smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1c2ccccc2c2ccccc2c([O-])c1Sc1c(=O)c2ccccc2c2ccccc2c1O ZINC000001619539 562921654 /nfs/dbraw/zinc/92/16/54/562921654.db2.gz LLNGOGFIWWJSKT-UHFFFAOYSA-N -1 2 474.537 6.582 1 5 JKBFLM CC(C)=CCC/C(C)=C/Cc1c(=O)cc(O)c2c(O)c3c(cc([O-])c4c3C=CC(C)(C)O4)oc1-2 ZINC000014829678 560227094 /nfs/dbraw/zinc/22/70/94/560227094.db2.gz GOLPEIAEOMFCOY-CXUHLZMHSA-N -1 2 462.542 6.482 1 5 biogenic,in-vitro JKBFLM