smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C=C2N=C(NN=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)NC2=O)cc1 ZINC000008665853 570537120 /nfs/dbraw/zinc/53/71/20/570537120.db2.gz SOIJVVDWZTZYGW-DAGUUKAYSA-N 0 1 394.384 -2.467 40 30 GAEBMN COc1ccc(C=C2N=C(NN=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)NC2=O)cc1 ZINC000008665854 570536804 /nfs/dbraw/zinc/53/68/04/570536804.db2.gz SOIJVVDWZTZYGW-KJVNUQCZSA-N 0 1 394.384 -2.467 40 30 GAEBMN COc1ccc(C=C2N=C(NN=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)NC2=O)cc1 ZINC000008665855 570537083 /nfs/dbraw/zinc/53/70/83/570537083.db2.gz SOIJVVDWZTZYGW-OLOCOIOWSA-N 0 1 394.384 -2.467 40 30 GAEBMN Nc1ncnc2c1nc(N=NCc1ccncc1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000008740483 230867644 /nfs/dbraw/zinc/86/76/44/230867644.db2.gz BGGOEVFRBBEHQW-CYLRPVONSA-N 0 1 386.372 -1.139 40 30 GAEBMN Nc1ncnc2c1nc(N=NCc1ccncc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O ZINC000008740484 570456183 /nfs/dbraw/zinc/45/61/83/570456183.db2.gz BGGOEVFRBBEHQW-JJFUXDJFSA-N 0 1 386.372 -1.139 40 30 GAEBMN Nc1ncnc2c1nc(N=NCc1ccncc1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000008740485 570456060 /nfs/dbraw/zinc/45/60/60/570456060.db2.gz BGGOEVFRBBEHQW-PILNKDGWSA-N 0 1 386.372 -1.139 40 30 GAEBMN Nc1ncnc2c1nc(N=NCc1ccncc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O ZINC000008740486 570455995 /nfs/dbraw/zinc/45/59/95/570455995.db2.gz BGGOEVFRBBEHQW-GXZWPDTESA-N 0 1 386.372 -1.139 40 30 GAEBMN