smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@]1(O)c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](O)[C@@H]3C[C@@H]21 ZINC000071769623 558911130 /nfs/dbraw/zinc/91/11/30/558911130.db2.gz LPSSWZRUPPZJDA-HLRBQJGJSA-N -2 1 417.370 -0.784 50 30 HBEAML C[C@@]1(O)c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](O)[C@@H]3C[C@H]21 ZINC000071769624 558911075 /nfs/dbraw/zinc/91/10/75/558911075.db2.gz LPSSWZRUPPZJDA-FLTAXIKTSA-N -2 1 417.370 -0.784 50 30 HBEAML