smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc2c([nH]1)-c1c(C(=O)N[C@H]3SC(=O)NC3=O)cc(C(=O)[O-])nc1C(=O)C2=O ZINC001152236465 1073125451 /nfs/dbraw/zinc/12/54/51/1073125451.db2.gz SMUKAKLFUFXFKR-AWEZNQCLSA-N -2 2 444.337 -0.109 20 10 IBCDLL O=C([O-])c1cc2c([nH]1)-c1c(C(=O)N[C@@H]3SC(=O)NC3=O)cc(C(=O)[O-])nc1C(=O)C2=O ZINC001152236466 1073125376 /nfs/dbraw/zinc/12/53/76/1073125376.db2.gz SMUKAKLFUFXFKR-CQSZACIVSA-N -2 2 444.337 -0.109 20 10 IBCDLL