SMILES
stringlengths 17
198
| label
int64 0
1
|
|---|---|
Clc1cc2nc(n(c2cc1)C(CC(=O)N(CC1CCCCC1)C)CC)N | 0 |
Clc1cc2nc(n(c2cc1)CCCC(=O)NCc1ncccc1)N | 0 |
Clc1cc2nc(n(c2cc1)C(CC(=O)NCC[NH+]1CCOCC1)CC)N | 0 |
Clc1cc2nc(n(c2cc1)CCCC(=O)NCCC1CC[NH2+]C1)N | 0 |
[nH]1nnnc1C(NC1=NC(Cc2c1cccc2)(C)C)Cc1ccccc1 | 0 |
Clc1cc2nc(n(c2cc1)C(CC(=O)NC(C)C)CC)N | 0 |
Clc1cc2nc([nH]c2cc1)N | 0 |
Clc1cc2nc(n(c2cc1)CCCC(=O)NCC[NH+]1CCOCC1)N | 0 |
Clc1cc2nc(n(c2cc1)C(CC(=O)NCC1CCOCC1)CC)N | 0 |
Clc1cc2nc(n(c2cc1)C(CC(=O)NCc1ncccc1)CC)N | 0 |
Brc1cc(ccc1)C1CC1C=1N=C(N)N(C)C(=O)C=1 | 0 |
O=C1N(C)C(=NC(=C1)C1CC1c1cc(ccc1)-c1ccccc1)N | 0 |
Clc1cc2nc(n(c2cc1)CCCC(=O)NCC1CC1)N | 0 |