smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(C(=O)C[C@H](NC(=O)C=Cc2cc(Cl)ccc2-n2cnnn2)c2nc(-c3ccc4[nH]c(=O)cc([O-])c4c3)c(Cl)[nH]2)CC1 ZINC000217356091 562877540 /nfs/dbraw/zinc/87/75/40/562877540.db2.gz NBMJTOOHXJGJNZ-RJOTYRNVSA-N -1 3 663.526 2.941 1 70 in-vitro KFIFHM