smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]2F)cc1I ZINC000077292553 569705604 /nfs/dbraw/zinc/70/56/04/569705604.db2.gz PLIRJOIEMCOPIZ-MNCSTQPFSA-N -1 2 452.069 -1.153 40 0 in-vitro JAABLM O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]2F)cc1I ZINC000077292553 569705603 /nfs/dbraw/zinc/70/56/03/569705603.db2.gz PLIRJOIEMCOPIZ-MNCSTQPFSA-N -1 2 452.069 -1.153 40 0 in-vitro JAABLM O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2F)cc1I ZINC000077292555 569705658 /nfs/dbraw/zinc/70/56/58/569705658.db2.gz PLIRJOIEMCOPIZ-FZGKIIIMSA-N -1 2 452.069 -1.153 40 0 in-vitro JAABLM O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2F)cc1I ZINC000077292555 569705657 /nfs/dbraw/zinc/70/56/57/569705657.db2.gz PLIRJOIEMCOPIZ-FZGKIIIMSA-N -1 2 452.069 -1.153 40 0 in-vitro JAABLM