smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Nc1ccc(Cl)nn1)c1ccc(/N=C/c2ccccc2O)cc1 ZINC000100457139 208376757 /nfs/dbraw/zinc/37/67/57/208376757.db2.gz PTPZVGGAWQLHDD-YBFXNURJSA-N -2 2 388.836 3.387 50 30 GGEALL