smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(C=O)c([O-])c(C)c([O-])c1C(=O)/C=C/c1ccccc1 ZINC000015217537 560229380 /nfs/dbraw/zinc/22/93/80/560229380.db2.gz UPZRKLKRPSEKAT-CMDGGOBGSA-N -2 3 312.321 3.123 1 30 biogenic,in-vitro DGEFHL O=C(/C=C/c1cc(=O)oc2cc([O-])ccc12)c1ccc([O-])cc1 ZINC000064549145 184299438 /nfs/dbraw/zinc/29/94/38/184299438.db2.gz ANEOHHSXEAQUBC-FPYGCLRLSA-N -2 3 308.289 3.100 1 30 DGEFHL CO/N=C1\C[C@H]2[C@@](C)(C(=O)[O-])CCC[C@]2(C)c2cc([O-])ccc21 ZINC000064559292 184299541 /nfs/dbraw/zinc/29/95/41/184299541.db2.gz QRSPYVPCJVVIJC-NUWXJVFMSA-N -2 3 317.385 3.295 1 30 DGEFHL