smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[NH+]1CCC(C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC1 ZINC000034016163 553980313 /nfs/dbraw/zinc/98/03/13/553980313.db2.gz NXUHVWMBPOFLMA-UHFFFAOYSA-N 1 2 518.510 3.138 10 30 in-vitro KGEELO O=[N+]([O-])c1ccc(O)c(CN=Nc2nc(OCC(F)(F)F)nc(N3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000044460015 554302212 /nfs/dbraw/zinc/30/22/12/554302212.db2.gz BNAATDPLSIEKSG-UVHMKAGCSA-N 1 2 532.483 3.195 10 30 KGEELO