smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCOC[C@@H](CO[P@@](=O)([O-])O)OCCCCCCCC ZINC000036179006 541108758 /nfs/dbraw/zinc/10/87/58/541108758.db2.gz GDLXQEKNJMCXRS-IBGZPJMESA-N -1 2 396.505 5.219 1 30 GKEFLM CCCCCCCCOC[C@@H](CO[P@](=O)([O-])O)OCCCCCCCC ZINC000036179006 541108761 /nfs/dbraw/zinc/10/87/61/541108761.db2.gz GDLXQEKNJMCXRS-IBGZPJMESA-N -1 2 396.505 5.219 1 30 GKEFLM CCCCCCCCCCCCCC/C=C\OC[C@@H](O)CO[P@@](=O)([O-])O ZINC000032839081 571744817 /nfs/dbraw/zinc/74/48/17/571744817.db2.gz LBGSRVIXIVDRQM-OAXWQBPPSA-N -1 2 394.489 5.078 1 30 endogenous,in-man GKEFLM CCCCCCCCCCCCCC/C=C\OC[C@@H](O)CO[P@](=O)([O-])O ZINC000032839081 571744821 /nfs/dbraw/zinc/74/48/21/571744821.db2.gz LBGSRVIXIVDRQM-OAXWQBPPSA-N -1 2 394.489 5.078 1 30 endogenous,in-man GKEFLM CCCCCCCCOC[C@H](CO[P@@](=O)([O-])O)OCCCCCCCC ZINC000038155532 541109241 /nfs/dbraw/zinc/10/92/41/541109241.db2.gz GDLXQEKNJMCXRS-LJQANCHMSA-N -1 2 396.505 5.219 1 30 GKEFLM CCCCCCCCOC[C@H](CO[P@](=O)([O-])O)OCCCCCCCC ZINC000038155532 541109244 /nfs/dbraw/zinc/10/92/44/541109244.db2.gz GDLXQEKNJMCXRS-LJQANCHMSA-N -1 2 396.505 5.219 1 30 GKEFLM CC1(C)CCC(C)(C)c2cc(C(=O)C=C(O)c3ccc(C(=O)[O-])cc3)c(O)cc21 ZINC000100985953 211394359 /nfs/dbraw/zinc/39/43/59/211394359.db2.gz LGVRSJKCPCTEND-BKUYFWCQSA-N -1 2 394.467 5.221 1 30 GKEFLM