],0
CCC(=O)O[C@@H]1CC(=O)O[C@H](C)CC=CC=C[C@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H]1OC,[C][C][C][=Branch1][C][=O][O][C@@H1][C][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][C][=C][C][=C][C@H1][Branch1][C][O][C@H1][Branch1][C][C][C][C@H1][Branch1][Ring2][C][C][=O][C@H1][Branch2][Branch1][Ring2][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][N][O][C@H1][C][C@@][Branch1][C][C][Branch1][C][O][C@@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][C][C@H1][Branch1][C][C][O][Ring1][=C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring2][Ring1][=Branch2][O][C@H1][Ring2][Branch1][C][O][C],0
CCOC(=O)COC(=O)c1ccccc1C(=O)OCC,[C][C][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C],0
CCc1cc(Cc2cc(CC)c(N)c(CC)c2)cc(CC)c1N,[C][C][C][=C][C][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][Ring1][C][C][=C][Branch1][C][N][C][Branch1][Ring1][C][C][=C][Ring1][O][=C][C][Branch1][Ring1][C][C][=C][Ring2][Ring1][Ring2][N],0
CCCC/C=C\CCCCCCCCCC=O,[C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][C][C][=O],0
CNCCO,[C][N][C][C][O],0
S=C=NCCc1ccccc1,[S][=C][=N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2,[C][C][C][=C][C@@H1][C][N][Branch1][Ring2][C][Ring1][=Branch1][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch2][Branch1][=C][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][N][Branch1][C][C][C@H1][C@@][Branch1][C][O][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Branch1][Ring1][C][C][C][=C][C][N][C][C][C@][Ring2][Ring1][=C][Ring2][Ring1][=Branch1][C@@H1][Ring1][Branch1][Ring1][O][C][Ring2][Branch1][Branch1],0
C[C@]12C[C@H]3S[C@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,[C][C@][C][C@H1][S][C@H1][Ring1][Ring1][C][C@@H1][Ring1][#Branch1][C][C][C@@H1][C@@H1][Ring1][O][C][C][C@][Branch1][C][C][C@@H1][Branch1][C][O][C][C][C@@H1][Ring1][O][Ring1][#Branch1],0
Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2],0
CCCSSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N,[C][C][C][S][S][C][Branch1][Ring2][C][C][O][=C][Branch1][C][C][N][Branch1][Ring1][C][=O][C][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N],0
CC(C)(OO)c1ccccc1,[C][C][Branch1][C][C][Branch1][Ring1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=c1[nH]c2cc(Cl)ccc2o1,[O][=C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2],0
Oc1ccc(Nc2ccccc2)cc1,[O][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N],0
CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C,[C][S][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][#Branch1][C][=Branch1][C][=O][S][C][=C][Ring1][P][C][C][Branch1][C][C][C],0
CCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl,[C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch2][Ring1][Ring2][C][=N][N][Branch1][C][C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2][Cl][=C][Branch1][C][F][C][=C][Ring2][Ring1][C][Cl],0
CCNC(C)Cc1cccc(C(F)(F)F)c1,[C][C][N][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2],0
COC(=O)c1cncn1C(C)c1ccccc1,[C][O][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
COc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-],[C][O][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][C][=C][Ring1][=C][N+1][=Branch1][C][=O][O-1],0
COC(C(=O)O)c1ccccc1,[C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O,[C][C][C][C][=Branch1][Branch1][=N][O][C][C][C][=C][Branch1][C][O][C][C][Branch1][=Branch2][C][C][Branch1][C][C][S][C][C][C][C][Ring1][=N][=O],0
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
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,[Cl][C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][#Branch1],0
CC(O)COC(C)(C)C,[C][C][Branch1][C][O][C][O][C][Branch1][C][C][Branch1][C][C][C],0
COCC(=O)O,[C][O][C][C][=Branch1][C][=O][O],0
Nc1ccc(Sc2ccc(N)cc2)cc1,[N][C][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring1][=C],0
C=COCC1CCC(CO)CC1,[C][=C][O][C][C][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2],0
CCOP(=S)(Oc1cnc(C(C)(C)C)nc1)OC(C)C,[C][C][O][P][=Branch1][C][=S][Branch2][Ring1][Ring2][O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=C][Ring1][#Branch2][O][C][Branch1][C][C][C],0
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],0
O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1,[O][=C][Branch1][C][O][C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
CC(C)OCCO,[C][C][Branch1][C][C][O][C][C][O],0
CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-],[C][C][Branch1][C][C][S][C@@H1][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][C][C@H1][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O-1],0
CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C,[C][C][Branch1][C][C][N+1][Branch1][C][C][Branch2][Ring1][=N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C],0
COc1ccc(OC)c(C(O)C(C)N)c1,[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#Branch2][C][Branch1][C][O][C][Branch1][C][C][N][=C][Ring1][=N],0
CCCCCC(C)O,[C][C][C][C][C][C][Branch1][C][C][O],0
CCCC(=O)[O-],[C][C][C][C][=Branch1][C][=O][O-1],0
COC(=O)COc1ccc(Cl)cc1Cl,[C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl],0
O=C(C=Cc1ccccc1)OCCCc1ccccc1,[O][=C][Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CNCCC(Oc1ccccc1OC)c1ccccc1,[C][N][C][C][C][Branch1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13,[C][C][C@H1][C][C@@H1][C][C@H1][C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Ring1][O][C][C][N][Branch1][Branch1][C][Ring2][Ring1][C][C@@H1][Ring2][Ring1][Branch1][Ring1][P],0
Oc1c(Cl)cccc1Cl,[O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl],0
O=C(O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1,[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0
C=C(C)[C@H]1CC=C(C)C(=O)C1,[C][=C][Branch1][C][C][C@H1][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][Branch2],0
CC(=O)O[C@@H]1CC2C3CCc4cc(OC(=O)c5ccccc5)ccc4C3CCC2(C)[C@H]1OC(C)=O,[C][C][=Branch1][C][=O][O][C@@H1][C][C][C][C][C][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][C][Ring2][Ring1][Ring1][C][C][C][Ring2][Ring1][#Branch1][Branch1][C][C][C@H1][Ring2][Ring1][O][O][C][Branch1][C][C][=O],0
CCCCCCCCS(=O)C(C)Cc1ccc2c(c1)OCO2,[C][C][C][C][C][C][C][C][S][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1],0
C=C(C)C(N)=O,[C][=C][Branch1][C][C][C][Branch1][C][N][=O],0
CC(=O)N[C@@H](C=O)[C@H](O)[C@H](O)[C@@H](O)CO,[C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][=O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][O],0
C=CC(=O)N1CCOCC1,[C][=C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1],0
Cc1ccnc2ccccc12,[C][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],0
O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1,[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][Cl][Cl][C][=C][Ring1][N],0
NC(N)=Nc1nc(CSCC/C(N)=N\S(N)(=O)=O)cs1,[N][C][Branch1][C][N][=N][C][=N][C][Branch2][Ring1][C][C][S][C][C][/C][Branch1][C][N][=N][\S][Branch1][C][N][=Branch1][C][=O][=O][=C][S][Ring1][S],0
CCCCCCCCCCCC(=O)OCC,[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C],0
Nc1ncc([N+](=O)[O-])s1,[N][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2],0
Cc1cccc(C)c1NC(=O)C(C)N,[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][N],0
C[C@]12CC[C@H](OS(=O)(=O)[O-])CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,[C][C@][C][C][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][C][Ring1][O][=C][C][C@@H1][C@@H1][Ring1][#C][C][C][C@][Branch1][C][C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][O][Ring1][#Branch1],0
CC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C,[C][C][=Branch1][C][=O][O][C][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C],0
c1cnccn1,[C][=C][N][=C][C][=N][Ring1][=Branch1],0
NC(CO)(CO)CO,[N][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O],0
C[N+](C)(C)CC(=O)[O-],[C][N+1][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O-1],0
CCC(C)(C)C1CCCCC1OC(C)=O,[C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][O][C][Branch1][C][C][=O],0
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O,[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O],0
Nc1ccc(Cl)cc1C(=O)c1ccccc1F,[N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F],0
CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,[C][C][=C][C][C@H1][C@@H1][Branch1][P][C][C][=C][C][C@@H1][Branch1][C][O][C][C][C@@][Ring1][#Branch1][Ring1][O][C][C@@H1][Ring1][#C][C][C][C@][Ring2][Ring1][Ring1][O][C@@H1][C][C@H1][Branch1][C][C][C][N][C@H1][Ring1][#Branch1][C@H1][Ring1][#Branch2][C],0
CCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl,[C][C][C][Branch1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][Cl],1
CCCCCCCCCCCCCCCCn1cc[n+](C)c1,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][C][=C][N+1][Branch1][C][C][=C][Ring1][=Branch1],0
CCOC(=O)CC(C(C)=O)C(C)=O,[C][C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][C][C][=O],0
O=C(N[C@@H](c1ccccc1)[C@@H]1CCCCN1)c1cccc(C(F)(F)F)c1Cl,[O][=C][Branch2][Ring1][Branch1][N][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][Cl],0
C[C@@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,[C][C@@H1][Branch2][Ring1][#Branch1][C][=C][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][C][=C][C][=N][Ring1][=Branch1],0
OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]9CO)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO,[O][C][C@H1][O][C@@H1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][#Branch2][O][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][=Branch2][=Branch1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][#Branch1][P][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][=Branch1][N][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][Branch1][#Branch1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring2][C][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][#C][O][C@H1][Ring2][Branch1][=Branch1][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][#Branch1][O][O][C@@H1][Ring1][=C][C][O][O][C@@H1][Ring2][Ring1][=Branch2][C][O][O][C@@H1][Ring2][Ring2][Ring2][C][O][O][C@@H1][Ring2][Ring2][#C][C][O][O][C@@H1][Ring2][Branch1][#Branch2][C][O][O][C@@H1][Ring2][=Branch1][Branch1][C][O][O][C@@H1][Ring2][=Branch1][S][C][O],0
Cc1ncc[nH]1,[C][C][=N][C][=C][NH1][Ring1][Branch1],0
CN(C)N=Nc1ccccc1,[C][N][Branch1][C][C][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC(=O)C(C)(C)C,[C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C],0
O=C1NC(=O)C(=O)C(=O)N1,[O][=C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Ring1][=Branch2],0
CC1COc2ccccc2N1,[C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2],0
CC(C)CC(C)(c1ccc(O)cc1)c1ccc(O)cc1,[C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0
CCC(CO)(CO)CO,[C][C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O],0
CCCCC(CC)CO,[C][C][C][C][C][Branch1][Ring1][C][C][C][O],0
CNc1ncnc2[nH]cnc12,[C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1],0
CCCCCC/C=C/CCCCCCCC(=O)O,[C][C][C][C][C][C][/C][=C][/C][C][C][C][C][C][C][C][=Branch1][C][=O][O],0
O=C(O)C1(C(=O)Nc2ccc(Cl)cc2Cl)CC1,[O][=C][Branch1][C][O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C],0
C[NH+](C)CCC(c1ccccc1)c1cccc[nH+]1,[C][NH1+1][Branch1][C][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=NH1+1][Ring1][=Branch1],0
CCCCCCCCCCCCCCC(=O)O,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O],0
CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1,[C][C][Branch2][Ring1][=Branch2][C][O][C][=C][C][=C][Branch1][=N][C][C][S][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][C][C][C][C][C][Ring2][Ring1][=Branch1],0
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
NC(=O)CN1CC(O)CC1=O,[N][C][=Branch1][C][=O][C][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][=O],0
Nc1nc(=O)c(Br)c(-c2ccccc2)[nH]1,[N][C][=N][C][=Branch1][C][=O][C][Branch1][C][Br][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=C],0
Cc1ccc(N)cc1N,[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][N],0
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O,[C][N][C@@H1][C@H1][Branch2][Branch1][Branch1][O][C@H1][C@H1][Branch2][Ring1][P][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=N][N][C@@H1][Branch1][C][O][C@@H1][Ring1][=N][N][C][=Branch1][C][=N][N][O][C@@H1][Branch1][C][C][C@][Ring2][Ring1][Branch2][Branch1][C][O][C][=O][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][Branch1][O].[C][N][C@@H1][C@H1][Branch2][Branch1][Branch1][O][C@H1][C@H1][Branch2][Ring1][P][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=N][N][C@@H1][Branch1][C][O][C@@H1][Ring1][=N][N][C][=Branch1][C][=N][N][O][C@@H1][Branch1][C][C][C@][Ring2][Ring1][Branch2][Branch1][C][O][C][=O][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][Branch1][O],0
Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1,[N][C][N][=C][N][Branch1][#C][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Branch1][C][=O][N][=Ring1][#C],0
CCCCCC1C(=O)CCC1CC(=O)OC,[C][C][C][C][C][C][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C],0
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,[C][C][=Branch1][C][=O][O][C@][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][=N][C][C][C@@][Ring1][P][Ring2][Ring1][#Branch1][C],0
O=C(COc1ccc(Cl)cc1)OCCNC12CC3CC(CC(C3)C1)C2,[O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][C][C][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2],0
O=S(=O)(O)c1ccc(O)cc1,[O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CS[C@H](c2cccs2)CN(CC(=O)O)C1=O,[C][C][O][C][=Branch1][C][=O][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@H1][C][S][C@H1][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Ring1][S][=O],0
BrCCCBr,[Br][C][C][C][Br],0
COc1cc2[nH]c(=O)[nH]c(=O)c2cc1OC,[C][O][C][=C][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=C][Ring1][N][O][C],0
Cc1ccc(N)c(S(=O)(=O)O)c1,[C][C][=C][C][=C][Branch1][C][N][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Ring1][O],0
CC(=O)OC1CCC(C(C)(C)C)CC1,[C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2],0
CCC(C)C(C)=O,[C][C][C][Branch1][C][C][C][Branch1][C][C][=O],0
CCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1,[C][C][O][C][Branch1][=N][C][=Branch1][C][=O][O][C][C][N][Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,[C][C@][C][C][C@@H1][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][C][C@H1][Ring2][Ring1][Ring1][C@@H1][Ring2][Ring1][#Branch1][C][C][C@@H1][Ring2][Ring1][#Branch2][O],0
Nc1ccn([C@H]2CS[C@@H](CO)O2)c(=O)n1,[N][C][C][=C][N][Branch1][N][C@H1][C][S][C@@H1][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][=Branch1][C][=O][N][=Ring1][=C],0
[O-][n+]1ccccc1[S-],[O-1][N+1][=C][C][=C][C][=C][Ring1][=Branch1][S-1],0
CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O,[C][C][Branch1][C][C][C][C@H1][Branch2][Branch2][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][O][C][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][N][C][Branch1][C][N][=O],0
C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,[C][=Branch1][#Branch2][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][\C][N][C][C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1],0
CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1,[C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=N][C][=N][Ring1][Branch1],0
CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC,[C][C][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][C][C],0
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC,[C][C][C][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][C][C][C],0
CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1,[C][C][N][Branch1][Ring1][C][C][C][=N][C][Branch1][C][C][=C][C][Branch1][N][O][P][=Branch1][C][=S][Branch1][Ring1][O][C][O][C][=N][Ring1][=C],0
C1OCOCO1,[C][O][C][O][C][O][Ring1][=Branch1],0
CCC(=O)c1ccc(Cl)cc1,[C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1,[C][=C][C][N+1][Branch2][Branch1][N][C@H1][C][C@H1][C@@H1][C][C][C@H1][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C@][Ring1][S][Branch1][C][C][C@H1][Ring2][Ring1][Branch1][C][C][C@][Ring2][Ring1][=Branch2][Branch1][C][C][C@H1][Ring2][Ring1][=N][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring2][Ring2][Branch2],0
NNC(=O)c1cccnc1,[N][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1],0
Oc1ccc2ccccc2c1/N=N/c1ccccc1,[O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][/N][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1],0
Cc1cc(S(=O)(=O)[O-])ccc1/N=N/c1c(O)ccc2ccccc12,[C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][C][=C][Ring1][#Branch2][/N][=N][/C][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1],0
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
C[C@@H]1C(=O)N=C2Nc3cccc(Cl)c3CN21,[C][C@@H1][C][=Branch1][C][=O][N][=C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][Ring1][O][Ring1][#C],0
Cc1ccc(N=Nc2c(O)ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3)c2O)c(C)c1,[C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][=N][C][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][Branch1][N][=N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][=N],0
CCCc1ccccc1O,[C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O],0
OCC(CO)(CO)COCC(CO)(CO)CO,[O][C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O][C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O],0
O=C1C=CC(=O)N1c1ccccc1,[O][=C][C][=C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC(C[N+](C)(C)C)OC(N)=O,[C][C][Branch1][#Branch2][C][N+1][Branch1][C][C][Branch1][C][C][C][O][C][Branch1][C][N][=O],0
CC(C)CCCCOC(=O)c1ccccc1C(=O)OCCCCC(C)C,[C][C][Branch1][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][Branch1][C][C][C],0
CC(=O)C(C)=O,[C][C][=Branch1][C][=O][C][Branch1][C][C][=O],0
OCC(Br)=C(Br)CO,[O][C][C][Branch1][C][Br][=C][Branch1][C][Br][C][O],0
CCCBr,[C][C][C][Br],0
CC(C)(C)CC(C)(C)N,[C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][N],0
CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1,[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][O][C][C][Branch1][C][O][C][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][Ring1],0
CC/C=C\CCOC(C)=O,[C][C][/C][=C][\C][C][O][C][Branch1][C][C][=O],0
CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,[C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C],0
CCCCCCCCOc1ccc(C(=O)O)cc1,[C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2],0
O=S(=O)(O)c1cc(O)c2ccc(Nc3ccccc3)cc2c1,[O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Ring1][=N][=C][Ring2][Ring1][C],0
COC(=O)NN,[C][O][C][=Branch1][C][=O][N][N],0
O=C(O)c1ccccc1O,[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O],0
O=C(O)CP(=O)(O)O,[O][=C][Branch1][C][O][C][P][=Branch1][C][=O][Branch1][C][O][O],0
CCOC(=O)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,[C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring1][P],0
COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C,[C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O][C@@H1][Ring1][=Branch2][C@H1][C][=C][Branch1][S][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][O][C][O][Ring1][Branch2][C][C][N][Ring1][#C][C],0
Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O,[O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][C][C][C][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2][O],0
CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12,[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=C][C][=C][Branch1][Ring1][C][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][P][=Ring1][O],1
O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2],[O][=N+1][Branch1][C][O-1][O-1].[O][=N+1][Branch1][C][O-1][O-1].[Ca+2],0
CC(=O)OCc1ccco1,[C][C][=Branch1][C][=O][O][C][C][=C][C][=C][O][Ring1][Branch1],0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C,[C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][N][C@H1][Ring1][S][C][C][C@@][Ring2][Ring1][Ring2][Ring2][Ring1][Branch2][C],0
O=C(O)CCCCCCC(=O)O,[O][=C][Branch1][C][O][C][C][C][C][C][C][C][=Branch1][C][=O][O],0
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C,[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C],1
CC(=O)c1ccc2c(c1)Cc1ccccc1-2,[C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],0
Cc1cccc(C#N)c1,[C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2],0
FC(F)(F)c1ccc(Cl)cc1,[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1,[C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][#C],0
Nc1ccc(Cl)cc1[N+](=O)[O-],[N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1],0
CC(C)c1ccc(C#N)cc1,[C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2],0
CC(C)NC(C)C,[C][C][Branch1][C][C][N][C][Branch1][C][C][C],0
O=C(c1ccccc1)c1ccc(O)cc1O,[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O],0
CCC1(c2ccccc2)C(=O)N(COC)C(=O)N(COC)C1=O,[C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Ring2][C][O][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][O][C][C][Ring2][Ring1][Ring2][=O],0
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,[C][C@][C][C][C@H1][Branch1][C][O][C][C][Ring1][#Branch1][=C][C][C@@H1][C@@H1][Ring1][O][C][C][C@][Branch1][C][C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][O][Ring1][#Branch1],0
CC(C)c1ccccc1O,[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O],0
CCN(CC)CCOC(=O)c1ccc(N)cc1,[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1],0
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
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],0
CC1CCCC(C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,[C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][O],0
COC(C)(C)C,[C][O][C][Branch1][C][C][Branch1][C][C][C],0
CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,[C][C][Branch1][S][C][N][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Ring1][Branch2][N][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][Ring1][Branch2],1
CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1,[C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C@H1][C][C][C@@][Branch1][#Branch1][C][C][C][O][Ring1][Branch1][C][C@@H1][Ring1][#Branch2][N][C][C][C][C][Ring1][Branch1],0
NC(CS)C(=O)O,[N][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][O],0
CCOC(=O)C(=O)CCCCCCl,[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][C][C][C][C][C][Cl],0
CCOc1cccc([C@]2(N3CCN(c4ccccc4)CC3)CC[C@@H](C)CC2)c1,[C][C][O][C][=C][C][=C][C][Branch2][Ring2][C][C@][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][C][C@@H1][Branch1][C][C][C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2],0
O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-],[O][=N+1][Branch1][C][O-1][O][C@H1][C][O][C@H1][C@@H1][Ring1][Branch1][O][C][C@H1][Ring1][Branch1][O][N+1][=Branch1][C][=O][O-1],0
CCCC=NO,[C][C][C][C][=N][O],0
CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C,[C][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][Ring1][#C][C],0
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
CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2,[C][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1].[C][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][C@@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1],0
c1ccc(Cc2ccccc2)cc1,[C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N],0
c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1,[C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1],0
N#CC1(N=NC2(C#N)CCCCC2)CCCCC1,[N][#C][C][Branch1][#C][N][=N][C][Branch1][Ring1][C][#N][C][C][C][C][C][Ring1][Branch2][C][C][C][C][C][Ring1][S],0
CCCCCCCCCCCC#N,[C][C][C][C][C][C][C][C][C][C][C][C][#N],0
Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,[C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][Ring1][P],0
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
Cc1ccc(O)c(-n2nc3ccccc3n2)c1,[C][C][=C][C][=C][Branch1][C][O][C][Branch1][=C][N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring1][S],0
CC(=O)N1CCN(c2ccc(O)cc2)CC1,[C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N],0
COC(=O)CC#N,[C][O][C][=Branch1][C][=O][C][C][#N],0
COc1cc(C=CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,[C][O][C][=C][C][Branch2][Ring1][=N][C][=C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O][C],0
CC(=O)CCc1ccc(OC(C)=O)cc1,[C][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2],0
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(S(N)(=O)=O)cc21,[C][N][C@H1][C][C][C@@H1][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch1],0
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O,[C][C@][C][C][C@H1][C@@H1][Branch1][P][C][C][C][=C][C][=Branch1][C][=O][C][C][C@@][Ring1][#Branch1][Ring1][O][C][C@@H1][Ring1][S][C][C][C@@H1][Ring2][Ring1][Ring1][C][=Branch1][C][=O][O],0
Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1],0
CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,[C][C][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@H1][C@H1][Branch1][C][C][C][C@H1][C@@H1][C][C@H1][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][=N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@@][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch1][C],0
CC(C)=CCCC(C)CC=O,[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][=O],0
CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(C)=O)cc1,[C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][/C][Ring1][=C][=C][\C][=C][C][=C][Branch1][=Branch1][S][Branch1][C][C][=O][C][=C][Ring1][=Branch2],0
CC(CC1c2ccccc2CCc2ccccc21)CN(C)C,[C][C][Branch2][Ring1][#Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][N][Branch1][C][C][C],0
CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC,[C][C][C][C][N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][=N][C][=C][Ring1][N][C][=N][N][Ring1][Branch1][C][C],0
CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O,[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N][C][Ring2][Ring1][Ring2][=O],0
C=C(C)C(=O)NCCCN(C)C,[C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C],0
CCOc1ccc(NC(=O)CC(C)=O)cc1,[C][C][O][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=O][C][=C][Ring1][=N],0
CCCCCCCCCCCCCCCC[N+](C)(C)CC,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C],0
CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.O=C(O)CC(O)(CC(=O)O)C(=O)O,[C][C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][O][Ring1][=C].[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O],0
CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1,[C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch2][Ring1][#Branch1][C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][C][Ring2][Ring1][Ring2],0
COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1,[C][O][C][=C][C][=C][Branch2][Ring2][P][O][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring2][Ring2],0
C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O,[C][=C][C][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][=C][C][Ring1][=C][=O],0
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,[O][C][C@H1][O][C@H1][Branch2][Ring2][#Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][O][C@@H1][Ring1][=Branch2][C][O][O][C@@H1][Ring2][Ring1][Ring2][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][#C][O],0
O=C1c2ccccc2Cc2ccccc21,[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C],0
CC[C@@]1(c2ccccc2)NC(=O)N(C)C1=O,[C][C][C@@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][=N][=O],0
CCOc1ccc(NC(=O)OC(C)C)cc1OCC,[C][C][O][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring1][=N][O][C][C],0
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
CCC(CO)(CO)COCC(CC)(CO)CO,[C][C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O][C][C][Branch1][Ring1][C][C][Branch1][Ring1][C][O][C][O],0
CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12,[C][C][C][C][C][N][C][=Branch1][C][=N][N][/N][=C][/C][=C][NH1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][Ring1][Branch2],0
N=C(N)NCc1cccc(I)c1.N=C(N)NCc1cccc(I)c1,[N][=C][Branch1][C][N][N][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1].[N][=C][Branch1][C][N][N][C][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1],0
O=C1CCCN1C1CCCCC1,[O][=C][C][C][C][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1],0
Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1,[N][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2],0
CCC(CC)CO,[C][C][C][Branch1][Ring1][C][C][C][O],0
COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1,[C][O][C][=N][C][Branch1][C][C][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][Branch1],0
CC1C(=O)CC2C3(C)CCC2(C(C)C(=O)O)C(=O)C13,[C][C][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][C][C][Ring1][=Branch1][Branch1][#Branch2][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][Ring2][Ring1][C][Ring1][=N],0
CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO,[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][Ring1][C][O][C][O],0
CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1,[C][C][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2],0
C=C(C)C(=O)OCCC[Si](Cl)(Cl)Cl,[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][Si][Branch1][C][Cl][Branch1][C][Cl][Cl],0
CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,[C][N][C][Branch1][N][C][S][C][C][Branch1][C][F][Branch1][C][F][F][N][C][=C][C][Branch1][C][Cl][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][O][S][Ring2][Ring1][=Branch1][=Branch1][C][=O][=O],0
O=C(O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1,[O][=C][Branch1][C][O][C][C][C][C][P+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
C=CCOC(C)=O,[C][=C][C][O][C][Branch1][C][C][=O],0
CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,[C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
Cc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O],0
C=CCCCCCC,[C][=C][C][C][C][C][C][C],0
Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1,[Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=N][Ring1][=N],0
CCCCCCCCCCCC(=O)OCC(O)CO,[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O],0
O=NN(CCCl)C(=O)NCCCl,[O][=N][N][Branch1][Ring2][C][C][Cl][C][=Branch1][C][=O][N][C][C][Cl],0
CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,[C][C][N][C][C][C][C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][O][C],0
CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1,[C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][C][I][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][=Branch2],1
O=C(O)C=CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,[O][=C][Branch1][C][O][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C],0
O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1,[O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring1][#C],0
CCCCCCCCCCCCc1ccccc1,[C][C][C][C][C][C][C][C][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCCCCCCCCCO,[C][C][C][C][C][C][C][C][C][C][O],0
O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21,[O][=C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][Ring1][=C],0
O=C(Cl)c1cc(Cl)cc(Cl)c1,[O][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2],0
Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,[Cl][C][=C][C][=C][Branch2][Ring1][O][C][O][/N][=C][Branch1][=Branch2][\C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][Cl][=C][Ring2][Ring1][=Branch2],0
NC(=O)CCCCC1CCSS1,[N][C][=Branch1][C][=O][C][C][C][C][C][C][C][S][S][Ring1][Branch1],0
CC1(C)Cc2cccc(N)c2O1,[C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][O][Ring1][O],0
C=C1CC[C@H]2C[C@@H]1C2(C)C,[C][=C][C][C][C@H1][C][C@@H1][Ring1][=Branch1][C][Ring1][Ring2][Branch1][C][C][C],0
C=CCOC(=O)CCC1CCCCC1,[C][=C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][=Branch1],0
O=C(O)CF,[O][=C][Branch1][C][O][C][F],0
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1cccc(S(=O)(=O)[O-])c1,[C][C@@H1][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@][Ring2][Ring1][C][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring1][#Branch2],0
Brc1cc2ccccc2c2ccccc12,[Br][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1],0
CBr.CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1,[C][Br].[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
NC(=O)NC1N=C(O[AlH3](O)O)NC1=O,[N][C][=Branch1][C][=O][N][C][N][=C][Branch1][#Branch1][O][AlH3][Branch1][C][O][O][N][C][Ring1][=Branch2][=O],0
c1ccc2c(c1)Nc1ccccc1S2,[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O],0
CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N,[C][C][=Branch2][Ring1][N][=C][Branch1][N][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring1][C][=O][C][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N],0
O=C1C(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],0
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F],0
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],1
O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O,[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][=Branch2][As][=Branch1][C][=O][Branch1][C][O][O][=C][C][=C][Ring1][#Branch2][O],0
O=NN1CCCCCC1,[O][=N][N][C][C][C][C][C][C][Ring1][#Branch1],0
CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC,[C][C][C][C][C][C][C][C][C][C][C][C][N][Branch1][=N][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C],0
CC(C)CCCCCCCCCCCCCCC(=O)O,[C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O],0
CC1(C(=O)Nc2ccc(O)c(Cl)c2Cl)CCCCC1,[C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl][C][C][C][C][C][Ring2][Ring1][C],0
CCC1CO1,[C][C][C][C][O][Ring1][Ring1],0
c1ccc2sc(SN3CCOCC3)nc2c1,[C][=C][C][=C][S][C][Branch1][#Branch2][S][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Ring1][N][=C][Ring1][S],0
c1ccc2[nH]cnc2c1,[C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2],0
CC1CCCC(=O)C1=O,[C][C][C][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1][=O],0
COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1,[C][O][C][=C][C][=C][Branch2][Ring1][N][C][C@H1][Branch1][C][C][N][C][C@@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring2][N][C][=O][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1].[C][O][C][=C][C][=C][Branch2][Ring1][N][C][C@H1][Branch1][C][C][N][C][C@@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring2][N][C][=O][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1],0
COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C,[C][O][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch2][C],0
O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1,[O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],1
O=C(NO)c1ccccc1,[O][=C][Branch1][Ring1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CNCc1ccccc1,[C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
COC(=O)CC(C)=O,[C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=O],0
C#CCOc1ccc2c(C)cc(=O)oc2c1,[C][#C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N],0
C[Si](C)(C)O[Si](O)(O)O,[C][Si][Branch1][C][C][Branch1][C][C][O][Si][Branch1][C][O][Branch1][C][O][O],0
Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,[C][C][=N][C][=C][Branch2][Ring1][Branch1][C][S][S][C][C][=C][N][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C][O][C][Branch1][Ring1][C][O][=C][Ring2][Ring1][=Branch1][O],0
C=CCOC(=O)c1ccccc1N,[C][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N],0
COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC,[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][=Branch1][O][C],0
C/C=C(\C)C(=O)OCc1ccccc1,[C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
N#C/C=C/C#N,[N][#C][/C][=C][/C][#N],0
C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O,[C][C@][C][=C][C][=C][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C@H1][Ring1][O][C@@H1][Ring1][#C][C][C][C@@H1][Ring2][Ring1][C][O],0
ONc1ccccc1,[O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],0
Nc1ccc(Oc2ccc(Cl)cc2)cc1,[N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C],0
C[Hg]Cl,[C][Hg][Cl],1
COc1ccc2c(c1)c1c3n2CCN(C)C3=NCC1,[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][N][Ring1][=Branch1][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=N][C][C][Ring1][O],0
NC(=O)Nc1ccccc1,[N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCN(CC)c1cccc(O)c1,[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1],0
O=C(Cl)c1cccc(C(=O)Cl)c1,[O][=C][Branch1][C][Cl][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][=C][Ring1][=Branch2],0
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,[C][S][C][C][C@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][C@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O],0
O=S1(=O)CCCC1,[O][=S][=Branch1][C][=O][C][C][C][C][Ring1][=Branch1],0
O=C(O)c1ccc(OCCn2ccnc2)cc1,[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][O][O][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][=C],0
N[C@@H](Cc1ccc(O)cc1)C(=O)O,[N][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O],0
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21,[C][C][Branch1][C][C][N][N][=C][Branch1][P][C][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Ring2],0
CN1CCC(N(Cc2ccccc2)c2ccccc2)CC1,[C][N][C][C][C][Branch2][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2],0
S=C=S,[S][=C][=S],0
CCCCCCOC(=O)/N=C(/N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1,[C][C][C][C][C][C][O][C][=Branch1][C][=O][/N][=C][Branch1][C][/N][C][=C][C][=C][Branch2][Ring2][=C][N][C][C][=N][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][=Branch1][N][Ring2][Ring1][=Branch2][C][C][=C][Ring2][Ring2][C],0
CCN(CC)CCOC(=O)c1cccnc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O],0
CC(C)NC(=O)c1ccccc1N,[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N],0
FC(F)(F)c1ccc(Cl)cc1Cl,[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl],0
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,[C][C][=C][C][N][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][=C][Ring1][Branch2][N][Branch1][S][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][C][=Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][C],0
C=CC(=O)OCCCCCCCCCC,[C][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][C],0
O=C(O)c1ccccc1,[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
Cc1cccc(Nc2ccccc2)c1,[C][C][=C][C][=C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N],0
C/C=C(/C)C#N,[C][/C][=C][Branch1][C][/C][C][#N],0
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],0
CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC,[C][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][C],0
CCCCC(CC)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC,[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][Branch1][Ring1][C][C][C][C][C][C],0
NS(=O)(=O)c1ccccc1OC(F)(F)F,[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F],0
Oc1ccc(Cc2ccccc2)cc1,[O][C][=C][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N],0
CCN(CC)C(=O)c1cccc(C)c1,[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1],0
CCCCN(CCC(=O)OCC)C(C)=O,[C][C][C][C][N][Branch1][#Branch2][C][C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][=O],0
CCOC(=O)C1OC1(C)c1ccccc1,[C][C][O][C][=Branch1][C][=O][C][O][C][Ring1][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1,[O][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1],0
CCCCCCCCCCCCCBr,[C][C][C][C][C][C][C][C][C][C][C][C][C][Br],0
ON=C1CCCC1,[O][N][=C][C][C][C][C][Ring1][Branch1],0
CCN(CC)c1ccccc1,[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1,[O][C][=C][C][=C][Branch2][Ring2][C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2],1
COC(Cc1ccccc1)OC,[C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C],0
O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1,[O][=C][C][Branch1][C][Cl][C][Branch1][Ring1][C][Cl][C][N][Ring1][Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2],0
CCc1nn(C2CCCCC2)c2cc([C@]3(C#N)CC[C@@H](C(=O)O)CC3)ccc12,[C][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch2][Ring1][Ring2][C@][Branch1][Ring1][C][#N][C][C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][O][=C][C][=C][Ring2][Ring1][#Branch2][Ring1][P],1
CCC(CC)C(C)CCOC(C)=O,[C][C][C][Branch1][Ring1][C][C][C][Branch1][C][C][C][C][O][C][Branch1][C][C][=O],0
N#Cc1ccc(C2CCCc3cncn32)cc1,[N][#C][C][=C][C][=C][Branch1][=C][C][C][C][C][C][=C][N][=C][N][Ring1][Branch1][Ring1][=Branch2][C][=C][Ring1][#C],0
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
C[N+](C)=CCl,[C][N+1][Branch1][C][C][=C][Cl],0
CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2],[C][N][Branch1][C][C][C][=Branch1][C][=S][S-1].[C][N][Branch1][C][C][C][=Branch1][C][=S][S-1].[Zn+2],1
COC1=CC(=O)OC(CCc2ccccc2)C1,[C][O][C][=C][C][=Branch1][C][=O][O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C],0
CCOC(=O)CS,[C][C][O][C][=Branch1][C][=O][C][S],1
CN(C)C,[C][N][Branch1][C][C][C],0
CC(C(=O)c1ccccc1)N(C)C,[C][C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C],0
N#CC1(c2ccc(F)cc2)CCC(=O)CC1,[N][#C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][C][C][Ring1][=C],0
Cc1c(N)cccc1Cl,[C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][Cl],0
C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,[C][#C][C@][Branch1][N][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][O][C],0
CCCCCCCCC1CO1,[C][C][C][C][C][C][C][C][C][C][O][Ring1][Ring1],0
COc1ccc(C(=O)c2ccccc2O)c(O)c1,[C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][O][=C][Ring1][S],0
CN1CCN(C2=Nc3cc(F)ccc3Cc3ccccc32)CC1,[C][N][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S][C][C][Ring2][Ring1][=Branch1],0
OCC(O)c1ccccc1,[O][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCOCCOCCO,[C][C][O][C][C][O][C][C][O],0
COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O,[C][O][C][=C][C][Branch1][C][O][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][O],0
CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O,[C][C][C][=C][N][Branch1][#C][C@H1][C][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][Ring1][#C][=O],0
CCCC[P+](CC)(CCCC)CCCC.CCOP(=O)([O-])OCC,[C][C][C][C][P+1][Branch1][Ring1][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C].[C][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][C][C],0
NNC(=O)c1ccccc1,[N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC,[C][O][C][=C][C][Branch2][Branch1][C][C][=Branch1][C][=O][O][C][C][C][N][C][C][C][N][Branch2][Ring1][=N][C][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][C][Ring2][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch1][O][C],0
CN1C(=O)COc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc21,[C][N][C][=Branch1][C][=O][C][O][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][C][Ring2][Ring1][#Branch1],0
CN(C)CCOCCN(C)CCO,[C][N][Branch1][C][C][C][C][O][C][C][N][Branch1][C][C][C][C][O],0
BrCCBr,[Br][C][C][Br],0
CCC(=O)[O-],[C][C][C][=Branch1][C][=O][O-1],0
C=C(CC(=O)O)C(=O)O,[C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O],0
CC(C)CCOC(=O)CC(C)C,[C][C][Branch1][C][C][C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C],0
c1ccc2sc(SNC3CCCCC3)nc2c1,[C][=C][C][=C][S][C][Branch1][O][S][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][Ring1][=N][=C][Ring1][P],0
CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C,[C][C][=Branch1][C][=O][O][C@@H1][C][C@H1][C][C][C@][Ring1][=Branch1][Branch1][C][C][C][Ring1][=Branch1][Branch1][C][C][C],0
CC(C)(C)C1CCCCC1=O,[C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][=O],0
COC(=O)c1ccccc1,[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
NC=O,[N][C][=O],0
CN(C)C(=O)NC1(c2ccccc2)CCN(CCC[C@@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1,[C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring2][O][C][C][C][C@@][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring2][Branch1],0
CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C,[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][O][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][S][S][C][Ring2][Ring1][Ring1][Branch1][C][C][C],0
O=Cc1ccc(Cl)c([N+](=O)[O-])c1,[O][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2],0
CN(C[C@@H](CC[N+]12CCC(C3CCCCC3)(CC1)CC2)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,[C][N][Branch2][Ring2][=C][C][C@@H1][Branch2][Ring1][O][C][C][N+1][C][C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][Branch1][Branch1][C][C][Ring1][N][C][C][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C],0
CN(C)CCOCCN(C)C,[C][N][Branch1][C][C][C][C][O][C][C][N][Branch1][C][C][C],0
C[C@@H](N)[C@@H](O)c1ccccc1,[C][C@@H1][Branch1][C][N][C@@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
COc1ccc(-c2cc(=S)ss2)cc1,[C][O][C][=C][C][=C][Branch1][O][C][=C][C][=Branch1][C][=S][S][S][Ring1][=Branch1][C][=C][Ring1][N],0
CCC(Cl)C(Cl)C(Cl)CC(Cl)C(Cl)C(C)Cl,[C][C][C][Branch1][C][Cl][C][Branch1][C][Cl][C][Branch1][C][Cl][C][C][Branch1][C][Cl][C][Branch1][C][Cl][C][Branch1][C][C][Cl],0
O=S(=O)([O-])c1ccc2c(/N=N\c3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)c(S(=O)(=O)[O-])cc2c1,[O][=S][=Branch1][C][=O][Branch1][C][O-1][C][=C][C][=C][C][Branch2][Ring1][O][/N][=N][\C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=C][Branch1][C][O][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][C][Ring2][Ring1][O][=C][Ring2][Ring1][#C],0
CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C],0
CN(C)CCc1ccc(O)cc1,[C][N][Branch1][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0
O=c1ssc(Cl)c1Cl,[O][=C][S][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][Cl],0
O=C(O)c1ccc2c(c1)C(=O)OC2=O,[O][=C][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=O],0
CCCC(CCC)C(=O)O[C@H]1C[C@H]2CC[C@@H](C1)[N+]2(C)C,[C][C][C][C][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][O][C@H1][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N+1][Ring1][=Branch1][Branch1][C][C][C],0
Oc1ccccc1C=NCc1ccccc1,[O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
Cc1ccccc1NC(=N)Nc1ccccc1C,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C],0
CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O,[C][C][Branch1][C][C][S][C@@H1][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][Ring1][=Branch1][C@H1][Ring1][#Branch2][C][=Branch1][C][=O][O],0
O=[N+]([O-])OCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-],[O][=N+1][Branch1][C][O-1][O][C][C][N][Branch1][=Branch2][C][C][O][N+1][=Branch1][C][=O][O-1][C][C][O][N+1][=Branch1][C][=O][O-1],0
Cc1cc(C2CC2)nc(Nc2ccccc2)n1,[C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][S],0
CC(=O)c1cc2ccccc2s1,[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2],0
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,[C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][S][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][P][O][C],0
CC1(C)CC(N)CC(C)(C)N1,[C][C][Branch1][C][C][C][C][Branch1][C][N][C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#Branch2],0
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F,[O][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Cl][C][=C][Ring2][Ring1][C][F],0
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21,[C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][N][N][C][C][N][C][Branch1][C][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][#C][Ring2][Ring1][#Branch1],0
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,[C][C][Branch1][C][C][C][C@H1][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C@][Branch1][C][O][O][C@][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C@@H1][C][=C][C][=C][C][=C][C][NH1][C][Branch1][C][Br][=C][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][=Branch1][C][C@H1][Ring1][=N][N][Branch1][C][C][C][Ring2][Ring1][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring2][Ring2][#Branch1][Ring2][Ring1][#C],0
CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21,[C][N][Branch1][C][C][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S],0
NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O,[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Ring2][Ring1][Ring1][=Branch1][C][=O][=O],0
CCCCNc1ccc(C(=O)OCC[NH+](CC)CC)cc1,[C][C][C][C][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][NH1+1][Branch1][Ring1][C][C][C][C][C][=C][Ring1][S],0
O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12,[O][=C][C][Branch1][C][O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][Branch1][Ring1][Branch2],0
CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O,[C][C][C][C][=C][Branch1][=N][O][C][C][C][C][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][Ring1][O],1
C[N+](C)(C)Cc1ccccc1,[C][N+1][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCOC(=O)[C@]1(c2ccccc2)Oc2ccccc2[C@@H]1N,[C][C][O][C][=Branch1][C][=O][C@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][#C][N],0
CCOC(=O)c1nc(C(Cl)(Cl)Cl)n(-c2ccc(Cl)cc2Cl)n1,[C][C][O][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=Ring1][P],1
CCN(CC)CCOc1ccc(-c2nc3cc(Cl)ccc3s2)cc1,[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][Branch1][P][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring1][S],0
C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C,[C][C@@H1][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@][Ring1][O][Branch1][C][C][C][C][N][Ring1][=C][C],0
CC(=O)OCC=Cc1ccccc1,[C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](N)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N)C[C@@H]3N)O[C@@H]2[C@@H]1O,[C][N][C@@H1][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][N][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][O][C@H1][C][C@@H1][Branch1][C][N][C@@H1][Branch2][Ring1][Ring2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C][C@@H1][Ring1][=Branch2][N][O][C@@H1][Ring2][Ring1][C][C@@H1][Ring2][Ring2][C][O],0
COc1cccc(O)c1O,[C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][O],0
CC=O,[C][C][=O],0
ClC1=C(Cl)C1(Cl)Cl,[Cl][C][=C][Branch1][C][Cl][C][Ring1][Ring2][Branch1][C][Cl][Cl],0
S=C(NC1CCCCC1)NC1CCCCC1,[S][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1],0
C=C1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(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][Branch1][C][F][C@@H1][Branch1][C][O][C][C@][Ring2][Ring1][C][Branch1][C][C][C@@][Ring2][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=O],0
CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC,[C][C][C][Branch1][C][C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C],0
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
C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1,[C][C@H1][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
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],0
CCOc1ccc(NC(C)=O)cc1N,[C][C][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][N],0
O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1,[O][=C][Branch2][Ring1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,[N][=C][Branch2][Ring1][=C][N][C][C][C][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
CCCOc1nn(C(=O)[N-]S(=O)(=O)c2ccccc2C(=O)OC)c(=O)n1C,[C][C][C][O][C][=N][N][Branch2][Ring1][O][C][=Branch1][C][=O][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][C],0
CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1,[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][S],0
CC(=O)CCC=C(C)C,[C][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][C][C],0
CC(=O)CC(=O)Nc1ccc(S(=O)(=O)[O-])cc1,[C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2],0
CCCCCCCCc1ccc(S(=O)(=O)[O-])cc1,[C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2],0
Nc1ncnc(Nc2ccccc2)n1,[N][C][=N][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N],0
CCN(CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1,[C][C][N][Branch1][Ring1][C][C][C][C][O][C@H1][C][C][C@@][Branch1][C][C][C][=Branch2][Ring1][Branch2][=C][C][C@@H1][C@@H1][Ring1][#Branch1][C][C][C@][Branch1][C][C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][O][Ring1][#Branch1][C][Ring2][Ring1][Ring2],0
O=C(Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c(S(=O)(=O)[O-])cc2c1)c1ccccc1,[O][=C][Branch2][=Branch1][Ring2][N][C][=C][C][=C][C][Branch1][C][O][=C][Branch2][Ring2][Ring1][N][=N][C][=C][C][=C][Branch2][Ring1][Branch1][N][=N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][C][Ring2][Ring1][#C][=C][Ring2][Ring2][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1,[C][C][N+1][Branch2][Ring1][=C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring2][Ring1][=Branch2],0
CCOc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341,[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C@H1][C@@H1][Branch1][C][O][C][=C][C@H1][C@@H1][Branch1][Ring2][C][Ring1][N][N][Branch1][C][C][C][C][C@@][Ring1][S][Ring1][Branch2][Ring1][=N],0
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl,[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl],0
CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1,[C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][C][=C][Ring1][S],0
Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1,[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][NH1][Ring1][P],0
CC1=CC(=O)c2ccccc2C1=O,[C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O],1
O=C(O)CNC(=O)c1ccc(CO)o1,[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1],0
CNC(=O)Oc1ccccc1C(=O)Nc1ccccc1,[C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC[C@@H](C)[C@@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H]2CCCCNC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1,[C][C][C@@H1][Branch1][C][C][C@@H1][Branch1][C][N][C][=N][C@H1][Branch2][O][Ring2][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Branch2][Branch2][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][Branch1][C][C][C][N][N][C][Ring2][Branch1][N][=O][C@@H1][Branch1][C][C][C][C][C][S][Ring2][#Branch1][=C],0
COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F,[C][O][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=S][N][Branch1][C][C][C][C][=Branch1][C][=O][O][=C][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C][C][Branch1][C][F][Branch1][C][F][F],0
CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,[C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O],0
CC(=O)CC(C)(C)C1CCCCC1,[C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1],0
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],0
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,[C][C@H1][O][C@@H1][Branch2][#Branch1][Ring2][O][C@H1][C@@H1][Branch1][C][O][C][C@H1][Branch2][=Branch1][Ring1][O][C@H1][C@@H1][Branch1][C][O][C][C@H1][Branch2][Branch1][C][O][C@H1][C][C][C@@][Branch1][C][C][C@H1][Branch2][Ring2][C][C][C][C@@H1][C@@H1][Ring1][#Branch1][C][C][C@][Branch1][C][C][C@@H1][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@@H1][Ring2][Ring2][C][C][O][C@@H1][Ring2][Ring2][O][C][C][C@H1][Branch1][C][O][C@@H1][Ring2][Branch1][Ring2][O],1
CC(=O)SCc1ccco1,[C][C][=Branch1][C][=O][S][C][C][=C][C][=C][O][Ring1][Branch1],0
C[SiH](O[Si](C)(C)C)O[Si](C)(C)C,[C][SiH1][Branch1][#Branch2][O][Si][Branch1][C][C][Branch1][C][C][C][O][Si][Branch1][C][C][Branch1][C][C][C],0
Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1,[C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][N+1][=C][S][C][Branch1][N][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][=C][Ring1][N][C][C][Branch1][C][N][=N][Ring2][Ring1][Branch1],0
COC1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)C=CC=CC[C@@H](C)OC(=O)C[C@H]1OC(C)=O,[C][O][C][C@@H1][Branch2][Branch1][Branch2][O][C@@H1][O][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][S][O][C@H1][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][Branch1][N][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][O][Ring1][S][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Ring2][Ring1][O][O][C@@H1][Branch1][Ring2][C][C][=O][C][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][=C][C][=C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][C@H1][Ring2][Branch1][Ring2][O][C][Branch1][C][C][=O],0
CC/C(=N\OC/C=C/Cl)C1=C(O)CC(C2CCOCC2)CC1=O,[C][C][/C][=Branch1][#Branch1][=N][\O][C][/C][=C][/Cl][C][=C][Branch1][C][O][C][C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=N][=O],0
COC(=O)Nc1nc2ccccc2[nH]1,[C][O][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2],1
CCCCOC(=O)C(=O)OCCCC,[C][C][C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][C][C],0
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
Cc1ccccc1C(OCCN(C)C)c1ccccc1,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][O][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1,[O][=C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1],0
CNC(=O)C(c1ccccc1)c1ccccc1,[C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)O,[N][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O].[O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][Ring1][Branch1][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][O],0
O=c1oc2ccccc2c(O)c1C(CC(O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1,[O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][O][C][Branch2][Ring1][O][C][C][Branch1][C][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1],1
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12,[C][C@@H1][Branch1][C][O][C@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][Branch2][C@H1][C][C][C][O][Ring1][Branch1][S][C@H1][Ring1][S][Ring1][=N],0
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O,[C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][C][=C][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Ring1][=C][=O],0
Cc1ccc([N+](=O)[O-])cc1C,[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C],0
SCc1ccccc1,[S][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
Cl[Ni]Cl,[Cl][Ni][Cl],0
CCCCCCCCCCCCCCCCCCN(C)C,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][Branch1][C][C][C],0
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,[C][C@@H1][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][F][C@@H1][Branch1][C][O][C][C@][Ring2][Ring1][C][Branch1][C][C][C@H1][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][C][O],0
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N/Nc1cccc(-c2cccc(C(=O)O)c2)c1O,[C][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][/C][Ring1][=C][=N][/N][C][=C][C][=C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=C][Ring1][#C][O],0
CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I,[C][C][=Branch1][C][=O][N][C][=C][Branch1][C][I][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][C][I][C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][=C][Ring1][S][I],0
CCC(C)(C)c1ccc(CC(C)CN2C[C@@H](C)O[C@@H](C)C2)cc1,[C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][Branch1][C][C][C][N][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][C],0
CCC(C)C=O,[C][C][C][Branch1][C][C][C][=O],0
CCCCCCCCOCCCN,[C][C][C][C][C][C][C][C][O][C][C][C][N],0
CS(=O)(=O)Cl,[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl],0
CCCCCC(C)=O,[C][C][C][C][C][C][Branch1][C][C][=O],0
N[C@@H](CS)C(=O)O,[N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][O],0
CCCCCCCCCCCCCCCCCC(=O)O,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O],0
CCCCOP(=O)(O)OCCCC,[C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][C][C],0
Cc1ccc(C(=O)O)cc1[N+](=O)[O-],[C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1],0
CCCCCC[N+](=O)[O-],[C][C][C][C][C][C][N+1][=Branch1][C][=O][O-1],0
C=C[Si](OC(C)=O)(OC(C)=O)OC(C)=O,[C][=C][Si][Branch1][#Branch1][O][C][Branch1][C][C][=O][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O],0
CC(C)(C)c1ccc(S)cc1,[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][S][C][=C][Ring1][#Branch1],0
Oc1cc(O)c(Cl)cc1Cl,[O][C][=C][C][Branch1][C][O][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl],0
CCCCC(C)C(=O)O,[C][C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O],0
CCOC(=O)OCC,[C][C][O][C][=Branch1][C][=O][O][C][C],0
COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1,[C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][P][O][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][Ring1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][N],0
NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O,[N][C][C@H1][O][C@H1][Branch2][Ring2][=Branch2][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch2][Ring1][Branch1][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][N][C@H1][Ring1][#Branch2][O][C@H1][Branch1][C][N][C][C@@H1][Ring2][Ring1][Ring2][N][C@H1][Branch1][C][N][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][=C][O],0
C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6CC(O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,[C][C@H1][C][C][C@@H1][C@@H1][Branch1][C][C][C@H1][C@H1][Branch2][#Branch1][=C][C][C@H1][C@@H1][C][C][=C][C][C][Branch2][Branch1][N][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Ring2][Ring1][Branch1][O][C@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C][C][C@][Ring2][Ring2][#Branch1][Branch1][C][C][C@H1][Ring2][Ring2][N][C][C][C@][Ring2][Branch1][Ring1][Ring2][Ring2][S][C][N][Ring2][Branch1][Branch2][C][Ring2][Branch1][N],0
CCC(=O)OCCOc1ccccc1,[C][C][C][=Branch1][C][=O][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCOC(=O)NNc1nncc2ccccc12,[C][C][O][C][=Branch1][C][=O][N][N][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],0
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C=CC[C@@H]12,[C][C@][C][C][C][=Branch1][C][=O][C][C@@H1][Ring1][#Branch1][C][C][C@@H1][C@@H1][Ring1][O][C][C][C@][Branch1][C][C][C][=C][C][C@@H1][Ring1][#Branch2][Ring1][=Branch1],0
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
CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1,[C][C][=Branch1][C][=O][S][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC(C)Br,[C][C][Branch1][C][C][Br],0
S=C(SSC(=S)N1CCCCC1)N1CCCCC1,[S][=C][Branch1][#C][S][S][C][=Branch1][C][=S][N][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1],0
COCC(C)O,[C][O][C][C][Branch1][C][C][O],0
N#CCCCC(C#N)CCC#N,[N][#C][C][C][C][C][Branch1][Ring1][C][#N][C][C][C][#N],0
COC(=O)Nc1ccc(Cl)c(Cl)c1,[C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2],0
C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12,[C][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C@][Branch1][C][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][O][C@@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@@H1][Ring1][#C][C@@H1][Branch1][C][O][C@H1][Ring2][Ring1][#C][Ring2][Ring1][Branch1],0
CC1CC(C)C(=O)C1=O,[C][C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1][=O],0
CC/C=C\CCOC(=O)c1ccccc1,[C][C][/C][=C][\C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CO[Si](C)(OC)c1ccccc1,[C][O][Si][Branch1][C][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4C[C@H]([C@@H]5O[C@H]45)[C@@H]3[C@@]1(Cl)C2(Cl)Cl,[Cl][C][=C][Branch1][C][Cl][C@][Branch1][C][Cl][C@@H1][C@H1][C][C@H1][Branch1][Branch2][C@@H1][O][C@H1][Ring1][=Branch1][Ring1][Ring1][C@@H1][Ring1][Branch2][C@@][Ring1][=C][Branch1][C][Cl][C][Ring1][=N][Branch1][C][Cl][Cl],0
NC(=O)N=NC(N)=O,[N][C][=Branch1][C][=O][N][=N][C][Branch1][C][N][=O],0
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O,[C][C][Branch1][C][C][C@@H1][C][C][C@@H1][Branch1][C][C][C][C@H1][Ring1][#Branch1][O],0
COC(C)CCO,[C][O][C][Branch1][C][C][C][C][O],0
CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1,[C][C][N][Branch1][Ring1][C][C][C][C][O][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][O],0
O=C(O)c1ccc(NC2OC[C@@H](O)[C@H](O)[C@H]2O)cc1,[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][P][N][C][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][=C][Ring1][S],0
CCCCCCCCCCCCCCC(Br)C(=O)O,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][Br][C][=Branch1][C][=O][O],0
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,[C][C@H1][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][=C][C@][Ring1][#Branch1][Branch1][C][C][C@@][Ring1][N][Branch1][C][Cl][C@@H1][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
O=C1CCCCO1,[O][=C][C][C][C][C][O][Ring1][=Branch1],0
CC(C)(c1ccccc1)c1ccc(O)c(C(C)(C)c2ccccc2)c1,[C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][Branch1][S][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S],0
CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1,[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch2][C][C][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][=N],0
CC(N)=O,[C][C][Branch1][C][N][=O],0
CC(=O)C(C)O,[C][C][=Branch1][C][=O][C][Branch1][C][C][O],0
CCOc1cc(OCC)c(C(=O)CCC(=O)O)cc1OCC,[C][C][O][C][=C][C][Branch1][Ring2][O][C][C][=C][Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][S][O][C][C],0
Nc1c2c(nc3ccccc13)CCCC2,[N][C][=C][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][Ring1][=N],0
CCC(=O)N(c1ccccc1)C1CCN(Cc2cccs2)CC1,[C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N],0
CCCOCC(C)O,[C][C][C][O][C][C][Branch1][C][C][O],0
O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,[O][=C][N][Branch2][Ring1][=Branch2][C][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][N][=C][C][=C][C][=C][N][Ring2][Ring1][=Branch2][Ring1][=Branch1],0
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)OC/C=C(\C)CCC=C(C)C,[C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][C][=Branch1][C][=O][O][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C],0
CC(C)(C)C(=O)Cl,[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][Cl],0
BrC/C=C/CBr,[Br][C][/C][=C][/C][Br],0
CCN(CC)c1ccc(N=Nc2ccc(S(=O)(=O)N(C)C)cc2)c(S(=O)(=O)NCC[n+]2ccccc2)c1,[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][=N][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][S],0
CC(=O)Nc1ccc(C)c(Cl)c1,[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2],0
C(CCOCC1CO1)COCC1CO1,[C][Branch1][#Branch2][C][C][O][C][C][C][O][Ring1][Ring1][C][O][C][C][C][O][Ring1][Ring1],0
O=Cc1cccc(Oc2ccccc2)c1,[O][=C][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N],0
Oc1ccc2c(c1)Cc1ccccc1-2,[O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2],1
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,[C][C@][C][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C@@H1][C@@H1][Ring1][O][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O],0
CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O,[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][C][C][Ring2][Ring1][C][O][C][Branch1][C][C][=O],0
CCCCC(CC)C(=O)OCCOCCOCCOCCOC(=O)C(CC)CCCC,[C][C][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][C][O][C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][C][C][C],0
Nc1ccc(Br)cc1,[N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1],0
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,[C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][O][C@H1][C][C@@H1][Branch1][C][C][C][=C][C][=C][C@H1][Branch1][C][C][C@H1][Branch1][P][C][C][C@@H1][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][Ring1][Branch2][C@H1][Ring1][P][Ring2][Ring1][=Branch1],0
BrCBr,[Br][C][Br],0
CCc1cccc2c(CCO)c[nH]c12,[C][C][C][=C][C][=C][C][C][Branch1][Ring2][C][C][O][=C][NH1][C][Ring1][N][=Ring1][Branch2],0
CC(Cl)(Cl)C(=O)O,[C][C][Branch1][C][Cl][Branch1][C][Cl][C][=Branch1][C][=O][O],0
NCCCN1CCOCC1,[N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1],0
C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H]([C@@H]2CCNC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC1=O,[C][C@@H1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][N][C][=Branch1][C][=O][C@H1][Branch1][N][C@@H1][C][C][N][C][Branch1][C][N][=N][Ring1][#Branch1][N][C][=Branch1][C][=O][/C][=Branch1][Branch2][=C][/N][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][N][C][C][C][N][N][C][Ring2][Ring2][N][=O],0
O=Cc1cccc([N+](=O)[O-])c1,[O][=C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2],0
CC1=CC[C@H](CC=O)C1(C)C,[C][C][=C][C][C@H1][Branch1][Ring2][C][C][=O][C][Ring1][Branch2][Branch1][C][C][C],0
OCC(CO)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1,[O][C][C][Branch1][Ring1][C][O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][N][C][=C][C][=N][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N],0
CCC(C)c1ccc(O)cc1,[C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1],0
C=CCCCCCCCCC(=O)OC,[C][=C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C],0
CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1,[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][Ring1][=Branch1],0
COC(=O)C=C(C)N,[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N],0
C[N+]1(C)[C@@H]2CC(OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12,[C][N+1][Branch1][C][C][C@@H1][C][C][Branch2][Ring1][#Branch2][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][C][C@H1][Ring2][Ring1][=Branch1][C@@H1][O][C@@H1][Ring1][Ring1][Ring2][Ring1][#Branch1],0
CC(S)C(C)S,[C][C][Branch1][C][S][C][Branch1][C][C][S],0
O=C1CCCCC1,[O][=C][C][C][C][C][C][Ring1][=Branch1],0
COc1cc(NC(=O)CC(C)=O)c(OC)cc1Cl,[C][O][C][=C][C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=O][=C][Branch1][Ring1][O][C][C][=C][Ring1][#C][Cl],0
NC(CCC(=O)O)C(=O)O,[N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O],0
CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21,[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2],0
CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,[C][N][C][C][N][Branch2][Ring1][#Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2],0
C=CC(C)(CCC=C(C)C)OC(=O)C(C)C,[C][=C][C][Branch1][C][C][Branch1][=Branch2][C][C][C][=C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C],0
Cc1occc1SSc1ccoc1C,[C][C][O][C][=C][C][=Ring1][Branch1][S][S][C][C][=C][O][C][=Ring1][Branch1][C],1
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,[C][C@][C][C][C][=Branch1][C][=O][C][C@@H1][Ring1][#Branch1][C][C][C@@H1][C@@H1][Ring1][O][C][C][C@@][Branch1][C][C][C@H1][Ring1][#Branch1][C][C][C@][Ring1][=Branch1][Branch1][C][C][O],0
C=CC(=O)OCCOCC(CC)(COCCOC(=O)C=C)COCCOC(=O)C=C,[C][=C][C][=Branch1][C][=O][O][C][C][O][C][C][Branch1][Ring1][C][C][Branch1][N][C][O][C][C][O][C][=Branch1][C][=O][C][=C][C][O][C][C][O][C][=Branch1][C][=O][C][=C],0
CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]32,[C][C][C@][C][C][C][N][C][C][C][=C][Branch2][Ring1][=Branch1][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][C@@H1][Ring1][S][Ring2][Ring1][Ring2],1
CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2,[C][N][C][C][C][C][Ring1][Branch1][C][C][Branch2][Ring1][Branch2][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1],1
O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)N1C[C@@H](O)[C@@H](O)C1)c1cc2cc(Cl)ccc2[nH]1,[O][=C][Branch2][Ring2][Ring1][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2],0
COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1,[C][O][C][=C][C][=C][Branch1][O][C][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C][=C][Ring1][N][O][C][C][C][C][C][Ring1][Branch1],0
CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCO,[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][O],0
CC(C)(c1ccccc1)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)cc1,[C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][S][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1],0
CCOC(=O)CC1(C)OCC(C)O1,[C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][O][C][C][Branch1][C][C][O][Ring1][#Branch1],0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,[C][N][Branch2][Ring1][=Branch1][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C],1
CC(=O)CCc1ccccc1,[C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C,[C][C][Branch1][C][C][N+1][Branch1][C][C][Branch2][Ring1][N][C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][Branch1][C][C][C],0
N[C@@H](Cc1cnc[nH]1)C(=O)O,[N][C@@H1][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][O],0
Nc1ccc2cc3ccccc3cc2c1,[N][C][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][Ring1][#Branch2][=C][Ring1][=C],1
Oc1ccc(O)c2c(O)cccc12,[O][C][=C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][N][Ring1][#Branch1],0
N#CC(Br)(Br)C(N)=O,[N][#C][C][Branch1][C][Br][Branch1][C][Br][C][Branch1][C][N][=O],0
O=C(CCN1CC1)OCC(CO)(COC(=O)CCN1CC1)COC(=O)CCN1CC1,[O][=C][Branch1][Branch2][C][C][N][C][C][Ring1][Ring1][O][C][C][Branch1][Ring1][C][O][Branch1][=C][C][O][C][=Branch1][C][=O][C][C][N][C][C][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][C][N][C][C][Ring1][Ring1],0
Nc1ccc(C(=O)OCC(O)CO)cc1,[N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O][C][=C][Ring1][=C],0
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2,[C][C][Branch1][C][C][C@@H1][C][C][C@@][Ring1][=Branch1][Branch1][C][C][C@H1][Branch1][C][O][C][Ring1][Branch2],0
O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1,[O][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
OCC(S)CS,[O][C][C][Branch1][C][S][C][S],0
C/N=C(\NC)NCc1ccccc1.C/N=C(\NC)NCc1ccccc1,[C][/N][=C][Branch1][Ring1][\N][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[C][/N][=C][Branch1][Ring1][\N][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
Cc1cc(CC(=O)O)c(C)n1-c1ccc(Cl)cc1,[C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Branch1][C][C][N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
O=NN1CCCCCCC1,[O][=N][N][C][C][C][C][C][C][C][Ring1][Branch2],0
Nc1ccc(C(=O)Nc2ccccc2N)cc1,[N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S],1
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
O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12,[O][=C][Branch1][C][O][C][=N][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1],0
CC1C=[C-]C=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn+],[C][C][C][=C-1][C][=C][Ring1][Branch1].[C-1][#O+1].[C-1][#O+1].[C-1][#O+1].[Mn+1],0
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
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
Cc1cc(C(=C2C=CC(=Nc3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)O)C=C2)c2ccc(Nc3ccc(S(=O)(=O)[O-])cc3)cc2)ccc1N,[C][C][=C][C][Branch2][=Branch1][#Branch2][C][=Branch2][Ring2][Branch2][=C][C][=C][C][=Branch2][Ring1][N][=N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][=C][Ring1][P][=C][C][=C][Ring2][Ring2][=N][N],0
O=C1CC2(CCCC2)CC(=O)N1,[O][=C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][=Branch1][C][=O][N][Ring1][O],0
COS(=O)(=O)OC,[C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C],0
O=C[O-],[O][=C][O-1],0
Nc1c(S(=O)(=O)O)cc(Br)c2c1C(=O)c1ccccc1C2=O,[N][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Branch1][C][Br][C][=C][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O],0
CC(=O)O[Si](C)(OC(C)=O)OC(C)=O,[C][C][=Branch1][C][=O][O][Si][Branch1][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O],0
CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,[C][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2][=Branch1][C][=O][=O],0
O=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O,[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O].[O][C][C][=C][C][Branch2][Ring1][#Branch2][C][Branch1][C][O][C][N][C][C][C][C][C][C][O][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][O][O],0
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-],[N][C@@H1][Branch2][Ring1][P][C][C][=C][C][Branch1][C][I][=C][Branch1][S][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][I][=C][Ring1][Branch2][C][Branch1][C][I][=C][Ring1][P][C][=Branch1][C][=O][O-1],0
CCc1ccc(O)c(OC)c1,[C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2],0
CC(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,[C][C][Branch1][C][O][C@H1][C][C][C@H1][C@@H1][C][C][C@@H1][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C][C][C@][Ring2][Ring1][Ring1][Ring1][S][C],0
C#Cc1ccc(-c2ccccc2F)cc1,[C][#C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][=N],0
CC(O)c1ccccc1,[C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCNc1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(N(CC)CC)cc2)c2ccccc12,[C][C][N][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch2][Ring1][C][=C][C][=C][C][=Branch1][Branch2][=N+1][Branch1][Ring1][C][C][C][C][C][=C][Ring1][O][C][=C][C][=C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring2][Ring1][P][Ring1][=Branch1],0
CNC(=O)O/N=C/C(C)(C)S(C)=O,[C][N][C][=Branch1][C][=O][O][/N][=C][/C][Branch1][C][C][Branch1][C][C][S][Branch1][C][C][=O],0
OCCOCCOCCOCCO,[O][C][C][O][C][C][O][C][C][O][C][C][O],0
CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,[C][C][C][C][=Branch1][C][=O][O][C@][Branch1][#Branch1][C][=Branch1][C][=O][C][O][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C@@H1][Branch1][C][O][C][C@@][Ring1][P][Ring2][Ring1][Branch2][C],0
COC(=O)C(Cl)C(=O)OC,[C][O][C][=Branch1][C][=O][C][Branch1][C][Cl][C][=Branch1][C][=O][O][C],0
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccc(N)n3CCO)CS[C@H]12)c1csc(N)n1,[C][O][/N][=C][Branch2][Ring2][=C][\C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#C][C][N+1][=C][C][=C][Branch1][C][N][N][Ring1][=Branch1][C][C][O][C][S][C@H1][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1],0
CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,[C][C][N][C@H1][C][C@H1][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=Ring1][=Branch2][Ring1][S],0
CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1,[C][C][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O].[C][C][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O],0
C=CC(=O)OCCCCOC(=O)C=C,[C][=C][C][=Branch1][C][=O][O][C][C][C][C][O][C][=Branch1][C][=O][C][=C],0
Cc1c(O)c(=O)ccn1C,[C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][=C][N][Ring1][Branch2][C],0
C=CCCCCCCCCC(=O)OCCCC,[C][=C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C][C],0
Cc1cc(O)c2ccccc2c1O,[C][C][=C][C][Branch1][C][O][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][O],0
CN(C)C(=O)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO2)CC1,[C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][N][Branch2][Ring2][#Branch2][C][C][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring2][Ring1][=Branch1][C][C][Ring2][Ring2][Ring2],0
COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2,[C][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C@H1][C][=Branch1][C][=O][C][=C][C@@][Branch1][C][C][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][N][C][C][C@@][Ring1][S][Branch1][C][C][C@][Ring2][Ring1][=Branch1][Branch1][C][C][C][C][Ring2][Ring1][P],0
Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O,[C][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=C][=O],1
NC(=O)c1ccncc1,[N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1],0
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,[C][O][C][=Branch1][C][=O][C@H1][C@H1][C][C@@H1][C][NH1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Ring1][O][C][C][N][Ring1][#C][C][C@H1][Ring2][Ring1][Ring1][C][C@@H1][Branch2][Ring1][#Branch2][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C@@H1][Ring2][Ring2][=Branch1][O][C],0
O=C(O)c1snc(Cl)c1Cl,[O][=C][Branch1][C][O][C][S][N][=C][Branch1][C][Cl][C][=Ring1][=Branch1][Cl],0
Cc1ccc(C)c2ccccc12,[C][C][=C][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1],0
CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,[C][C][O][C][=N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][N][Ring2][Ring1][Branch2][C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][P],0
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCc1ccccc1,[C][C@H1][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@][Ring1][O][Branch1][C][C][C][C][N][Ring1][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],1
CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1,[C][C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][Branch2][Ring1][C][C][C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#Branch2][O][Ring1][=C],0
NC(=O)NO,[N][C][=Branch1][C][=O][N][O],0
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1,[N][C][=Branch1][C][=O][C][N][=C][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][N][=Ring1][=C],1
COc1cc(S(N)(=O)=O)cc(C(=O)O)c1OC,[C][O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=N][O][C],0
COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1,[C][O][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch2][Ring1][C][/C][=C][/C@@H1][Branch1][C][O][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][O-1][=C][Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1],0
CCCCCCCCCCCC(=O)N(C)CC(=O)O,[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][O],0
CCOC(=O)C(C)C(C)=O,[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][Branch1][C][C][=O],0
COc1cc(C)nc(-n2nc(C)cc2OC)n1,[C][O][C][=C][C][Branch1][C][C][=N][C][Branch1][=N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][O][C][=N][Ring1][#C],0
OCc1c2ccccc2cc2ccccc12,[O][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1],0
O=C1CCCCCCCCCCC1,[O][=C][C][C][C][C][C][C][C][C][C][C][C][Ring1][N],0
CC(C)=CCO,[C][C][Branch1][C][C][=C][C][O],0
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,[F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F],0
CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,[C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][=C][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][=C][C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][#N][=C][Ring1][P],0
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],0
COc1cc(S(C)=O)ccc1-c1nc2ncccc2[nH]1,[C][O][C][=C][C][Branch1][=Branch1][S][Branch1][C][C][=O][=C][C][=C][Ring1][=Branch2][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2],0
CN(C)CCO,[C][N][Branch1][C][C][C][C][O],0
CCCN(CCC)CCc1c[nH]c2ccccc12,[C][C][C][N][Branch1][Ring2][C][C][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1],0
OCc1ccco1,[O][C][C][=C][C][=C][O][Ring1][Branch1],0
CC1(C)OC[C@@H]2O[C@@]3(C(=O)O)OC(C)(C)O[C@H]3[C@@H]2O1,[C][C][Branch1][C][C][O][C][C@@H1][O][C@@][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][Branch1][C][C][Branch1][C][C][O][C@H1][Ring1][#Branch2][C@@H1][Ring1][=N][O][Ring2][Ring1][C],0
COc1ccc(C=CC(=O)c2ccc(OC)cc2OC)cc1,[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring2],0
c1ccc(OCCOc2ccccc2)cc1,[C][=C][C][=C][Branch1][=N][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S],0
CCCCCCCCN1C=CN(C)C1,[C][C][C][C][C][C][C][C][N][C][=C][N][Branch1][C][C][C][Ring1][=Branch1],0
C=COC(=O)C(C)(CC)CCC(C)C,[C][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][Ring1][C][C][C][C][C][Branch1][C][C][C],0
CCCCCCCCCCCC[N+](C)(C)C,[C][C][C][C][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C],0
CCCOC/C(=N\c1ccc(Cl)cc1C(F)(F)F)n1ccnc1,[C][C][C][O][C][/C][=Branch2][Ring1][Branch1][=N][\C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][N][C][=C][N][=C][Ring1][Branch1],0
CC=Cc1ccc2c(c1)OCO2,[C][C][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1],0
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,[C][C][C][C][N][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
C[C@H]1C[C@@H](O)CC(C)(C)C1,[C][C@H1][C][C@@H1][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2],0
COc1ccc(CO)cc1,[C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2],0
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,[C][C@][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C@@H1][C@@H1][Ring1][O][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O],0
COCCO,[C][O][C][C][O],0
N#CCC(=O)O,[N][#C][C][C][=Branch1][C][=O][O],0
OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,[O][C][C@H1][O][C@][Branch1][C][O][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][O],0
O=[N+]([O-])c1ccc(F)c(Cl)c1,[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2],0
C=CC(=C)C,[C][=C][C][=Branch1][C][=C][C],0
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O,[C][N][C@@H1][C@H1][Branch2][Branch1][Branch1][O][C@H1][C@H1][Branch2][Ring1][P][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=N][N][C@@H1][Branch1][C][O][C@@H1][Ring1][=N][N][C][=Branch1][C][=N][N][O][C@@H1][Branch1][C][C][C@][Ring2][Ring1][Branch2][Branch1][C][O][C][O][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][Branch1][O].[C][N][C@@H1][C@H1][Branch2][Branch1][Branch1][O][C@H1][C@H1][Branch2][Ring1][P][O][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch1][N][C][=Branch1][C][=N][N][C@@H1][Branch1][C][O][C@@H1][Ring1][=N][N][C][=Branch1][C][=N][N][O][C@@H1][Branch1][C][C][C@][Ring2][Ring1][Branch2][Branch1][C][O][C][O][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][Branch1][O],0
CCCCCCCC(=O)OCC(O)CO,[C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O],0
O=c1[nH]sc2ccccc12,[O][=C][NH1][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1],0
NC(=O)CF,[N][C][=Branch1][C][=O][C][F],0
COc1ccc2cc(C=O)ccc2c1,[C][O][C][=C][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][C][Ring1][Branch2][=C][Ring1][N],0
C1CC2OC2CC1C1CO1,[C][C][C][O][C][Ring1][Ring1][C][C][Ring1][#Branch1][C][C][O][Ring1][Ring1],0
C=C(C)C(=O)OCCNC(C)(C)C,[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][N][C][Branch1][C][C][Branch1][C][C][C],0
CCCCCCCO,[C][C][C][C][C][C][C][O],0
[As]#[In],[As][#In],0
COc1ccc(O)c(C(C)(C)C)c1,[C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][O],0
Nc1nc2ccc(OC(F)(F)F)cc2s1,[N][C][=N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][S][Ring1][=C],1
ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl,[Cl][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][C][C][Branch1][C][Cl][C][Branch1][C][Cl][C][C][Ring1][#Branch1][C][Ring1][=N][Branch1][C][Cl][C][Ring1][N][Branch1][C][Cl][Cl],0
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(N)n1,[C][O][/N][=C][Branch2][Ring2][=C][\C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][Branch1][#C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][C][S][C@H1][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1],0
Cc1ccccc1-n1c(C)nc2ccccc2c1=O,[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O],0
N#Cc1ccc(N(CC(N)=O)CC(F)(F)F)cc1C(F)(F)F,[N][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][S][C][Branch1][C][F][Branch1][C][F][F],0
CNC(C)Cc1ccccc1OC,[C][N][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C],0
N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-],[N][#C][S][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
CC(C)(S)C(=O)N[C@@H](CS)C(=O)O,[C][C][Branch1][C][C][Branch1][C][S][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][O],0
CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,[C][S][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][Cl],0
CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1,[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][S][C][Branch1][C][F][Branch1][C][Cl][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCCC(=O)OC(C)(C)Cc1ccccc1,[C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1,[O][=C][Branch1][Branch2][O][C][C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2],0
CN(C)c1ccc(/N=N/c2ccccc2C(=O)O)cc1,[C][N][Branch1][C][C][C][=C][C][=C][Branch1][S][/N][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][P],0
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,[C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@H1][Branch1][S][S][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][Ring1][#Branch1][C][=C][C][=C][C][Branch2][Ring1][Ring2][/C][=C][/C][=C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1],0
Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N,[C][C][=C][C][=N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][S+1][=C][Ring1][=N][C][=C][Ring1][P][N],1
NC(=O)N1c2ccccc2C=Cc2ccccc21,[N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C],0
CCCCCCCCCCCCNC(=N)N,[C][C][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=N][N],0
O=C(O)c1cccnc1C(=O)O,[O][=C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][O],0
O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,[O][=C][C][C][C@@][Branch1][C][O][C@H1][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C@@][Ring1][N][Branch1][N][C][C][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C@H1][Ring2][Ring1][#Branch1][O][Ring1][N],0
O=C(Nc1ccccc1)Nc1cnns1,[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=N][S][Ring1][Branch1],0
COc1nccnc1NS(=O)(=O)c1ccc(N)cc1,[C][O][C][=N][C][=C][N][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1],0
O=C([O-])c1cc2cc(Cc3cccnc3)ccc2o1,[O][=C][Branch1][C][O-1][C][=C][C][=C][C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][=N][O][Ring1][S],0
CN1CCN(C(c2ccccc2)c2ccccc2)CC1,[C][N][C][C][N][Branch2][Ring1][Ring2][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1],0
NCC(=O)O,[N][C][C][=Branch1][C][=O][O],0
CO[C@@H]1[C@@H](OC)[C@H](C)[C@@](O)(CC(=O)[O-])O[C@H]1[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C)C[C@@H]4OC4C[C@H](OC)[C@@H](OC)[C@H](C)O4)O3)O2)C[C@H](O)[C@H]1C,[C][O][C@@H1][C@@H1][Branch1][Ring1][O][C][C@H1][Branch1][C][C][C@@][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][O][C@H1][Ring1][=C][C@H1][Branch1][C][C][C@H1][O][C@@][Branch2][=Branch1][N][C][C][C@@][Branch1][C][C][Branch2][Branch1][#C][C@H1][C][C][C@@][Branch1][C][C][Branch2][Ring2][P][C@@H1][O][C@@H1][Branch2][Ring1][Ring1][C@H1][O][C@][Branch1][C][C][Branch1][C][O][C@H1][Branch1][C][C][C][C@@H1][Ring1][=Branch2][C][C][C@@H1][Ring1][#C][O][C][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][O][C][C@H1][Branch1][C][C][O][Ring1][O][O][Ring2][Ring1][P][O][Ring2][Ring2][#Branch1][C][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][=N][C],1
CNNCc1ccc(C(=O)NC(C)C)cc1,[C][N][N][C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][N],0
ClCCOCCOCCCl,[Cl][C][C][O][C][C][O][C][C][Cl],0
CC1=C(/C=C/C(C)=C/C=C\C(C)=C\C(=O)O)C(C)(C)CCC1,[C][C][=C][Branch2][Ring1][Ring2][/C][=C][/C][Branch1][C][C][=C][/C][=C][\C][Branch1][C][C][=C][\C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Branch1],0
N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1,[N][=C][C][=C][C][=Branch2][Ring1][#Branch2][=C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1],1
Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,[O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C@H1][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C@H1][Branch1][C][O][C][Ring1][S],0
C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,[C][C@H1][O][C@@H1][Branch2][#Branch1][#Branch1][O][C@H1][C@@H1][Branch1][C][O][C][C@H1][Branch2][=Branch1][=Branch1][O][C@H1][C@@H1][Branch1][C][O][C][C@H1][Branch2][Branch1][Branch1][O][C@H1][C][C][C@@][Branch1][C][C][C@H1][Branch2][Ring2][Branch1][C][C][C@@H1][C@@H1][Ring1][#Branch1][C][C@@H1][Branch1][C][O][C@][Branch1][C][C][C@@H1][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@@H1][Ring2][Ring2][Ring1][C][O][C@@H1][Ring2][Ring2][N][C][C][C@H1][Branch1][C][O][C@@H1][Ring2][Branch1][Branch1][O],1
CCCCCCCC/C=C\CCCCCCCCN,[C][C][C][C][C][C][C][C][/C][=C][\C][C][C][C][C][C][C][C][N],0
CC1OC1C1CCC2(C)OC2C1,[C][C][O][C][Ring1][Ring1][C][C][C][C][Branch1][C][C][O][C][Ring1][Ring2][C][Ring1][Branch2],0
O=C(CS)Nc1ccccc1,[O][=C][Branch1][Ring1][C][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1],1
O=C(Cl)c1c(Cl)cccc1Cl,[O][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl],0
O=C([O-])c1ccccc1,[O][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
O=C1Nc2ccc([N+](=O)[O-])cc2C1=O,[O][=C][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring1][N][=O],0
CC(Cl)C(Cl)Cl,[C][C][Branch1][C][Cl][C][Branch1][C][Cl][Cl],0
Nc1cccc2ccccc12,[N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1],0
CCOC(=O)CN1CCCC1=O,[C][C][O][C][=Branch1][C][=O][C][N][C][C][C][C][Ring1][Branch1][=O],0
O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1,[O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][N],0
OCC(O)CN1CCN(c2ccccc2)CC1,[O][C][C][Branch1][C][O][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N],0
C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O,[C][C@][C][C][C@@H1][C][=C][C][=C][Branch1][#C][O][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][S][C][C][C@H1][Ring2][Ring1][Ring2][C@@H1][Ring2][Ring1][Branch2][C][C][C@@H1][Ring2][Ring1][O][O][P][=Branch1][C][=O][Branch1][C][O][O],1
OC1OC[C@@H](O)[C@H](O)[C@@H]1O,[O][C][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][Branch2][O],0
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
CCOC(=O)COc1ccc2c(C)c(CCN(CC)CC)c(=O)oc2c1Cl,[C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Branch1][#Branch2][C][C][N][Branch1][Ring1][C][C][C][C][C][=Branch1][C][=O][O][C][Ring1][#C][=C][Ring2][Ring1][Ring1][Cl],0
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O,[C][C][Branch1][C][C][=C][C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O],0
O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,[O][=C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1,[C][O][C][=C][C][=C][Branch2][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C@@][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch2][Ring1][Ring2][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=Branch2],0
CCCCOCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl,[C][C][C][C][O][C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl],0
CC(C(O)c1ccccc1)N(C)C/C=C/c1ccccc1,[C][C][Branch1][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1],0
OCCNCCO,[O][C][C][N][C][C][O],0
CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,[C][C][Branch1][C][C][N][C][C][N][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C@H1][C][O][C@][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O][C][C][Ring2][Ring1][P],0
Cc1cccc(C(=O)O)c1,[C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2],0
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
CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1,[C][C][N][Branch1][Ring1][C][C][C][C][N][C][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCCCCCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)F,[C][C][C][C][C][C][N][C][=C][N+1][Branch1][C][C][=C][Ring1][=Branch1].[O][=S][=Branch1][C][=O][Branch1][C][O-1][C][Branch1][C][F][Branch1][C][F][F],0
CCC(=O)O.CCC(=O)O.O=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1,[C][C][C][=Branch1][C][=O][O].[C][C][C][=Branch1][C][=O][O].[O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][Ring1][O][N][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][C][N][Ring1][Branch1][=C][Ring1][O],0
CCCOc1ccc2nc(NC(=O)OC)sc2c1,[C][C][C][O][C][=C][C][=C][N][=C][Branch1][Branch2][N][C][=Branch1][C][=O][O][C][S][C][Ring1][#Branch2][=C][Ring1][=C],1
Nc1ccc([N+](=O)[O-])cc1N,[N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N],0
COc1cc(O)cc(O)c1,[C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2],0
CC(=O)[C@H]1[C@H](C#N)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,[C][C][=Branch1][C][=O][C@H1][C@H1][Branch1][Ring1][C][#N][C][C@H1][C@@H1][C][C][=C][C][C@@H1][Branch1][C][O][C][C][C@][Ring1][#Branch1][Branch1][C][C][C@H1][Ring1][N][C][C][C@@][Ring1][S][Ring2][Ring1][Branch1][C],0
CC=C(C)C(=O)OCCC(C)CCC=C(C)C,[C][C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C],0
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
CCCOc1sc(C(=O)N2CCC(c3cc(CN)ccc3F)CC2)c(C)c1Br,[C][C][C][O][C][S][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=C][C][Branch1][Ring1][C][N][=C][C][=C][Ring1][Branch2][F][C][C][Ring1][#C][=C][Branch1][C][C][C][=Ring2][Ring1][#Branch1][Br],0
Cc1cc(O)c(Cl)c(C)c1Cl,[C][C][=C][C][Branch1][C][O][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][=Branch2][Cl],0
CC(O)CO,[C][C][Branch1][C][O][C][O],0
CCCN1CCC[C@@H]2Cc3n[nH]cc3C[C@H]21,[C][C][C][N][C][C][C][C@@H1][C][C][=N][NH1][C][=C][Ring1][Branch1][C][C@H1][Ring1][=Branch2][Ring1][=N],0
CC(C)c1cccc(C(C)C)c1,[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2],0
C[C@@H]1CN(CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1,[C][C@@H1][C][N][Branch2][Ring1][#Branch1][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][C@H1][Branch1][C][C][N][Ring2][Ring1][#Branch1],0
CCO[C@@H]1O[C@H](C(COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O,[C][C][O][C@@H1][O][C@H1][Branch2][Ring1][=Branch2][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][#C][O],0
[Ca+2].[Cl-].[Cl-],[Ca+2].[Cl-1].[Cl-1],0
C1CCCCCCCCCCC1,[C][C][C][C][C][C][C][C][C][C][C][C][Ring1][N],0
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O,[C][O][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=Branch1][C][=O][O],0
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2,[C][C][C@H1][Branch1][C][C][C@H1][O][C@][Branch1][#Branch1][C][C][C@@H1][Ring1][=Branch1][C][C][C@@H1][C][C@@H1][Branch2][#Branch1][#Branch1][C][C][=C][Branch1][C][C][C@@H1][Branch2][Ring2][Branch2][O][C@H1][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch2][Ring1][Ring2][O][C@H1][C][C@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][C][O][Ring1][#Branch2][C@H1][Branch1][C][C][O][Ring2][Ring1][Ring2][C@@H1][Branch1][C][C][C][=C][C][=C][C][O][C@@H1][C@H1][Branch1][C][O][C][Branch1][C][C][=C][C@@H1][Branch1][=Branch2][C][=Branch1][C][=O][O][Ring2][Ring2][#C][C@][Ring1][=C][Ring1][O][O][O][Ring2][Branch1][Branch2],0
CCO[C@H]1O[C@@H]2OC3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3,[C][C][O][C@H1][O][C@@H1][O][C][Branch1][C][C][C][C][C@H1][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][Branch1][C@H1][Ring1][#C][C][C@@][Ring1][#C][Ring1][=Branch2][O][O][Ring1][#C],0
CN(C)c1ccc(C(=N)c2ccc(N(C)C)cc2)cc1,[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring1][P],1
CCCCCCCC(=O)Cl,[C][C][C][C][C][C][C][C][=Branch1][C][=O][Cl],0
O=S(=O)([O-])c1ccc2ccccc2c1,[O][=S][=Branch1][C][=O][Branch1][C][O-1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2],0
c1ccsc1,[C][C][=C][S][C][=Ring1][Branch1],0
CCOC(=O)c1cccc(N)c1,[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1],0
CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1,[C][C][N+1][Branch1][Ring1][C][C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C=C(C)C,[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][C][=Branch1][C][=O][C][=C][Branch1][C][C][C],1
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4C[C@H]3C[C@@H]12,[C][N][Branch1][C][C][C@@H1][C][Branch1][C][O][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=O][C@@][Branch1][C][O][C][Branch1][C][O][=C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][C@H1][Ring1][N][C][C@@H1][Ring2][Ring1][O][Ring2][Ring1][C],0
CCCCOCCOCCSC#N,[C][C][C][C][O][C][C][O][C][C][S][C][#N],0
CCC(=O)C=Cc1ccc(OC)cc1,[C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2],0
CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1,[C][C][Branch1][C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][O][C][C][C][O][Ring1][Ring1][C][=C][Ring1][O][C][=C][C][=C][Branch1][Branch2][O][C][C][C][O][Ring1][Ring1][C][=C][Ring1][O],0
Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1,[C][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][C][=C][C][Ring1][#Branch1][=C][C][Ring1][N][=C][Ring1][P],0
O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,[O][=C][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][Branch1][C][O][C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][#Branch1],1
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],0
CC(=O)OC(C)(C)C,[C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C],0
CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1,[C][C][Branch2][Ring1][#Branch1][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC(=O)O[Cr](O)OC(C)=O.CC(=O)O[Cr](O)OC(C)=O.CC(=O)O[Cr](OC(C)=O)OC(C)=O,[C][C][=Branch1][C][=O][O][Cr][Branch1][C][O][O][C][Branch1][C][C][=O].[C][C][=Branch1][C][=O][O][Cr][Branch1][C][O][O][C][Branch1][C][C][=O].[C][C][=Branch1][C][=O][O][Cr][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O],0
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,[O][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][Ring1][Branch2],1
CC1=NNC(=O)N(/N=C/c2cccnc2)C1,[C][C][=N][N][C][=Branch1][C][=O][N][Branch1][O][/N][=C][/C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#C],0
CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1,[C][C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][O][C][=C][C][=C][C][=N][Ring1][=Branch1],0
O=C(Nc1ccc(Cl)c(Cl)c1)C1CC1,[O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][C][Ring1][Ring1],0
Nc1nc(N)c(-c2ccccc2)s1,[N][C][=N][C][Branch1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N],0
CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O,[C][C][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][Branch1][S][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][Ring2][O],0
Nc1nc(=O)c2ncn(CCC(CO)CO)c2[nH]1,[N][C][=N][C][=Branch1][C][=O][C][N][=C][N][Branch1][#Branch2][C][C][C][Branch1][Ring1][C][O][C][O][C][=Ring1][N][NH1][Ring1][P],0
CCC1CCC(CCC(=O)O)C1,[C][C][C][C][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][Ring1][#Branch2],0
CCOC(=O)CCc1ccccc1,[C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CC(C)CC(O)CC(C)C,[C][C][Branch1][C][C][C][C][Branch1][C][O][C][C][Branch1][C][C][C],0
N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,[N][=C][Branch1][C][N][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl],0
CCC(NC(C)C)C(O)c1ccc(O)c(O)c1,[C][C][C][Branch1][#Branch1][N][C][Branch1][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2],0
O=C1CCCc2c(O)cccc21,[O][=C][C][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][Ring1][O],0
Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C,[C][C][O][C][=Branch1][C][=O][O][C][=Ring1][=Branch1][C][O][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][S][S][C][Ring2][Ring1][Ring1][Branch1][C][C][C],0
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,[O][=C][O][C][=C][Branch1][C][O][C][Branch1][C][O][=C][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][O][C][Branch1][C][O][=C][C][Ring2][Ring1][Ring1][=C][Ring1][Branch2][C][Ring2][Ring1][Ring1][=Ring1][=N],0
C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,[C][N+1][=C][C][=C][C][=Branch2][Ring1][=C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=Branch1][O][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Ring2][Ring1][C][O][C][O][Ring1][Branch2][O][C][O][Ring2][Ring1][Branch1],0
CCCCCCCCCCCCC(=O)O,[C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O],0
CCCC(C)=O,[C][C][C][C][Branch1][C][C][=O],0
Cc1c(N)cccc1C(F)(F)F,[C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F],0
CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O,[C][C][Branch1][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],1
CCCc1ncc(C[n+]2ccccc2C)c(N)n1,[C][C][C][C][=N][C][=C][Branch1][O][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][N][=N][Ring1][#C],0
Cl[Dy](Cl)Cl,[Cl][Dy][Branch1][C][Cl][Cl],0
COC(=O)C1=C(C)NC(COC(N)=O)=C(C(=O)OC(C)C)C1c1cccc(Cl)c1Cl,[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][Branch2][C][O][C][Branch1][C][N][=O][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Ring2][Ring1][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl],1
O=c1cc(O)c(Cl)c[nH]1,[O][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][NH1][Ring1][Branch2],0
Nc1ccc(NC(=O)c2ccc(N)cc2)cc1,[N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Ring1][S],0
O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1Cl,[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl],0
CC(C)S,[C][C][Branch1][C][C][S],0
Cc1cc(C)cc(O)c1,[C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][O][=C][Ring1][Branch2],0
OCCCc1ccccc1,[O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1],0
Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O,[C][C][=C][N][Branch1][#C][C@H1][C][C@H1][Branch1][C][F][C@@H1][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Branch1][C][=O][NH1][C][Ring1][#C][=O],0
Oc1ccccc1,[O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
CCCCCCCCCCCCCCCS(=O)(=O)Oc1ccccc1,[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1],0
C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1,[C][N+1][Branch1][C][C][Branch1][C][C][C][C][N+1][Branch1][C][C][C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][C][Ring1][=C],0
Cc1nnc2n1-c1sc(CCC(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2,[C][C][=N][N][=C][N][Ring1][Branch1][C][S][C][Branch1][#C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=Ring1][#C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][Ring2][Ring1][O],0
CCN(CC)CCc1c[nH]c2ccccc12.CCN(CC)CCc1c[nH]c2ccccc12,[C][C][N][Branch1][Ring1][C][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1].[C][C][N][Branch1][Ring1][C][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1],0
Clc1ccc([C@@H]2C[C@H]3CC[C@@H]2N3)cn1,[Cl][C][=C][C][=C][Branch1][N][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][N][Ring1][Branch1][C][=N][Ring1][=N],0
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO,[C][C@][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][C][C][C@@H1][C@@H1][Ring1][O][C][=Branch1][C][=O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O],0
CC(C)c1ccc2cc(C(C)C)ccc2c1,[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][Ring1][=Branch2][=C][Ring1][=N],0
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,[C][C@@H1][O][C@@H1][Branch2][=Branch1][#Branch1][O][C][C@H1][O][C@@H1][Branch2][Branch1][C][O][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][Branch1][O][C][C][O][C][Branch1][Branch1][O][C][C][O][=C][Ring1][=C][O][C][=C][C][Branch1][Branch1][O][C][C][O][=C][C][Branch1][C][O][=C][Ring1][O][C][Ring2][Ring1][=N][=O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][#Branch1][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][C][O],0
C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C=CC(=O)C=C12,[C][C@H1][C][C@@H1][C@H1][Branch2][Ring1][O][C@@H1][Branch1][C][O][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][C@][Ring1][=Branch1][Branch1][C][O][C][=Branch1][C][=O][C][O][C@@][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][=C][Ring2][Ring1][#Branch2][Ring1][Branch2],0
O=C(O)/C=C/c1ccccc1,[O][=C][Branch1][C][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1],0
Cc1cc(C(=O)O)c(C)n1-c1cccc(C(=O)O)c1.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46,[C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][C][N][Ring1][=Branch2][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2].[O][=C][C][C@@H1][O][C][C][=C][C][N][C][C][C@][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C@H1][Ring1][=Branch2][C@H1][Ring2][Ring1][Ring1][C@H1][Ring1][S][C][C@H1][Ring1][S][Ring1][=N],0
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1,[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2],0
FC(F)(F)c1cccc(Cl)c1,[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1],0
COP(=S)(Cl)OC,[C][O][P][=Branch1][C][=S][Branch1][C][Cl][O][C],0
C[C@H]1[C@@H](c2ccccc2)N=C(O)N1C,[C][C@H1][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][C][O][N][Ring1][N][C],0
Oc1cc(Cl)c(Cl)c(Cl)c1,[O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2],0
O=C(O)COc1ccc(Cl)cc1,[O][=C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1],0
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)[O-],[C][C][C][C][C][C][C@@H1][Branch1][C][O][C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1],0
CCCCCCO,[C][C][C][C][C][C][O],0
C1COC(NC(C2CC2)C2CC2)=N1,[C][C][O][C][Branch1][#C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][=N][Ring1][=N],0