smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000001218428 551627112 /nfs/dbraw/zinc/62/71/12/551627112.db2.gz CVEAVQSEDWPKQN-QNGOZBTKSA-N 1 1 529.544 4.382 10 10 KICEMO