smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C2 ZINC000787340948 1068018245 /nfs/dbraw/zinc/01/82/45/1068018245.db2.gz OHTIXLAXPXNDGH-UHFFFAOYSA-N -1 3 438.466 -1.134 20 10 IACDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000919810000 1067938659 /nfs/dbraw/zinc/93/86/59/1067938659.db2.gz QJTMHOHGOAUZNE-UHFFFAOYSA-N -1 3 440.478 -1.093 20 10 IACDHM