smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(NC(=O)CC(=O)n2[n-]c(C)c([NH2+]Nc3cccc(C(=O)[O-])c3)c2=O)c1 ZINC000073275605 563171656 /nfs/dbraw/zinc/17/16/56/563171656.db2.gz TYEJEAXUAYHKNK-HTTCZEMDSA-N -1 2 439.428 2.136 1 10 IECFLM COc1cccc(NC(=O)CC(=O)n2[n-]c(C)c([NH2+]Nc3cccc(C(=O)[O-])c3)c2=O)c1 ZINC000073275610 563171661 /nfs/dbraw/zinc/17/16/61/563171661.db2.gz TYEJEAXUAYHKNK-PYLOGRKQSA-N -1 2 439.428 2.136 1 10 IECFLM COc1cccc(NC(=O)CC(=O)n2[n-]c(C)c([NH2+]Nc3cccc(C(=O)[O-])c3)c2=O)c1 ZINC000073275601 563171647 /nfs/dbraw/zinc/17/16/47/563171647.db2.gz TYEJEAXUAYHKNK-OQLSNTKOSA-N -1 2 439.428 2.136 1 10 IECFLM COc1cccc(NC(=O)CC(=O)n2[n-]c(C)c([NH2+]Nc3cccc(C(=O)[O-])c3)c2=O)c1 ZINC000073275599 563171649 /nfs/dbraw/zinc/17/16/49/563171649.db2.gz TYEJEAXUAYHKNK-DBJVNNKDSA-N -1 2 439.428 2.136 1 10 IECFLM