smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(C[NH2+]C[C@H](O)CN2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171050946 525818175 /nfs/dbraw/zinc/81/81/75/525818175.db2.gz DVDJNJUSQRJPRM-SFHVURJKSA-N 1 3 373.457 1.932 10 5 FDBEHO Cn1cc(C[NH2+]C[C@@H](O)CN2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171050950 525819164 /nfs/dbraw/zinc/81/91/64/525819164.db2.gz DVDJNJUSQRJPRM-GOSISDBHSA-N 1 3 373.457 1.932 10 5 FDBEHO