smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc(Cl)n(CCO[P@@](=O)([O-])O)c2c(=O)n(C)c1=O ZINC000026643637 202146510 /nfs/dbraw/zinc/14/65/10/202146510.db2.gz HFCPAGJKJYNEMD-UHFFFAOYSA-N -1 2 338.644 -0.804 1 0 EBAFLM Cn1c2nc(Cl)n(CCO[P@](=O)([O-])O)c2c(=O)n(C)c1=O ZINC000026643637 202146513 /nfs/dbraw/zinc/14/65/13/202146513.db2.gz HFCPAGJKJYNEMD-UHFFFAOYSA-N -1 2 338.644 -0.804 1 0 EBAFLM O=C([O-])CCNC(=O)[C@@H](Cc1ccccc1)[NH2+]C[P@](=O)([O-])O ZINC000027561416 202157860 /nfs/dbraw/zinc/15/78/60/202157860.db2.gz RRECHJMJHOXSBV-LLVKDONJSA-N -1 2 330.277 -0.087 1 0 EBAFLM O=C([O-])CCNC(=O)[C@@H](Cc1ccccc1)[NH2+]C[P@@](=O)([O-])O ZINC000027561416 202157864 /nfs/dbraw/zinc/15/78/64/202157864.db2.gz RRECHJMJHOXSBV-LLVKDONJSA-N -1 2 330.277 -0.087 1 0 EBAFLM O=c1[nH]c(=O)n([C@@H]2C[C@H](F)[C@H](CO[P@](=O)([O-])O)O2)cc1F ZINC000029205226 202183270 /nfs/dbraw/zinc/18/32/70/202183270.db2.gz DFYACPPPTKHKFG-QTSITTDLSA-N -1 2 328.164 -0.589 1 0 EBAFLM O=c1[nH]c(=O)n([C@@H]2C[C@H](F)[C@H](CO[P@@](=O)([O-])O)O2)cc1F ZINC000029205226 202183273 /nfs/dbraw/zinc/18/32/73/202183273.db2.gz DFYACPPPTKHKFG-QTSITTDLSA-N -1 2 328.164 -0.589 1 0 EBAFLM O=c1[nH]c(=O)n([C@@H]2C[C@@H](F)[C@@H](CO[P@@](=O)([O-])O)O2)cc1F ZINC000169304585 226239110 /nfs/dbraw/zinc/23/91/10/226239110.db2.gz DFYACPPPTKHKFG-QXRNQMCJSA-N -1 2 328.164 -0.589 1 0 EBAFLM Cc1ncc(CO[P@@](=O)([O-])O)c(C[NH2+][C@@H](CO)C(=O)[O-])c1O ZINC000002047254 560186358 /nfs/dbraw/zinc/18/63/58/560186358.db2.gz ODVKKQWXKRZJLG-VIFPVBQESA-N -1 2 336.237 -0.760 1 0 in-vitro EBAFLM Cc1ncc(CO[P@](=O)([O-])O)c(C[NH2+][C@@H](CO)C(=O)[O-])c1O ZINC000002047254 560186360 /nfs/dbraw/zinc/18/63/60/560186360.db2.gz ODVKKQWXKRZJLG-VIFPVBQESA-N -1 2 336.237 -0.760 1 0 in-vitro EBAFLM Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)cc1Cl ZINC000013547779 560219617 /nfs/dbraw/zinc/21/96/17/560219617.db2.gz JXVVNBLPBHXIAA-RRKCRQDMSA-N -1 2 341.644 -0.763 1 0 in-vitro EBAFLM Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)cc1Cl ZINC000013547779 560219618 /nfs/dbraw/zinc/21/96/18/560219618.db2.gz JXVVNBLPBHXIAA-RRKCRQDMSA-N -1 2 341.644 -0.763 1 0 in-vitro EBAFLM O=[P@]([O-])(O)OC[C@H]1C[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O ZINC000103208355 219270858 /nfs/dbraw/zinc/27/08/58/219270858.db2.gz LMTPNQVTXJENPB-QQRDMOCMSA-N -1 2 330.237 -0.782 1 0 EBAFLM O=[P@@]([O-])(O)OC[C@H]1C[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O ZINC000103208355 219270860 /nfs/dbraw/zinc/27/08/60/219270860.db2.gz LMTPNQVTXJENPB-QQRDMOCMSA-N -1 2 330.237 -0.782 1 0 EBAFLM Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@H]1CO ZINC000003917949 560191323 /nfs/dbraw/zinc/19/13/23/560191323.db2.gz YHDKOVKCJODYNM-OXOINMOOSA-N -1 2 331.225 -0.976 1 0 in-vitro EBAFLM Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@H]1CO ZINC000003917949 560191324 /nfs/dbraw/zinc/19/13/24/560191324.db2.gz YHDKOVKCJODYNM-OXOINMOOSA-N -1 2 331.225 -0.976 1 0 in-vitro EBAFLM Cc1ncc(CO[P@@](=O)([O-])O)c(C[NH2+][C@H]2CO[N-]C2=O)c1O ZINC000002046990 560186299 /nfs/dbraw/zinc/18/62/99/560186299.db2.gz NNRZSZJOQKAGTO-VIFPVBQESA-N -1 2 333.237 -0.775 1 0 in-vitro EBAFLM Cc1ncc(CO[P@](=O)([O-])O)c(C[NH2+][C@H]2CO[N-]C2=O)c1O ZINC000002046990 560186301 /nfs/dbraw/zinc/18/63/01/560186301.db2.gz NNRZSZJOQKAGTO-VIFPVBQESA-N -1 2 333.237 -0.775 1 0 in-vitro EBAFLM