smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1c[nH]c(NC(=O)c2ccc(O)c(C#N)c2)n1 ZINC001193499878 746121396 /nfs/dbraw/zinc/12/13/96/746121396.db2.gz WTNYDDUZTSXTBF-UHFFFAOYSA-N -2 2 300.274 1.416 20 30 DDEDLL CCOC(=O)c1c[nH]c(NC(=O)c2ccc([O-])c(C#N)c2)n1 ZINC001193499878 746121398 /nfs/dbraw/zinc/12/13/98/746121398.db2.gz WTNYDDUZTSXTBF-UHFFFAOYSA-N -2 2 300.274 1.416 20 30 DDEDLL N#Cc1cccc(-c2cc(O)cc(C(=O)NCc3nn[nH]n3)c2)c1 ZINC001196321046 746831859 /nfs/dbraw/zinc/83/18/59/746831859.db2.gz UDXGUAOXDTYZPA-UHFFFAOYSA-N -2 2 320.312 1.374 20 30 DDEDLL CCOC(=O)c1nc(NS(=O)(=O)c2cccc(C#N)c2)c[nH]1 ZINC000618906739 363792663 /nfs/dbraw/zinc/79/26/63/363792663.db2.gz VUEWNHKUSDBZJL-UHFFFAOYSA-N -2 2 320.330 1.259 20 30 DDEDLL N#Cc1ccc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)cc1O ZINC000615427450 362284545 /nfs/dbraw/zinc/28/45/45/362284545.db2.gz UDFYLWZASMXIKO-CQSZACIVSA-N -2 2 320.312 1.296 20 30 DDEDLL N#Cc1ccc(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)cc1O ZINC000615427445 362283850 /nfs/dbraw/zinc/28/38/50/362283850.db2.gz UDFYLWZASMXIKO-AWEZNQCLSA-N -2 2 320.312 1.296 20 30 DDEDLL CCOC(=O)c1nc(NS(=O)(=O)c2ccc(C#N)cc2)c[nH]1 ZINC000618906679 363792216 /nfs/dbraw/zinc/79/22/16/363792216.db2.gz TZOJTXCLSZCTNI-UHFFFAOYSA-N -2 2 320.330 1.259 20 30 DDEDLL Cc1ccc(-c2cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)n[nH]2)o1 ZINC000174947194 408013418 /nfs/dbraw/zinc/01/34/18/408013418.db2.gz SZLGALNMQLVDKP-UHFFFAOYSA-N -2 2 307.273 1.697 20 30 DDEDLL