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([O-])c1ccccc1N[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000003870065 560190644 /nfs/dbraw/zinc/19/06/44/560190644.db2.gz PMFMJXPRNJUYMB-ZDCRXTMVSA-N -2 2 349.232 -0.647 1 0 in-vitro EBAFLL O=C([O-])c1ccccc1N[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000003870065 560190645 /nfs/dbraw/zinc/19/06/45/560190645.db2.gz PMFMJXPRNJUYMB-ZDCRXTMVSA-N -2 2 349.232 -0.647 1 0 in-vitro EBAFLL Cc1cc(C)nc(NCCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O)n1 ZINC000001859958 377162854 /nfs/dbraw/zinc/16/28/54/377162854.db2.gz QLPMIRMKWMMPBF-UHFFFAOYSA-N -2 2 341.197 -0.103 1 0 EBAFLL Cc1cc(C)nc(NCCC(O)(P(=O)([O-])O)[P@](=O)([O-])O)n1 ZINC000001859958 377162870 /nfs/dbraw/zinc/16/28/70/377162870.db2.gz QLPMIRMKWMMPBF-UHFFFAOYSA-N -2 2 341.197 -0.103 1 0 EBAFLL O=c1[nH]c(=O)n([C@@H]2C[C@@H](F)[C@@H](CO[P@](=O)([O-])O)O2)cc1F ZINC000169304585 226239107 /nfs/dbraw/zinc/23/91/07/226239107.db2.gz DFYACPPPTKHKFG-QXRNQMCJSA-N -3 2 328.164 -0.589 1 0 EBAFLL O=C([O-])c1ccccc1N[C@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000003870067 560190625 /nfs/dbraw/zinc/19/06/25/560190625.db2.gz PMFMJXPRNJUYMB-VLEAKVRGSA-N -2 2 349.232 -0.647 1 0 in-vitro EBAFLL O=C([O-])c1ccccc1N[C@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000003870067 560190626 /nfs/dbraw/zinc/19/06/26/560190626.db2.gz PMFMJXPRNJUYMB-VLEAKVRGSA-N -2 2 349.232 -0.647 1 0 in-vitro EBAFLL O=c1c(O[C@H]2OC[C@H](O)[C@@H](O)[C@H]2O)coc2cc(O)cc(O)c21 ZINC000095919263 560054558 /nfs/dbraw/zinc/05/45/58/560054558.db2.gz OZPUECXAPPJJNO-AWUDHZIESA-N -2 2 326.257 -0.978 1 0 biogenic,in-vitro EBAFLL O=C([O-])c1ccccc1N[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000003870066 560190584 /nfs/dbraw/zinc/19/05/84/560190584.db2.gz PMFMJXPRNJUYMB-LNFKQOIKSA-N -2 2 349.232 -0.647 1 0 in-vitro EBAFLL O=C([O-])c1ccccc1N[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000003870066 560190586 /nfs/dbraw/zinc/19/05/86/560190586.db2.gz PMFMJXPRNJUYMB-LNFKQOIKSA-N -2 2 349.232 -0.647 1 0 in-vitro EBAFLL O=C([O-])c1ccccc1N[C@@H]1O[C@@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000003870068 560190598 /nfs/dbraw/zinc/19/05/98/560190598.db2.gz PMFMJXPRNJUYMB-ZRUFSTJUSA-N -2 2 349.232 -0.647 1 0 in-vitro EBAFLL O=C([O-])c1ccccc1N[C@@H]1O[C@@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000003870068 560190600 /nfs/dbraw/zinc/19/06/00/560190600.db2.gz PMFMJXPRNJUYMB-ZRUFSTJUSA-N -2 2 349.232 -0.647 1 0 in-vitro EBAFLL