smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CC[NH+](C5CCOCC5)CC4)cc32)c1C ZINC000218150627 562877854 /nfs/dbraw/zinc/87/78/54/562877854.db2.gz JZZKTJXDYRSUIH-OOAXWGSJSA-N 2 0 547.744 4.554 1 70 KJIFRP