smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC/C=C\CCCCCC/C(C(=O)O)=C(\C)C(=O)[O-] ZINC000014276204 220121707 /nfs/dbraw/zinc/12/17/07/220121707.db2.gz VTTDLGQEAGEBOQ-PLWCYHAZSA-N -1 2 352.515 6.120 10 30 in-vitro FKEELM CCCCCCCCO[C@@](CCCCCCCC)(CC(=O)O)C(=O)[O-] ZINC000100063910 222234032 /nfs/dbraw/zinc/23/40/32/222234032.db2.gz FOKDEAIUZKGVHE-FQEVSTJZSA-N -1 2 358.519 5.412 10 30 FKEELM CCCCCCCCCCCCCCCC/C=C\[C@@H](CC(=O)O)C(=O)[O-] ZINC000100306737 209212600 /nfs/dbraw/zinc/21/26/00/209212600.db2.gz GYTGJCPXNGAJFT-IVFAQJDTSA-N -1 2 368.558 6.590 10 30 FKEELM CCCCCCCCCCCCCCCC/C=C\[C@H](CC(=O)O)C(=O)[O-] ZINC000100306738 222240788 /nfs/dbraw/zinc/24/07/88/222240788.db2.gz GYTGJCPXNGAJFT-ZGAGMJPPSA-N -1 2 368.558 6.590 10 30 FKEELM CCCCCCCCCCCCCCCCCC[C@@H](CC(=O)[O-])C(=O)O ZINC000111413972 209332075 /nfs/dbraw/zinc/33/20/75/209332075.db2.gz ZPJDFKVKOFGAFV-FQEVSTJZSA-N -1 2 370.574 6.814 10 30 FKEELM CCCCCCCCCCCCCCCCCC[C@H](CC(=O)[O-])C(=O)O ZINC000111413975 209333237 /nfs/dbraw/zinc/33/32/37/209333237.db2.gz ZPJDFKVKOFGAFV-HXUWFJFHSA-N -1 2 370.574 6.814 10 30 FKEELM