smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO[P@](=O)([O-])O)O[C@@](O)(C(=O)[O-])C[C@@H]1O ZINC000004097064 574412212 /nfs/dbraw/zinc/41/22/12/574412212.db2.gz SQMNIXJSBCSNCI-YRMXFSIDSA-N -2 2 389.250 -3.755 10 0 endogenous,in-man GAAELL CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO[P@@](=O)([O-])O)O[C@@](O)(C(=O)[O-])C[C@@H]1O ZINC000004097064 574412211 /nfs/dbraw/zinc/41/22/11/574412211.db2.gz SQMNIXJSBCSNCI-YRMXFSIDSA-N -2 2 389.250 -3.755 10 0 endogenous,in-man GAAELL CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO[P@](=O)([O-])O)O[C@](O)(C(=O)[O-])C[C@@H]1O ZINC000004097065 571685446 /nfs/dbraw/zinc/68/54/46/571685446.db2.gz SQMNIXJSBCSNCI-PFQGKNLYSA-N -2 2 389.250 -3.755 10 0 endogenous,in-man GAAELL CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO[P@@](=O)([O-])O)O[C@](O)(C(=O)[O-])C[C@@H]1O ZINC000004097065 571685442 /nfs/dbraw/zinc/68/54/42/571685442.db2.gz SQMNIXJSBCSNCI-PFQGKNLYSA-N -2 2 389.250 -3.755 10 0 endogenous,in-man GAAELL