Class
int64
0
1
SMILES
stringlengths
15
166
0
Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCc1ccccn1
0
CCC(CC(=O)NCC[NH+]1CCOCC1)n1c(N)nc2cc(Cl)ccc21
0
Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCCC1CC[NH2+]C1
0
CC1(C)Cc2ccccc2C(NC(Cc2ccccc2)c2nnn[nH]2)=N1
0
CCC(CC(=O)NC(C)C)n1c(N)nc2cc(Cl)ccc21
0
Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCC[NH+]1CCOCC1
0
CCC(CC(=O)NCC1CCOCC1)n1c(N)nc2cc(Cl)ccc21
0
CCC(CC(=O)NCc1ccccn1)n1c(N)nc2cc(Cl)ccc21
0
Cn1c(N)nc(C2CC2c2cccc(Br)c2)cc1=O
0
Cn1c(N)nc(C2CC2c2cccc(-c3ccccc3)c2)cc1=O
0
Nc1nc2cc(Cl)ccc2n1CCCC(=O)NCC1CC1