smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC/C=C/c1ccc(C(=O)[O-])cc1 ZINC000014980560 188106124 /nfs/dbraw/zinc/10/61/24/188106124.db2.gz JTHZAVVKBXFKBL-BQYQJAHWSA-N -1 0 232.323 4.368 1 30 BIEFRM C=C(C(=O)[O-])[C@H]1C/C=C(\C)CC/C=C(\C)CC1 ZINC000015255651 560229670 /nfs/dbraw/zinc/22/96/70/560229670.db2.gz IBJVPIJUFFVDBS-JBMXZMKISA-N -1 0 234.339 4.100 1 30 biogenic,in-vitro BIEFRM C=C(C(=O)[O-])[C@]1(C)CC[C@]2(C)CCCC(=C)[C@H]2C1 ZINC000033830340 290794103 /nfs/dbraw/zinc/79/41/03/290794103.db2.gz CYEPMWTWHPYWLF-VNQPRFMTSA-N -1 0 248.366 4.180 1 30 biogenic,in-vitro BIEFRM C=C(C)[C@@H]1CCCC(C(=O)[O-])=C2CC[C@H](C)[C@@H]2C1 ZINC000059589179 560082608 /nfs/dbraw/zinc/08/26/08/560082608.db2.gz TUBOXLVGLLONIH-ZOWXZIJZSA-N -1 0 248.366 4.180 1 30 biogenic,in-vitro BIEFRM