smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(=O)c(-c2c(-c3cccc(Cl)c3)nc3[nH]c(=O)[nH]c([O-])c2-3)c(-n2cccc2)[nH]1 ZINC000020896812 527441721 /nfs/dbraw/zinc/44/17/21/527441721.db2.gz HUFFHKMUETXTNF-UHFFFAOYSA-N -2 3 436.815 1.699 10 0 IDAEHL