smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2ccc(C(=O)[N-]c3cc([N+](=O)[O-])ccc3Cl)o2)cc1C ZINC000006301370 571295730 /nfs/dbraw/zinc/29/57/30/571295730.db2.gz NRPZQVMIGGTEMC-UHFFFAOYSA-N -1 3 370.792 5.377 40 5 FKBBHM [O-]c1ccc(CSc2nc3ccccc3c3ccccc32)c2cccnc12 ZINC000016525566 204637750 /nfs/dbraw/zinc/63/77/50/204637750.db2.gz HBUOZLOCDWPACL-UHFFFAOYSA-N -1 3 368.461 5.934 40 5 FKBBHM Cc1ccc(-c2ccc(C(=O)[N-]c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1C ZINC000033759382 571305841 /nfs/dbraw/zinc/30/58/41/571305841.db2.gz BRZIZRBFBBAGRM-UHFFFAOYSA-N -1 3 370.792 5.377 40 5 FKBBHM