smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O ZINC000104861721 186029135 /nfs/dbraw/zinc/02/91/35/186029135.db2.gz VFRROHXSMXFLSN-AZGQCCRYSA-N -1 2 260.135 -3.262 1 30 CAEFLM O=C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O ZINC000104861721 186029137 /nfs/dbraw/zinc/02/91/37/186029137.db2.gz VFRROHXSMXFLSN-AZGQCCRYSA-N -1 2 260.135 -3.262 1 30 CAEFLM O=C[C@@](O)(CO[P@@](=O)([O-])O)[C@H](O)[C@H](O)CO ZINC000013507833 560217717 /nfs/dbraw/zinc/21/77/17/560217717.db2.gz RIOZVCDMYGAYCJ-HSUXUTPPSA-N -1 2 260.135 -3.260 1 30 in-vitro CAEFLM O=C[C@@](O)(CO[P@](=O)([O-])O)[C@H](O)[C@H](O)CO ZINC000013507833 560217719 /nfs/dbraw/zinc/21/77/19/560217719.db2.gz RIOZVCDMYGAYCJ-HSUXUTPPSA-N -1 2 260.135 -3.260 1 30 in-vitro CAEFLM O=C(NO)[C@@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000005830355 170145112 /nfs/dbraw/zinc/14/51/12/170145112.db2.gz OHQFMJPEBPCIEQ-JJYYJPOSSA-N -1 2 261.123 -3.316 1 30 in-vivo CAEFLM O=C(NO)[C@@H](O)[C@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000005830355 170145113 /nfs/dbraw/zinc/14/51/13/170145113.db2.gz OHQFMJPEBPCIEQ-JJYYJPOSSA-N -1 2 261.123 -3.316 1 30 in-vivo CAEFLM NC(=[NH2+])NCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000005828696 170144570 /nfs/dbraw/zinc/14/45/70/170144570.db2.gz AOIXVCKLMKQFPC-UHFFFAOYSA-N -1 2 277.110 -2.349 1 30 CAEFLM NC(=[NH2+])NCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O ZINC000005828696 170144572 /nfs/dbraw/zinc/14/45/72/170144572.db2.gz AOIXVCKLMKQFPC-UHFFFAOYSA-N -1 2 277.110 -2.349 1 30 CAEFLM