smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1nc2n(C[C@@H](O)[C@@H](O)[C@H](O)CO)c3ccccc3nc-2c(=O)[nH]1 ZINC000012495273 571694270 /nfs/dbraw/zinc/69/42/70/571694270.db2.gz ATANIONNQLTUND-CKYFFXLPSA-N 0 2 348.315 -2.340 1 5 endogenous,in-man EABFLN