Datasets:
SauravMaheshkar
/
tox21_SRp53

Dataset card Viewer Files Community
smiles
stringlengths
2
342
selfies
stringlengths
6
1.27k
target
int64
0
1
CN(C1CCCCC1)C1CCCCC1
[C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1]
0
CC(C)c1cccc(O)c1
[C][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]
0
Cc1c(Cl)c(=O)oc2cc(OP(=O)(OCCCl)OCCCl)ccc12
[C][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][O][C][=C][C][Branch1][S][O][P][=Branch1][C][=O][Branch1][Branch1][O][C][C][Cl][O][C][C][Cl][=C][C][=C][Ring2][Ring1][#Branch1][Ring1][P]
0
C[C@@H](N)C(=O)O
[C][C@@H1][Branch1][C][N][C][=Branch1][C][=O][O]
0
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl
[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][Branch1][C][Cl][=C][Branch2][Ring1][Branch1][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][P][Cl]
0
C=C(C)[C@@H]1CC=C(C)CC1
[C][=C][Branch1][C][C][C@@H1][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch1]
0
CCCCCCCCCC(=O)OC
[C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C]
0
CCCC(=O)C(C)=O
[C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][=O]
0
NNC(N)=S
[N][N][C][Branch1][C][N][=S]
0
O=S([O-])CO
[O][=S][Branch1][C][O-1][C][O]
0
C=CCc1ccc(O)c(OC)c1
[C][=C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2]
0
CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1
[C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=C][C][Ring1][O][=O+1][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N]
0
Cc1cc(=O)oc2cc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)ccc12
[C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][P][O][C@@H1][S][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][=C][C][=C][Ring2][Ring1][Branch1][Ring1][S]
0
COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12
[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][Branch1][C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Ring1][=C][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1]
0
COC(=O)CCC(=O)OC
[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C]
0
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
[O][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O]
0
Br[Ca]Br
[Br][Ca][Br]
0
CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
[C][O][C@H1][C][=C][O][C@@][Branch1][C][C][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Branch2][Ring2][=Branch2][C][Branch2][Ring1][Ring2][/C][=N][/N][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][O][=C][Branch1][C][O][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][O][C][Ring2][Ring1][#C][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][=C][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Branch1][N][C]
0
CCOP(=O)(CC)Oc1ccc([N+](=O)[O-])cc1
[C][C][O][P][=Branch1][C][=O][Branch1][Ring1][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
0
CCOC(=O)c1ccc(NC(=O)CN2CCCCC2)cc1
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
0
CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1
[C][C][Branch1][C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][O][NH1][Ring1][=C][C][C][Ring2][Ring1][=Branch1]
0
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C
[C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][#Branch1][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][O][C]
0
O=[Cd]
[O][=Cd]
0
Cn1c(=O)cc(Oc2ccc(F)cc2F)c2cnc(NCC(C)(C)O)nc21
[C][N][C][=Branch1][C][=O][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][N][=C][Branch1][O][N][C][C][Branch1][C][C][Branch1][C][C][O][N][=C][Ring1][N][Ring2][Ring1][#Branch2]
0
CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
[C][C][N][C@H1][C][N][Branch1][=Branch1][C][C][C][O][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][Ring2][Ring1][Ring2]
0
CC(=O)CCC=C(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
[C][C][=Branch1][C][=O][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]
0
Cc1cccc(C(=O)O)c1[N+](=O)[O-]
[C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]
0
CC(C)(C)CC(C)(C)c1ccc(O)cc1
[C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
0
CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1
[C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][C][=C][C][=N][C][=C][Branch1][Ring1][C][#N][C][=N][N][Ring1][O][Ring1][#Branch1][=C][Ring1][P]
0
CCOC(C)OCC
[C][C][O][C][Branch1][C][C][O][C][C]
0
CN(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
[C][N][Branch1][C][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
O=[Se]([O-])[O-]
[O][=Se][Branch1][C][O-1][O-1]
0
CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])C(C)C
[C][C][C][=Branch1][C][=O][O][C][Branch2][Ring2][#C][O][P][=Branch1][C][=O][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C@H1][Ring1][O][C][=Branch1][C][=O][O-1][C][Branch1][C][C][C]
0
O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O
[O][C@@H1][C][O][C@H1][C@@H1][Ring1][Branch1][O][C][C@@H1][Ring1][Branch1][O]
0
O=C(O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1
[O][=C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
O=C1OC(O)C(C(Cl)Cl)=C1Cl
[O][=C][O][C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][Cl][Cl][=C][Ring1][=Branch2][Cl]
1
CC(CC=O)c1ccccc1
[C][C][Branch1][Ring2][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
CCCC[n+]1ccccc1.F[B-](F)(F)F
[C][C][C][C][N+1][=C][C][=C][C][=C][Ring1][=Branch1].[F][B-1][Branch1][C][F][Branch1][C][F][F]
0
Cc1ccc(C(C)(C)C)cc1
[C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2]
0
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C)CS[C@H]12)c1csc(N)n1
[C][O][/N][=C][Branch2][Ring2][S][/C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][C][C][S][C@H1][Ring2][Ring1][Branch1][Ring2][Ring1][C][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1]
0
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
[C][C][C@][Branch1][C][O][C][C@@H1][C][N][Branch2][#Branch1][#C][C][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][C][Ring2][Branch1][=Branch2]
1
O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O
[O][=C][Branch1][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][N][C][=Branch1][C][=O][O]
0
COc1cc2c(cc1OC)C(=O)CC2
[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][C][Ring1][#Branch2]
0
CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1
[C][C][C][C][N][Branch2][Ring1][=Branch1][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]
0
COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1
[C][O][C][=C][C][=C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
0
CC(C)(C)OC(=O)c1ccc(O)cc1
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
0
O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1
[O][=C][Branch2][Ring1][Ring2][O][C][C][O][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
[C][N][C][C@H1][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C@][Branch1][C][C][O][C@@][Branch1][C][O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][C][Ring2][Ring1][=Branch1][=O][C][C@@H1][C][=C][C][=C][C][NH1][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring1][N][Ring2][Ring2][#Branch2]
0
CCCCCCCCCCCCCCCC
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]
0
NCC(=O)CCC(=O)O
[N][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O]
0
CCNc1nc(NC(C)C(C)C)nc(SC)n1
[C][C][N][C][=N][C][Branch1][O][N][C][Branch1][C][C][C][Branch1][C][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][=C]
0
CN(C)CC/C=C1\c2ccccc2COc2ccccc21
[C][N][Branch1][C][C][C][C][/C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C]
0
O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O
[O][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][O][C][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O][=O]
0
Cn1c([N+](=O)[O-])cnc1COC(N)=O
[C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][=C][Ring1][Branch2][C][O][C][Branch1][C][N][=O]
0
CC(=O)C1C(=O)C=C(C)OC1=O
[C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Ring1][Branch2][=O]
0
O=C(O)c1ccccc1O.OCCN(CCO)CCO
[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O].[O][C][C][N][Branch1][Ring2][C][C][O][C][C][O]
0
N[C@@H]1C[C@H]1c1ccccc1
[N][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1
[N][C][=N][C][=C][Branch1][#C][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][O][C][=Branch1][C][=O][NH1][Ring1][P]
0
Cc1ccccc1O
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
0
Cc1ccc(Cl)cc1Cl
[C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]
0
CC(=O)OC(C)c1ccccc1
[C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
CN/C(=N\[N+](=O)[O-])NCc1cnc(Cl)s1
[C][N][/C][=Branch1][#Branch1][=N][\N+1][=Branch1][C][=O][O-1][N][C][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1]
0
CCCSP(=S)(OCC)Oc1ccc(SC)cc1
[C][C][C][S][P][=Branch1][C][=S][Branch1][Ring2][O][C][C][O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2]
0
O=S(=O)(c1ccccc1)c1ccccc1
[O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
CC1(C)NC(=O)NC1=O
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][#Branch1][=O]
0
COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
[C][O][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][N][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][Ring1][S][C]
0
CCC(C)COC(C)=O
[C][C][C][Branch1][C][C][C][O][C][Branch1][C][C][=O]
0
CSSC
[C][S][S][C]
0
O=C1CCC(C2CCCCC2)CC1
[O][=C][C][C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N]
0
Fc1ccccc1-c1ccccc1
[F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
C/C(=C(\CCOC(=O)c1ccccc1)SS/C(CCOC(=O)c1ccccc1)=C(/C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N
[C][/C][=Branch2][Branch1][=N][=C][Branch1][S][\C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][S][/C][Branch1][S][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][/C][N][Branch1][Ring1][C][=O][C][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N][N][Branch1][Ring1][C][=O][C][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1][N]
0
COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C1C=C(C(C)C)CC[C@@H]12
[C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][C@H1][Ring1][Branch2][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C@@H1][Ring1][=Branch2][Ring1][=C]
0
CC(=O)c1nccs1
[C][C][=Branch1][C][=O][C][=N][C][=C][S][Ring1][Branch1]
0
CC(O)CCl
[C][C][Branch1][C][O][C][Cl]
0
NC(=O)c1ccccc1C(N)=O
[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O]
0
Cc1nc2ccccc2c(=O)o1
[C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O]
0
N=C(N)n1cccn1
[N][=C][Branch1][C][N][N][C][=C][C][=N][Ring1][Branch1]
0
O=Cc1ccccc1C=O
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=O]
1
BrCCCCBr
[Br][C][C][C][C][Br]
0
CCO[Si](CC(C)C)(OCC)OCC
[C][C][O][Si][Branch1][#Branch1][C][C][Branch1][C][C][C][Branch1][Ring2][O][C][C][O][C][C]
0
Cc1cc(C2(c3cc(C)c(O)cc3C)OS(=O)(=O)c3ccccc32)c(C)cc1O
[C][C][=C][C][Branch2][Ring2][=Branch1][C][Branch1][S][C][=C][C][Branch1][C][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][=C][Branch1][C][C][C][=C][Ring2][Ring1][O][O]
0
CC(C)CCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1
[C][C][Branch1][C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][Branch1][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][Branch1][C][C][C][=C][Ring2][Ring1][S]
0
CC(Cl)(Cl)C(=O)[O-]
[C][C][Branch1][C][Cl][Branch1][C][Cl][C][=Branch1][C][=O][O-1]
0
CC(C)=CCCC(C)CCO
[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][O]
0
Cc1cc(=O)nc(C(C)C)[nH]1
[C][C][=C][C][=Branch1][C][=O][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][NH1][Ring1][#Branch2]
0
O=C1c2ccccc2C(=O)C1(O)O
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][#Branch2][Branch1][C][O][O]
1
C=CS(=O)(=O)[O-]
[C][=C][S][=Branch1][C][=O][=Branch1][C][=O][O-1]
0
CCC[N+]1(C)CCCCC1
[C][C][C][N+1][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1]
0
CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21
[C][C][Branch1][C][C][N][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S]
0
CCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](OCCO)[C@H]1OCCO
[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@@H1][Branch1][C][O][C@H1][O][C][C@H1][Branch1][Branch1][O][C][C][O][C@H1][Ring1][=Branch2][O][C][C][O]
0
Oc1ccc([Hg]Cl)cc1
[O][C][=C][C][=C][Branch1][Ring1][Hg][Cl][C][=C][Ring1][Branch2]
1
NC(=O)c1ccc(N)cc1
[N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
0
COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)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][=N][C][Branch1][Ring1][O][C][=N][Ring1][=Branch2]
0
CCC1COC(=O)O1
[C][C][C][C][O][C][=Branch1][C][=O][O][Ring1][=Branch1]
0
Cc1ccc(O)c(C)c1
[C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2]
0
CCCCCCC/C=C/C=O
[C][C][C][C][C][C][C][/C][=C][/C][=O]
0
c1cc(-c2ccncc2)ccn1
[C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][=N][Ring1][N]
0
CC(=O)c1ccccn1
[C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1]
0
CC(C)=CCCC(C)=CC(=O)O
[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O]
0
N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O
[N][C@@H1][Branch1][=C][C][S][S][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
0