smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc(NN=Cc3cccnc3)n(C[C@H](O)CO)c2c(=O)[nH]c1=O ZINC000005358190 263340426 /nfs/dbraw/zinc/34/04/26/263340426.db2.gz JDTSMEJDNBYFLX-MJRCGYGRSA-N 0 1 359.346 -1.383 50 30 FAEAMN Cn1c2nc(NN=Cc3cccnc3)n(C[C@@H](O)CO)c2c(=O)[nH]c1=O ZINC000005358196 263340259 /nfs/dbraw/zinc/34/02/59/263340259.db2.gz JDTSMEJDNBYFLX-OMEHRSSBSA-N 0 1 359.346 -1.383 50 30 FAEAMN Cn1c2nc(NN=Cc3ccncc3)n(C[C@H](O)CO)c2c(=O)[nH]c1=O ZINC000005358201 263340079 /nfs/dbraw/zinc/34/00/79/263340079.db2.gz WVJMKVOFGULOIV-MJRCGYGRSA-N 0 1 359.346 -1.383 50 30 FAEAMN Cn1c2nc(NN=Cc3ccncc3)n(C[C@@H](O)CO)c2c(=O)[nH]c1=O ZINC000005358204 263340512 /nfs/dbraw/zinc/34/05/12/263340512.db2.gz WVJMKVOFGULOIV-OMEHRSSBSA-N 0 1 359.346 -1.383 50 30 FAEAMN Cn1c2nc(NN=Cc3ccncc3)n(C[C@H](O)CO)c2c(=O)[nH]c1=O ZINC000033772458 527121917 /nfs/dbraw/zinc/12/19/17/527121917.db2.gz WVJMKVOFGULOIV-CIPOKBDDSA-N 0 1 359.346 -1.383 50 30 FAEAMN Cn1c2nc(NN=Cc3ccncc3)n(C[C@@H](O)CO)c2c(=O)[nH]c1=O ZINC000033772459 527121223 /nfs/dbraw/zinc/12/12/23/527121223.db2.gz WVJMKVOFGULOIV-MGQRRDKCSA-N 0 1 359.346 -1.383 50 30 FAEAMN Cc1[nH]c(=O)c(C#N)cc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NS(C)(=O)=O ZINC000218039708 206366726 /nfs/dbraw/zinc/36/67/26/206366726.db2.gz VMMRRHCIXDDLGU-GWNIPJSYSA-N 0 1 366.399 -1.010 50 30 FAEAMN