smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCNc1ccc2oc3ccccc3c3c2c1cn3CC[NH+](C)C ZINC000040575316 205073571 /nfs/dbraw/zinc/07/35/71/205073571.db2.gz ZKSXDMUBUBXBIB-UHFFFAOYSA-N 1 3 364.493 4.076 1 5 FIBFHO