smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000301470460 336308870 /nfs/dbraw/zinc/30/88/70/336308870.db2.gz IZTUIEJWHZCHCX-CQSZACIVSA-N 1 2 322.368 4.262 10 5 DIBELO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000127654712 524447056 /nfs/dbraw/zinc/44/70/56/524447056.db2.gz SYJDROMUVHJSRV-CQSZACIVSA-N 1 2 317.414 4.087 10 5 DIBELO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000127654712 524447066 /nfs/dbraw/zinc/44/70/66/524447066.db2.gz SYJDROMUVHJSRV-CQSZACIVSA-N 1 2 317.414 4.087 10 5 DIBELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000189785032 527051867 /nfs/dbraw/zinc/05/18/67/527051867.db2.gz FRXMKKCFZRNKDX-INIZCTEOSA-N 1 2 317.414 4.005 10 5 DIBELO Cc1nc([C@@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000189785032 527051875 /nfs/dbraw/zinc/05/18/75/527051875.db2.gz FRXMKKCFZRNKDX-INIZCTEOSA-N 1 2 317.414 4.005 10 5 DIBELO Cc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)o1 ZINC000182578291 525731459 /nfs/dbraw/zinc/73/14/59/525731459.db2.gz FVTCJFOJNYIQDK-CYBMUJFWSA-N 1 2 318.373 4.134 10 5 DIBELO Cc1ccc(N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000301470459 336308808 /nfs/dbraw/zinc/30/88/08/336308808.db2.gz IZTUIEJWHZCHCX-AWEZNQCLSA-N 1 2 322.368 4.262 10 5 DIBELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000189930106 527051838 /nfs/dbraw/zinc/05/18/38/527051838.db2.gz GXPRBDKHNWZWTJ-HNNXBMFYSA-N 1 2 317.414 4.005 10 5 DIBELO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000189930106 527051843 /nfs/dbraw/zinc/05/18/43/527051843.db2.gz GXPRBDKHNWZWTJ-HNNXBMFYSA-N 1 2 317.414 4.005 10 5 DIBELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000189918784 527052717 /nfs/dbraw/zinc/05/27/17/527052717.db2.gz ZTNTWALCAPAPCQ-INIZCTEOSA-N 1 2 317.414 4.005 10 5 DIBELO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000189918784 527052722 /nfs/dbraw/zinc/05/27/22/527052722.db2.gz ZTNTWALCAPAPCQ-INIZCTEOSA-N 1 2 317.414 4.005 10 5 DIBELO Cc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)o1 ZINC000182578308 525928848 /nfs/dbraw/zinc/92/88/48/525928848.db2.gz FVTCJFOJNYIQDK-ZDUSSCGKSA-N 1 2 318.373 4.134 10 5 DIBELO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000127654945 524447475 /nfs/dbraw/zinc/44/74/75/524447475.db2.gz SYJDROMUVHJSRV-AWEZNQCLSA-N 1 2 317.414 4.087 10 5 DIBELO Cc1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000127654945 524447483 /nfs/dbraw/zinc/44/74/83/524447483.db2.gz SYJDROMUVHJSRV-AWEZNQCLSA-N 1 2 317.414 4.087 10 5 DIBELO