smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C=Cc2cc([O-])ccc2C1=NNc1ccccc1 ZINC000006095688 560205271 /nfs/dbraw/zinc/20/52/71/560205271.db2.gz JVWRDWIVNBPMRR-ISLYRVAYSA-N -1 3 264.284 4.666 1 10 in-vitro CJCFHM