smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CO[P@](=O)([O-])O ZINC000013507589 560217736 /nfs/dbraw/zinc/21/77/36/560217736.db2.gz VHUBNUSXPIJYSG-MVRGCTHJSA-N -1 2 370.470 6.241 1 0 in-vitro FKAFLM CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CO[P@@](=O)([O-])O ZINC000013507589 560217734 /nfs/dbraw/zinc/21/77/34/560217734.db2.gz VHUBNUSXPIJYSG-MVRGCTHJSA-N -1 2 370.470 6.241 1 0 in-vitro FKAFLM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CO[P@](=O)([O-])O ZINC000013507593 560217694 /nfs/dbraw/zinc/21/76/94/560217694.db2.gz VHUBNUSXPIJYSG-KWBDAJKESA-N -1 2 370.470 6.241 1 0 in-vitro FKAFLM CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CO[P@@](=O)([O-])O ZINC000013507593 560217692 /nfs/dbraw/zinc/21/76/92/560217692.db2.gz VHUBNUSXPIJYSG-KWBDAJKESA-N -1 2 370.470 6.241 1 0 in-vitro FKAFLM O=[P@]([O-])(O)C(F)(F)c1ccc(-c2cccc(Cc3ccccc3)c2)cc1 ZINC000096284991 209150559 /nfs/dbraw/zinc/15/05/59/209150559.db2.gz DHAGVPJWXGYSAY-UHFFFAOYSA-N -1 2 374.323 5.171 1 0 FKAFLM O=[P@@]([O-])(O)C(F)(F)c1ccc(-c2cccc(Cc3ccccc3)c2)cc1 ZINC000096284991 209150556 /nfs/dbraw/zinc/15/05/56/209150556.db2.gz DHAGVPJWXGYSAY-UHFFFAOYSA-N -1 2 374.323 5.171 1 0 FKAFLM