smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000218148274 568475864 /nfs/dbraw/zinc/47/58/64/568475864.db2.gz SQXSFDGUUQKPDC-CABCVRRESA-N 1 1 402.451 0.826 50 70 HCIAMO CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000218148339 568475962 /nfs/dbraw/zinc/47/59/62/568475962.db2.gz SQXSFDGUUQKPDC-GJZGRUSLSA-N 1 1 402.451 0.826 50 70 HCIAMO O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCCC[NH+]1CCOCC1 ZINC000218160234 568475900 /nfs/dbraw/zinc/47/59/00/568475900.db2.gz LPUFQFPVPIRIBJ-INIZCTEOSA-N 1 1 408.886 0.989 50 70 HCIAMO