smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C(N)NN=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)[C@H](O)c1ccc([C@H](O)C(=NNC(=N)N)c2nc3ccc([N+](=O)[O-])cc3[nH]c2=O)cc1 ZINC000196276966 571564088 /nfs/dbraw/zinc/56/40/88/571564088.db2.gz ZUNKTBISFKRYPV-RREGGUGOSA-N 0 3 684.590 0.642 50 30 KCEAHN N=C(N)NN=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)[C@H](O)c1ccc([C@H](O)C(=NNC(=N)N)c2nc3ccc([N+](=O)[O-])cc3[nH]c2=O)cc1 ZINC000196276974 571564124 /nfs/dbraw/zinc/56/41/24/571564124.db2.gz ZUNKTBISFKRYPV-MLXLPJMBSA-N 0 3 684.590 0.642 50 30 KCEAHN