Datasets:
SauravMaheshkar
/
tox21_SRp53

Dataset card Viewer Files Community
smiles
stringlengths
2
342
selfies
stringlengths
6
1.27k
target
int64
0
1
CNC[C@H](O)c1ccc(O)c(O)c1
[C][N][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]
0
ClC(Cl)Cl
[Cl][C][Branch1][C][Cl][Cl]
0
CCCCc1cc2c(=O)c(C(=O)OC)c[nH]c2cc1OCc1ccccc1
[C][C][C][C][C][=C][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][NH1][C][=Ring1][O][C][=C][Ring1][#C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
CCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)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][P][N-1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]
0
CC(C)C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C
[C][C][Branch1][C][C][C][O][C][C][N][Ring1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][N][C][C][O][C][Ring1][Branch1][C][Branch1][C][C][C]
0
CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1
[C][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2]
0
CN1N=C(C(N)=O)CCC1=O
[C][N][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C][Ring1][=Branch2][=O]
0
Cc1cccc(O)c1N
[C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N]
1
CN(C)CCCNCCCN
[C][N][Branch1][C][C][C][C][C][N][C][C][C][N]
0
Nc1ccccc1Nc1ccccc1
[N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
[C][C][=C][O][C][=C][Branch1][C][C][C][=C][C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][S][C][=C][Ring2][Ring2][O][N][=C][Ring2][Ring2][#C][C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][S][C][=C][Branch1][C][N][C][Ring2][#Branch1][Branch2][=O]
1
CC(COc1ccccc1)N(CCCl)Cc1ccccc1
[C][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][Cl][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
O=C(O)CCCCCCCCCC(=O)O
[O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O]
0
ClCCCCl
[Cl][C][C][C][Cl]
0
Cc1cccc(S(=O)(=O)[O-])c1C
[C][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C]
0
CC[Sn](Br)(CC)CC
[C][C][Sn][Branch1][C][Br][Branch1][Ring1][C][C][C][C]
1
CCC(=O)OC(C)(C)C1CC=C(C)CC1
[C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch1]
0
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=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][=C][C][=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
CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)=C\C(=O)O
[C][C][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][Branch1][C][O][/C][=C][/C][Branch1][C][C][=C][\C][=Branch1][C][=O][O]
0
C[C@H](CN1CCCC1)C(=O)c1ccc(C(F)(F)F)cc1
[C][C@H1][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
0
CCOC(=O)Oc1ccc(CCNC(=O)[C@H](CCSC)NC(C)=O)cc1OC(=O)OCC
[C][C][O][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Branch1][C][C][S][C][N][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Ring2][O][C][=Branch1][C][=O][O][C][C]
0
CCOC(=O)c1ccccc1C(=O)OCC
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C]
0
CC(C)=CCCC(C)CCOC=O
[C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][O][C][=O]
0
Nc1ccncc1N
[N][C][=C][C][=N][C][=C][Ring1][=Branch1][N]
0
O=C(Cl)c1cccc([N+](=O)[O-])c1
[O][=C][Branch1][C][Cl][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2]
0
CCNc1nc(NC(C)C)nc(SC)n1
[C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][Ring1][S][C][=N][Ring1][N]
0
O=P(O)(Oc1ccccc1)Oc1ccccc1
[O][=P][Branch1][C][O][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
CC(C)c1ccccc1C(C)C
[C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C]
0
Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1
[O][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][#Branch1][C][C][C][C][N][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
0
CCOP(=O)(Cl)Cl
[C][C][O][P][=Branch1][C][=O][Branch1][C][Cl][Cl]
0
CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1
[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring1][P]
1
O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCc2ccccc2)cc1
[O][=C][Branch2][Ring1][N][N][C][=C][C][=C][C][C][=Branch1][C][=O][C][=C][Branch1][Branch2][C][=N][N][=N][NH1][Ring1][Branch1][O][C][Ring1][S][=Ring1][N][C][=C][C][=C][Branch1][=C][O][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P]
0
C=CC(C)CCC=C(C)C
[C][=C][C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C]
0
NNC(=O)c1ccncc1
[N][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1]
0
Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1
[C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][=N][C][=N][O][Ring2][Ring1][=Branch1]
0
CC=CC=O
[C][C][=C][C][=O]
0
O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1
[O][=C][Branch2][Ring1][=Branch1][C][C][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
0
Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1
[C][C][=N][C][=C][Branch2][Ring1][S][C][N+1][=C][S][C][Branch2][Ring1][Ring2][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][P][=Branch1][C][=O][Branch1][C][O][O][=C][Ring1][S][C][C][Branch1][C][N][=N][Ring2][Ring1][=Branch2]
0
CNC(=O)ON=C(C)SC
[C][N][C][=Branch1][C][=O][O][N][=C][Branch1][C][C][S][C]
0
CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-]
[C][C][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][O-1].[C][C][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][O-1]
0
C=CC(C)(O)CC/C=C(\C)CCC=C(C)C
[C][=C][C][Branch1][C][C][Branch1][C][O][C][C][/C][=C][Branch1][C][\C][C][C][C][=C][Branch1][C][C][C]
0
CC1=C(Br)C(=O)C(Br)=C/C1=C(\c1ccccc1S(=O)(=O)[O-])c1cc(Br)c(O)c(Br)c1C
[C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][C][Branch1][C][Br][=C][/C][Ring1][=Branch2][=C][Branch1][P][\C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][=Branch2][C]
0
COCCOC(=O)CC#N
[C][O][C][C][O][C][=Branch1][C][=O][C][C][#N]
0
NC(=O)c1ccccc1N
[N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N]
0
CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1
[C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][N][C][C][C][C][C][Ring1][=Branch1][=N][N][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
0
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1
[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][O][C][C][N][N][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl].[O][=S][=Branch1][C][=O][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
1
Cc1cc(C)cc(C(=O)OC2C[C@H]3CC[C@@H](C2)N3C)c1
[C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]
0
Cc1cccc(N)c1C
[C][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C]
0
CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
[C][C][O][C][=Branch1][C][=O][O][C@][Branch1][Branch2][C][=Branch1][C][=O][O][C][Cl][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
C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O
[C][C@][Branch1][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][O]
0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C
[C][#C][C@][Branch1][C][O][C][C][C@H1][C@@H1][C][C][C][=C][Branch1][#Branch2][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][Ring1][C]
0
C[Sn](C)(Cl)Cl
[C][Sn][Branch1][C][C][Branch1][C][Cl][Cl]
0
[SbH6+3]
[SbH6+3]
0
CC(C)CCCC(C)(C)O
[C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][O]
0
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
[C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][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][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1]
0
COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=Ring1][=Branch2]
0
CCC(C)(C)C1CCC(OC)CC1
[C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch2]
0
CCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]
[C][C][N][Branch1][Ring1][C][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][N][=C][Ring1][=C][N+1][=Branch1][C][=O][O-1]
0
CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC[C@@H]3C)CCC[C@]12C
[C][C][Branch1][C][C][C@@H1][Branch1][C][C][/C][=C][/C@@H1][Branch1][C][C][C@H1][C][C][C@H1][/C][=Branch1][#C][=C][/C][=C][\C][C@@H1][Branch1][C][O][C][C][C@@H1][Ring1][#Branch1][C][C][C][C][C@][Ring2][Ring1][Ring1][Ring1][S][C]
0
C=C[C@H]1CN2CCC1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12
[C][=C][C@H1][C][N][C][C][C][Ring1][=Branch1][C][C@H1][Ring1][=Branch1][C@H1][Branch1][C][O][C][=C][C][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][N][Ring1][Branch2]
0
O=C([O-])c1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1
[O][=C][Branch1][C][O-1][C][NH1][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=Ring1][S][/N][=N][/C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2]
0
C=C(C)C(=O)OCC(C)C
[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C]
0
CCCCCCCCOS(=O)(=O)[O-]
[C][C][C][C][C][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O-1]
0
CCCCCCCCCCCCCCCC(=O)OC
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C]
0
CC[C@@H](N)CO
[C][C][C@@H1][Branch1][C][N][C][O]
0
Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c2c1CCC2
[C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][=C][C][Branch1][C][C][=C][Ring1][=N][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][Ring1][Branch1]
0
O=C(O)C1CCC1
[O][=C][Branch1][C][O][C][C][C][C][Ring1][Ring2]
0
C1COCO1
[C][C][O][C][O][Ring1][Branch1]
0
COC(OC)OC
[C][O][C][Branch1][Ring1][O][C][O][C]
0
COC=O
[C][O][C][=O]
0
Cc1cccc(C)c1N
[C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N]
0
Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1
[C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][O][C@H1][Branch1][S][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1]
0
ClC(Cl)(Cl)c1ccc(C(Cl)(Cl)Cl)cc1
[Cl][C][Branch1][C][Cl][Branch1][C][Cl][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][Ring1][#Branch2]
0
CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1
[C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][=Branch2]
1
Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
[C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
0
Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(C(F)(F)F)c2)c1
[C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][#Branch1]
0
Clc1cc(C(Cl)(Cl)Cl)cnc1Cl
[Cl][C][=C][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=C][N][=C][Ring1][#Branch2][Cl]
0
CCCCOCCOC(=O)COc1nc(Cl)c(Cl)cc1Cl
[C][C][C][C][O][C][C][O][C][=Branch1][C][=O][C][O][C][=N][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]
0
O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1
[O][=C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][C]
0
COCCOc1cc2cc(C(=O)NC3CCN(C(C)C)CC3)n(CC(=O)Nc3ccc(Cl)cn3)c2cn1
[C][O][C][C][O][C][=C][C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][C][Ring1][=Branch2][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=Ring2][Ring1][N][C][=N][Ring2][Ring1][S]
0
CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21
[C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1]
0
CCCCC(=O)O
[C][C][C][C][C][=Branch1][C][=O][O]
0
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
[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][C][I]
0
Clc1cccc(Cl)c1Cl
[Cl][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]
0
Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
[O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O]
1
CCCCC(CC)CO[N+](=O)[O-]
[C][C][C][C][C][Branch1][Ring1][C][C][C][O][N+1][=Branch1][C][=O][O-1]
0
O=C/C=C/c1ccccc1
[O][=C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1]
0
CCCCCCCCCCCCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)F
[C][C][C][C][C][C][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
O=C(O)c1cccc(Cl)c1
[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
0
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2c(O)c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])ccc23)cc1
[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][=Branch2][C][=Branch1][S][=C][C][=C][C][=Branch1][=Branch1][=N+1][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Branch1][C][O][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch2][C][=C][Ring2][Ring2][Ring1]
0
CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
[C][C][C][O][C][=C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][F][=C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Ring2][Ring1][Branch2][C][Ring2][Ring1][=Branch1][=Ring1][#Branch2]
0
O=Cc1ccccc1
[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0
CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)O
[C][C][C][Branch2][Ring1][Ring2][C][C][=C][Branch1][C][I][C][=C][Branch1][C][I][C][Branch1][C][O][=C][Ring1][=Branch2][I][C][=Branch1][C][=O][O]
0
BrCc1ccc(Br)cc1
[Br][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
0
O=C(O)C(Br)Br
[O][=C][Branch1][C][O][C][Branch1][C][Br][Br]
0
Nc1nc2c(Cl)cccc2s1
[N][C][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2]
0
Cc1ccccc1N=O
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=O]
0
CCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO
[C][C][C][C][C][C][C][C][C][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O].[O][C][C][N][Branch1][Ring2][C][C][O][C][C][O]
0
CCOC(=O)c1ccccc1C(=C1C=C(Br)C(=O)C(Br)=C1)c1cc(Br)c(O)c(Br)c1
[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch2][Ring1][C][=C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][C][Branch1][C][Br][=C][Ring1][=Branch2][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][=Branch2]
0
CCCCCCCCCCCCCCCO
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O]
0