smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000059315955 195397646 /nfs/dbraw/zinc/39/76/46/195397646.db2.gz OJPAXUDQRUUIKJ-PDGQHHTCSA-N -1 1 451.891 3.660 10 10 JHCEMM O=C([O-])c1ccc(-n2cccc2/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000059315960 195397594 /nfs/dbraw/zinc/39/75/94/195397594.db2.gz LGOKCPVJFFWIGN-PDGQHHTCSA-N -1 1 496.342 3.769 10 10 JHCEMM O=C([O-])c1cccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Br)cc4)C3=O)o2)c1 ZINC000002920209 526387141 /nfs/dbraw/zinc/38/71/41/526387141.db2.gz PDUGQOOAQRDTFD-GZTJUZNOSA-N -1 1 453.248 3.869 10 10 JHCEMM