smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)c(=O)[nH]1 ZINC000003592628 206250504 /nfs/dbraw/zinc/25/05/04/206250504.db2.gz HXJCRKAPBPSPMX-XLPZGREQSA-N -1 2 375.278 -0.691 10 0 in-vitro GBAELM CCNc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)c(=O)[nH]1 ZINC000003592628 206250498 /nfs/dbraw/zinc/25/04/98/206250498.db2.gz HXJCRKAPBPSPMX-XLPZGREQSA-N -1 2 375.278 -0.691 10 0 in-vitro GBAELM CSc1[nH+]cnc2c1ccn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O ZINC000017130262 207084851 /nfs/dbraw/zinc/08/48/51/207084851.db2.gz RDLNVHQUQZBWDF-KZFFXBSXSA-N -1 2 377.315 -0.118 10 0 GBAELM CSc1[nH+]cnc2c1ccn2[C@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O ZINC000017130264 221379785 /nfs/dbraw/zinc/37/97/85/221379785.db2.gz RDLNVHQUQZBWDF-XBWDGYHZSA-N -1 2 377.315 -0.118 10 0 GBAELM Nc1nc(Cl)nc2c1ncn2[C@@H]1[C@H]2C[C@@]2(CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000095559301 530117287 /nfs/dbraw/zinc/11/72/87/530117287.db2.gz FTSUGKZNIRUKKK-OBPILZPTSA-N -1 2 391.708 -0.546 10 0 GBAELM Nc1nc(Cl)nc2c1ncn2[C@@H]1[C@H]2C[C@@]2(CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000095559301 530117282 /nfs/dbraw/zinc/11/72/82/530117282.db2.gz FTSUGKZNIRUKKK-OBPILZPTSA-N -1 2 391.708 -0.546 10 0 GBAELM