smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CCN2C(=O)[N-]C(=O)C(=CNN=c3[nH]c4c(c(=O)n(C)c(=O)n4C)n3C)C2=O)cc1OC ZINC000001874127 551720747 /nfs/dbraw/zinc/72/07/47/551720747.db2.gz JCLFRISYTXQNPF-QBFSEMIESA-N -1 0 526.510 -0.050 50 10 KBCARM