smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000033356122 553939384 /nfs/dbraw/zinc/93/93/84/553939384.db2.gz MXFQTFJWHIBMGA-UHFFFAOYSA-N 2 2 559.623 4.217 50 5 KIBALP COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000101349781 554738105 /nfs/dbraw/zinc/73/81/05/554738105.db2.gz BVMYZZPWRUTCMP-UHFFFAOYSA-N 2 2 547.612 4.057 50 5 KIBALP