smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)COc1ccc([C@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 ZINC000001069390 557168403 /nfs/dbraw/zinc/16/84/03/557168403.db2.gz VZXVOBLGRSMRPJ-BXTJHSDWSA-N -1 0 413.857 4.417 1 10 HICFRM