Datasets:
zpn
/
clintox

Dataset card Viewer Files Community
smiles
stringlengths
2
323
selfies
stringlengths
4
1.08k
target
int64
0
1
CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC
[C][C][N+1][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][C][Branch1][#C][O][C][C][N+1][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C][=C][Ring1][S][O][C][C][N+1][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C]
0
CC[NH+](CC)C(C)C(=O)c1ccccc1
[C][C][NH1+1][Branch1][Ring1][C][C][C][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
CC[NH+](CC)CC(=O)Nc1c(C)cccc1C
[C][C][NH1+1][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C]
0
CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
[C][C][NH1+1][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][=C][Ring1][Branch2][O][C]
0
CC[NH+](CC)CCNC(=O)c1ccc(N)cc1
[C][C][NH1+1][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
0
CC[NH+](CC)CCOC(=O)c1ccc(N)cc1
[C][C][NH1+1][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]
0
CC[NH+](CC)CCOC(=O)c1ccc(N)cc1Cl
[C][C][NH1+1][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl]
0
CCC([NH2+]C(C)C)C(O)c1ccc(O)c(O)c1
[C][C][C][Branch1][#Branch1][NH2+1][C][Branch1][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
0
C=C(CC)C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl
[C][=C][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O-1][C][Branch1][C][Cl][=C][Ring1][N][Cl]
0
CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)[O-]
[C][C][C][Branch2][Ring1][Ring2][C][C][=C][Branch1][C][I][C][=C][Branch1][C][I][C][Branch1][C][N][=C][Ring1][=Branch2][I][C][=Branch1][C][=O][O-1]
0
CCC[NH+](CC)C(CC)C(=O)Nc1c(C)cccc1C
[C][C][C][NH1+1][Branch1][Ring1][C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C]
0
CCC[NH2+]C(C)C(=O)Nc1ccccc1C
[C][C][C][NH2+1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
0
CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)[O-])c1I
[C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][I][C][=C][Branch1][C][I][C][Branch1][N][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][O-1][=C][Ring1][#C][I]
0
CCCC(=O)Nc1ccc(OCC(O)C[NH2+]C(C)C)c(C(C)=O)c1
[C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][O][C][C][Branch1][C][O][C][NH2+1][C][Branch1][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][C]
0
CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1
[C][C][C][C][C][Branch1][Ring1][C][C][C][O][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
0
CCCCCCC[NH+](CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1
[C][C][C][C][C][C][C][NH1+1][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
CCCCCCCCc1ccc(CCC([NH3+])(CO)CO)cc1
[C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][=N][C][C][C][Branch1][C][NH3+1][Branch1][Ring1][C][O][C][O][C][=C][Ring1][=C]
0
CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
[C][C][C][C][C][C][C][C][C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][=C][Ring2][Ring2][C]
0
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1
[C][C][C][C][N][C][=Branch1][C][=O][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]
0
CCCCNc1ccc(C(=O)OCC[NH+](C)C)cc1
[C][C][C][C][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][C][NH1+1][Branch1][C][C][C][C][=C][Ring1][=C]
0
CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1
[C][C][C][C][N][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][=C][Ring2][Ring2][Branch1]
0
CCCCOc1cc(C(=O)OCC[NH+](CC)CC)ccc1N
[C][C][C][C][O][C][=C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][NH1+1][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring1][S][N]
0
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[O-])cc1
[C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
0
CCCNC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1
[C][C][C][N][C][=Branch1][C][=O][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
0
CCCOc1cc(N)ccc1C(=O)OCC[NH+](CC)CC
[C][C][C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][NH1+1][Branch1][Ring1][C][C][C][C]
0
CCCOc1ccc(C(=O)OCC[NH+](CC)CC)cc1N
[C][C][C][O][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][N]
0
CCN(C)C(=O)Oc1cccc([C@H](C)[NH+](C)C)c1
[C][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][#Branch2][C@H1][Branch1][C][C][NH1+1][Branch1][C][C][C][=C][Ring1][O]
0
C/C=C/C(=O)N(CC)c1ccccc1C
[C][/C][=C][/C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C]
0
CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c([O-])c([N+](=O)[O-])c1
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][/C][=C][C][Branch1][C][O][=C][Branch1][C][O-1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O]
0
CCN(CC)CC(=O)Nc1c(C)cccc1C
[C][C][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C]
1
CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C
[C][C][O][C][=Branch1][C][=O][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][C][/C][=C][/C][=C][Branch1][C][C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][#Branch2][C]
0
CCOC(=O)[C@@](C)([NH3+])Cc1ccc(O)c(O)c1
[C][C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][C][NH3+1][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
0
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
0
CCOC(=O)CCCCCCCCC(C)c1ccccc1I
[C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][I]
0
CCOc1ccc(CC(CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-])cc1
[C][C][O][C][=C][C][=C][Branch2][Ring2][P][C][C][Branch2][Ring1][=N][C][N][Branch2][Ring1][C][C][C][NH1+1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1][NH1+1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1][C][=C][Ring2][Ring2][C]
0
CN(C)/C=[NH+]/c1c(I)cc(I)c(CCC(=O)[O-])c1I
[C][N][Branch1][C][C][/C][=NH1+1][/C][=C][Branch1][C][I][C][=C][Branch1][C][I][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O-1][=C][Ring1][=N][I]
0
COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I
[C][O][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][I][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][O][=C][Branch1][C][I][C][Branch1][S][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][O][C][O][=C][Ring2][Ring1][=Branch2][I]
0
CN/C(NCc1ccccc1)=[NH+]\C
[C][N][/C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=NH1+1][\C]
0
COC(CNC(=O)c1ccccc1OCC(=O)[O-])C[Hg]O
[C][O][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][O-1][C][Hg][O]
0
COC(=O)c1ccccc1O
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
0
COc1ccc(OC)c(C(O)CNC(=O)C[NH3+])c1
[C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=N][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][NH3+1][=C][Ring1][S]
0
COc1ccc(O)cc1
[C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]
0
COc1ccccc1OCC(O)CO
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][O]
0
COc1ccccc1OCC(O)COC(N)=O
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][O][C][O][C][Branch1][C][N][=O]
0
COCCCC/C(=N\OCC[NH3+])c1ccc(C(F)(F)F)cc1
[C][O][C][C][C][C][/C][=Branch1][=Branch1][=N][\O][C][C][NH3+1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
0
O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]
[O][=C][Branch1][C][O-1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][O-1]
0
O=[N+]([O-])[O-]
[O][=N+1][Branch1][C][O-1][O-1]
0
[N]=O
[NH0][=O]
0
O=[99Tc](=O)(=O)[O-]
[O][=99Tc][=Branch1][C][=O][=Branch1][C][=O][O-1]
0
O=P([O-])([O-])F
[O][=P][Branch1][C][O-1][Branch1][C][O-1][F]
0
O=S(=O)([O-])[O-]
[O][=S][=Branch1][C][=O][Branch1][C][O-1][O-1]
0
O=S([O-])([O-])=S
[O][=S][Branch1][C][O-1][Branch1][C][O-1][=S]
0
[Se]
[Se]
1
C#N
[C][#N]
0
N#C[Fe-2](C#N)(C#N)(C#N)(C#N)N=O
[N][#C][Fe-2][Branch1][Ring1][C][#N][Branch1][Ring1][C][#N][Branch1][Ring1][C][#N][Branch1][Ring1][C][#N][N][=O]
0
[NH3+][C@@H](CS)C(=O)[O-]
[NH3+1][C@@H1][Branch1][Ring1][C][S][C][=Branch1][C][=O][O-1]
0
O=C[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][O]
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
O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
[O][=C][Branch1][C][O-1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O]
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
NC(N)=[NH2+]
[N][C][Branch1][C][N][=NH2+1]
0
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
[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][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][Br]
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
O=C([O-])C(O)C(O)C(=O)[O-]
[O][=C][Branch1][C][O-1][C][Branch1][C][O][C][Branch1][C][O][C][=Branch1][C][=O][O-1]
0
O=C([O-])C(S)C(S)C(=O)[O-]
[O][=C][Branch1][C][O-1][C][Branch1][C][S][C][Branch1][C][S][C][=Branch1][C][=O][O-1]
0
O=P([O-])([O-])OCC(Cl)(Cl)Cl
[O][=P][Branch1][C][O-1][Branch1][C][O-1][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]
0
[NH3+]C(CO)(CO)CO
[NH3+1][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][C][O]
0
OCC(O)CO
[O][C][C][Branch1][C][O][C][O]
0
O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]
[O][=N+1][Branch1][C][O-1][O][C][C][Branch1][Branch2][C][O][N+1][=Branch1][C][=O][O-1][O][N+1][=Branch1][C][=O][O-1]
0
OCC(S)CS
[O][C][C][Branch1][C][S][C][S]
0
FC(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][F]
0
FC(F)(F)C(Cl)Br
[F][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][Cl][Br]
0
FC(F)OC(Cl)C(F)(F)F
[F][C][Branch1][C][F][O][C][Branch1][C][Cl][C][Branch1][C][F][Branch1][C][F][F]
0
FC(F)OC(F)C(F)(F)F
[F][C][Branch1][C][F][O][C][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F]
0
FC(F)=C(F)F
[F][C][Branch1][C][F][=C][Branch1][C][F][F]
0
[NH3+]CC(=O)[O-]
[NH3+1][C][C][=Branch1][C][=O][O-1]
0
O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-]
[O][=C][Branch1][C][O-1][C][C][Branch1][C][O][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1]
0
FC(F)OC(F)(F)C(F)Cl
[F][C][Branch1][C][F][O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Cl]
0
O=C([O-])/C=C/C(=O)[O-]
[O][=C][Branch1][C][O-1][/C][=C][/C][=Branch1][C][=O][O-1]
0
NC(N)=[NH+]CCC[C@H]([NH3+])C(=O)[O-]
[N][C][Branch1][C][N][=NH1+1][C][C][C][C@H1][Branch1][C][NH3+1][C][=Branch1][C][=O][O-1]
0
NCC[NH2+]CCNCC[NH2+]CCN
[N][C][C][NH2+1][C][C][N][C][C][NH2+1][C][C][N]
0
[NH3+]CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]
[NH3+1][C][C][C][Branch1][C][O][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O-1][O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1]
0
[NH3+]CCC[NH2+]CCSP(=O)([O-])[O-]
[NH3+1][C][C][C][NH2+1][C][C][S][P][=Branch1][C][=O][Branch1][C][O-1][O-1]
0
[NH3+]CCCC([NH3+])(C(=O)[O-])C(F)F
[NH3+1][C][C][C][C][Branch1][C][NH3+1][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][Branch1][C][F][F]
0
[NH3+]CCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]
[NH3+1][C][C][C][C][Branch1][C][O][Branch1][=Branch2][P][=Branch1][C][=O][Branch1][C][O-1][O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1]
0
O=C([O-])CCC(=O)[O-]
[O][=C][Branch1][C][O-1][C][C][C][=Branch1][C][=O][O-1]
0
[NH3+]CC(=O)CCC(=O)[O-]
[NH3+1][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O-1]
0
O=C([O-])CCCO
[O][=C][Branch1][C][O-1][C][C][C][O]
0
NC(=O)CC[C@H]([NH3+])C(=O)[O-]
[N][C][=Branch1][C][=O][C][C][C@H1][Branch1][C][NH3+1][C][=Branch1][C][=O][O-1]
0
[NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-]
[NH3+1][C@@H1][Branch2][Branch1][=Branch2][C][C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring2][Ring1][C][S][S][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][C@H1][Branch1][C][NH3+1][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O-1]
0
[NH3+]CCCCCC(=O)[O-]
[NH3+1][C][C][C][C][C][C][=Branch1][C][=O][O-1]
0
O=C([O-])CCCCCCCC(=O)[O-]
[O][=C][Branch1][C][O-1][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]
0
O=C([O-])CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
[O][=C][Branch1][C][O-1][C][N][Branch2][Ring1][C][C][C][NH1+1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1]
0
O=C([O-])CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC[NH+](CC(=O)[O-])CC(=O)[O-]
[O][=C][Branch1][C][O-1][C][N][Branch2][Ring1][C][C][C][NH1+1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1][C][C][NH1+1][Branch1][#Branch1][C][C][=Branch1][C][=O][O-1][C][C][=Branch1][C][=O][O-1]
0
NCC[NH2+]CCNCC[NH3+]
[N][C][C][NH2+1][C][C][N][C][C][NH3+1]
0
O=S(=O)([O-])CCS
[O][=S][=Branch1][C][=O][Branch1][C][O-1][C][C][S]
0
[NH3+]CCS
[NH3+1][C][C][S]
0
O=C([O-])[O-]
[O][=C][Branch1][C][O-1][O-1]
0
O=C([O-])P(=O)([O-])[O-]
[O][=C][Branch1][C][O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1]
0
NC(N)=O
[N][C][Branch1][C][N][=O]
0