smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H](O)c2cc3c(cc2[N-]S(=O)(=O)c2ccc(C)cc2)OCCO3)cc1 ZINC000004244675 568939589 /nfs/dbraw/zinc/93/95/89/568939589.db2.gz NSVINSPRWGVMBW-QHCPKHFHSA-N -1 1 425.506 3.957 30 0 IHACMM Cc1ccc([C@@H](O)c2cc3c(cc2[N-]S(=O)(=O)c2ccc(C)cc2)OCCO3)cc1 ZINC000004244676 568939700 /nfs/dbraw/zinc/93/97/00/568939700.db2.gz NSVINSPRWGVMBW-HSZRJFAPSA-N -1 1 425.506 3.957 30 0 IHACMM