smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc2[n-]c(O)c(C(=O)N(C)c3ccccc3)c(=O)c2c1 ZINC000028000839 202163924 /nfs/dbraw/zinc/16/39/24/202163924.db2.gz XNVYBMOZVZPJQA-UHFFFAOYSA-N -1 2 340.404 3.232 1 0 EGAFLM COc1cc(/C=C/c2ccc(O[P@@](=O)([O-])O)cc2)cc(OC)c1 ZINC000029123578 202182033 /nfs/dbraw/zinc/18/20/33/202182033.db2.gz YEYYONQIEGEOIL-ONEGZZNKSA-N -1 2 336.280 3.346 1 0 EGAFLM COc1cc(/C=C/c2ccc(O[P@](=O)([O-])O)cc2)cc(OC)c1 ZINC000029123578 202182036 /nfs/dbraw/zinc/18/20/36/202182036.db2.gz YEYYONQIEGEOIL-ONEGZZNKSA-N -1 2 336.280 3.346 1 0 EGAFLM CSc1nc(-c2ccc([P@@](=O)([O-])O)o2)c(CC(C)C)s1 ZINC000066099551 215010073 /nfs/dbraw/zinc/01/00/73/215010073.db2.gz RGIYPSOAGCFSHX-UHFFFAOYSA-N -1 2 333.371 3.127 1 0 EGAFLM CSc1nc(-c2ccc([P@](=O)([O-])O)o2)c(CC(C)C)s1 ZINC000066099551 215010075 /nfs/dbraw/zinc/01/00/75/215010075.db2.gz RGIYPSOAGCFSHX-UHFFFAOYSA-N -1 2 333.371 3.127 1 0 EGAFLM [O-]c1ccc(Cl)cc1-c1nnc(-c2cc(Cl)ccc2O)nn1 ZINC000040763201 213384279 /nfs/dbraw/zinc/38/42/79/213384279.db2.gz TWPCFULIQDPWLO-UHFFFAOYSA-N -1 2 335.150 3.319 1 0 EGAFLM