smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=N/O)c(-c2ccccc2/C=N/[O-])c(OC)c1OC ZINC000040917310 213399197 /nfs/dbraw/zinc/39/91/97/213399197.db2.gz XQFLBDCMATYBRE-VNIJRHKQSA-N -2 1 330.340 2.996 1 30 EFEFML CC(C)C1=C([O-])C(C(=O)[O-])=C([C@]2(C)CCCC(C)(C)C2=O)C(=O)C1=O ZINC000095919419 560054447 /nfs/dbraw/zinc/05/44/47/560054447.db2.gz SGKJGYABTMHZMR-IBGZPJMESA-N -2 1 348.395 2.773 1 30 biogenic,in-vitro EFEFML