smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(CNc2ccc(C(=O)NC(CC(=O)[O-])CC(=O)[O-])cc2)ccc2nc(N)nc(N)c12 ZINC000001870363 562923937 /nfs/dbraw/zinc/92/39/37/562923937.db2.gz WSUHKUHBZFBXJE-UHFFFAOYSA-N -2 1 452.471 1.763 10 0 JDAEML Cc1c(CNc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)ccc2nc(N)nc(N)c12 ZINC000021289010 563016619 /nfs/dbraw/zinc/01/66/19/563016619.db2.gz GNFFWMJNLXIQMI-INIZCTEOSA-N -2 1 452.471 1.763 10 0 JDAEML O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CCN[C@H]2CNC(=O)c1cc2cc(F)ccc2[nH]1 ZINC000028456616 563064153 /nfs/dbraw/zinc/06/41/53/563064153.db2.gz AHNINDXHAUPKPK-ZDUSSCGKSA-N -2 1 460.443 1.707 10 0 JDAEML