smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(c2cc(C)c3cc(NC(=S)NCC[NH+](C)C)ccc3n2)CC1 ZINC000020153544 568590851 /nfs/dbraw/zinc/59/08/51/568590851.db2.gz FWOQORGCRAJKQQ-UHFFFAOYSA-N 1 3 400.596 2.944 50 30 HFEAHO CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000002260872 569325177 /nfs/dbraw/zinc/32/51/77/569325177.db2.gz VOLWGGFXFAQMNC-GEYIUBJWSA-N 1 3 415.606 2.762 50 30 HFEAHO CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(S(=O)(=O)NC)cc1 ZINC000002260871 569325215 /nfs/dbraw/zinc/32/52/15/569325215.db2.gz VOLWGGFXFAQMNC-DKNZLLBESA-N 1 3 415.606 2.762 50 30 HFEAHO