smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cc(O)ccc1Br ZINC000334162678 568763841 /nfs/dbraw/zinc/76/38/41/568763841.db2.gz FDJIEFBIDOUORK-WDZFZDKYSA-N -2 2 411.614 3.409 50 10 HGCALL O=C1N[C@@H](c2cc(Br)c(O)c(Br)c2O)Nc2ccccc21 ZINC000018192949 560782137 /nfs/dbraw/zinc/78/21/37/560782137.db2.gz WIDDFSORMOONNG-ZDUSSCGKSA-N -2 2 414.053 3.477 50 10 HGCALL O=C1N[C@H](c2cc(Br)c(O)c(Br)c2O)Nc2ccccc21 ZINC000018192952 560782152 /nfs/dbraw/zinc/78/21/52/560782152.db2.gz WIDDFSORMOONNG-CYBMUJFWSA-N -2 2 414.053 3.477 50 10 HGCALL