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(=N\N=c2nc3[nH]onc-3nc2Nc2ccc(Br)cc2)C(=O)N1 ZINC000408721051 556148162 /nfs/dbraw/zinc/14/81/62/556148162.db2.gz JECCWDMBFDCUPY-UHFFFAOYSA-N -1 2 446.181 -0.503 40 30 IBEBLM O=C1[N-]C(=O)/C(=N/N=c2nc3[nH]onc-3nc2Nc2ccc(Br)cc2)C(=O)N1 ZINC000408721051 556148159 /nfs/dbraw/zinc/14/81/59/556148159.db2.gz JECCWDMBFDCUPY-UHFFFAOYSA-N -1 2 446.181 -0.503 40 30 IBEBLM