smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)[P@](=O)([O-])O ZINC000026569978 202145835 /nfs/dbraw/zinc/14/58/35/202145835.db2.gz VGCLKYODUBTNNY-RXMQYKEDSA-N -1 1 344.220 -0.262 1 5 EBBFMM C[N+](C)(C)C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)([O-])[O-] ZINC000026983184 202151208 /nfs/dbraw/zinc/15/12/08/202151208.db2.gz PBXFYMBAUXCIFL-VIFPVBQESA-O -1 1 345.320 -0.365 1 5 EBBFMM O=c1[nH]c2cc([N+](=O)[O-])cc(C[NH2+]CCP(=O)([O-])[O-])c2[nH]c1=O ZINC000026505474 202145457 /nfs/dbraw/zinc/14/54/57/202145457.db2.gz CVVQUZACMDLTGQ-UHFFFAOYSA-N -1 1 344.220 -0.608 1 5 EBBFMM C[N+](C)(C)C[C@@H](Cn1cnc2c1ncnc2N)OCP(=O)([O-])[O-] ZINC000026983176 202151462 /nfs/dbraw/zinc/15/14/62/202151462.db2.gz PBXFYMBAUXCIFL-SECBINFHSA-O -1 1 345.320 -0.365 1 5 EBBFMM C[C@@H](NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)[P@](=O)([O-])O ZINC000026505709 202145730 /nfs/dbraw/zinc/14/57/30/202145730.db2.gz VGCLKYODUBTNNY-YFKPBYRVSA-N -1 1 344.220 -0.262 1 5 EBBFMM