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/C(=C/c2ccccc2)CN([P@](=O)([O-])O)C/C1=C\c1ccccc1 ZINC000064512051 205298733 /nfs/dbraw/zinc/29/87/33/205298733.db2.gz VNJUHXFFFUNPHM-JYFOCSDGSA-N -1 2 355.330 3.131 1 30 FGEFLM O=C1/C(=C/c2ccccc2)CN([P@@](=O)([O-])O)C/C1=C\c1ccccc1 ZINC000064512051 205298739 /nfs/dbraw/zinc/29/87/39/205298739.db2.gz VNJUHXFFFUNPHM-JYFOCSDGSA-N -1 2 355.330 3.131 1 30 FGEFLM COc1ccc(C(=O)/C=C/c2ccc(OC)c(O[P@@](=O)([O-])O)c2)cc1 ZINC000045347613 208331424 /nfs/dbraw/zinc/33/14/24/208331424.db2.gz FRSISINFNMXLDI-YCRREMRBSA-N -1 2 364.290 3.071 1 30 FGEFLM COc1ccc(C(=O)/C=C/c2ccc(OC)c(O[P@](=O)([O-])O)c2)cc1 ZINC000045347613 208331429 /nfs/dbraw/zinc/33/14/29/208331429.db2.gz FRSISINFNMXLDI-YCRREMRBSA-N -1 2 364.290 3.071 1 30 FGEFLM CCCCCCCC[P+](C)(C)CC(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000049881426 221028991 /nfs/dbraw/zinc/02/89/91/221028991.db2.gz NMFRBBAZKUTNDW-UHFFFAOYSA-O -1 2 363.288 3.306 1 30 FGEFLM CCCCCCCC[P+](C)(C)CC(P(=O)([O-])O)[P@](=O)([O-])O ZINC000049881426 221028994 /nfs/dbraw/zinc/02/89/94/221028994.db2.gz NMFRBBAZKUTNDW-UHFFFAOYSA-O -1 2 363.288 3.306 1 30 FGEFLM N#Cc1cccc(-c2cc(-c3cccc(C#N)c3)c(=O)c(O)c(O)c2O)c1 ZINC000013775901 220093966 /nfs/dbraw/zinc/09/39/66/220093966.db2.gz XGULXRLVDYUYGZ-UHFFFAOYSA-N -1 2 356.337 3.241 1 30 FGEFLM CCCCCCCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O[P@@](=O)([O-])O ZINC000043443308 205102959 /nfs/dbraw/zinc/10/29/59/205102959.db2.gz KXPPMEVEDMIOAM-DOTOQJQBSA-N -1 2 355.371 3.238 1 30 FGEFLM CCCCCCCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O[P@](=O)([O-])O ZINC000043443308 205102962 /nfs/dbraw/zinc/10/29/62/205102962.db2.gz KXPPMEVEDMIOAM-DOTOQJQBSA-N -1 2 355.371 3.238 1 30 FGEFLM