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)CCCCNc1ccc(NCCCC[NH+](C)C)c2c1C(=O)c1ccccc1C2=O ZINC000031438826 563083294 /nfs/dbraw/zinc/08/32/94/563083294.db2.gz VOMRWNYXCKZHQJ-UHFFFAOYSA-N 1 3 436.600 3.969 10 10 IHCEHO