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](NCc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000078970047 185137454 /nfs/dbraw/zinc/13/74/54/185137454.db2.gz VNDQYQZCTNGNQR-LLVKDONJSA-N 0 1 322.311 4.047 20 5 DIBDMN Cc1nc(C(C)C)ccc1CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000294581910 131846416 /nfs/dbraw/zinc/84/64/16/131846416.db2.gz MREJPUMADKEWLQ-AWEZNQCLSA-N 0 1 313.401 4.272 20 5 DIBDMN Cc1ccc([C@H](C)N[C@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000120786086 132151022 /nfs/dbraw/zinc/15/10/22/132151022.db2.gz YRTSIVFSZRFKJZ-WFASDCNBSA-N 0 1 300.358 4.224 20 5 DIBDMN C[C@H](N[C@H]1CCSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000172920229 332820198 /nfs/dbraw/zinc/82/01/98/332820198.db2.gz JMSDRYVWHJAVQE-LRDDRELGSA-N 0 1 314.410 4.483 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCc2sc(Cl)cc21 ZINC000128203651 332010613 /nfs/dbraw/zinc/01/06/13/332010613.db2.gz QLHGIPJIWZEYDA-GFCCVEGCSA-N 0 1 322.817 4.477 20 5 DIBDMN CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H](C)c1cccnc1 ZINC000518507861 332070492 /nfs/dbraw/zinc/07/04/92/332070492.db2.gz LTHVZCLPAPGBCJ-JOZWUWCOSA-N 0 1 311.385 4.086 20 5 DIBDMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000449460171 332221567 /nfs/dbraw/zinc/22/15/67/332221567.db2.gz MRANBMNFDAVJGV-WCQYABFASA-N 0 1 316.323 4.066 20 5 DIBDMN COc1cccc([C@@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000317079768 332688572 /nfs/dbraw/zinc/68/85/72/332688572.db2.gz COLQXHWUQAAAFC-LLVKDONJSA-N 0 1 320.776 4.108 20 5 DIBDMN C[C@H](NCc1ccccc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000378873048 333058165 /nfs/dbraw/zinc/05/81/65/333058165.db2.gz SPNZSJZBOMIXKX-NSHDSACASA-N 0 1 324.302 4.464 20 5 DIBDMN CC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000122042012 333390846 /nfs/dbraw/zinc/39/08/46/333390846.db2.gz FWCAEDUXYSEFJH-GUYCJALGSA-N 0 1 314.385 4.405 20 5 DIBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000319661410 333394121 /nfs/dbraw/zinc/39/41/21/333394121.db2.gz FSGQLCMUWHOHNH-AWEZNQCLSA-N 0 1 310.397 4.324 20 5 DIBDMN COc1ccc([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000414113932 333905699 /nfs/dbraw/zinc/90/56/99/333905699.db2.gz ZCWOEOBSUKQNHT-UONOGXRCSA-N 0 1 314.385 4.324 20 5 DIBDMN C[C@H](NCc1cnccc1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000414235689 333917400 /nfs/dbraw/zinc/91/74/00/333917400.db2.gz UNOCELULIWVWTG-ZDUSSCGKSA-N 0 1 313.401 4.138 20 5 DIBDMN C[C@@H](NCc1cnccc1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000414223951 333924604 /nfs/dbraw/zinc/92/46/04/333924604.db2.gz GYTDQUXDIJAQCR-CYBMUJFWSA-N 0 1 313.401 4.138 20 5 DIBDMN Cc1c([C@H](C)NCc2ccc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000531949065 334303365 /nfs/dbraw/zinc/30/33/65/334303365.db2.gz ADNMRFYUTZGTCB-AWEZNQCLSA-N 0 1 321.380 4.302 20 5 DIBDMN Cc1c(CN[C@H](C)c2ccc(Cl)s2)cccc1[N+](=O)[O-] ZINC000049129256 334315050 /nfs/dbraw/zinc/31/50/50/334315050.db2.gz PZQLHKNHGBFFAR-SNVBAGLBSA-N 0 1 310.806 4.469 20 5 DIBDMN Cc1ccccc1[C@@H](C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443806 334713256 /nfs/dbraw/zinc/71/32/56/334713256.db2.gz HELWVLPHRKXPGW-GFCCVEGCSA-N 0 1 304.777 4.407 20 5 DIBDMN CCC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000356840901 336562785 /nfs/dbraw/zinc/56/27/85/336562785.db2.gz GKOZTIVJGPDAKF-HNNXBMFYSA-N 0 1 324.384 4.102 20 5 DIBDMN CC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1c(C)noc1C ZINC000181770946 337184541 /nfs/dbraw/zinc/18/45/41/337184541.db2.gz RIAMCWROVMHDIN-MEDUHNTESA-N 0 1 317.389 4.310 20 5 DIBDMN O=[N+]([O-])c1cccc([C@H](NC2CC(F)(F)C2)c2ccccc2)c1 ZINC000429464108 338081911 /nfs/dbraw/zinc/08/19/11/338081911.db2.gz BKIRGSGPDLLJEM-MRXNPFEDSA-N 0 1 318.323 4.072 20 5 DIBDMN O=[N+]([O-])c1cccc([C@@H](NC2CC(F)(F)C2)c2ccccc2)c1 ZINC000429464107 338081990 /nfs/dbraw/zinc/08/19/90/338081990.db2.gz BKIRGSGPDLLJEM-INIZCTEOSA-N 0 1 318.323 4.072 20 5 DIBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)c1ccc(C)cc1 ZINC000430195262 338100761 /nfs/dbraw/zinc/10/07/61/338100761.db2.gz OASALZSYRXMUDL-QGZVFWFLSA-N 0 1 314.385 4.153 20 5 DIBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1c1cccs1 ZINC000430230778 338102283 /nfs/dbraw/zinc/10/22/83/338102283.db2.gz ZEUOSSVYANXDCF-AWEZNQCLSA-N 0 1 318.398 4.002 20 5 DIBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1c1cccs1 ZINC000430230781 338102359 /nfs/dbraw/zinc/10/23/59/338102359.db2.gz ZEUOSSVYANXDCF-CQSZACIVSA-N 0 1 318.398 4.002 20 5 DIBDMN O=[N+]([O-])c1ccc(/C=C\c2cc(Cl)c(O)cc2Cl)nc1 ZINC000436772362 338286843 /nfs/dbraw/zinc/28/68/43/338286843.db2.gz LBEOCDGXAUHAOM-UPHRSURJSA-N 0 1 311.124 4.173 20 5 DIBDMN C[C@H]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])c2sccc21 ZINC000453154249 338800489 /nfs/dbraw/zinc/80/04/89/338800489.db2.gz ROYMNERTOXECNV-SMDDNHRTSA-N 0 1 302.399 4.385 20 5 DIBDMN COc1cc(CN[C@H](C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000459787848 339048663 /nfs/dbraw/zinc/04/86/63/339048663.db2.gz PCWKMPXQNVFTAN-LLVKDONJSA-N 0 1 320.776 4.108 20 5 DIBDMN C[C@H]1C[C@H](c2ccccc2F)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000464725334 339150062 /nfs/dbraw/zinc/15/00/62/339150062.db2.gz NGLKWUSKYBVLSH-SCLBCKFNSA-N 0 1 314.360 4.317 20 5 DIBDMN Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cccc([N+](=O)[O-])c2)o1 ZINC000464831850 339155883 /nfs/dbraw/zinc/15/58/83/339155883.db2.gz KTOXWDJOLJLXIG-SUMWQHHRSA-N 0 1 314.385 4.469 20 5 DIBDMN Cc1ccc(C)c(CNCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466445097 339205343 /nfs/dbraw/zinc/20/53/43/339205343.db2.gz DDMPULPXZMZXHZ-UHFFFAOYSA-N 0 1 304.777 4.155 20 5 DIBDMN Cc1cc(C)cc(CNCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466456383 339205788 /nfs/dbraw/zinc/20/57/88/339205788.db2.gz OJPSDXCGONRLBY-UHFFFAOYSA-N 0 1 304.777 4.155 20 5 DIBDMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)C2(C)C)cc1[N+](=O)[O-] ZINC000470154899 339311840 /nfs/dbraw/zinc/31/18/40/339311840.db2.gz NYENJLRKVJDBRI-CYBMUJFWSA-N 0 1 316.323 4.066 20 5 DIBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCc2ccsc2C1 ZINC000470178589 339313028 /nfs/dbraw/zinc/31/30/28/339313028.db2.gz LFTUCZNYFKKKGJ-LCYFTJDESA-N 0 1 314.410 4.118 20 5 DIBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000474014838 339397101 /nfs/dbraw/zinc/39/71/01/339397101.db2.gz KLLRBKAVIBWJKY-LLVKDONJSA-N 0 1 314.316 4.331 20 5 DIBDMN C[C@@H](N[C@H]1CSc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000483149722 339654206 /nfs/dbraw/zinc/65/42/06/339654206.db2.gz BBVLNOJYJVZNMO-ABAIWWIYSA-N 0 1 300.383 4.092 20 5 DIBDMN Cc1ccc([C@@H](C)NCc2scnc2C2CC2)cc1[N+](=O)[O-] ZINC000487265950 339747948 /nfs/dbraw/zinc/74/79/48/339747948.db2.gz CBCRXIUXTXWTLC-LLVKDONJSA-N 0 1 317.414 4.088 20 5 DIBDMN C[C@H](NCc1ccc2c(c1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000491211741 339853637 /nfs/dbraw/zinc/85/36/37/339853637.db2.gz FLZQKGXIRAULOG-AWEZNQCLSA-N 0 1 310.397 4.324 20 5 DIBDMN CC(C)(NCc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000492051417 339890111 /nfs/dbraw/zinc/89/01/11/339890111.db2.gz WBXHNJVBMKBJPJ-UHFFFAOYSA-N 0 1 304.777 4.273 20 5 DIBDMN O=[N+]([O-])c1cc(CNCc2ccc(C3CCC3)cc2)cs1 ZINC000494841655 339962047 /nfs/dbraw/zinc/96/20/47/339962047.db2.gz FMBJODGHXBYOIF-UHFFFAOYSA-N 0 1 302.399 4.214 20 5 DIBDMN Cc1ccccc1[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505868505 340180208 /nfs/dbraw/zinc/18/02/08/340180208.db2.gz OCVLHBBFXMZJCS-KRWDZBQOSA-N 0 1 314.360 4.379 20 5 DIBDMN CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000506098661 340185641 /nfs/dbraw/zinc/18/56/41/340185641.db2.gz GBKHLBUQVUXFHN-GQCTYLIASA-N 0 1 322.817 4.455 20 5 DIBDMN Cc1ccc(CN(Cc2cccs2)C2CC2)cc1[N+](=O)[O-] ZINC000506618096 340197508 /nfs/dbraw/zinc/19/75/08/340197508.db2.gz QXLIUYFUTSBWSG-UHFFFAOYSA-N 0 1 302.399 4.129 20 5 DIBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC2(CCCCC2)CC1 ZINC000508002086 340237091 /nfs/dbraw/zinc/23/70/91/340237091.db2.gz XVVVNOYEWVQVEG-UHFFFAOYSA-N 0 1 306.381 4.280 20 5 DIBDMN CC[C@H](C)CN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000509376124 340267906 /nfs/dbraw/zinc/26/79/06/340267906.db2.gz ZBBASPXXICRIBX-LBPRGKRZSA-N 0 1 319.430 4.196 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1(c2ccc(F)cc2)CC1 ZINC000539653314 340894527 /nfs/dbraw/zinc/89/45/27/340894527.db2.gz AWANOKDOSMTZRU-CYBMUJFWSA-N 0 1 314.360 4.382 20 5 DIBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1cc2ccccc2o1 ZINC000542703736 341018225 /nfs/dbraw/zinc/01/82/25/341018225.db2.gz UOFWSWLDNCNLEY-UHFFFAOYSA-N 0 1 310.353 4.281 20 5 DIBDMN Cc1cc([N+](=O)[O-])ccc1CN([C@@H](C)c1ccco1)C1CC1 ZINC000543632892 341052281 /nfs/dbraw/zinc/05/22/81/341052281.db2.gz ZHHQIOBMAMOCDR-ZDUSSCGKSA-N 0 1 300.358 4.222 20 5 DIBDMN CCc1ccc([C@@H](NC2CC(C)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544379642 341079146 /nfs/dbraw/zinc/07/91/46/341079146.db2.gz IYGMRAPBTSFAES-WFZFXDGQSA-N 0 1 314.385 4.228 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000072727223 341101753 /nfs/dbraw/zinc/10/17/53/341101753.db2.gz BZTOXYIBWCLPOD-KRWDZBQOSA-N 0 1 316.788 4.489 20 5 DIBDMN CCOc1ccccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000132218439 341118545 /nfs/dbraw/zinc/11/85/45/341118545.db2.gz MBNBTQFTKMURQB-AWEZNQCLSA-N 0 1 314.385 4.153 20 5 DIBDMN O=[N+]([O-])c1cc(CNC2(c3ccc(F)cc3)CCCC2)cs1 ZINC000237745619 341219524 /nfs/dbraw/zinc/21/95/24/341219524.db2.gz YJZPMTGHVHIGKV-UHFFFAOYSA-N 0 1 320.389 4.355 20 5 DIBDMN O=[N+]([O-])c1ccccc1/C=C/CNC1(c2ccccc2F)CC1 ZINC000237809361 341221229 /nfs/dbraw/zinc/22/12/29/341221229.db2.gz AZBJLYUWCHWNHE-FNORWQNLSA-N 0 1 312.344 4.026 20 5 DIBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000079721083 341264497 /nfs/dbraw/zinc/26/44/97/341264497.db2.gz ODRWDYVMPCJPPB-OLZOCXBDSA-N 0 1 302.349 4.454 20 5 DIBDMN COc1ccccc1[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267425462 341591254 /nfs/dbraw/zinc/59/12/54/341591254.db2.gz LGZIGFUFEATQCI-STQMWFEESA-N 0 1 300.358 4.015 20 5 DIBDMN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1F ZINC000574771241 341768522 /nfs/dbraw/zinc/76/85/22/341768522.db2.gz QLRPFSCRVLOJJZ-QLJPJBMISA-N 0 1 318.323 4.211 20 5 DIBDMN CC(C)(NCc1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1 ZINC000175985182 341855010 /nfs/dbraw/zinc/85/50/10/341855010.db2.gz GQTXPGNRWWIJNF-UHFFFAOYSA-N 0 1 310.806 4.335 20 5 DIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccs1 ZINC000182551803 519782030 /nfs/dbraw/zinc/78/20/30/519782030.db2.gz CQKYEHQFVVFNGJ-LBPRGKRZSA-N 0 1 320.414 4.294 20 5 DIBDMN C[C@@H](N[C@@H](C)c1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC000181392381 525607757 /nfs/dbraw/zinc/60/77/57/525607757.db2.gz ZQIBHAHXFQTKNS-MNOVXSKESA-N 0 1 305.765 4.055 20 5 DIBDMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000181235894 525747030 /nfs/dbraw/zinc/74/70/30/525747030.db2.gz DVJNJIKITKVGIS-VXGBXAGGSA-N 0 1 319.792 4.363 20 5 DIBDMN C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000610216124 1035751630 /nfs/dbraw/zinc/75/16/30/1035751630.db2.gz NQTSPDVPXAFRER-BBRMVZONSA-N 0 1 316.426 4.282 20 5 DIBDMN Cc1cccnc1[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000118840357 1036554710 /nfs/dbraw/zinc/55/47/10/1036554710.db2.gz SJVLPDCUYKJJTK-PBHICJAKSA-N 0 1 313.401 4.346 20 5 DIBDMN O=[N+]([O-])c1cc(Nc2cccc(F)c2C(F)(F)F)ccc1O ZINC001210397721 1036681024 /nfs/dbraw/zinc/68/10/24/1036681024.db2.gz FRPNOHAZTXVAJC-UHFFFAOYSA-N 0 1 316.210 4.202 20 5 DIBDMN Cc1c([C@H](C)NCc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000177719819 1036961138 /nfs/dbraw/zinc/96/11/38/1036961138.db2.gz INHUTSBGJMOALB-NSHDSACASA-N 0 1 306.312 4.032 20 5 DIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(C(C)C)CC1 ZINC001167401964 1037136389 /nfs/dbraw/zinc/13/63/89/1037136389.db2.gz HJZRNEUQGNVOES-UHFFFAOYSA-N 0 1 320.433 4.250 20 5 DIBDMN Cc1c(CN([C@@H](C)c2ccco2)C2CC2)cccc1[N+](=O)[O-] ZINC000119264791 1037244779 /nfs/dbraw/zinc/24/47/79/1037244779.db2.gz SVVPIMJSCRZXPN-ZDUSSCGKSA-N 0 1 300.358 4.222 20 5 DIBDMN Cc1ccc(C[C@H](C)N(C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000537634294 1037273428 /nfs/dbraw/zinc/27/34/28/1037273428.db2.gz HDCVWJKOCZIWDY-ZDUSSCGKSA-N 0 1 304.415 4.028 20 5 DIBDMN Cc1cccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000157187984 1037725315 /nfs/dbraw/zinc/72/53/15/1037725315.db2.gz HGZRHCPFBDYDFV-GFCCVEGCSA-N 0 1 304.777 4.407 20 5 DIBDMN Cc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000610518238 1037806753 /nfs/dbraw/zinc/80/67/53/1037806753.db2.gz YYFHTJVNRMBAGR-ZDUSSCGKSA-N 0 1 302.349 4.202 20 5 DIBDMN CCC[C@@H](NCc1ccc(Cl)nc1)c1cccc([N+](=O)[O-])c1 ZINC000178248073 1038124113 /nfs/dbraw/zinc/12/41/13/1038124113.db2.gz VQSGKPQPALITTM-OAHLLOKOSA-N 0 1 319.792 4.274 20 5 DIBDMN O=[N+]([O-])c1ccc(F)cc1CN[C@H](c1ccccc1)C1CCC1 ZINC000170919486 1038262834 /nfs/dbraw/zinc/26/28/34/1038262834.db2.gz ZKXJUMQQAQFBJZ-GOSISDBHSA-N 0 1 314.360 4.365 20 5 DIBDMN CC(C)C[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610710615 1038267549 /nfs/dbraw/zinc/26/75/49/1038267549.db2.gz ANGVVCLQEPHDBE-CYBMUJFWSA-N 0 1 317.389 4.137 20 5 DIBDMN Cc1c(CN(C)[C@@H](C)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000603841214 1038294212 /nfs/dbraw/zinc/29/42/12/1038294212.db2.gz RXZAEEQLHDYCDI-LBPRGKRZSA-N 0 1 320.339 4.374 20 5 DIBDMN Cc1c(CN2CCC[C@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000603867937 1038308434 /nfs/dbraw/zinc/30/84/34/1038308434.db2.gz DLHJYXIKLKZBEN-SFHVURJKSA-N 0 1 314.360 4.379 20 5 DIBDMN CCC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccn1 ZINC000610810453 1038353205 /nfs/dbraw/zinc/35/32/05/1038353205.db2.gz LJBTYUPVSOROCS-WMLDXEAASA-N 0 1 313.401 4.490 20 5 DIBDMN CCC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccn1 ZINC000610810452 1038353511 /nfs/dbraw/zinc/35/35/11/1038353511.db2.gz LJBTYUPVSOROCS-RHSMWYFYSA-N 0 1 313.401 4.490 20 5 DIBDMN C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccnc1 ZINC000342072204 1038388627 /nfs/dbraw/zinc/38/86/27/1038388627.db2.gz CCXNXRMHCWOJQV-CYBMUJFWSA-N 0 1 323.352 4.101 20 5 DIBDMN C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccnc1 ZINC000342108727 1038434360 /nfs/dbraw/zinc/43/43/60/1038434360.db2.gz SMRUQFDMAVMDLY-ZDUSSCGKSA-N 0 1 323.352 4.101 20 5 DIBDMN Cc1cc([C@@H](NCc2ccccc2[N+](=O)[O-])C2CC2)ccc1F ZINC000539218678 1038539445 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CC[C@@H](N[C@@H](C)c1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000925227614 1045237488 /nfs/dbraw/zinc/23/74/88/1045237488.db2.gz ACOIANQPDWZIFZ-APPDUMDISA-N 0 1 318.348 4.241 20 5 DIBDMN O=[N+]([O-])c1cccc(CN[C@H]2CCCc3c(F)cc(F)cc32)c1 ZINC000449350749 1045379732 /nfs/dbraw/zinc/37/97/32/1045379732.db2.gz NCCKNHPDEGEDPM-KRWDZBQOSA-N 0 1 318.323 4.040 20 5 DIBDMN Cc1cccc(Cl)c1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000450680150 1045544921 /nfs/dbraw/zinc/54/49/21/1045544921.db2.gz YCFLXKIJJXCUQJ-LBPRGKRZSA-N 0 1 304.777 4.407 20 5 DIBDMN CSc1ccccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451105193 1045629433 /nfs/dbraw/zinc/62/94/33/1045629433.db2.gz SHHAJVASRJEFJU-LBPRGKRZSA-N 0 1 302.399 4.168 20 5 DIBDMN COc1cc(C)c([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1C ZINC000753680411 1045789408 /nfs/dbraw/zinc/78/94/08/1045789408.db2.gz VNFBFGWHAVZMGO-AWEZNQCLSA-N 0 1 314.385 4.071 20 5 DIBDMN CC(F)(F)CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000453214261 1045985739 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C[C@@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000903287514 1046223367 /nfs/dbraw/zinc/22/33/67/1046223367.db2.gz PPGZZODMFPMSGF-KZULUSFZSA-N 0 1 312.369 4.029 20 5 DIBDMN CCc1nc(C)c([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000903286578 1046224564 /nfs/dbraw/zinc/22/45/64/1046224564.db2.gz BKNIHLBVTDCHAD-GHMZBOCLSA-N 0 1 319.430 4.334 20 5 DIBDMN C[C@@H](N[C@@H](C)c1ccccc1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000903287879 1046224768 /nfs/dbraw/zinc/22/47/68/1046224768.db2.gz SDQWRHDFLSNGLV-KGLIPLIRSA-N 0 1 313.401 4.073 20 5 DIBDMN C[C@@H](N[C@H](C)c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903288793 1046225182 /nfs/dbraw/zinc/22/51/82/1046225182.db2.gz OYRBXRZKEQVOEW-NXEZZACHSA-N 0 1 324.302 4.424 20 5 DIBDMN CC[C@H](N[C@H](c1ccccn1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903338769 1046251669 /nfs/dbraw/zinc/25/16/69/1046251669.db2.gz JDIHARPYOGNLTI-WMZOPIPTSA-N 0 1 311.385 4.182 20 5 DIBDMN Cc1c([C@H](C)N[C@H](c2ccccn2)C2CC2)cccc1[N+](=O)[O-] ZINC000903341256 1046253717 /nfs/dbraw/zinc/25/37/17/1046253717.db2.gz WWMLBACWJTVONL-UGSOOPFHSA-N 0 1 311.385 4.100 20 5 DIBDMN CCC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccn1 ZINC000610810432 1046373908 /nfs/dbraw/zinc/37/39/08/1046373908.db2.gz IQPQGURTCHIFFO-KSSFIOAISA-N 0 1 313.401 4.490 20 5 DIBDMN Cc1ccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000122021782 1047257717 /nfs/dbraw/zinc/25/77/17/1047257717.db2.gz SXSHSVALNZPYQP-CHWSQXEVSA-N 0 1 302.349 4.454 20 5 DIBDMN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000089512032 1047389689 /nfs/dbraw/zinc/38/96/89/1047389689.db2.gz PZLLSHHWUOJPME-KZULUSFZSA-N 0 1 314.360 4.147 20 5 DIBDMN Cc1ccccc1C1(NCc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000843418289 1047548278 /nfs/dbraw/zinc/54/82/78/1047548278.db2.gz ANFCVZBZEPPJKK-UHFFFAOYSA-N 0 1 316.788 4.336 20 5 DIBDMN CC[C@H](N[C@H]1COc2ccc(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000537958045 1047646863 /nfs/dbraw/zinc/64/68/63/1047646863.db2.gz DWMGBRGBLFJFGB-IRXDYDNUSA-N 0 1 312.369 4.078 20 5 DIBDMN COc1ccc(F)cc1[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000192808048 1047740047 /nfs/dbraw/zinc/74/00/47/1047740047.db2.gz XHAICKCHZRQZBU-NEPJUHHUSA-N 0 1 318.348 4.154 20 5 DIBDMN Cc1c(CN[C@H](C)c2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000553294819 1047835537 /nfs/dbraw/zinc/83/55/37/1047835537.db2.gz PSFNIHWBORMPJG-SNVBAGLBSA-N 0 1 324.302 4.171 20 5 DIBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H](c1ccccc1)C1CC1 ZINC000776017105 1048091944 /nfs/dbraw/zinc/09/19/44/1048091944.db2.gz RYBIYEOASYWYLY-KRWDZBQOSA-N 0 1 316.788 4.489 20 5 DIBDMN CCC[C@H](NCc1c(C)noc1CC)c1cccc([N+](=O)[O-])c1 ZINC000927139097 1048098429 /nfs/dbraw/zinc/09/84/29/1048098429.db2.gz GBAWXIARZOAXRK-INIZCTEOSA-N 0 1 317.389 4.085 20 5 DIBDMN O=[N+]([O-])c1ccc(CNCc2ccc(C3CC3)cc2)c(Cl)c1 ZINC000480452642 1048144780 /nfs/dbraw/zinc/14/47/80/1048144780.db2.gz IIAKOLJQVOUPCZ-UHFFFAOYSA-N 0 1 316.788 4.415 20 5 DIBDMN Cc1c(CN2CCC[C@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000481718818 1048464635 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CC[C@@H](C)C[N@@H+](CC)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001179980509 1049242765 /nfs/dbraw/zinc/24/27/65/1049242765.db2.gz QXYDNLCRLQENKM-LLVKDONJSA-N 0 1 318.339 4.482 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)Cc1ccc(F)c(F)c1 ZINC000485708827 1049318264 /nfs/dbraw/zinc/31/82/64/1049318264.db2.gz NCCYXQNHKFREMB-LBPRGKRZSA-N 0 1 320.339 4.374 20 5 DIBDMN C[C@H](c1ccccc1)[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000339028534 1049451648 /nfs/dbraw/zinc/45/16/48/1049451648.db2.gz LAXPWIBCZXIBGX-CYBMUJFWSA-N 0 1 312.369 4.026 20 5 DIBDMN C[C@H](c1ccccc1)[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000339028534 1049451656 /nfs/dbraw/zinc/45/16/56/1049451656.db2.gz LAXPWIBCZXIBGX-CYBMUJFWSA-N 0 1 312.369 4.026 20 5 DIBDMN COc1cc(CN2CC[C@@H](CC(C)(C)C)C2)c([N+](=O)[O-])cc1F ZINC001195213889 1049498264 /nfs/dbraw/zinc/49/82/64/1049498264.db2.gz LNSXFHACOCORAI-LBPRGKRZSA-N 0 1 324.396 4.001 20 5 DIBDMN Cc1cc([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)ccc1F ZINC000282653409 1050174628 /nfs/dbraw/zinc/17/46/28/1050174628.db2.gz CMHUJAWIFJKQPK-LLVKDONJSA-N 0 1 306.312 4.032 20 5 DIBDMN Cc1c(Nc2ccc(O)c([N+](=O)[O-])c2)cccc1C(F)(F)F ZINC001210395452 1050230161 /nfs/dbraw/zinc/23/01/61/1050230161.db2.gz WUGLFRLPICQGOZ-UHFFFAOYSA-N 0 1 312.247 4.371 20 5 DIBDMN CCOc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC001210399143 1050233082 /nfs/dbraw/zinc/23/30/82/1050233082.db2.gz RSTHFGSTSQTCKF-UHFFFAOYSA-N 0 1 308.721 4.096 20 5 DIBDMN O=[N+]([O-])c1cc(Nc2ccc(N3CCCCC3)cc2)ccc1O ZINC001210400118 1050233687 /nfs/dbraw/zinc/23/36/87/1050233687.db2.gz BDAFURGDKQOOCB-UHFFFAOYSA-N 0 1 313.357 4.034 20 5 DIBDMN COc1cccc2c(Nc3ccc(O)c([N+](=O)[O-])c3)cccc12 ZINC001210399896 1050234913 /nfs/dbraw/zinc/23/49/13/1050234913.db2.gz YURXYJMVXYCOKQ-UHFFFAOYSA-N 0 1 310.309 4.206 20 5 DIBDMN CN(CCC(C)(C)C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592144789 1050278221 /nfs/dbraw/zinc/27/82/21/1050278221.db2.gz IUTPZWPTSHJQIZ-UHFFFAOYSA-N 0 1 317.389 4.118 20 5 DIBDMN CC(C)(NCc1cc([N+](=O)[O-])ccc1Cl)c1cccs1 ZINC000735085466 1050343959 /nfs/dbraw/zinc/34/39/59/1050343959.db2.gz BLYOEPUALQQLAE-UHFFFAOYSA-N 0 1 310.806 4.335 20 5 DIBDMN C[C@@H](NC1(c2ccccc2F)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000592397099 1050383083 /nfs/dbraw/zinc/38/30/83/1050383083.db2.gz RKHBLDGBBAUBQW-CYBMUJFWSA-N 0 1 314.360 4.464 20 5 DIBDMN CCC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000594496091 1050518990 /nfs/dbraw/zinc/51/89/90/1050518990.db2.gz ZZWJEFBFCAQZFE-RDJZCZTQSA-N 0 1 311.385 4.108 20 5 DIBDMN O=[N+]([O-])c1cccc(CN(Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000059388075 1050579078 /nfs/dbraw/zinc/57/90/78/1050579078.db2.gz QDZFJOFHSYEWJD-UHFFFAOYSA-N 0 1 316.788 4.413 20 5 DIBDMN Cc1ccc2c(c1)[C@@H](NCc1ccc([N+](=O)[O-])cc1F)[C@H](C)C2 ZINC000594983082 1050587342 /nfs/dbraw/zinc/58/73/42/1050587342.db2.gz JVZVKPWGUHCQQY-XIKOKIGWSA-N 0 1 314.360 4.065 20 5 DIBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C(F)F)nc1 ZINC000595007099 1050592975 /nfs/dbraw/zinc/59/29/75/1050592975.db2.gz JKGQJZUVXNKZNJ-QWRGUYRKSA-N 0 1 321.327 4.339 20 5 DIBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)c1ccsc1 ZINC000595038584 1050600496 /nfs/dbraw/zinc/60/04/96/1050600496.db2.gz LPXKAGPTVPHPSW-WDEREUQCSA-N 0 1 306.387 4.077 20 5 DIBDMN Cc1c(CN[C@H](C)c2ccc(C(F)F)nc2)cccc1[N+](=O)[O-] ZINC000595043421 1050600658 /nfs/dbraw/zinc/60/06/58/1050600658.db2.gz XZQKGNNIRKHVST-LLVKDONJSA-N 0 1 321.327 4.087 20 5 DIBDMN Cc1cccc([C@@H](C)NCc2ccc(F)cc2[N+](=O)[O-])c1C ZINC000595419458 1050633155 /nfs/dbraw/zinc/63/31/55/1050633155.db2.gz YBXQEPHWXVJJQJ-CYBMUJFWSA-N 0 1 302.349 4.202 20 5 DIBDMN Cc1cc([C@@H](C)NCc2ccc(F)cc2[N+](=O)[O-])ccc1F ZINC000595419298 1050633269 /nfs/dbraw/zinc/63/32/69/1050633269.db2.gz KEUAHAVGJVCDCU-LLVKDONJSA-N 0 1 306.312 4.032 20 5 DIBDMN Cc1ccc2c(c1)[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000846055546 1050660539 /nfs/dbraw/zinc/66/05/39/1050660539.db2.gz NDYKJVYGBFNAKM-INIZCTEOSA-N 0 1 316.788 4.334 20 5 DIBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2ccccc2)cc1F ZINC000788472186 1050685189 /nfs/dbraw/zinc/68/51/89/1050685189.db2.gz ZSWWCHFUAOUOEQ-INIZCTEOSA-N 0 1 300.333 4.071 20 5 DIBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2ccccc2)cc1F ZINC000788472188 1050685320 /nfs/dbraw/zinc/68/53/20/1050685320.db2.gz ZSWWCHFUAOUOEQ-MRXNPFEDSA-N 0 1 300.333 4.071 20 5 DIBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1F ZINC000847020754 1050798541 /nfs/dbraw/zinc/79/85/41/1050798541.db2.gz NLVKIVADLMGCNY-OAHLLOKOSA-N 0 1 306.312 4.114 20 5 DIBDMN Cc1cccc(F)c1CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000742381567 1050824885 /nfs/dbraw/zinc/82/48/85/1050824885.db2.gz XBRWUKMBXUFJTM-UHFFFAOYSA-N 0 1 316.376 4.456 20 5 DIBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N[C@@H]1CCCCC1(F)F)CC2 ZINC001172913633 1051569201 /nfs/dbraw/zinc/56/92/01/1051569201.db2.gz YBODSXXGMJEAOZ-GDBMZVCRSA-N 0 1 324.371 4.010 20 5 DIBDMN CCC[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccn1 ZINC000761520190 1051587642 /nfs/dbraw/zinc/58/76/42/1051587642.db2.gz MMWAUBPZMWDBLX-AWEZNQCLSA-N 0 1 319.792 4.274 20 5 DIBDMN CC(C)C[C@@]1(C)CCCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001170479337 1051634009 /nfs/dbraw/zinc/63/40/09/1051634009.db2.gz IMNSEJXCOMKBCA-MRXNPFEDSA-N 0 1 312.360 4.274 20 5 DIBDMN CCCC[C@@H](C)[N@@H+](CCCC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001170518266 1051877541 /nfs/dbraw/zinc/87/75/41/1051877541.db2.gz FPIJVHRLGYVMDG-CQSZACIVSA-N 0 1 308.422 4.481 20 5 DIBDMN Cc1ccc(Nc2ccc3cc4ccc(N)cc4nc3c2)cn1 ZINC001174282587 1052069043 /nfs/dbraw/zinc/06/90/43/1052069043.db2.gz HEZQPZLYVYYCLQ-UHFFFAOYSA-N 0 1 300.365 4.417 20 5 DIBDMN CCN(Cc1csc([N+](=O)[O-])c1)[C@@H](C)Cc1ccsc1 ZINC000495251417 1052271589 /nfs/dbraw/zinc/27/15/89/1052271589.db2.gz KKQBPGBVRLYXNR-NSHDSACASA-N 0 1 310.444 4.171 20 5 DIBDMN Cc1cc(F)ccc1CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000487951882 1052396778 /nfs/dbraw/zinc/39/67/78/1052396778.db2.gz CDULKDJNDDCLJA-ZDUSSCGKSA-N 0 1 302.349 4.235 20 5 DIBDMN Cc1nc(C)c([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000194384366 1052538701 /nfs/dbraw/zinc/53/87/01/1052538701.db2.gz NFZPKLVTDNRDQO-QWRGUYRKSA-N 0 1 319.430 4.388 20 5 DIBDMN O=[N+]([O-])c1cccc(CN[C@H]2CCc3ccc(Cl)cc32)c1 ZINC000763394867 1052624036 /nfs/dbraw/zinc/62/40/36/1052624036.db2.gz GDRCCIWSURMEBW-INIZCTEOSA-N 0 1 302.761 4.025 20 5 DIBDMN C[C@H](N[C@@H]1CCc2c1cc(F)cc2F)c1cccc([N+](=O)[O-])c1 ZINC000154610346 1052773894 /nfs/dbraw/zinc/77/38/94/1052773894.db2.gz BJBQJLXWFNLXLF-DYZYQPBXSA-N 0 1 318.323 4.211 20 5 DIBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000194760963 1052839403 /nfs/dbraw/zinc/83/94/03/1052839403.db2.gz NRLOYWMOQMZZJF-NSHDSACASA-N 0 1 324.302 4.464 20 5 DIBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCc2sccc2C1 ZINC000609322528 1052959637 /nfs/dbraw/zinc/95/96/37/1052959637.db2.gz AREZBRCYHRYEPU-GFCCVEGCSA-N 0 1 302.399 4.166 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN(Cc1ccc(F)cc1)CC1CC1 ZINC000609672996 1052987112 /nfs/dbraw/zinc/98/71/12/1052987112.db2.gz CDAQJLBHMBCGKT-UHFFFAOYSA-N 0 1 314.360 4.146 20 5 DIBDMN Cc1c(CNC2(c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-] ZINC000179674444 1053020695 /nfs/dbraw/zinc/02/06/95/1053020695.db2.gz GEELROMATUPMRD-UHFFFAOYSA-N 0 1 316.788 4.336 20 5 DIBDMN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1cc(F)ccc1F ZINC000179795347 1053028071 /nfs/dbraw/zinc/02/80/71/1053028071.db2.gz YLMWIVIDSYBISA-INIZCTEOSA-N 0 1 320.339 4.422 20 5 DIBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@H](c2ccccc2)C2CC2)c1 ZINC000237832541 1053031143 /nfs/dbraw/zinc/03/11/43/1053031143.db2.gz MDXRURFAHYXYKZ-QGZVFWFLSA-N 0 1 316.788 4.489 20 5 DIBDMN CCN(CCC(F)(F)F)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000615834446 1053033218 /nfs/dbraw/zinc/03/32/18/1053033218.db2.gz UZHANKKZXIGQRZ-XFXZXTDPSA-N 0 1 316.323 4.272 20 5 DIBDMN Cc1c(CNCc2ccc(C(F)F)c(F)c2)cccc1[N+](=O)[O-] ZINC001352021676 1053259757 /nfs/dbraw/zinc/25/97/57/1053259757.db2.gz GQKMGJBQYKZZFF-UHFFFAOYSA-N 0 1 324.302 4.270 20 5 DIBDMN Cc1ccc([C@@H](C)N[C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000619611339 1053519115 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/nfs/dbraw/zinc/86/46/87/1041864687.db2.gz UOUQWFOSWFFIPZ-UHFFFAOYSA-N 0 1 317.732 4.012 20 5 DIBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000217198347 1041870084 /nfs/dbraw/zinc/87/00/84/1041870084.db2.gz SMJHFCDGPWUCBE-QGZVFWFLSA-N 0 1 304.365 4.056 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CCc2cc(Cl)ccc21 ZINC000112017764 1041993414 /nfs/dbraw/zinc/99/34/14/1041993414.db2.gz KBDFFEVHYBFZQM-HNNXBMFYSA-N 0 1 302.761 4.025 20 5 DIBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCc3sc(Cl)cc32)cc1 ZINC000123368255 1042381215 /nfs/dbraw/zinc/38/12/15/1042381215.db2.gz DQYZGLXUQXSIIU-LBPRGKRZSA-N 0 1 308.790 4.087 20 5 DIBDMN CC(C)(NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000728928447 1042386409 /nfs/dbraw/zinc/38/64/09/1042386409.db2.gz WRIGDZVFVIJAFG-UHFFFAOYSA-N 0 1 322.767 4.412 20 5 DIBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccc(F)c(Cl)c1 ZINC000573505825 1042410048 /nfs/dbraw/zinc/41/00/48/1042410048.db2.gz NAAWXIAVRAIQEL-HNNXBMFYSA-N 0 1 320.751 4.164 20 5 DIBDMN C[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccccc1[N+](=O)[O-] ZINC000092856818 1042453281 /nfs/dbraw/zinc/45/32/81/1042453281.db2.gz HQQGFVXRKGJRCY-SJCJKPOMSA-N 0 1 314.360 4.462 20 5 DIBDMN CS[C@@H]1CC[C@@H](Nc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000302140099 1042466805 /nfs/dbraw/zinc/46/68/05/1042466805.db2.gz FDEDVUKNKGERIQ-DGCLKSJQSA-N 0 1 317.414 4.147 20 5 DIBDMN C[C@H](N[C@H]1CCSc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000266430277 1042951856 /nfs/dbraw/zinc/95/18/56/1042951856.db2.gz DBZCWPGYCHYNST-WFASDCNBSA-N 0 1 314.410 4.483 20 5 DIBDMN CSc1ccccc1[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000441335295 1043036486 /nfs/dbraw/zinc/03/64/86/1043036486.db2.gz FMGWXLCRPDONQN-ZDUSSCGKSA-N 0 1 316.426 4.476 20 5 DIBDMN COc1cc(Cl)ccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178654461 1043135587 /nfs/dbraw/zinc/13/55/87/1043135587.db2.gz DSAXVERDEZAWME-NSHDSACASA-N 0 1 320.776 4.108 20 5 DIBDMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441490046 1043182284 /nfs/dbraw/zinc/18/22/84/1043182284.db2.gz VJVKKZFKJCHAHN-XUJVJEKNSA-N 0 1 308.809 4.401 20 5 DIBDMN COc1ccsc1[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186127174 1043214839 /nfs/dbraw/zinc/21/48/39/1043214839.db2.gz RQMGAPOCJSVHLK-GHMZBOCLSA-N 0 1 306.387 4.077 20 5 DIBDMN COc1ccsc1[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186127117 1043215814 /nfs/dbraw/zinc/21/58/14/1043215814.db2.gz RQMGAPOCJSVHLK-QWRGUYRKSA-N 0 1 306.387 4.077 20 5 DIBDMN C[C@H](c1cccc(O)c1)N(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122591572 1043314289 /nfs/dbraw/zinc/31/42/89/1043314289.db2.gz JGNRFUMMBLIHOY-LLVKDONJSA-N 0 1 320.776 4.147 20 5 DIBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccs1 ZINC000872018456 1043419100 /nfs/dbraw/zinc/41/91/00/1043419100.db2.gz MHTNNWYWVGNRRJ-JTQLQIEISA-N 0 1 308.428 4.229 20 5 DIBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1 ZINC000872015938 1043419391 /nfs/dbraw/zinc/41/93/91/1043419391.db2.gz ANNILCIEHUQDKE-GFCCVEGCSA-N 0 1 302.399 4.168 20 5 DIBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1cccnc1 ZINC000872018791 1043421492 /nfs/dbraw/zinc/42/14/92/1043421492.db2.gz PLEDZRQGKGXDEI-VXGBXAGGSA-N 0 1 317.414 4.124 20 5 DIBDMN CSc1ccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000873183823 1043523760 /nfs/dbraw/zinc/52/37/60/1043523760.db2.gz LFUXWQPGLFWYMD-LBPRGKRZSA-N 0 1 302.399 4.168 20 5 DIBDMN Cc1c([C@H](C)N[C@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000927063069 1043678098 /nfs/dbraw/zinc/67/80/98/1043678098.db2.gz TYKJYILTHOWNRM-BBRMVZONSA-N 0 1 311.385 4.026 20 5 DIBDMN O=[N+]([O-])c1cccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 ZINC000261367404 1043756483 /nfs/dbraw/zinc/75/64/83/1043756483.db2.gz RAZLEKPMKNGVDI-UHFFFAOYSA-N 0 1 307.231 4.157 20 5 DIBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3ccc(F)cc32)c(F)c1 ZINC000355479369 1043769883 /nfs/dbraw/zinc/76/98/83/1043769883.db2.gz AFQPRZPOKMZIMS-QGZVFWFLSA-N 0 1 318.323 4.040 20 5 DIBDMN C[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000237369181 1043839072 /nfs/dbraw/zinc/83/90/72/1043839072.db2.gz QZBUFNVBWPTQOL-GFCCVEGCSA-N 0 1 316.426 4.386 20 5 DIBDMN CSc1ccccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932177795 1044107130 /nfs/dbraw/zinc/10/71/30/1044107130.db2.gz SHHAJVASRJEFJU-GFCCVEGCSA-N 0 1 302.399 4.168 20 5 DIBDMN Cc1cc(F)ccc1[C@H](C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000932562649 1044143643 /nfs/dbraw/zinc/14/36/43/1044143643.db2.gz PARBVBPLJIXZHZ-NSHDSACASA-N 0 1 306.312 4.032 20 5 DIBDMN Cc1cc(F)ccc1[C@@H](C)NCc1ccc(F)cc1[N+](=O)[O-] ZINC000932562534 1044143674 /nfs/dbraw/zinc/14/36/74/1044143674.db2.gz PIGZEDHYRDNDNT-LLVKDONJSA-N 0 1 306.312 4.032 20 5 DIBDMN CCC[C@H](N[C@@H](C)c1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000359225834 1044145695 /nfs/dbraw/zinc/14/56/95/1044145695.db2.gz GETICLQPTNHJHN-SJCJKPOMSA-N 0 1 317.364 4.321 20 5 DIBDMN Cc1cccnc1[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000934291158 1044236004 /nfs/dbraw/zinc/23/60/04/1044236004.db2.gz HMQLTEYZKGBOKK-QGZVFWFLSA-N 0 1 313.401 4.175 20 5 DIBDMN Cc1nc(C(C)C)ccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293790389 1044329838 /nfs/dbraw/zinc/32/98/38/1044329838.db2.gz MNIINDHJUMECLR-ZDUSSCGKSA-N 0 1 313.401 4.272 20 5 DIBDMN COc1ccc([C@@H](NCc2ccccc2[N+](=O)[O-])C(C)C)cc1 ZINC000102535263 1044345461 /nfs/dbraw/zinc/34/54/61/1044345461.db2.gz BEPZRAMDRIDSBG-SFHVURJKSA-N 0 1 314.385 4.090 20 5 DIBDMN CC(C)(NCc1nccc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001202579861 1044362578 /nfs/dbraw/zinc/36/25/78/1044362578.db2.gz UQHUYANSFYYJLZ-UHFFFAOYSA-N 0 1 321.380 4.168 20 5 DIBDMN CC[C@@H](NCc1nc2ccc(C)cc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000361805642 1044445996 /nfs/dbraw/zinc/44/59/96/1044445996.db2.gz AOTVHZYOVUHHBH-OAHLLOKOSA-N 0 1 324.384 4.020 20 5 DIBDMN Cc1cccnc1[C@@H](NCc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000118840172 1044487993 /nfs/dbraw/zinc/48/79/93/1044487993.db2.gz MZFVBEWRAYDUHE-KRWDZBQOSA-N 0 1 313.401 4.094 20 5 DIBDMN CC(C)(C)[C@@H](NCc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000886052615 1044603598 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C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCCc2occc2C1 ZINC000576216418 1045043030 /nfs/dbraw/zinc/04/30/30/1045043030.db2.gz IWFZBYUOAQBRJS-UVTDQMKNSA-N 0 1 312.369 4.040 20 5 DIBDMN Cc1ccc([C@@H](C)NCc2ccc(C(F)F)nc2)cc1[N+](=O)[O-] ZINC000601107814 1045188473 /nfs/dbraw/zinc/18/84/73/1045188473.db2.gz ABGPPSFWQJMXBG-LLVKDONJSA-N 0 1 321.327 4.087 20 5 DIBDMN Cc1ncc([C@@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)s1 ZINC000601149706 1045194377 /nfs/dbraw/zinc/19/43/77/1045194377.db2.gz QFHNQAOZWJWQDG-LLVKDONJSA-N 0 1 319.430 4.334 20 5 DIBDMN CC[C@H](N[C@@H](C)c1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000925227624 1045238196 /nfs/dbraw/zinc/23/81/96/1045238196.db2.gz ACOIANQPDWZIFZ-GTNSWQLSSA-N 0 1 318.348 4.241 20 5 DIBDMN CSc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000449347906 1045379978 /nfs/dbraw/zinc/37/99/78/1045379978.db2.gz JQQAZZRBCHNFRD-JTQLQIEISA-N 0 1 308.428 4.229 20 5 DIBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1cccc(C2CC2)c1 ZINC000449352582 1045380086 /nfs/dbraw/zinc/38/00/86/1045380086.db2.gz VOTMGVYZKHZRMB-LBPRGKRZSA-N 0 1 314.360 4.462 20 5 DIBDMN C[C@@H]1C[C@H](c2ccccc2)N(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000796620088 1045547641 /nfs/dbraw/zinc/54/76/41/1045547641.db2.gz OVSWPPPGVAUIMP-FZKQIMNGSA-N 0 1 314.360 4.317 20 5 DIBDMN CCCN(Cc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000520173778 1045863124 /nfs/dbraw/zinc/86/31/24/1045863124.db2.gz BBAIPPMZZHFZIG-UHFFFAOYSA-N 0 1 302.349 4.146 20 5 DIBDMN CCNc1ccccc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000902301925 1045969497 /nfs/dbraw/zinc/96/94/97/1045969497.db2.gz MUXUYUJWLQQZJJ-CQSZACIVSA-N 0 1 313.401 4.186 20 5 DIBDMN C[C@H](N[C@@H]1CCc2c1cc(F)cc2F)c1ccc([N+](=O)[O-])cc1 ZINC000830167172 1046046575 /nfs/dbraw/zinc/04/65/75/1046046575.db2.gz IEHFPJFFADIIBK-DYZYQPBXSA-N 0 1 318.323 4.211 20 5 DIBDMN O=[N+]([O-])c1ccc(Cl)c(CNCc2cccc3cc[nH]c32)c1 ZINC000756899888 1046149623 /nfs/dbraw/zinc/14/96/23/1046149623.db2.gz HCLSOKATOMNDQR-UHFFFAOYSA-N 0 1 315.760 4.019 20 5 DIBDMN COc1cc(C)ccc1[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903289886 1046224169 /nfs/dbraw/zinc/22/41/69/1046224169.db2.gz ZBPAWEUHZPOOQQ-KGLIPLIRSA-N 0 1 314.385 4.324 20 5 DIBDMN C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000903289835 1046224530 /nfs/dbraw/zinc/22/45/30/1046224530.db2.gz YJQFHNCDLZBKGV-MNOVXSKESA-N 0 1 306.312 4.285 20 5 DIBDMN C[C@@H](N[C@H]1CCCc2c(O)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000903286786 1046224795 /nfs/dbraw/zinc/22/47/95/1046224795.db2.gz GQXKWVKKYLLXNZ-PXAZEXFGSA-N 0 1 312.369 4.029 20 5 DIBDMN CCC[C@@H](N[C@@H](C)c1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000903311869 1046235845 /nfs/dbraw/zinc/23/58/45/1046235845.db2.gz RUNCZOAMEWWVMX-SMDDNHRTSA-N 0 1 305.403 4.243 20 5 DIBDMN CCC[C@H](N[C@H](C)c1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000321499544 1046301188 /nfs/dbraw/zinc/30/11/88/1046301188.db2.gz ZVHFKTOLNSBPSZ-BZNIZROVSA-N 0 1 317.389 4.392 20 5 DIBDMN CC(C)c1ccc(N(C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC001307527302 1046479334 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ZINC000050015561 334361850 /nfs/dbraw/zinc/36/18/50/334361850.db2.gz WFQDWNGWDMCPMT-SNVBAGLBSA-N 0 1 308.740 4.238 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1cnn(C(C)C)c1 ZINC000532229014 335921125 /nfs/dbraw/zinc/92/11/25/335921125.db2.gz WJRZPUVYWVFZSJ-KBPBESRZSA-N 0 1 316.405 4.092 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CSc2ccccc21 ZINC000532500426 336252145 /nfs/dbraw/zinc/25/21/45/336252145.db2.gz XKZHSJIWULQDGX-MLGOLLRUSA-N 0 1 314.410 4.401 20 5 DIBDMN CCOc1ccc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000105022338 336286896 /nfs/dbraw/zinc/28/68/96/336286896.db2.gz MHWJXUWDVPQZLX-AWEZNQCLSA-N 0 1 314.385 4.187 20 5 DIBDMN C[C@@H](NCc1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000193079368 336395454 /nfs/dbraw/zinc/39/54/54/336395454.db2.gz FJGQAJGCODFYGQ-LLVKDONJSA-N 0 1 322.311 4.047 20 5 DIBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(F)c(F)c1 ZINC000105036091 336397055 /nfs/dbraw/zinc/39/70/55/336397055.db2.gz MWKXANISZHMJCB-NSHDSACASA-N 0 1 306.312 4.066 20 5 DIBDMN CCC[C@@H](N[C@@H](C)c1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000359225836 336663591 /nfs/dbraw/zinc/66/35/91/336663591.db2.gz GETICLQPTNHJHN-YVEFUNNKSA-N 0 1 317.364 4.321 20 5 DIBDMN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(C)cc1 ZINC000172601706 337130235 /nfs/dbraw/zinc/13/02/35/337130235.db2.gz KXDUDZGYTVPIQZ-KRWDZBQOSA-N 0 1 314.385 4.153 20 5 DIBDMN CC[C@@H](N[C@@H](CC)c1cccc([N+](=O)[O-])c1)c1c(C)noc1C ZINC000181776367 337184690 /nfs/dbraw/zinc/18/46/90/337184690.db2.gz VWOMDVIIMSKVPW-JKSUJKDBSA-N 0 1 317.389 4.392 20 5 DIBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1(c2ccc(F)cc2)CC1 ZINC000584664860 337379250 /nfs/dbraw/zinc/37/92/50/337379250.db2.gz SLNHNYXFJTYOJY-INIZCTEOSA-N 0 1 312.344 4.000 20 5 DIBDMN CCc1ccccc1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000084202035 338001415 /nfs/dbraw/zinc/00/14/15/338001415.db2.gz IJGXTXIPVQDFMN-UHFFFAOYSA-N 0 1 304.777 4.100 20 5 DIBDMN CCN(Cc1ccccc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000516197305 338006531 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Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2ccccc2[N+](=O)[O-])o1 ZINC000464831185 339156032 /nfs/dbraw/zinc/15/60/32/339156032.db2.gz JYTJFXXMTCYONA-SUMWQHHRSA-N 0 1 314.385 4.469 20 5 DIBDMN Cc1c(CNCc2cccn2CCC(C)C)cccc1[N+](=O)[O-] ZINC000480484828 339574544 /nfs/dbraw/zinc/57/45/44/339574544.db2.gz XIGWYGRTZBHKHF-UHFFFAOYSA-N 0 1 315.417 4.041 20 5 DIBDMN Cc1c([C@@H](C)N[C@H]2CSc3ccccc32)cccc1[N+](=O)[O-] ZINC000483174546 339655201 /nfs/dbraw/zinc/65/52/01/339655201.db2.gz QZPNZNMIKYKARI-DOMZBBRYSA-N 0 1 314.410 4.401 20 5 DIBDMN CCOc1cc(CN[C@H](C)c2cc(C)oc2C)ccc1[N+](=O)[O-] ZINC000491607520 339868532 /nfs/dbraw/zinc/86/85/32/339868532.db2.gz PAXBGLGYHZWEAR-GFCCVEGCSA-N 0 1 318.373 4.054 20 5 DIBDMN C[C@H]1C[C@]1(NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000500394593 340056417 /nfs/dbraw/zinc/05/64/17/340056417.db2.gz FGESOMQHNLZSJO-YVEFUNNKSA-N 0 1 316.788 4.273 20 5 DIBDMN COc1ccc(CN(Cc2cccs2)C(C)C)cc1[N+](=O)[O-] ZINC000507007026 340205312 /nfs/dbraw/zinc/20/53/12/340205312.db2.gz KDLDPEHJMLEDBN-UHFFFAOYSA-N 0 1 320.414 4.076 20 5 DIBDMN COc1ccsc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000507175104 340211181 /nfs/dbraw/zinc/21/11/81/340211181.db2.gz UVAJYRNUCISLBZ-UHFFFAOYSA-N 0 1 320.414 4.076 20 5 DIBDMN CC[C@@H](C)CN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000509376123 340267709 /nfs/dbraw/zinc/26/77/09/340267709.db2.gz ZBBASPXXICRIBX-GFCCVEGCSA-N 0 1 319.430 4.196 20 5 DIBDMN C[C@@H](c1cc(F)ccc1F)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511108260 340321185 /nfs/dbraw/zinc/32/11/85/340321185.db2.gz PUZNAXXVBYZIRB-LBPRGKRZSA-N 0 1 320.339 4.109 20 5 DIBDMN Cc1nc(C)c(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000172761345 340340073 /nfs/dbraw/zinc/34/00/73/340340073.db2.gz CSRHPVNXVMEMON-UHFFFAOYSA-N 0 1 319.430 4.079 20 5 DIBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(Cl)c1 ZINC000037668347 340785930 /nfs/dbraw/zinc/78/59/30/340785930.db2.gz QEHCPLULUZMUPQ-SNVBAGLBSA-N 0 1 308.740 4.238 20 5 DIBDMN Cc1ccc([C@H](C)NCc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000071307108 341028648 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Cc1cc(Cl)cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000555577768 341485647 /nfs/dbraw/zinc/48/56/47/341485647.db2.gz RIKGJDXEVZPOPX-LBPRGKRZSA-N 0 1 304.777 4.407 20 5 DIBDMN COc1ccc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000266454845 341587482 /nfs/dbraw/zinc/58/74/82/341587482.db2.gz KHWNDLXLILVMAQ-CHWSQXEVSA-N 0 1 300.358 4.015 20 5 DIBDMN C[C@H](NC1(c2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000182215563 525285550 /nfs/dbraw/zinc/28/55/50/525285550.db2.gz VEIQPFMYEXTTKJ-LBPRGKRZSA-N 0 1 300.333 4.074 20 5 DIBDMN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000610216126 1035751341 /nfs/dbraw/zinc/75/13/41/1035751341.db2.gz NQTSPDVPXAFRER-CZUORRHYSA-N 0 1 316.426 4.282 20 5 DIBDMN O=[N+]([O-])c1cc(CN2CC[C@H](c3ccc(Cl)cc3)C2)cs1 ZINC000609541517 1035998399 /nfs/dbraw/zinc/99/83/99/1035998399.db2.gz XXDZAHWLOFBWKW-ZDUSSCGKSA-N 0 1 322.817 4.299 20 5 DIBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000070788207 1036265607 /nfs/dbraw/zinc/26/56/07/1036265607.db2.gz MPESSTNWZWFISU-WDEREUQCSA-N 0 1 306.312 4.285 20 5 DIBDMN COc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)c(Cl)cc1C ZINC001210399793 1036681135 /nfs/dbraw/zinc/68/11/35/1036681135.db2.gz UZNJYUZIFKVWSW-UHFFFAOYSA-N 0 1 308.721 4.014 20 5 DIBDMN Cc1c2ccccc2oc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579494217 1037003239 /nfs/dbraw/zinc/00/32/39/1037003239.db2.gz HAJWPPKRQAUQEO-INIZCTEOSA-N 0 1 322.364 4.427 20 5 DIBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H]1CCc2ccccc21 ZINC000050443482 1037270475 /nfs/dbraw/zinc/27/04/75/1037270475.db2.gz QPSRKOOKFWSXLK-OAHLLOKOSA-N 0 1 302.761 4.025 20 5 DIBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCc2sc(Cl)cc21 ZINC000580862178 1037336673 /nfs/dbraw/zinc/33/66/73/1037336673.db2.gz JKFHFCNLXSIKBG-CYBMUJFWSA-N 0 1 322.817 4.395 20 5 DIBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)c1ccc(C)cc1 ZINC000061255357 1038273168 /nfs/dbraw/zinc/27/31/68/1038273168.db2.gz IYFJDXARXZQHGE-CQSZACIVSA-N 0 1 314.385 4.105 20 5 DIBDMN Cc1c(CN(C)[C@H](C)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000603841213 1038293917 /nfs/dbraw/zinc/29/39/17/1038293917.db2.gz RXZAEEQLHDYCDI-GFCCVEGCSA-N 0 1 320.339 4.374 20 5 DIBDMN CCC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000276971706 1038305796 /nfs/dbraw/zinc/30/57/96/1038305796.db2.gz UJMWKBMURLIVDX-AWEZNQCLSA-N 0 1 320.414 4.296 20 5 DIBDMN O=[N+]([O-])c1cc(CN(Cc2ccccc2)CC2CCC2)cs1 ZINC000065161763 1038377198 /nfs/dbraw/zinc/37/71/98/1038377198.db2.gz ZJKLOVFDPPFGCU-UHFFFAOYSA-N 0 1 316.426 4.459 20 5 DIBDMN Cc1ccc(CN2C[C@H](C(F)(F)F)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000611561511 1038467719 /nfs/dbraw/zinc/46/77/19/1038467719.db2.gz USFFZHNXTJRSMF-WCQYABFASA-N 0 1 316.323 4.066 20 5 DIBDMN O=[N+]([O-])c1ccc(CNC2c3ccccc3-c3ccccc32)cc1 ZINC000061016405 1038834943 /nfs/dbraw/zinc/83/49/43/1038834943.db2.gz SGPITDFUMKJURI-UHFFFAOYSA-N 0 1 316.360 4.454 20 5 DIBDMN CCc1ccc([C@H](NCCC2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612411612 1039002976 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Cc1ccc([C@@H](C)NCc2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC001461253120 1063366324 /nfs/dbraw/zinc/36/63/24/1063366324.db2.gz DYTBHOZVSWSMDI-SNVBAGLBSA-N 0 1 324.302 4.171 20 5 DIBDMN C[C@H]1[C@H](Cc2ccccc2)CCN1Cc1csc([N+](=O)[O-])c1 ZINC001307519006 1065457965 /nfs/dbraw/zinc/45/79/65/1065457965.db2.gz JIUGZKGUZWNBEL-BBRMVZONSA-N 0 1 316.426 4.109 20 5 DIBDMN CC[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001307601348 1065505813 /nfs/dbraw/zinc/50/58/13/1065505813.db2.gz VHYLSAUFMWQBOS-OAHLLOKOSA-N 0 1 306.312 4.114 20 5 DIBDMN O=[N+]([O-])c1ccc(CN(Cc2ccccc2CF)C2CC2)cc1 ZINC001307647448 1065539455 /nfs/dbraw/zinc/53/94/55/1065539455.db2.gz DGXQEBKQHWXBSD-UHFFFAOYSA-N 0 1 314.360 4.229 20 5 DIBDMN COc1cc(CN2CCC(C)(C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC001307701332 1065572881 /nfs/dbraw/zinc/57/28/81/1065572881.db2.gz UWILHHJCPANOJL-UHFFFAOYSA-N 0 1 324.396 4.001 20 5 DIBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](c2ccccc2)C1 ZINC001307783852 1065619862 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CC(C)c1nc([C@@H](C)NCCc2cccc([N+](=O)[O-])c2)cs1 ZINC000274395159 130231703 /nfs/dbraw/zinc/23/17/03/130231703.db2.gz CYQFPGWBUCYVET-GFCCVEGCSA-N 0 1 319.430 4.068 20 5 DIBDMN C[C@H](NCc1cccc(C(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000275803585 130388825 /nfs/dbraw/zinc/38/88/25/130388825.db2.gz WWUNCCUMGFXTQV-NSHDSACASA-N 0 1 306.312 4.383 20 5 DIBDMN CSc1ccccc1[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000281795398 130885700 /nfs/dbraw/zinc/88/57/00/130885700.db2.gz UXQKPGZYJUACBO-LBPRGKRZSA-N 0 1 302.399 4.168 20 5 DIBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)F)c1 ZINC000121432251 132156012 /nfs/dbraw/zinc/15/60/12/132156012.db2.gz CHBPMNATQGZWNF-NSHDSACASA-N 0 1 322.311 4.047 20 5 DIBDMN C[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000559146720 331982120 /nfs/dbraw/zinc/98/21/20/331982120.db2.gz BWCGLYDZNLORNW-LLVKDONJSA-N 0 1 324.302 4.464 20 5 DIBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3sc(Cl)cc32)cc1 ZINC000127922187 332009315 /nfs/dbraw/zinc/00/93/15/332009315.db2.gz 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333355978 /nfs/dbraw/zinc/35/59/78/333355978.db2.gz UVNSGGIFVOKMMY-LLVKDONJSA-N 0 1 316.323 4.239 20 5 DIBDMN C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000390841282 333398665 /nfs/dbraw/zinc/39/86/65/333398665.db2.gz CJEOMDRYJRRURP-LLVKDONJSA-N 0 1 324.302 4.464 20 5 DIBDMN COc1ccc(CN[C@@H](C)c2cc(C)sc2C)cc1[N+](=O)[O-] ZINC000098124399 333507873 /nfs/dbraw/zinc/50/78/73/333507873.db2.gz GVUQABURFFRGEU-NSHDSACASA-N 0 1 320.414 4.133 20 5 DIBDMN Cc1c(CN[C@H]2CC(C)(C)Cc3occc32)cccc1[N+](=O)[O-] ZINC000331790030 336148531 /nfs/dbraw/zinc/14/85/31/336148531.db2.gz HTWBJKBTBDRHQF-HNNXBMFYSA-N 0 1 314.385 4.300 20 5 DIBDMN COc1cc(CN2CCC[C@H]2c2ccsc2)ccc1[N+](=O)[O-] ZINC000351978400 336185085 /nfs/dbraw/zinc/18/50/85/336185085.db2.gz SAEFBJJEPFYJLW-AWEZNQCLSA-N 0 1 318.398 4.002 20 5 DIBDMN CC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(C)cc1 ZINC000352271586 336209248 /nfs/dbraw/zinc/20/92/48/336209248.db2.gz CICIPBVINZQAFB-HNNXBMFYSA-N 0 1 324.384 4.020 20 5 DIBDMN Cc1c([C@H](C)N[C@H](C)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000532511778 336252944 /nfs/dbraw/zinc/25/29/44/336252944.db2.gz XFPIAGYRMBBYQO-KGLIPLIRSA-N 0 1 316.405 4.092 20 5 DIBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(Cl)s1)CCC2 ZINC000192751467 336260546 /nfs/dbraw/zinc/26/05/46/336260546.db2.gz ISRBYSLDZAUCEQ-CQSZACIVSA-N 0 1 322.817 4.477 20 5 DIBDMN Cc1cc(Cl)cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000395248738 337214760 /nfs/dbraw/zinc/21/47/60/337214760.db2.gz ZBDNQCYQXMDKOB-GFCCVEGCSA-N 0 1 304.777 4.407 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cnc2ccccc2c1 ZINC000536857407 337746390 /nfs/dbraw/zinc/74/63/90/337746390.db2.gz KYJYWBGXBRPTOW-CQSZACIVSA-N 0 1 321.380 4.302 20 5 DIBDMN CCN(Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000516197306 338006587 /nfs/dbraw/zinc/00/65/87/338006587.db2.gz ZHJSLHLVIROSDW-ZDUSSCGKSA-N 0 1 302.349 4.317 20 5 DIBDMN O=[N+]([O-])c1ccc(CN2CCC(F)(c3ccccc3)CC2)cc1 ZINC000434493841 338218359 /nfs/dbraw/zinc/21/83/59/338218359.db2.gz 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ZINC000172974500 524784126 /nfs/dbraw/zinc/78/41/26/524784126.db2.gz MYBQOOGHCJHURT-STQMWFEESA-N 0 1 300.358 4.015 20 5 DIBDMN C[C@@H](N[C@H]1CCc2c1cccc2F)c1ccccc1[N+](=O)[O-] ZINC000266442096 525691495 /nfs/dbraw/zinc/69/14/95/525691495.db2.gz GZUZGDLXDKARCR-BZNIZROVSA-N 0 1 300.333 4.072 20 5 DIBDMN Cc1c([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C(C)C ZINC000191213890 525921508 /nfs/dbraw/zinc/92/15/08/525921508.db2.gz ZKBKAUOQVVEHCQ-STQMWFEESA-N 0 1 316.405 4.092 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1cccc(O)c1 ZINC000126613212 526090522 /nfs/dbraw/zinc/09/05/22/526090522.db2.gz IWMCGECEVJTXNL-CHWSQXEVSA-N 0 1 300.358 4.021 20 5 DIBDMN Cc1cc([C@@H](C)NCc2cc(F)ccc2[N+](=O)[O-])c(C)s1 ZINC000049507054 1035522462 /nfs/dbraw/zinc/52/24/62/1035522462.db2.gz CFYSCVWLPOXNDD-SNVBAGLBSA-N 0 1 308.378 4.263 20 5 DIBDMN CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000610215757 1035751738 /nfs/dbraw/zinc/75/17/38/1035751738.db2.gz QEHJVDPMAYDTPL-HNNXBMFYSA-N 0 1 304.415 4.109 20 5 DIBDMN CC[C@@H](Cc1ccccc1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000610215804 1035753436 /nfs/dbraw/zinc/75/34/36/1035753436.db2.gz ZOPFHKVANROFAO-HNNXBMFYSA-N 0 1 316.376 4.187 20 5 DIBDMN COc1cc(CN(C)CCC2CCCCC2)c([N+](=O)[O-])cc1F ZINC001167273307 1036354697 /nfs/dbraw/zinc/35/46/97/1036354697.db2.gz BDWXBROUIXPSMF-UHFFFAOYSA-N 0 1 324.396 4.145 20 5 DIBDMN CCOc1ccccc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000323065691 1036472101 /nfs/dbraw/zinc/47/21/01/1036472101.db2.gz NMGWORVSACEAMJ-CQSZACIVSA-N 0 1 314.385 4.153 20 5 DIBDMN CC[C@@H](C)c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001167322100 1036703269 /nfs/dbraw/zinc/70/32/69/1036703269.db2.gz WBHQXRVHFQOORQ-LLVKDONJSA-N 0 1 314.341 4.066 20 5 DIBDMN CCCCN(Cc1cccnc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC001167474948 1037809466 /nfs/dbraw/zinc/80/94/66/1037809466.db2.gz UYXQXLFLLMMOBK-OAHLLOKOSA-N 0 1 313.401 4.353 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000599035790 1038224744 /nfs/dbraw/zinc/22/47/44/1038224744.db2.gz NTKLIBPKTUJNCH-OAHLLOKOSA-N 0 1 320.751 4.164 20 5 DIBDMN C[C@H](c1cccc(Cl)c1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000603856632 1038301448 /nfs/dbraw/zinc/30/14/48/1038301448.db2.gz OTNILZZIYVMUMD-GFCCVEGCSA-N 0 1 304.777 4.441 20 5 DIBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H]2c2cccc(F)c2)c1 ZINC000603868539 1038308970 /nfs/dbraw/zinc/30/89/70/1038308970.db2.gz UCWWQRZTSWFXDX-KRWDZBQOSA-N 0 1 300.333 4.071 20 5 DIBDMN CCC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccn1 ZINC000610810431 1038352100 /nfs/dbraw/zinc/35/21/00/1038352100.db2.gz IQPQGURTCHIFFO-KDOFPFPSSA-N 0 1 313.401 4.490 20 5 DIBDMN Cc1ccc([C@H](C)NCc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000098161391 1038393648 /nfs/dbraw/zinc/39/36/48/1038393648.db2.gz PZKGFUPETZHPSK-NSHDSACASA-N 0 1 306.312 4.032 20 5 DIBDMN CC(C)(C)Oc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000604435057 1038414933 /nfs/dbraw/zinc/41/49/33/1038414933.db2.gz WJBNLHDODHYNIT-UHFFFAOYSA-N 0 1 314.385 4.062 20 5 DIBDMN Cc1ccc(CN2C[C@@H](C(F)(F)F)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000611561512 1038466336 /nfs/dbraw/zinc/46/63/36/1038466336.db2.gz USFFZHNXTJRSMF-YPMHNXCESA-N 0 1 316.323 4.066 20 5 DIBDMN C[C@H](NC1(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000538555356 1038481651 /nfs/dbraw/zinc/48/16/51/1038481651.db2.gz ZYXKUBYYKNWZLQ-LBPRGKRZSA-N 0 1 300.333 4.074 20 5 DIBDMN Cc1c(CN(Cc2cccs2)C2CC2)cccc1[N+](=O)[O-] ZINC000051408272 1038565758 /nfs/dbraw/zinc/56/57/58/1038565758.db2.gz OEEBSYNDFYWHHU-UHFFFAOYSA-N 0 1 302.399 4.129 20 5 DIBDMN COc1cc(C)ccc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119828838 1038582416 /nfs/dbraw/zinc/58/24/16/1038582416.db2.gz AFARWHKCXGSAEI-AWEZNQCLSA-N 0 1 314.385 4.071 20 5 DIBDMN Cc1nc2c(s1)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000178686409 1038975712 /nfs/dbraw/zinc/97/57/12/1038975712.db2.gz WKXZMDYKJWWMHT-HZMBPMFUSA-N 0 1 317.414 4.088 20 5 DIBDMN Cc1ccsc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000534336842 1039038587 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O=[N+]([O-])c1cc(CN2CCCC[C@H]2Cc2ccccc2)cs1 ZINC000110633015 1041802380 /nfs/dbraw/zinc/80/23/80/1041802380.db2.gz OACCNLFNWXBINB-INIZCTEOSA-N 0 1 316.426 4.254 20 5 DIBDMN O=[N+]([O-])c1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1Cl ZINC000261367585 1042275080 /nfs/dbraw/zinc/27/50/80/1042275080.db2.gz XTYZQPAZTALOFL-UHFFFAOYSA-N 0 1 308.124 4.445 20 5 DIBDMN C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC001171019855 1042327406 /nfs/dbraw/zinc/32/74/06/1042327406.db2.gz XRNUWANITMOLBX-JKSUJKDBSA-N 0 1 316.426 4.424 20 5 DIBDMN C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC001171019524 1042327957 /nfs/dbraw/zinc/32/79/57/1042327957.db2.gz XRNUWANITMOLBX-CVEARBPZSA-N 0 1 316.426 4.424 20 5 DIBDMN Nc1ccc2cc3ccc(Nc4cc(N)ccc4F)cc3nc2c1 ZINC001211837102 1042519042 /nfs/dbraw/zinc/51/90/42/1042519042.db2.gz ALASAUUMURHPQB-UHFFFAOYSA-N 0 1 318.355 4.435 20 5 DIBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CC(F)(F)F)C1 ZINC000420951792 1042616339 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Cc1ccc([C@H](C)N[C@@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000178134377 1043123076 /nfs/dbraw/zinc/12/30/76/1043123076.db2.gz QVPIPZMOVIHTST-KBPBESRZSA-N 0 1 316.405 4.092 20 5 DIBDMN CCOc1ccccc1[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266841739 1043175533 /nfs/dbraw/zinc/17/55/33/1043175533.db2.gz GYOQPKIIUMUMAD-ZIAGYGMSSA-N 0 1 314.385 4.405 20 5 DIBDMN COc1ccccc1[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000268716620 1043324718 /nfs/dbraw/zinc/32/47/18/1043324718.db2.gz IUAQTHPDWHJIPJ-ZIAGYGMSSA-N 0 1 314.385 4.324 20 5 DIBDMN COc1ccccc1[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000268716618 1043325602 /nfs/dbraw/zinc/32/56/02/1043325602.db2.gz IUAQTHPDWHJIPJ-KGLIPLIRSA-N 0 1 314.385 4.324 20 5 DIBDMN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1cccc(C)c1 ZINC000353501374 1043611402 /nfs/dbraw/zinc/61/14/02/1043611402.db2.gz HXCFOKFQQVMLED-QGZVFWFLSA-N 0 1 314.385 4.153 20 5 DIBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCCc3cccnc31)CCC2 ZINC000927061785 1043678316 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CC[C@H](NCc1nc2ccc(C)cc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000361805641 1044444964 /nfs/dbraw/zinc/44/49/64/1044444964.db2.gz AOTVHZYOVUHHBH-HNNXBMFYSA-N 0 1 324.384 4.020 20 5 DIBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000362956570 1044568434 /nfs/dbraw/zinc/56/84/34/1044568434.db2.gz ANSBFSNCZMOIRK-BDAKNGLRSA-N 0 1 323.784 4.053 20 5 DIBDMN O=[N+]([O-])c1ncccc1CN[C@@H](c1ccccc1)C1CCCC1 ZINC000886064633 1044604725 /nfs/dbraw/zinc/60/47/25/1044604725.db2.gz GNIXHBMUFHKOBH-KRWDZBQOSA-N 0 1 311.385 4.011 20 5 DIBDMN Cc1cccc([C@@H](NCc2cccnc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000886111485 1044615117 /nfs/dbraw/zinc/61/51/17/1044615117.db2.gz CFKPQBOTDGPZJR-MRXNPFEDSA-N 0 1 313.401 4.175 20 5 DIBDMN Cc1ccccc1[C@H](CC(C)C)NCc1cccnc1[N+](=O)[O-] ZINC000886111650 1044616286 /nfs/dbraw/zinc/61/62/86/1044616286.db2.gz GEIPLECLJHOTJV-KRWDZBQOSA-N 0 1 313.401 4.175 20 5 DIBDMN CC(C)(NCc1ccnc2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000574621233 1044961590 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CCC[C@H](N[C@@H](C)c1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000903311867 1046233916 /nfs/dbraw/zinc/23/39/16/1046233916.db2.gz RUNCZOAMEWWVMX-FZMZJTMJSA-N 0 1 305.403 4.243 20 5 DIBDMN CCC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccn1 ZINC000610810433 1046374140 /nfs/dbraw/zinc/37/41/40/1046374140.db2.gz IQPQGURTCHIFFO-RDTXWAMCSA-N 0 1 313.401 4.490 20 5 DIBDMN CC(C)(CC(F)(F)F)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000780587423 1046395926 /nfs/dbraw/zinc/39/59/26/1046395926.db2.gz MTMWLQPKQSGYPA-UHFFFAOYSA-N 0 1 310.703 4.069 20 5 DIBDMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000261441553 1046549586 /nfs/dbraw/zinc/54/95/86/1046549586.db2.gz BSQLTSBCHSAFQW-HNNXBMFYSA-N 0 1 302.399 4.302 20 5 DIBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]2Cc2ccccc2)cc1Cl ZINC000783570414 1046610103 /nfs/dbraw/zinc/61/01/03/1046610103.db2.gz GNGVASYHSWBQGS-HNNXBMFYSA-N 0 1 316.788 4.065 20 5 DIBDMN CC(C)N(Cc1cccs1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774580 1046685121 /nfs/dbraw/zinc/68/51/21/1046685121.db2.gz 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C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000319661414 333394100 /nfs/dbraw/zinc/39/41/00/333394100.db2.gz FSGQLCMUWHOHNH-CQSZACIVSA-N 0 1 310.397 4.324 20 5 DIBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)c1ccccc1C ZINC000430221741 334000637 /nfs/dbraw/zinc/00/06/37/334000637.db2.gz DRESRKMOCAHSGI-CQSZACIVSA-N 0 1 314.385 4.105 20 5 DIBDMN Cc1nc(C)c([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000194384386 338517004 /nfs/dbraw/zinc/51/70/04/338517004.db2.gz NFZPKLVTDNRDQO-WDEREUQCSA-N 0 1 319.430 4.388 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(F)c(F)c1 ZINC000532465538 336249287 /nfs/dbraw/zinc/24/92/87/336249287.db2.gz TZZRQNWDEVXRHK-LLVKDONJSA-N 0 1 306.312 4.032 20 5 DIBDMN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC000192757439 336260620 /nfs/dbraw/zinc/26/06/20/336260620.db2.gz MBFZFMMUQCHPIA-CXAGYDPISA-N 0 1 314.385 4.405 20 5 DIBDMN Cc1cc2[nH]ncc2cc1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000302733001 336367135 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C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000122274660 337913540 /nfs/dbraw/zinc/91/35/40/337913540.db2.gz CZLHISPDKWJWNH-LLVKDONJSA-N 0 1 324.302 4.464 20 5 DIBDMN C[C@@H](NC1(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000537452768 337937188 /nfs/dbraw/zinc/93/71/88/337937188.db2.gz BKXCXNMHCBMJQT-GFCCVEGCSA-N 0 1 300.333 4.074 20 5 DIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1cc(C)cc(C)c1 ZINC000430193779 338100473 /nfs/dbraw/zinc/10/04/73/338100473.db2.gz AVUHPPKDMMQQOZ-AWEZNQCLSA-N 0 1 314.385 4.071 20 5 DIBDMN C[C@@H](NCc1cc(C2CC2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000453247854 338813882 /nfs/dbraw/zinc/81/38/82/338813882.db2.gz BGJBNZMQINBJEJ-GFCCVEGCSA-N 0 1 314.360 4.462 20 5 DIBDMN COc1cc(CN[C@@H](C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000459787850 339048549 /nfs/dbraw/zinc/04/85/49/339048549.db2.gz PCWKMPXQNVFTAN-NSHDSACASA-N 0 1 320.776 4.108 20 5 DIBDMN C[C@H]1CCCc2ccccc2[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000462543681 339080896 /nfs/dbraw/zinc/08/08/96/339080896.db2.gz USAGZGLEPJICNX-SJCJKPOMSA-N 0 1 316.426 4.460 20 5 DIBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cc2cccc(F)c2o1 ZINC000474014841 339397054 /nfs/dbraw/zinc/39/70/54/339397054.db2.gz KLLRBKAVIBWJKY-NSHDSACASA-N 0 1 314.316 4.331 20 5 DIBDMN C[C@@]1(NCc2ccc([N+](=O)[O-])cc2F)CCCc2ccccc21 ZINC000478271814 339512183 /nfs/dbraw/zinc/51/21/83/339512183.db2.gz GVIFSPTUZYNTHT-GOSISDBHSA-N 0 1 314.360 4.075 20 5 DIBDMN Cc1c([C@H](C)N[C@@H]2CSc3ccccc32)cccc1[N+](=O)[O-] ZINC000483174548 339655143 /nfs/dbraw/zinc/65/51/43/339655143.db2.gz QZPNZNMIKYKARI-SWLSCSKDSA-N 0 1 314.410 4.401 20 5 DIBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc2ncsc2c1 ZINC000485831255 339713940 /nfs/dbraw/zinc/71/39/40/339713940.db2.gz GMVNWXSRPZCZLQ-LLVKDONJSA-N 0 1 313.382 4.055 20 5 DIBDMN Cc1ccc(F)cc1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000491997804 339888797 /nfs/dbraw/zinc/88/87/97/339888797.db2.gz ISTKFOWKUMXQEX-UHFFFAOYSA-N 0 1 302.349 4.067 20 5 DIBDMN CC(C)(NCc1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000492223314 339894668 /nfs/dbraw/zinc/89/46/68/339894668.db2.gz HBMFVAZAOBGAGO-UHFFFAOYSA-N 0 1 322.767 4.412 20 5 DIBDMN C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccccc1 ZINC000494450014 339949583 /nfs/dbraw/zinc/94/95/83/339949583.db2.gz ZIVWADCGIZLWAI-LLVKDONJSA-N 0 1 324.302 4.464 20 5 DIBDMN CCCN(CCc1cccc(F)c1)Cc1csc([N+](=O)[O-])c1 ZINC000500234719 340053730 /nfs/dbraw/zinc/05/37/30/340053730.db2.gz XWVNSOOEVKFKGU-UHFFFAOYSA-N 0 1 322.405 4.250 20 5 DIBDMN Cc1ccccc1[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505868509 340180231 /nfs/dbraw/zinc/18/02/31/340180231.db2.gz OCVLHBBFXMZJCS-QGZVFWFLSA-N 0 1 314.360 4.379 20 5 DIBDMN Cc1ccc(CN2CCC[C@@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000507174827 340211168 /nfs/dbraw/zinc/21/11/68/340211168.db2.gz SPYKLTXEXFIMCF-OAHLLOKOSA-N 0 1 302.399 4.302 20 5 DIBDMN C[C@H](c1ccc(F)cc1F)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511080257 340320267 /nfs/dbraw/zinc/32/02/67/340320267.db2.gz IGBJIFKURFEYQL-GFCCVEGCSA-N 0 1 320.339 4.109 20 5 DIBDMN CSc1ccccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000511166218 340323155 /nfs/dbraw/zinc/32/31/55/340323155.db2.gz BHVNNQMBGLPWNG-GFCCVEGCSA-N 0 1 302.399 4.168 20 5 DIBDMN Cc1c(CNCc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000237604667 340672633 /nfs/dbraw/zinc/67/26/33/340672633.db2.gz QGAHJUJPBUUCCN-UHFFFAOYSA-N 0 1 324.302 4.212 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CCCc2ccc(Cl)cc21 ZINC000540192269 340922607 /nfs/dbraw/zinc/92/26/07/340922607.db2.gz CEQFNINMKPCXHR-INIZCTEOSA-N 0 1 316.788 4.415 20 5 DIBDMN C[C@@H]1C[C@H]1c1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000540557110 340935967 /nfs/dbraw/zinc/93/59/67/340935967.db2.gz CJDQROHSFWHBNO-LNRYFFFSSA-N 0 1 312.369 4.114 20 5 DIBDMN O=[N+]([O-])c1ccc(CNCc2ccc(-c3ccccc3)o2)cc1 ZINC000069783648 340982174 /nfs/dbraw/zinc/98/21/74/340982174.db2.gz MNXULLCIINDURI-UHFFFAOYSA-N 0 1 308.337 4.145 20 5 DIBDMN Cc1cc([N+](=O)[O-])ccc1CN(Cc1cccs1)C1CC1 ZINC000543631023 341052112 /nfs/dbraw/zinc/05/21/12/341052112.db2.gz YYHWSQZJMGDIEF-UHFFFAOYSA-N 0 1 302.399 4.129 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1Cl ZINC000132436447 341123122 /nfs/dbraw/zinc/12/31/22/341123122.db2.gz OUNYBAULUNUBKI-LBPRGKRZSA-N 0 1 304.777 4.407 20 5 DIBDMN C[C@@H](c1ccc(F)cc1F)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000549174402 341288040 /nfs/dbraw/zinc/28/80/40/341288040.db2.gz ZWWXVZMXUZKZGF-LBPRGKRZSA-N 0 1 320.339 4.109 20 5 DIBDMN COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267470504 341591676 /nfs/dbraw/zinc/59/16/76/341591676.db2.gz XRWYWBDSPRLNGN-KBPBESRZSA-N 0 1 314.385 4.324 20 5 DIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cccs1 ZINC000182551820 519782136 /nfs/dbraw/zinc/78/21/36/519782136.db2.gz CQKYEHQFVVFNGJ-GFCCVEGCSA-N 0 1 320.414 4.294 20 5 DIBDMN CC[C@H](N[C@H](COC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180845422 522748253 /nfs/dbraw/zinc/74/82/53/522748253.db2.gz KOVCMCMKOTWZRT-ZWKOTPCHSA-N 0 1 314.385 4.023 20 5 DIBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1 ZINC000181392363 525535223 /nfs/dbraw/zinc/53/52/23/525535223.db2.gz ZQIBHAHXFQTKNS-QWRGUYRKSA-N 0 1 305.765 4.055 20 5 DIBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1 ZINC000181392406 525615321 /nfs/dbraw/zinc/61/53/21/525615321.db2.gz ZQIBHAHXFQTKNS-WDEREUQCSA-N 0 1 305.765 4.055 20 5 DIBDMN C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccccc1[N+](=O)[O-] ZINC000266435054 525692899 /nfs/dbraw/zinc/69/28/99/525692899.db2.gz FAXQSGFLICLKBB-BZNIZROVSA-N 0 1 300.333 4.072 20 5 DIBDMN Cc1c(CN[C@@H](C)c2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000181635307 525728575 /nfs/dbraw/zinc/72/85/75/525728575.db2.gz LEACPRYGWKDSMY-NSHDSACASA-N 0 1 306.312 4.032 20 5 DIBDMN Cc1c([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C(C)C ZINC000191213873 525899863 /nfs/dbraw/zinc/89/98/63/525899863.db2.gz ZKBKAUOQVVEHCQ-QWHCGFSZSA-N 0 1 316.405 4.092 20 5 DIBDMN CC[C@H](N[C@@H](CCOC)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000272534480 535931400 /nfs/dbraw/zinc/93/14/00/535931400.db2.gz JPMGTTKAVNMYRY-HOTGVXAUSA-N 0 1 318.373 4.006 20 5 DIBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H](c2ccccc2)C1 ZINC000609705379 1036028493 /nfs/dbraw/zinc/02/84/93/1036028493.db2.gz XKYXTOONWBLSOX-CQSZACIVSA-N 0 1 316.788 4.238 20 5 DIBDMN Cc1ccc(CN(Cc2ccccc2F)C(C)C)cc1[N+](=O)[O-] ZINC001167248414 1036318206 /nfs/dbraw/zinc/31/82/06/1036318206.db2.gz QEWRNSPZXJSRKC-UHFFFAOYSA-N 0 1 316.376 4.453 20 5 DIBDMN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000609915905 1036477535 /nfs/dbraw/zinc/47/75/35/1036477535.db2.gz WOIIHGSYGOGZPO-LLVKDONJSA-N 0 1 324.833 4.373 20 5 DIBDMN O=[N+]([O-])c1cc(Nc2ccccc2OC2CCCC2)ccc1O ZINC001210400770 1036683912 /nfs/dbraw/zinc/68/39/12/1036683912.db2.gz LTFCZVKKMLOWNI-UHFFFAOYSA-N 0 1 314.341 4.365 20 5 DIBDMN CCCCN(Cc1cccnc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC001167474947 1037810964 /nfs/dbraw/zinc/81/09/64/1037810964.db2.gz UYXQXLFLLMMOBK-HNNXBMFYSA-N 0 1 313.401 4.353 20 5 DIBDMN Cc1cc(C)c(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000602807356 1038092887 /nfs/dbraw/zinc/09/28/87/1038092887.db2.gz YBWQMCIONAQJDI-CQSZACIVSA-N 0 1 313.401 4.074 20 5 DIBDMN C[C@H](N[C@@H](c1ccccn1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599064326 1038227205 /nfs/dbraw/zinc/22/72/05/1038227205.db2.gz ATOBQDZNFPRNSC-SCLBCKFNSA-N 0 1 311.385 4.182 20 5 DIBDMN C[C@H](N[C@H](c1ccccn1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599064328 1038228541 /nfs/dbraw/zinc/22/85/41/1038228541.db2.gz ATOBQDZNFPRNSC-UGSOOPFHSA-N 0 1 311.385 4.182 20 5 DIBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H](c1ccccn1)C1CCC1 ZINC000599069721 1038232253 /nfs/dbraw/zinc/23/22/53/1038232253.db2.gz VIGOZDDYDFDIID-APWZRJJASA-N 0 1 323.396 4.108 20 5 DIBDMN C[C@H](N[C@H]1CSCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000610805793 1038350991 /nfs/dbraw/zinc/35/09/91/1038350991.db2.gz SXNQQLGDVCYGEA-SJCJKPOMSA-N 0 1 314.410 4.234 20 5 DIBDMN CC(C)[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000061558060 1038408273 /nfs/dbraw/zinc/40/82/73/1038408273.db2.gz BPVFOWHMWQBKOA-QGZVFWFLSA-N 0 1 302.349 4.221 20 5 DIBDMN CC(C)(C)Oc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000604435028 1038415798 /nfs/dbraw/zinc/41/57/98/1038415798.db2.gz MZOQRWGDEVWLFV-UHFFFAOYSA-N 0 1 314.385 4.062 20 5 DIBDMN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000051626809 1038642578 /nfs/dbraw/zinc/64/25/78/1038642578.db2.gz SLAGHNRWGAEACG-MRXNPFEDSA-N 0 1 304.777 4.489 20 5 DIBDMN C[C@@H](c1ccccc1)[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000339028535 1038676680 /nfs/dbraw/zinc/67/66/80/1038676680.db2.gz LAXPWIBCZXIBGX-ZDUSSCGKSA-N 0 1 312.369 4.026 20 5 DIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(C)c(C)c1 ZINC000178729202 1039054251 /nfs/dbraw/zinc/05/42/51/1039054251.db2.gz GVUPWGBREWRXPY-AWEZNQCLSA-N 0 1 314.385 4.071 20 5 DIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccc(C)c1C ZINC000178728568 1039054437 /nfs/dbraw/zinc/05/44/37/1039054437.db2.gz GDGXGAMRGFLECI-AWEZNQCLSA-N 0 1 314.385 4.071 20 5 DIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000027537193 1039093783 /nfs/dbraw/zinc/09/37/83/1039093783.db2.gz XDNNEWWYXYPSOW-NSHDSACASA-N 0 1 320.776 4.108 20 5 DIBDMN COc1ccc(C)cc1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000152770552 1039242739 /nfs/dbraw/zinc/24/27/39/1039242739.db2.gz XHYDXYGQPYIDGS-UONOGXRCSA-N 0 1 314.385 4.324 20 5 DIBDMN COc1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000152791697 1039262865 /nfs/dbraw/zinc/26/28/65/1039262865.db2.gz JTIDPFYZAJDKBY-NWDGAFQWSA-N 0 1 318.348 4.154 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000052454728 1039386848 /nfs/dbraw/zinc/38/68/48/1039386848.db2.gz ZAMUBAISFBCUPB-MRXNPFEDSA-N 0 1 300.333 4.071 20 5 DIBDMN CCC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1cc(C)ccn1 ZINC000601277848 1039393508 /nfs/dbraw/zinc/39/35/08/1039393508.db2.gz JQRLNSMXMZTZRH-INIZCTEOSA-N 0 1 313.401 4.238 20 5 DIBDMN CCc1ccc([C@@H](NCC2CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549142 1039702123 /nfs/dbraw/zinc/70/21/23/1039702123.db2.gz FOKVFBOAFSJPIU-SFHVURJKSA-N 0 1 314.385 4.229 20 5 DIBDMN 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CC(C)CC[C@@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001459718671 1062333512 /nfs/dbraw/zinc/33/35/12/1062333512.db2.gz DOSDJOMNFJBYPX-HNNXBMFYSA-N 0 1 306.406 4.091 20 5 DIBDMN CC[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001459818704 1062424643 /nfs/dbraw/zinc/42/46/43/1062424643.db2.gz UTUJRQNNRYPYFS-MRXNPFEDSA-N 0 1 320.339 4.422 20 5 DIBDMN Cc1ccc(CN2CCC=C(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC001460079777 1062622589 /nfs/dbraw/zinc/62/25/89/1062622589.db2.gz CHQFDQAFYXLWOO-UHFFFAOYSA-N 0 1 308.381 4.193 20 5 DIBDMN CC(C)CC1(C)CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001460198679 1062696723 /nfs/dbraw/zinc/69/67/23/1062696723.db2.gz VNEXQFXTKBANJM-UHFFFAOYSA-N 0 1 308.397 4.382 20 5 DIBDMN Cc1cccc(Cl)c1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001460767351 1063051308 /nfs/dbraw/zinc/05/13/08/1063051308.db2.gz QWAKDXHPGLZORJ-GFCCVEGCSA-N 0 1 304.777 4.407 20 5 DIBDMN O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]2C2CCCC2)c(F)c1 ZINC001473117514 1063418933 /nfs/dbraw/zinc/41/89/33/1063418933.db2.gz VRXPCQBCBCQQGJ-INIZCTEOSA-N 0 1 310.344 4.028 20 5 DIBDMN C/C(=C\c1ccccc1)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC001461339476 1063426452 /nfs/dbraw/zinc/42/64/52/1063426452.db2.gz GPQDKDMCMWTDLI-UKTHLTGXSA-N 0 1 316.788 4.441 20 5 DIBDMN CC1(C)CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC001473141570 1063450496 /nfs/dbraw/zinc/45/04/96/1063450496.db2.gz SCBIRLVTZOLENJ-UHFFFAOYSA-N 0 1 316.323 4.236 20 5 DIBDMN Cc1ccc(C[C@@H](C)N(C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001473177986 1063484484 /nfs/dbraw/zinc/48/44/84/1063484484.db2.gz UICSSOVQEVAGLA-CQSZACIVSA-N 0 1 316.376 4.105 20 5 DIBDMN Cc1ccc(C[C@H](C)N(C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001473177985 1063484549 /nfs/dbraw/zinc/48/45/49/1063484549.db2.gz UICSSOVQEVAGLA-AWEZNQCLSA-N 0 1 316.376 4.105 20 5 DIBDMN O=[N+]([O-])c1ccc(O)cc1CSc1c(F)cc(F)cc1F ZINC001307296339 1065330887 /nfs/dbraw/zinc/33/08/87/1065330887.db2.gz RCTNJYKMRWGSLO-UHFFFAOYSA-N 0 1 315.272 4.010 20 5 DIBDMN O=[N+]([O-])c1ccc(O)cc1CSc1cc(Cl)ccc1F ZINC001307341256 1065349761 /nfs/dbraw/zinc/34/97/61/1065349761.db2.gz WWEOOXQJCNKARN-UHFFFAOYSA-N 0 1 313.737 4.385 20 5 DIBDMN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001307479712 1065426010 /nfs/dbraw/zinc/42/60/10/1065426010.db2.gz QFBZOOPDXZYBPA-OHUAYANFSA-N 0 1 310.344 4.026 20 5 DIBDMN CCCN(Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001307553246 1065478213 /nfs/dbraw/zinc/47/82/13/1065478213.db2.gz NUFSIDGLZQNFNA-UHFFFAOYSA-N 0 1 320.776 4.370 20 5 DIBDMN CN(CCCc1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001307571742 1065488262 /nfs/dbraw/zinc/48/82/62/1065488262.db2.gz NYBDNAGNUMQJCA-UHFFFAOYSA-N 0 1 318.804 4.313 20 5 DIBDMN COc1cc(CN2CCC[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC001307581906 1065495345 /nfs/dbraw/zinc/49/53/45/1065495345.db2.gz DKLHHOWKPVXDOJ-CYBMUJFWSA-N 0 1 324.396 4.001 20 5 DIBDMN CC1(C)CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308691093 1066182768 /nfs/dbraw/zinc/18/27/68/1066182768.db2.gz MPYUCXCEIBXKNK-UHFFFAOYSA-N 0 1 316.323 4.236 20 5 DIBDMN O=[N+]([O-])c1cccc(CN2CCCCC[C@@H]2c2ccco2)c1 ZINC000078830990 185117117 /nfs/dbraw/zinc/11/71/17/185117117.db2.gz ASDPKSQGBHWLKE-MRXNPFEDSA-N 0 1 300.358 4.305 20 5 DIBDMN Cc1nc(C)c([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000040518058 183090204 /nfs/dbraw/zinc/09/02/04/183090204.db2.gz NFBLPWDKFFRCJH-VHSXEESVSA-N 0 1 305.403 4.080 20 5 DIBDMN COc1ccc([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000273016157 130082486 /nfs/dbraw/zinc/08/24/86/130082486.db2.gz ZTFXPLQLOSWNPE-KGLIPLIRSA-N 0 1 314.385 4.324 20 5 DIBDMN C[C@H](N[C@@H](C)c1cc(F)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000120865275 132147313 /nfs/dbraw/zinc/14/73/13/132147313.db2.gz CTOFXTZAOJJVKZ-QWRGUYRKSA-N 0 1 306.312 4.285 20 5 DIBDMN Cc1ccc([C@@H](C)N[C@@H]2CCCc3occc32)cc1[N+](=O)[O-] ZINC000120785636 132151391 /nfs/dbraw/zinc/15/13/91/132151391.db2.gz YRTSIVFSZRFKJZ-IUODEOHRSA-N 0 1 300.358 4.224 20 5 DIBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(OC(F)F)c1 ZINC000121432434 132155607 /nfs/dbraw/zinc/15/56/07/132155607.db2.gz CHBPMNATQGZWNF-LLVKDONJSA-N 0 1 322.311 4.047 20 5 DIBDMN Cc1ccc(CN[C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000035009633 331465603 /nfs/dbraw/zinc/46/56/03/331465603.db2.gz VSNYRFJIWKMYIG-LBPRGKRZSA-N 0 1 304.777 4.407 20 5 DIBDMN O=[N+]([O-])c1cccc(CN[C@H]2CCCc3sc(Cl)cc32)c1 ZINC000128246263 332010916 /nfs/dbraw/zinc/01/09/16/332010916.db2.gz IZQRYHYONNXIDU-ZDUSSCGKSA-N 0 1 322.817 4.477 20 5 DIBDMN Cc1ccccc1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963674 332331488 /nfs/dbraw/zinc/33/14/88/332331488.db2.gz UXRUJWKWLMSRDQ-GFCCVEGCSA-N 0 1 304.777 4.407 20 5 DIBDMN CSc1ccccc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000194920242 333317408 /nfs/dbraw/zinc/31/74/08/333317408.db2.gz IKDLGXQQBGEJSJ-LBPRGKRZSA-N 0 1 302.399 4.168 20 5 DIBDMN CC[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1OC ZINC000319587316 333319390 /nfs/dbraw/zinc/31/93/90/333319390.db2.gz JSTXTYBLGRPJLK-XJKSGUPXSA-N 0 1 314.385 4.405 20 5 DIBDMN Cc1c(CN[C@@H](C)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000048334960 333587255 /nfs/dbraw/zinc/58/72/55/333587255.db2.gz YKXZRJOXMSCMSO-LBPRGKRZSA-N 0 1 304.777 4.407 20 5 DIBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)c1ccccc1C ZINC000430221740 334000640 /nfs/dbraw/zinc/00/06/40/334000640.db2.gz DRESRKMOCAHSGI-AWEZNQCLSA-N 0 1 314.385 4.105 20 5 DIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1c(C)cccc1C ZINC000430225201 334002946 /nfs/dbraw/zinc/00/29/46/334002946.db2.gz LIQAPHAXEQXTQR-AWEZNQCLSA-N 0 1 314.385 4.071 20 5 DIBDMN O=[N+]([O-])c1ccc(CNCCSc2ccccc2)c(Cl)c1 ZINC000049963468 334359652 /nfs/dbraw/zinc/35/96/52/334359652.db2.gz KMIGERPOBBSSHM-UHFFFAOYSA-N 0 1 322.817 4.130 20 5 DIBDMN COc1cc(C)ccc1[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000563682351 334377807 /nfs/dbraw/zinc/37/78/07/334377807.db2.gz ZBPAWEUHZPOOQQ-KBPBESRZSA-N 0 1 314.385 4.324 20 5 DIBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H](Cc3ccccc3)C2)cs1 ZINC000520698506 336026046 /nfs/dbraw/zinc/02/60/46/336026046.db2.gz SGYMIOXKNHIOJE-HNNXBMFYSA-N 0 1 316.426 4.111 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CSc2ccccc21 ZINC000532500424 336252257 /nfs/dbraw/zinc/25/22/57/336252257.db2.gz XKZHSJIWULQDGX-BLLLJJGKSA-N 0 1 314.410 4.401 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CSc2ccccc21 ZINC000532500427 336252260 /nfs/dbraw/zinc/25/22/60/336252260.db2.gz XKZHSJIWULQDGX-WBMJQRKESA-N 0 1 314.410 4.401 20 5 DIBDMN CCC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000356841639 336562793 /nfs/dbraw/zinc/56/27/93/336562793.db2.gz GKOZTIVJGPDAKF-OAHLLOKOSA-N 0 1 324.384 4.102 20 5 DIBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccc(C2CC2)cc1 ZINC000418115319 336821949 /nfs/dbraw/zinc/82/19/49/336821949.db2.gz ONXUQNBNGKNFRU-LBPRGKRZSA-N 0 1 314.360 4.462 20 5 DIBDMN Cc1cc(Cl)cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000395248743 337214691 /nfs/dbraw/zinc/21/46/91/337214691.db2.gz ZBDNQCYQXMDKOB-LBPRGKRZSA-N 0 1 304.777 4.407 20 5 DIBDMN COc1cc(C)ccc1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000320587989 337598884 /nfs/dbraw/zinc/59/88/84/337598884.db2.gz BTJZQKWOAWKYHM-UONOGXRCSA-N 0 1 314.385 4.324 20 5 DIBDMN CSc1cc(C)ccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119263486 337855797 /nfs/dbraw/zinc/85/57/97/337855797.db2.gz YXRSPVQMQWOMFA-CYBMUJFWSA-N 0 1 316.426 4.476 20 5 DIBDMN COc1cc(C)ccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000119838249 337864943 /nfs/dbraw/zinc/86/49/43/337864943.db2.gz NGSXBDOPKACTTO-AWEZNQCLSA-N 0 1 314.385 4.071 20 5 DIBDMN COc1cc(C)ccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000119838115 337864995 /nfs/dbraw/zinc/86/49/95/337864995.db2.gz VJJRGWPWOUWPMC-CQSZACIVSA-N 0 1 314.385 4.071 20 5 DIBDMN CC(C)c1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000430087791 338095531 /nfs/dbraw/zinc/09/55/31/338095531.db2.gz IDSFXTZXRGXQKB-JKSUJKDBSA-N 0 1 324.371 4.195 20 5 DIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1cccc(Cl)c1 ZINC000430212492 338101605 /nfs/dbraw/zinc/10/16/05/338101605.db2.gz NPVRKWYYJVZMHA-LLVKDONJSA-N 0 1 320.776 4.108 20 5 DIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1cc(C)sc1C ZINC000430210416 338101608 /nfs/dbraw/zinc/10/16/08/338101608.db2.gz DDRASMDDCINDFJ-LLVKDONJSA-N 0 1 320.414 4.133 20 5 DIBDMN CC1(C)C[C@H](NCc2ccsc2)c2cc([N+](=O)[O-])ccc21 ZINC000433161158 338183452 /nfs/dbraw/zinc/18/34/52/338183452.db2.gz JGJAHNORYDCDQV-HNNXBMFYSA-N 0 1 302.399 4.169 20 5 DIBDMN CC1(C)C[C@@H](NCc2ccsc2)c2cc([N+](=O)[O-])ccc21 ZINC000433161160 338183461 /nfs/dbraw/zinc/18/34/61/338183461.db2.gz JGJAHNORYDCDQV-OAHLLOKOSA-N 0 1 302.399 4.169 20 5 DIBDMN CSc1ccccc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000440621967 338392770 /nfs/dbraw/zinc/39/27/70/338392770.db2.gz DAXJVMPZHBMOOX-ZDUSSCGKSA-N 0 1 316.426 4.476 20 5 DIBDMN Cc1cccc(Cl)c1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451104278 338721197 /nfs/dbraw/zinc/72/11/97/338721197.db2.gz QWAKDXHPGLZORJ-LBPRGKRZSA-N 0 1 304.777 4.407 20 5 DIBDMN C[C@H]1C[C@H](c2ccccc2F)N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000464723772 339149931 /nfs/dbraw/zinc/14/99/31/339149931.db2.gz CHOMIMMWVCNZPB-SCLBCKFNSA-N 0 1 314.360 4.317 20 5 DIBDMN C[C@@H]1C[C@H](c2ccccc2F)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000464725333 339149998 /nfs/dbraw/zinc/14/99/98/339149998.db2.gz NGLKWUSKYBVLSH-FZKQIMNGSA-N 0 1 314.360 4.317 20 5 DIBDMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2ccccc2[N+](=O)[O-])o1 ZINC000464831183 339155992 /nfs/dbraw/zinc/15/59/92/339155992.db2.gz JYTJFXXMTCYONA-DYVFJYSZSA-N 0 1 314.385 4.469 20 5 DIBDMN CSc1ccc(F)cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467859086 339247927 /nfs/dbraw/zinc/24/79/27/339247927.db2.gz ONYYGUAPQQJGNK-NSHDSACASA-N 0 1 320.389 4.307 20 5 DIBDMN CC(C)c1cccc(CNCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000479397582 339533113 /nfs/dbraw/zinc/53/31/13/339533113.db2.gz XIVQMYTWHNDBEK-UHFFFAOYSA-N 0 1 302.349 4.147 20 5 DIBDMN C[C@@H]1C[C@@]1(NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000500394590 340056498 /nfs/dbraw/zinc/05/64/98/340056498.db2.gz FGESOMQHNLZSJO-PXAZEXFGSA-N 0 1 316.788 4.273 20 5 DIBDMN C[C@H]1C[C@]1(NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503406559 340127598 /nfs/dbraw/zinc/12/75/98/340127598.db2.gz MGQWXPJFHDGELI-YVEFUNNKSA-N 0 1 316.788 4.273 20 5 DIBDMN Cc1cc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000506707025 340199855 /nfs/dbraw/zinc/19/98/55/340199855.db2.gz NGXNGKDPLVZMHF-CYBMUJFWSA-N 0 1 302.349 4.235 20 5 DIBDMN CC(C)N(Cc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000506845138 340202710 /nfs/dbraw/zinc/20/27/10/340202710.db2.gz BHGFFGVYGKADFX-UHFFFAOYSA-N 0 1 302.349 4.145 20 5 DIBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000512159067 340350257 /nfs/dbraw/zinc/35/02/57/340350257.db2.gz IBBPZDYRRUGDJP-KRWDZBQOSA-N 0 1 304.365 4.056 20 5 DIBDMN Cc1ccc([C@H](C)NCc2sccc2Cl)cc1[N+](=O)[O-] ZINC000193139576 340573071 /nfs/dbraw/zinc/57/30/71/340573071.db2.gz YQYBBYKMPZPWCD-JTQLQIEISA-N 0 1 310.806 4.469 20 5 DIBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3ccccc32)c(Cl)c1 ZINC000237813556 340674054 /nfs/dbraw/zinc/67/40/54/340674054.db2.gz CAFKOVZPAOBJBE-QGZVFWFLSA-N 0 1 316.788 4.415 20 5 DIBDMN Cc1c([C@@H](C)NC2(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000538555349 340833015 /nfs/dbraw/zinc/83/30/15/340833015.db2.gz ZWHDYIZSNBWEBN-CYBMUJFWSA-N 0 1 314.360 4.382 20 5 DIBDMN O=[N+]([O-])c1cccc(CCN[C@@H](c2ccco2)c2ccccc2)c1 ZINC000541564843 340974820 /nfs/dbraw/zinc/97/48/20/340974820.db2.gz FONOZHVRXRWYBT-LJQANCHMSA-N 0 1 322.364 4.110 20 5 DIBDMN Cc1ccc([C@@H](C)NCc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000071307107 341028598 /nfs/dbraw/zinc/02/85/98/341028598.db2.gz OIRGTBQJWBSHPF-SNVBAGLBSA-N 0 1 310.806 4.469 20 5 DIBDMN COc1ccc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000078991705 341251636 /nfs/dbraw/zinc/25/16/36/341251636.db2.gz HIRULDBPKOKOBP-VXGBXAGGSA-N 0 1 318.348 4.154 20 5 DIBDMN CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)Cc1ccsc1 ZINC000548301701 341254920 /nfs/dbraw/zinc/25/49/20/341254920.db2.gz YMBXGAKWWYOZIF-CYBMUJFWSA-N 0 1 304.415 4.109 20 5 DIBDMN CC(C)(NCc1cc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000080347346 341273111 /nfs/dbraw/zinc/27/31/11/341273111.db2.gz 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ZINC000070788203 1036267943 /nfs/dbraw/zinc/26/79/43/1036267943.db2.gz MPESSTNWZWFISU-QWRGUYRKSA-N 0 1 306.312 4.285 20 5 DIBDMN O=[N+]([O-])c1cc(Nc2c(Cl)ccc([O-])c2Cl)ccc1[O-] ZINC001210397945 1036679326 /nfs/dbraw/zinc/67/93/26/1036679326.db2.gz JOSDHBJHDYXNOU-UHFFFAOYSA-N 0 1 315.112 4.056 20 5 DIBDMN C[C@@H]1CCC[C@H](C)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001167336796 1036799753 /nfs/dbraw/zinc/79/97/53/1036799753.db2.gz BRTNIVPWNYKXJX-PHIMTYICSA-N 0 1 316.323 4.377 20 5 DIBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCCc2sccc2C1 ZINC000610369480 1036912270 /nfs/dbraw/zinc/91/22/70/1036912270.db2.gz ZPFKFVWAJDIXRH-GFCCVEGCSA-N 0 1 302.399 4.166 20 5 DIBDMN Cc1c2ccccc2oc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579494218 1037003061 /nfs/dbraw/zinc/00/30/61/1037003061.db2.gz HAJWPPKRQAUQEO-MRXNPFEDSA-N 0 1 322.364 4.427 20 5 DIBDMN Cc1ccc([C@@H](C)NCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000050443730 1037271212 /nfs/dbraw/zinc/27/12/12/1037271212.db2.gz NUHLYZVIVVAYRO-SNVBAGLBSA-N 0 1 310.806 4.469 20 5 DIBDMN Cc1ccc([C@@H](C)NCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000093632837 1037878052 /nfs/dbraw/zinc/87/80/52/1037878052.db2.gz UUDVLJNSGKCJET-GFCCVEGCSA-N 0 1 304.777 4.407 20 5 DIBDMN Cc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000175989219 1038147949 /nfs/dbraw/zinc/14/79/49/1038147949.db2.gz NVGVVGWPYRGFMI-UHFFFAOYSA-N 0 1 320.339 4.206 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CCc2cc(F)c(Cl)cc21 ZINC000599035789 1038224986 /nfs/dbraw/zinc/22/49/86/1038224986.db2.gz NTKLIBPKTUJNCH-HNNXBMFYSA-N 0 1 320.751 4.164 20 5 DIBDMN C[C@@H](N[C@H]1CCCc2c(O)cccc21)c1ccccc1[N+](=O)[O-] ZINC000276803547 1038224976 /nfs/dbraw/zinc/22/49/76/1038224976.db2.gz MLQBFYZWGPCWSX-WBMJQRKESA-N 0 1 312.369 4.029 20 5 DIBDMN C[C@H](c1ccc(Cl)cc1)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000603497577 1038226846 /nfs/dbraw/zinc/22/68/46/1038226846.db2.gz DKKLCVVKXRAGQM-GFCCVEGCSA-N 0 1 304.777 4.441 20 5 DIBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H](c1ccccn1)C1CCC1 ZINC000599069741 1038232699 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CCCN(Cc1ccc(OC)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000604492888 1038420021 /nfs/dbraw/zinc/42/00/21/1038420021.db2.gz QNHGMJHHGPRMGY-UHFFFAOYSA-N 0 1 314.385 4.016 20 5 DIBDMN C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccnc1 ZINC000342108726 1038434403 /nfs/dbraw/zinc/43/44/03/1038434403.db2.gz SMRUQFDMAVMDLY-CYBMUJFWSA-N 0 1 323.352 4.101 20 5 DIBDMN COCC[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000342288094 1038518379 /nfs/dbraw/zinc/51/83/79/1038518379.db2.gz YQDKIXZYIZPUHR-PBHICJAKSA-N 0 1 314.385 4.023 20 5 DIBDMN CC(C)[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1F ZINC000479386935 1038706521 /nfs/dbraw/zinc/70/65/21/1038706521.db2.gz IBLSRSVPJSHVJB-QGZVFWFLSA-N 0 1 320.339 4.360 20 5 DIBDMN Cc1cccnc1[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178703129 1039026650 /nfs/dbraw/zinc/02/66/50/1039026650.db2.gz VFSKHZFIIGUQRD-RHSMWYFYSA-N 0 1 313.401 4.346 20 5 DIBDMN Cc1ccc([C@H](C)NC2(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000539657058 1039314109 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CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccccc1 ZINC000181361699 1041275276 /nfs/dbraw/zinc/27/52/76/1041275276.db2.gz XCBUNWKKYNAHNK-CQSZACIVSA-N 0 1 314.385 4.233 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN1CCCCC[C@H]1c1ccncc1 ZINC000120166784 1041358824 /nfs/dbraw/zinc/35/88/24/1041358824.db2.gz VGVCKXGHINLUTK-KRWDZBQOSA-N 0 1 311.385 4.107 20 5 DIBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCc1cccs1 ZINC000811472023 1041527892 /nfs/dbraw/zinc/52/78/92/1041527892.db2.gz RVIJKWJHSPTITC-UHFFFAOYSA-N 0 1 317.197 4.253 20 5 DIBDMN O=[N+]([O-])c1cc(CNc2cc3c(cn2)CCCC3)ccc1Cl ZINC000812345791 1041617116 /nfs/dbraw/zinc/61/71/16/1041617116.db2.gz OSYMHGHUKUGVQW-UHFFFAOYSA-N 0 1 317.776 4.134 20 5 DIBDMN CC[C@H]1c2ccsc2CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000015037421 1041751433 /nfs/dbraw/zinc/75/14/33/1041751433.db2.gz QJRGMVMUCDPYDY-HNNXBMFYSA-N 0 1 302.399 4.166 20 5 DIBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@]2(CC=CCC2)C1 ZINC000217198340 1041869208 /nfs/dbraw/zinc/86/92/08/1041869208.db2.gz SMJHFCDGPWUCBE-KRWDZBQOSA-N 0 1 304.365 4.056 20 5 DIBDMN Cc1ccc(CN2CCC[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000421384898 1042635001 /nfs/dbraw/zinc/63/50/01/1042635001.db2.gz FUVXIBVHXZHMHT-CYBMUJFWSA-N 0 1 316.323 4.068 20 5 DIBDMN COc1cc(Cl)ccc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000421843770 1042659555 /nfs/dbraw/zinc/65/95/55/1042659555.db2.gz NKHBUXLQINLUQY-NSHDSACASA-N 0 1 320.776 4.108 20 5 DIBDMN C[C@H](NCc1ccc(C2CC2)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000425951237 1042883646 /nfs/dbraw/zinc/88/36/46/1042883646.db2.gz PAAGBCRPDPCBHY-LBPRGKRZSA-N 0 1 314.360 4.462 20 5 DIBDMN CCc1nc(C)c([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000866539604 1043219136 /nfs/dbraw/zinc/21/91/36/1043219136.db2.gz DRHQDYFXSUPDDO-NSHDSACASA-N 0 1 319.430 4.081 20 5 DIBDMN CCC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1cc(C)ccn1 ZINC000866540965 1043220264 /nfs/dbraw/zinc/22/02/64/1043220264.db2.gz VRABNOOLRKBKBJ-INIZCTEOSA-N 0 1 313.401 4.238 20 5 DIBDMN C[C@H](NCc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000053149499 1043286408 /nfs/dbraw/zinc/28/64/08/1043286408.db2.gz AXXYLFUWXHVQAM-JTQLQIEISA-N 0 1 308.740 4.238 20 5 DIBDMN CSc1ccccc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000442850178 1043431348 /nfs/dbraw/zinc/43/13/48/1043431348.db2.gz DAXJVMPZHBMOOX-CYBMUJFWSA-N 0 1 316.426 4.476 20 5 DIBDMN CCN(Cc1ccncc1)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000348936258 1043482762 /nfs/dbraw/zinc/48/27/62/1043482762.db2.gz RXZRFWLVDVQTAI-UHFFFAOYSA-N 0 1 313.401 4.135 20 5 DIBDMN Cc1c([C@@H](C)N[C@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000927063070 1043677154 /nfs/dbraw/zinc/67/71/54/1043677154.db2.gz TYKJYILTHOWNRM-CJNGLKHVSA-N 0 1 311.385 4.026 20 5 DIBDMN CC(C)Cc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000896509478 1043922595 /nfs/dbraw/zinc/92/25/95/1043922595.db2.gz FOGXYZBPEHCINI-CQSZACIVSA-N 0 1 313.401 4.039 20 5 DIBDMN CC(C)(NCc1cc(Cl)cs1)c1ccccc1[N+](=O)[O-] ZINC000291666247 1044092410 /nfs/dbraw/zinc/09/24/10/1044092410.db2.gz FTDVIEHCKCJTMG-UHFFFAOYSA-N 0 1 310.806 4.335 20 5 DIBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCCOc2ccccc21 ZINC000565218109 1044420038 /nfs/dbraw/zinc/42/00/38/1044420038.db2.gz OXISYKDORVXFSN-DLBZAZTESA-N 0 1 324.380 4.086 20 5 DIBDMN Cc1nc(C)c([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000040518076 1044422682 /nfs/dbraw/zinc/42/26/82/1044422682.db2.gz UZEYSPNTDWLNIA-NXEZZACHSA-N 0 1 305.403 4.080 20 5 DIBDMN CC(C)c1ccc(C(C)(C)NCc2cccnc2[N+](=O)[O-])cc1 ZINC000886065916 1044603847 /nfs/dbraw/zinc/60/38/47/1044603847.db2.gz YTMJIDMRNFUFOP-UHFFFAOYSA-N 0 1 313.401 4.138 20 5 DIBDMN Cc1ccccc1[C@@H](CC(C)C)NCc1cccnc1[N+](=O)[O-] ZINC000886111651 1044615465 /nfs/dbraw/zinc/61/54/65/1044615465.db2.gz GEIPLECLJHOTJV-QGZVFWFLSA-N 0 1 313.401 4.175 20 5 DIBDMN COc1ccc(Cl)cc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000089513263 1044738949 /nfs/dbraw/zinc/73/89/49/1044738949.db2.gz CSGUSASXWNADQL-NSHDSACASA-N 0 1 320.776 4.108 20 5 DIBDMN CSc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1F ZINC000089512227 1044740758 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Cc1cc(N2CCc3ccccc3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302133276 336350028 /nfs/dbraw/zinc/35/00/28/336350028.db2.gz CLHOQJIGMQDPLY-UHFFFAOYSA-N 0 1 319.364 4.014 20 5 DIBDMN CC(C)CC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000353396425 336415329 /nfs/dbraw/zinc/41/53/29/336415329.db2.gz SWHDOBUHRFEMPZ-KRWDZBQOSA-N 0 1 302.374 4.455 20 5 DIBDMN CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1c(C)noc1C ZINC000181770925 337184578 /nfs/dbraw/zinc/18/45/78/337184578.db2.gz RIAMCWROVMHDIN-ZBEGNZNMSA-N 0 1 317.389 4.310 20 5 DIBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NC1(c2ccc(F)cc2)CC1 ZINC000584664861 337379282 /nfs/dbraw/zinc/37/92/82/337379282.db2.gz SLNHNYXFJTYOJY-MRXNPFEDSA-N 0 1 312.344 4.000 20 5 DIBDMN O=[N+]([O-])c1cccc(CN[C@H](CC(F)F)c2ccccc2)c1 ZINC000420984762 337517523 /nfs/dbraw/zinc/51/75/23/337517523.db2.gz GSOOIFPUHYQAGJ-OAHLLOKOSA-N 0 1 306.312 4.081 20 5 DIBDMN C[C@@H](N[C@H]1CCCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000285312806 337595243 /nfs/dbraw/zinc/59/52/43/337595243.db2.gz 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20 5 DIBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCc2sccc2C1 ZINC000470169541 339312588 /nfs/dbraw/zinc/31/25/88/339312588.db2.gz GBSNXGJOXJVBLX-UKTHLTGXSA-N 0 1 314.410 4.118 20 5 DIBDMN C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cc2cccc(F)c2o1 ZINC000473989413 339396432 /nfs/dbraw/zinc/39/64/32/339396432.db2.gz ZZYLFUQJITVUDF-LLVKDONJSA-N 0 1 314.316 4.331 20 5 DIBDMN CCc1cccc(F)c1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000474807540 339427308 /nfs/dbraw/zinc/42/73/08/339427308.db2.gz CUKNAXNYMRTFDI-CYBMUJFWSA-N 0 1 316.376 4.456 20 5 DIBDMN Cc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1F ZINC000492336338 339897979 /nfs/dbraw/zinc/89/79/79/339897979.db2.gz VPMORRMAKSJXJN-UHFFFAOYSA-N 0 1 302.349 4.067 20 5 DIBDMN Cc1ccc([C@H](C)NCc2cnc3ccccc3c2)cc1[N+](=O)[O-] ZINC000499604859 340040623 /nfs/dbraw/zinc/04/06/23/340040623.db2.gz GWAVHZMWEJNZET-AWEZNQCLSA-N 0 1 321.380 4.302 20 5 DIBDMN CC(C)[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000500466609 340059863 /nfs/dbraw/zinc/05/98/63/340059863.db2.gz CRWLRTJDABDXIK-QGZVFWFLSA-N 0 1 320.339 4.360 20 5 DIBDMN C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000506185660 340187903 /nfs/dbraw/zinc/18/79/03/340187903.db2.gz ASBXAYJRFQVMTN-NSHDSACASA-N 0 1 320.776 4.147 20 5 DIBDMN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000506185660 340187904 /nfs/dbraw/zinc/18/79/04/340187904.db2.gz ASBXAYJRFQVMTN-NSHDSACASA-N 0 1 320.776 4.147 20 5 DIBDMN C[C@@H](c1cccc(Cl)c1)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000506185660 340187905 /nfs/dbraw/zinc/18/79/05/340187905.db2.gz ASBXAYJRFQVMTN-NSHDSACASA-N 0 1 320.776 4.147 20 5 DIBDMN CC(C)N(Cc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507115353 340208033 /nfs/dbraw/zinc/20/80/33/340208033.db2.gz HOSVOQGSIYSGPR-UHFFFAOYSA-N 0 1 302.349 4.145 20 5 DIBDMN C[C@@H](NC/C=C\c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000511991008 340344607 /nfs/dbraw/zinc/34/46/07/340344607.db2.gz QJQKWPSQEXQXEN-QMAVJUDZSA-N 0 1 318.323 4.237 20 5 DIBDMN CC(C)c1ccc(CN2CCC(C(F)F)CC2)cc1[N+](=O)[O-] 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CCN(Cc1cccc(F)c1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000488609175 1049683055 /nfs/dbraw/zinc/68/30/55/1049683055.db2.gz IKIJAVULXNVCDP-CYBMUJFWSA-N 0 1 302.349 4.317 20 5 DIBDMN CCN(Cc1cccc(F)c1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000488609177 1049683302 /nfs/dbraw/zinc/68/33/02/1049683302.db2.gz IKIJAVULXNVCDP-ZDUSSCGKSA-N 0 1 302.349 4.317 20 5 DIBDMN CN(Cc1ccn(C)n1)Cc1c2ccccc2cc2ccccc21 ZINC001206303386 1049705665 /nfs/dbraw/zinc/70/56/65/1049705665.db2.gz IINKVEVPVOTCJG-UHFFFAOYSA-N 0 1 315.420 4.359 20 5 DIBDMN Cc1ccc2c(c1)[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC001206516643 1049748580 /nfs/dbraw/zinc/74/85/80/1049748580.db2.gz ARUWWFRWZWBGOD-KRWDZBQOSA-N 0 1 316.788 4.334 20 5 DIBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2ccccc2)c(F)c1 ZINC000491193532 1049891120 /nfs/dbraw/zinc/89/11/20/1049891120.db2.gz AWRAMHKHDSRPCN-KRWDZBQOSA-N 0 1 300.333 4.071 20 5 DIBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1N[C@@H]1CCCC1(F)F ZINC000588232547 1049976918 /nfs/dbraw/zinc/97/69/18/1049976918.db2.gz 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CCCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000133224297 341164343 /nfs/dbraw/zinc/16/43/43/341164343.db2.gz FJXHWNWOXBWEIS-UHFFFAOYSA-N 0 1 317.414 4.093 20 5 DIBDMN O=c1[nH]c(-c2ccc(O)c(Cl)c2)nc2cc3ccccc3cc12 ZINC000077256520 341221715 /nfs/dbraw/zinc/22/17/15/341221715.db2.gz PMLBEVFBDDDELZ-UHFFFAOYSA-N 0 1 322.751 4.102 20 5 DIBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCCC23CCC3)c1 ZINC000549999347 341308541 /nfs/dbraw/zinc/30/85/41/341308541.db2.gz BPMWUSVTAVVSHK-UHFFFAOYSA-N 0 1 314.307 4.132 20 5 DIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H]3CF)s2)cc1 ZINC000552391913 341390955 /nfs/dbraw/zinc/39/09/55/341390955.db2.gz BYNXUXUVEBPGGV-AWEZNQCLSA-N 0 1 320.389 4.257 20 5 DIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(C)c(C)c1 ZINC000178729192 341963057 /nfs/dbraw/zinc/96/30/57/341963057.db2.gz GVUPWGBREWRXPY-CQSZACIVSA-N 0 1 314.385 4.071 20 5 DIBDMN CC(C)Oc1ccccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000193902547 519784316 /nfs/dbraw/zinc/78/43/16/519784316.db2.gz 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DIBDMN Cc1c(CN(C)[C@@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000603836894 1038292679 /nfs/dbraw/zinc/29/26/79/1038292679.db2.gz BWKVRFVEECRGKL-ZDUSSCGKSA-N 0 1 302.349 4.235 20 5 DIBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3sccc32)c(Cl)c1 ZINC000061362088 1038331237 /nfs/dbraw/zinc/33/12/37/1038331237.db2.gz MDRWZBNFHIAIND-CQSZACIVSA-N 0 1 322.817 4.477 20 5 DIBDMN Cc1ccc(CN2C[C@H](C(F)(F)F)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000611561510 1038467779 /nfs/dbraw/zinc/46/77/79/1038467779.db2.gz USFFZHNXTJRSMF-DGCLKSJQSA-N 0 1 316.323 4.066 20 5 DIBDMN Cc1c(CN[C@@H](C)c2ccc3ccccc3n2)cccc1[N+](=O)[O-] ZINC000478500670 1038655750 /nfs/dbraw/zinc/65/57/50/1038655750.db2.gz KBPFSOUATUCOGA-AWEZNQCLSA-N 0 1 321.380 4.302 20 5 DIBDMN CCc1nc(C)c([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000178684478 1038976673 /nfs/dbraw/zinc/97/66/73/1038976673.db2.gz NYWAZVGPGKTYDG-GHMZBOCLSA-N 0 1 319.430 4.334 20 5 DIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cc(C)cc(C)c1 ZINC000178728098 1039055518 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CCC[C@H](NCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000120163778 1041361060 /nfs/dbraw/zinc/36/10/60/1041361060.db2.gz GYVJYXXMBNZQCN-KRWDZBQOSA-N 0 1 302.349 4.365 20 5 DIBDMN O=[N+]([O-])c1cccc(F)c1CN[C@H](c1ccccc1)C1CCC1 ZINC000104702357 1041557620 /nfs/dbraw/zinc/55/76/20/1041557620.db2.gz QFKMGJHALZWUQK-GOSISDBHSA-N 0 1 314.360 4.365 20 5 DIBDMN C[C@@H](N[C@H]1CSCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000314642508 1042164063 /nfs/dbraw/zinc/16/40/63/1042164063.db2.gz CEABAVAMWNTASR-PXAZEXFGSA-N 0 1 314.410 4.234 20 5 DIBDMN CCC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000182332085 1042496770 /nfs/dbraw/zinc/49/67/70/1042496770.db2.gz PTKWGKWAGVWCFV-QGZVFWFLSA-N 0 1 314.385 4.234 20 5 DIBDMN Cc1c(CN[C@H](CC(F)F)c2ccccc2)cccc1[N+](=O)[O-] ZINC000420994712 1042619855 /nfs/dbraw/zinc/61/98/55/1042619855.db2.gz NNYKQELRWQRAJF-OAHLLOKOSA-N 0 1 320.339 4.389 20 5 DIBDMN Cc1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000421384901 1042634787 /nfs/dbraw/zinc/63/47/87/1042634787.db2.gz 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CCC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1cc(C)ccn1 ZINC000866540966 1043221032 /nfs/dbraw/zinc/22/10/32/1043221032.db2.gz VRABNOOLRKBKBJ-MRXNPFEDSA-N 0 1 313.401 4.238 20 5 DIBDMN C[C@H](N[C@@H]1CCCc2c(O)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000192352574 1043271003 /nfs/dbraw/zinc/27/10/03/1043271003.db2.gz ULVWWKCBSAWBAI-YVEFUNNKSA-N 0 1 312.369 4.029 20 5 DIBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccsc1 ZINC000872021884 1043421866 /nfs/dbraw/zinc/42/18/66/1043421866.db2.gz FRKQMKXXNUHQKS-SNVBAGLBSA-N 0 1 308.428 4.229 20 5 DIBDMN CC(C)Oc1ccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000873183863 1043524870 /nfs/dbraw/zinc/52/48/70/1043524870.db2.gz NXTUZAYSIWTRRM-AWEZNQCLSA-N 0 1 314.385 4.233 20 5 DIBDMN CC(C)[C@H](c1ccccc1)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000522163395 1043554767 /nfs/dbraw/zinc/55/47/67/1043554767.db2.gz BATZDWZETCEXLE-MRXNPFEDSA-N 0 1 304.415 4.485 20 5 DIBDMN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1Cl ZINC000522269002 1043595370 /nfs/dbraw/zinc/59/53/70/1043595370.db2.gz 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/nfs/dbraw/zinc/16/88/45/340168845.db2.gz INFJMISDCNUELI-UHFFFAOYSA-N 0 1 304.415 4.457 20 5 DIBDMN Cc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000506257672 340190272 /nfs/dbraw/zinc/19/02/72/340190272.db2.gz BSMOVPDUMKEQQK-CYBMUJFWSA-N 0 1 302.349 4.235 20 5 DIBDMN Cc1cc(F)ccc1CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000506718296 340200071 /nfs/dbraw/zinc/20/00/71/340200071.db2.gz IGBCSXAFUJKBHQ-ZDUSSCGKSA-N 0 1 302.349 4.235 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN(Cc1cccc2cc[nH]c21)C1CC1 ZINC000507176467 340211401 /nfs/dbraw/zinc/21/14/01/340211401.db2.gz YBNGGWPEJGANIF-UHFFFAOYSA-N 0 1 321.380 4.241 20 5 DIBDMN CSc1ccccc1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000511174909 340323320 /nfs/dbraw/zinc/32/33/20/340323320.db2.gz PLGCNKQMAGFXHL-GFCCVEGCSA-N 0 1 302.399 4.168 20 5 DIBDMN CC[C@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000511505291 340329021 /nfs/dbraw/zinc/32/90/21/340329021.db2.gz CTLVTMVRVAEEAQ-AWEZNQCLSA-N 0 1 317.414 4.093 20 5 DIBDMN C[C@@H](c1ccco1)N(C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000511753128 340337146 /nfs/dbraw/zinc/33/71/46/340337146.db2.gz FIWHBZAWAYUFMI-ZBKLQPJUSA-N 0 1 312.369 4.427 20 5 DIBDMN Cc1c(CN[C@@H](C)c2csc(Cl)c2)cccc1[N+](=O)[O-] ZINC000235526355 340660510 /nfs/dbraw/zinc/66/05/10/340660510.db2.gz NCPRSYNYTLNMBX-JTQLQIEISA-N 0 1 310.806 4.469 20 5 DIBDMN O=[N+]([O-])c1ccc(CNCc2ccc(Cl)c(Cl)c2)cc1 ZINC000037668240 340785871 /nfs/dbraw/zinc/78/58/71/340785871.db2.gz KKIQGJZABZVGLM-UHFFFAOYSA-N 0 1 311.168 4.191 20 5 DIBDMN O=[N+]([O-])c1ccc(CNC2(c3ccccc3)CCCC2)c(F)c1 ZINC000538189402 340812572 /nfs/dbraw/zinc/81/25/72/340812572.db2.gz YXFOBNIFAWMKTA-UHFFFAOYSA-N 0 1 314.360 4.293 20 5 DIBDMN COc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000539090824 340872496 /nfs/dbraw/zinc/87/24/96/340872496.db2.gz RJAGUVUVYRGJNS-NSHDSACASA-N 0 1 320.776 4.108 20 5 DIBDMN CC(C)(NCc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000542469751 341008734 /nfs/dbraw/zinc/00/87/34/341008734.db2.gz BKTKBYRRLFKPAG-UHFFFAOYSA-N 0 1 310.806 4.335 20 5 DIBDMN Cc1ccc([C@@H](NCc2ccc([N+](=O)[O-])cc2)C2CCC2)o1 ZINC000544574136 341086547 /nfs/dbraw/zinc/08/65/47/341086547.db2.gz LNJMDRXXRGWZGM-KRWDZBQOSA-N 0 1 300.358 4.127 20 5 DIBDMN CCOc1ccccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000132219112 341118678 /nfs/dbraw/zinc/11/86/78/341118678.db2.gz RZVOIXABNOKTRB-AWEZNQCLSA-N 0 1 314.385 4.153 20 5 DIBDMN CCc1oc2ccccc2c1CNCc1ccc([N+](=O)[O-])cc1 ZINC000077220995 341221137 /nfs/dbraw/zinc/22/11/37/341221137.db2.gz IKWLIOPEMGUQTM-UHFFFAOYSA-N 0 1 310.353 4.193 20 5 DIBDMN COc1ccc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000078991696 341251612 /nfs/dbraw/zinc/25/16/12/341251612.db2.gz HIRULDBPKOKOBP-NWDGAFQWSA-N 0 1 318.348 4.154 20 5 DIBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H](c3ccccc3)C2)cs1 ZINC000552274269 341383071 /nfs/dbraw/zinc/38/30/71/341383071.db2.gz JMNAYHXJYGJGHW-OAHLLOKOSA-N 0 1 302.399 4.036 20 5 DIBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccccc1Cl ZINC000555626322 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DIBDMN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441490043 1043182232 /nfs/dbraw/zinc/18/22/32/1043182232.db2.gz VJVKKZFKJCHAHN-JMSVASOKSA-N 0 1 308.809 4.401 20 5 DIBDMN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1cc2cnccc2o1 ZINC000866622437 1043240194 /nfs/dbraw/zinc/24/01/94/1043240194.db2.gz MLBVFBZGMBXDDL-NHYWBVRUSA-N 0 1 323.352 4.074 20 5 DIBDMN C[C@@H](NCc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000053149501 1043285900 /nfs/dbraw/zinc/28/59/00/1043285900.db2.gz AXXYLFUWXHVQAM-SNVBAGLBSA-N 0 1 308.740 4.238 20 5 DIBDMN COc1ccccc1[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000268716617 1043324536 /nfs/dbraw/zinc/32/45/36/1043324536.db2.gz IUAQTHPDWHJIPJ-KBPBESRZSA-N 0 1 314.385 4.324 20 5 DIBDMN Cc1c([C@H](C)NCc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000268797852 1043331742 /nfs/dbraw/zinc/33/17/42/1043331742.db2.gz JBASMHWTGNSDRF-NSHDSACASA-N 0 1 306.312 4.032 20 5 DIBDMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872060892 1043443875 /nfs/dbraw/zinc/44/38/75/1043443875.db2.gz BCFJCVDLJXCROT-DTWKUNHWSA-N 0 1 308.275 4.116 20 5 DIBDMN CC(C)Oc1cccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000873183826 1043523402 /nfs/dbraw/zinc/52/34/02/1043523402.db2.gz LKAAKFNZSCRGJH-AWEZNQCLSA-N 0 1 314.385 4.233 20 5 DIBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000353917182 1043657731 /nfs/dbraw/zinc/65/77/31/1043657731.db2.gz SSOWJUHAACBYGF-MRXNPFEDSA-N 0 1 316.357 4.011 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCCc2cccnc21 ZINC000927060816 1043675835 /nfs/dbraw/zinc/67/58/35/1043675835.db2.gz BWWDIHFGWXGKFT-GUYCJALGSA-N 0 1 311.385 4.026 20 5 DIBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CCCc3cccnc31)CCC2 ZINC000927061786 1043678184 /nfs/dbraw/zinc/67/81/84/1043678184.db2.gz SPXDAFLFNUJMKZ-ZWKOTPCHSA-N 0 1 323.396 4.034 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000025360333 1043729063 /nfs/dbraw/zinc/72/90/63/1043729063.db2.gz WWZYSAVWYPMCMA-INIZCTEOSA-N 0 1 300.333 4.071 20 5 DIBDMN O=[N+]([O-])c1ccc(CN(Cc2ccc(CF)cc2)C2CC2)cc1 ZINC000777716272 1043781504 /nfs/dbraw/zinc/78/15/04/1043781504.db2.gz HHDFADYARSLGMT-UHFFFAOYSA-N 0 1 314.360 4.229 20 5 DIBDMN C[C@@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccccc1[N+](=O)[O-] ZINC000291304390 1044055093 /nfs/dbraw/zinc/05/50/93/1044055093.db2.gz SQKVMNRZGCZPHP-SJKOYZFVSA-N 0 1 312.369 4.029 20 5 DIBDMN Cc1cc(F)ccc1[C@H](C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000932565522 1044143763 /nfs/dbraw/zinc/14/37/63/1044143763.db2.gz OFWAZTYGFCXTJW-NSHDSACASA-N 0 1 306.312 4.032 20 5 DIBDMN Cc1ccoc1CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000293703429 1044314637 /nfs/dbraw/zinc/31/46/37/1044314637.db2.gz ONYFDOXGTHUAIA-HNNXBMFYSA-N 0 1 300.358 4.008 20 5 DIBDMN O=[N+]([O-])c1cccc(CNC2(c3cccc(Cl)c3)CC2)c1 ZINC000077467866 1044698607 /nfs/dbraw/zinc/69/86/07/1044698607.db2.gz IYOZANJUWGCATA-UHFFFAOYSA-N 0 1 302.761 4.027 20 5 DIBDMN CCc1ccc([C@H](NC[C@H]2C[C@@H]2C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000569887144 1044718457 /nfs/dbraw/zinc/71/84/57/1044718457.db2.gz WHTNUHNGAMQXNY-WPKBUWHJSA-N 0 1 314.385 4.085 20 5 DIBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC2(C1)CCCCC2 ZINC000525122800 1044989551 /nfs/dbraw/zinc/98/95/51/1044989551.db2.gz MOLDGAQNZXIMKQ-UHFFFAOYSA-N 0 1 308.809 4.404 20 5 DIBDMN Cc1cccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1F ZINC000449168784 1045353321 /nfs/dbraw/zinc/35/33/21/1045353321.db2.gz FHOCRDYUSXHRQD-CYBMUJFWSA-N 0 1 302.349 4.202 20 5 DIBDMN C[C@H](NCc1cnc(C2CCC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000449346813 1045378866 /nfs/dbraw/zinc/37/88/66/1045378866.db2.gz DJNUUULCUWLULD-NSHDSACASA-N 0 1 317.414 4.170 20 5 DIBDMN COc1cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000450688912 1045544846 /nfs/dbraw/zinc/54/48/46/1045544846.db2.gz RPMNEDHWJCCHNO-LLVKDONJSA-N 0 1 320.776 4.108 20 5 DIBDMN COc1cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000450688914 1045544972 /nfs/dbraw/zinc/54/49/72/1045544972.db2.gz RPMNEDHWJCCHNO-NSHDSACASA-N 0 1 320.776 4.108 20 5 DIBDMN COc1cc(C)ccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000119837995 1045582282 /nfs/dbraw/zinc/58/22/82/1045582282.db2.gz VJJRGWPWOUWPMC-AWEZNQCLSA-N 0 1 314.385 4.071 20 5 DIBDMN Cc1cc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])ccc1F ZINC000451162649 1045637978 /nfs/dbraw/zinc/63/79/78/1045637978.db2.gz QDDWJNKLDVQXQS-CHWSQXEVSA-N 0 1 302.349 4.454 20 5 DIBDMN Cc1c(CN2CC[C@H](C(F)(F)F)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000451422749 1045682143 /nfs/dbraw/zinc/68/21/43/1045682143.db2.gz UNCMOQYJWYNRJM-MFKMUULPSA-N 0 1 316.323 4.066 20 5 DIBDMN CCN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H](C)c1ccc(F)cc1 ZINC000801512181 1045725806 /nfs/dbraw/zinc/72/58/06/1045725806.db2.gz OUKMEFRKNYBHGP-GFCCVEGCSA-N 0 1 320.339 4.456 20 5 DIBDMN Cc1ccccc1CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000801514088 1045727912 /nfs/dbraw/zinc/72/79/12/1045727912.db2.gz NKCFYXQWNFPRAG-UHFFFAOYSA-N 0 1 314.360 4.207 20 5 DIBDMN C/C(=C/c1ccccc1)CN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801551188 1045738014 /nfs/dbraw/zinc/73/80/14/1045738014.db2.gz IXYIWILZMAHOGC-UVTDQMKNSA-N 0 1 314.360 4.269 20 5 DIBDMN COc1cc(C)c([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1C ZINC000753680413 1045789379 /nfs/dbraw/zinc/78/93/79/1045789379.db2.gz VNFBFGWHAVZMGO-CQSZACIVSA-N 0 1 314.385 4.071 20 5 DIBDMN CCNc1ccccc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000902301924 1045969843 /nfs/dbraw/zinc/96/98/43/1045969843.db2.gz MUXUYUJWLQQZJJ-AWEZNQCLSA-N 0 1 313.401 4.186 20 5 DIBDMN CC(C)Oc1cccc(CN(C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000195718884 1046133124 /nfs/dbraw/zinc/13/31/24/1046133124.db2.gz XAPCVOCSMWLPDA-UHFFFAOYSA-N 0 1 314.385 4.014 20 5 DIBDMN CC(C)(NCc1ccc(CF)cc1)c1ccccc1[N+](=O)[O-] ZINC000795232911 1046209482 /nfs/dbraw/zinc/20/94/82/1046209482.db2.gz APKQTNHCOPTLTE-UHFFFAOYSA-N 0 1 302.349 4.089 20 5 DIBDMN COc1ccsc1[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287341 1046224924 /nfs/dbraw/zinc/22/49/24/1046224924.db2.gz OIGMLTFZLBVHOG-GHMZBOCLSA-N 0 1 306.387 4.077 20 5 DIBDMN Cc1ccc(-c2ccc(CNCc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000237723050 1046318418 /nfs/dbraw/zinc/31/84/18/1046318418.db2.gz IFWXYVRMLLKWCK-UHFFFAOYSA-N 0 1 322.364 4.453 20 5 DIBDMN Cc1ccc(NCc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000611083744 1046505742 /nfs/dbraw/zinc/50/57/42/1046505742.db2.gz GDDKZMPITXFLOH-UHFFFAOYSA-N 0 1 316.748 4.045 20 5 DIBDMN Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000261441554 1046548198 /nfs/dbraw/zinc/54/81/98/1046548198.db2.gz BSQLTSBCHSAFQW-OAHLLOKOSA-N 0 1 302.399 4.302 20 5 DIBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1Cl ZINC000783621684 1046615398 /nfs/dbraw/zinc/61/53/98/1046615398.db2.gz PPLFWBLVGKUVOW-OAHLLOKOSA-N 0 1 320.751 4.164 20 5 DIBDMN O=[N+]([O-])c1cccc([C@@H](NC/C=C/C2CC2)c2ccccc2)c1 ZINC001117751637 1047241012 /nfs/dbraw/zinc/24/10/12/1047241012.db2.gz VAPSIULLRPKDGM-UEKDZROGSA-N 0 1 308.381 4.240 20 5 DIBDMN C[C@@H]1CN(Cc2c3ccccc3cc3ccccc32)CCC1=O ZINC001141722713 1047276600 /nfs/dbraw/zinc/27/66/00/1047276600.db2.gz FYPSWDNXIVLPOV-OAHLLOKOSA-N 0 1 303.405 4.404 20 5 DIBDMN CC(C)c1ccc(CN[C@@H](C)c2cncs2)cc1[N+](=O)[O-] ZINC000897934577 1047299468 /nfs/dbraw/zinc/29/94/68/1047299468.db2.gz LKHUIOOANOPBQZ-NSHDSACASA-N 0 1 305.403 4.026 20 5 DIBDMN C[C@@H](C[N@@H+](C)Cc1c2ccccc2cc2ccccc21)C(=O)[O-] ZINC000840999296 1047369729 /nfs/dbraw/zinc/36/97/29/1047369729.db2.gz SYVNKJXQRPFWJY-AWEZNQCLSA-N 0 1 307.393 4.146 20 5 DIBDMN CC(C)Oc1cccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000749839369 1047439871 /nfs/dbraw/zinc/43/98/71/1047439871.db2.gz AKIHPPONEJVHDA-CQSZACIVSA-N 0 1 314.385 4.233 20 5 DIBDMN CC[C@H](N[C@@H]1COc2ccc(C)cc21)c1cccc([N+](=O)[O-])c1 ZINC000537958043 1047647041 /nfs/dbraw/zinc/64/70/41/1047647041.db2.gz DWMGBRGBLFJFGB-DLBZAZTESA-N 0 1 312.369 4.078 20 5 DIBDMN CN(Cc1c(Cl)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000553993295 1047979707 /nfs/dbraw/zinc/97/97/07/1047979707.db2.gz UCGJJPQMCDNWCY-UHFFFAOYSA-N 0 1 318.751 4.258 20 5 DIBDMN Cc1ccccc1[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000776025124 1048102257 /nfs/dbraw/zinc/10/22/57/1048102257.db2.gz VSSFSKUKXHOXMM-SFHVURJKSA-N 0 1 314.360 4.283 20 5 DIBDMN Nc1ccc2cc3ccc(NC4=CCSCC4)cc3nc2c1 ZINC001201342702 1048245612 /nfs/dbraw/zinc/24/56/12/1048245612.db2.gz QBJGXALJLZBLEC-UHFFFAOYSA-N 0 1 307.422 4.403 20 5 DIBDMN Cc1ccc([C@H](C)N[C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000192844933 1048344775 /nfs/dbraw/zinc/34/47/75/1048344775.db2.gz OSPSGORPNGNPKG-OLZOCXBDSA-N 0 1 300.358 4.021 20 5 DIBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCC(F)(F)CC1 ZINC000600187101 1048385297 /nfs/dbraw/zinc/38/52/97/1048385297.db2.gz DJFQKJMIBMDITL-JLHYYAGUSA-N 0 1 310.344 4.119 20 5 DIBDMN Cc1ccc(CN[C@H](CC(C)C)c2ccccn2)cc1[N+](=O)[O-] ZINC000776251715 1048465029 /nfs/dbraw/zinc/46/50/29/1048465029.db2.gz VJSYOPKLXQWAGQ-QGZVFWFLSA-N 0 1 313.401 4.175 20 5 DIBDMN C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001176038002 1048541558 /nfs/dbraw/zinc/54/15/58/1048541558.db2.gz ZCEHPGKROYYPQZ-MLGOLLRUSA-N 0 1 302.399 4.239 20 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DIBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3CCCC[C@@H]3C2)c(Cl)c1 ZINC001560718578 1060578671 /nfs/dbraw/zinc/57/86/71/1060578671.db2.gz XWCDWWSLYAXPGW-CHWSQXEVSA-N 0 1 308.809 4.260 20 5 DIBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3CCCC[C@H]3C2)c(Cl)c1 ZINC001560718579 1060579458 /nfs/dbraw/zinc/57/94/58/1060579458.db2.gz XWCDWWSLYAXPGW-OLZOCXBDSA-N 0 1 308.809 4.260 20 5 DIBDMN Cc1cc2nc(Cc3cccc([N+](=O)[O-])c3)[nH]c2cc1Cl ZINC001250594443 1060928756 /nfs/dbraw/zinc/92/87/56/1060928756.db2.gz MBKKBUNUEDZRNJ-UHFFFAOYSA-N 0 1 301.733 4.024 20 5 DIBDMN CC(C)(C)c1ccc2nc(Cc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC001250616336 1060943963 /nfs/dbraw/zinc/94/39/63/1060943963.db2.gz ABZGNNWAELYGGU-UHFFFAOYSA-N 0 1 309.369 4.359 20 5 DIBDMN CCOc1ccc2nc(-c3c(Cl)cccc3[N+](=O)[O-])[nH]c2c1 ZINC001250656038 1060995521 /nfs/dbraw/zinc/99/55/21/1060995521.db2.gz BZYKKGJTHYSKLT-UHFFFAOYSA-N 0 1 317.732 4.190 20 5 DIBDMN Cc1cc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2cc1C(F)(F)F ZINC001250669234 1061000032 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CC(C)(C)n1c2ccccc2nc1-c1ccc([N+](=O)[O-])cc1O ZINC001251009696 1061181433 /nfs/dbraw/zinc/18/14/33/1061181433.db2.gz RKOFVUZQXFMMHZ-UHFFFAOYSA-N 0 1 311.341 4.072 20 5 DIBDMN O=[N+]([O-])c1c(-c2nc3ccc(Cl)cc3[nH]2)ccc2cccnc21 ZINC001251074519 1061221946 /nfs/dbraw/zinc/22/19/46/1061221946.db2.gz FIDXREHGXBZBQM-UHFFFAOYSA-N 0 1 324.727 4.340 20 5 DIBDMN Fc1ccc2nc(-c3ccc4ccc5cccnc5c4n3)[nH]c2c1 ZINC001251076937 1061223837 /nfs/dbraw/zinc/22/38/37/1061223837.db2.gz VHSBSADNEXSLOG-UHFFFAOYSA-N 0 1 314.323 4.465 20 5 DIBDMN CC(C)n1c2ccccc2nc1-c1n[nH]c2cc([N+](=O)[O-])ccc21 ZINC001251232741 1061279407 /nfs/dbraw/zinc/27/94/07/1061279407.db2.gz ZVDQTRFUWBHELD-UHFFFAOYSA-N 0 1 321.340 4.069 20 5 DIBDMN CSc1ccc2nc(-c3cc(F)c(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC001251359047 1061332831 /nfs/dbraw/zinc/33/28/31/1061332831.db2.gz YHILVPBFAYRPNG-UHFFFAOYSA-N 0 1 321.308 4.138 20 5 DIBDMN Cc1cc2nc(-c3cccc(Cl)c3[N+](=O)[O-])[nH]c2cc1F ZINC001251396690 1061339707 /nfs/dbraw/zinc/33/97/07/1061339707.db2.gz SVHLRGLUUMRTGR-UHFFFAOYSA-N 0 1 305.696 4.239 20 5 DIBDMN COc1cc([N+](=O)[O-])c(-c2nc3cccc(C)c3[nH]2)cc1Cl ZINC001251561767 1061403486 /nfs/dbraw/zinc/40/34/86/1061403486.db2.gz FKIFHGLQLKCXJC-UHFFFAOYSA-N 0 1 317.732 4.109 20 5 DIBDMN C[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001473784456 1061408518 /nfs/dbraw/zinc/40/85/18/1061408518.db2.gz XMUXXHMHLOXYHT-SCLBCKFNSA-N 0 1 314.360 4.317 20 5 DIBDMN Cc1cccc([N+](=O)[O-])c1-c1nc2ccc(Cl)c(C)c2[nH]1 ZINC001251615904 1061418546 /nfs/dbraw/zinc/41/85/46/1061418546.db2.gz BOBAYFROQAJSFQ-UHFFFAOYSA-N 0 1 301.733 4.408 20 5 DIBDMN Cc1oc(C(C)(C)C)cc1CNCc1ccc([N+](=O)[O-])cc1 ZINC001473948040 1061489885 /nfs/dbraw/zinc/48/98/85/1061489885.db2.gz HIEGQBPPCGSWBT-UHFFFAOYSA-N 0 1 302.374 4.084 20 5 DIBDMN Cc1[nH]c(-c2nc3cc(C)c(Cl)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC001251802321 1061494487 /nfs/dbraw/zinc/49/44/87/1061494487.db2.gz IXYZJABDHFEFKD-UHFFFAOYSA-N 0 1 304.737 4.045 20 5 DIBDMN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CCCC[C@@H]3F)o2)c1 ZINC001474228456 1061790898 /nfs/dbraw/zinc/79/08/98/1061790898.db2.gz CVLQYDVYSPYHKP-JKSUJKDBSA-N 0 1 318.348 4.225 20 5 DIBDMN C[C@H](CN(C)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001459421244 1062138572 /nfs/dbraw/zinc/13/85/72/1062138572.db2.gz BGOOSIANNGXDKL-CYBMUJFWSA-N 0 1 318.804 4.484 20 5 DIBDMN O=[N+]([O-])c1ccc(CN2CCC[C@]3(CC=CCC3)C2)c(F)c1 ZINC001459485282 1062162782 /nfs/dbraw/zinc/16/27/82/1062162782.db2.gz ZUAVXUWLVWNNME-QGZVFWFLSA-N 0 1 304.365 4.056 20 5 DIBDMN O=[N+]([O-])c1ccc(CN(Cc2ccc3cc[nH]c3c2)C2CC2)cc1 ZINC001459878328 1062466125 /nfs/dbraw/zinc/46/61/25/1062466125.db2.gz APEQBRSOFLBGDL-UHFFFAOYSA-N 0 1 321.380 4.241 20 5 DIBDMN C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001460076077 1062618646 /nfs/dbraw/zinc/61/86/46/1062618646.db2.gz SBTGCDUAGCCSGN-ACJLOTCBSA-N 0 1 314.360 4.317 20 5 DIBDMN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC001460076077 1062618658 /nfs/dbraw/zinc/61/86/58/1062618658.db2.gz SBTGCDUAGCCSGN-ACJLOTCBSA-N 0 1 314.360 4.317 20 5 DIBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC(C)(C)CC(C)(C)C1 ZINC001460374883 1062822818 /nfs/dbraw/zinc/82/28/18/1062822818.db2.gz OQZLQZDPWGSGHZ-UHFFFAOYSA-N 0 1 320.433 4.337 20 5 DIBDMN Cc1c(CN2CC(C)(C)[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC001461914170 1063794143 /nfs/dbraw/zinc/79/41/43/1063794143.db2.gz RCZDBSGTALTXDQ-GOSISDBHSA-N 0 1 310.397 4.486 20 5 DIBDMN Cc1c2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2ccc1Cl ZINC000587160469 1063995743 /nfs/dbraw/zinc/99/57/43/1063995743.db2.gz SYHMVVMWCHMKJM-UHFFFAOYSA-N 0 1 305.696 4.239 20 5 DIBDMN CC[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(C)c(F)c1 ZINC001307642766 1065536973 /nfs/dbraw/zinc/53/69/73/1065536973.db2.gz KABWVOQEIZHPLV-INIZCTEOSA-N 0 1 320.339 4.422 20 5 DIBDMN CC(C)(C)CN(Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC001307699951 1065569540 /nfs/dbraw/zinc/56/95/40/1065569540.db2.gz MGTPXICIEBJJFN-UHFFFAOYSA-N 0 1 314.385 4.353 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)Cc1cc(F)cc(F)c1 ZINC001307743453 1065600654 /nfs/dbraw/zinc/60/06/54/1065600654.db2.gz HRJDOSOFWOIXHL-GFCCVEGCSA-N 0 1 320.339 4.374 20 5 DIBDMN CCCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC001307804418 1065629388 /nfs/dbraw/zinc/62/93/88/1065629388.db2.gz OBARIKGDPOPJML-HOCLYGCPSA-N 0 1 320.433 4.481 20 5 DIBDMN C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001308070464 1065750695 /nfs/dbraw/zinc/75/06/95/1065750695.db2.gz NASXHEJIOAEALU-FZKQIMNGSA-N 0 1 314.360 4.317 20 5 DIBDMN O=[N+]([O-])c1ccc(CN2CCCCC[C@H]2c2ccco2)cc1 ZINC000078830319 185116951 /nfs/dbraw/zinc/11/69/51/185116951.db2.gz DFBVMKFLINMINP-INIZCTEOSA-N 0 1 300.358 4.305 20 5 DIBDMN O=[N+]([O-])c1cccc(CN2CCCCC[C@H]2c2ccco2)c1 ZINC000078830996 185117287 /nfs/dbraw/zinc/11/72/87/185117287.db2.gz ASDPKSQGBHWLKE-INIZCTEOSA-N 0 1 300.358 4.305 20 5 DIBDMN Cc1nc(C)c([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000040518024 183090338 /nfs/dbraw/zinc/09/03/38/183090338.db2.gz BVUVDXPPUNCDKZ-VHSXEESVSA-N 0 1 305.403 4.080 20 5 DIBDMN C[C@H](N[C@H]1CCCc2sccc21)c1ccccc1[N+](=O)[O-] ZINC000061330931 184168639 /nfs/dbraw/zinc/16/86/39/184168639.db2.gz HXXCINOMBWKCGM-FZMZJTMJSA-N 0 1 302.399 4.385 20 5 DIBDMN CC[C@H](N[C@H](CCOC)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000272534488 130038758 /nfs/dbraw/zinc/03/87/58/130038758.db2.gz JPMGTTKAVNMYRY-JKSUJKDBSA-N 0 1 318.373 4.006 20 5 DIBDMN CC(C)Oc1cccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000121873791 132160624 /nfs/dbraw/zinc/16/06/24/132160624.db2.gz JCWXVTYTXWPDIA-CQSZACIVSA-N 0 1 314.385 4.233 20 5 DIBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]2Cc2cccc(F)c2)cs1 ZINC000520042055 332030815 /nfs/dbraw/zinc/03/08/15/332030815.db2.gz FRHWDYVOJPPZKT-HNNXBMFYSA-N 0 1 320.389 4.003 20 5 DIBDMN C[C@H](NCc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000378866713 333057693 /nfs/dbraw/zinc/05/76/93/333057693.db2.gz CHBCOJSSIFTYSH-NSHDSACASA-N 0 1 324.302 4.464 20 5 DIBDMN CC(C)(NCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000314097680 333087276 /nfs/dbraw/zinc/08/72/76/333087276.db2.gz YHVMNXZGRUIAMZ-UHFFFAOYSA-N 0 1 304.777 4.273 20 5 DIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc(Cl)cc1 ZINC000430225426 334003190 /nfs/dbraw/zinc/00/31/90/334003190.db2.gz MBFJIISIJJZBNC-NSHDSACASA-N 0 1 320.776 4.108 20 5 DIBDMN CCc1nc(C)c([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000271651747 334024961 /nfs/dbraw/zinc/02/49/61/334024961.db2.gz BGAZKQXIHLRDDI-QWRGUYRKSA-N 0 1 319.430 4.334 20 5 DIBDMN CC(C)[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000103465480 336240985 /nfs/dbraw/zinc/24/09/85/336240985.db2.gz UQVFVBNJTLLMAG-QGZVFWFLSA-N 0 1 302.349 4.221 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(F)c(F)c1 ZINC000532465541 336249237 /nfs/dbraw/zinc/24/92/37/336249237.db2.gz TZZRQNWDEVXRHK-NSHDSACASA-N 0 1 306.312 4.032 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CSc2ccccc21 ZINC000532500425 336252213 /nfs/dbraw/zinc/25/22/13/336252213.db2.gz XKZHSJIWULQDGX-LRDDRELGSA-N 0 1 314.410 4.401 20 5 DIBDMN Cc1c([C@H](C)N[C@@H](C)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000532511777 336252918 /nfs/dbraw/zinc/25/29/18/336252918.db2.gz XFPIAGYRMBBYQO-KBPBESRZSA-N 0 1 316.405 4.092 20 5 DIBDMN Cc1cc(NCc2ccccc2[N+](=O)[O-])c2cc(F)ccc2n1 ZINC000301687036 336323554 /nfs/dbraw/zinc/32/35/54/336323554.db2.gz UYLGDQMZGOTBSA-UHFFFAOYSA-N 0 1 311.316 4.203 20 5 DIBDMN Cc1cc2[nH]ncc2cc1Nc1ccc2ncccc2c1[N+](=O)[O-] ZINC000302725994 336366792 /nfs/dbraw/zinc/36/67/92/336366792.db2.gz PCAISQOKWRGNLF-UHFFFAOYSA-N 0 1 319.324 4.071 20 5 DIBDMN C[C@H](NCc1ccccc1OC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000193079355 336395410 /nfs/dbraw/zinc/39/54/10/336395410.db2.gz FJGQAJGCODFYGQ-NSHDSACASA-N 0 1 322.311 4.047 20 5 DIBDMN CC1(C)CC[C@H](NCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000321412356 337262931 /nfs/dbraw/zinc/26/29/31/337262931.db2.gz JMQYQQNEPJMVFL-KRWDZBQOSA-N 0 1 310.397 4.497 20 5 DIBDMN C[C@H](N[C@H]1CCCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000285312802 337595183 /nfs/dbraw/zinc/59/51/83/337595183.db2.gz SPZTYPHWNJNMER-SGTLLEGYSA-N 0 1 312.369 4.029 20 5 DIBDMN C[C@H](NC1(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000537452772 337937123 /nfs/dbraw/zinc/93/71/23/337937123.db2.gz BKXCXNMHCBMJQT-LBPRGKRZSA-N 0 1 300.333 4.074 20 5 DIBDMN Cc1c(CN[C@@H](C)c2nccc3ccccc32)cccc1[N+](=O)[O-] ZINC000515492865 337990862 /nfs/dbraw/zinc/99/08/62/337990862.db2.gz AJUHMLCNLDLWOP-AWEZNQCLSA-N 0 1 321.380 4.302 20 5 DIBDMN CCN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)Cc1ccsc1 ZINC000426491890 338033571 /nfs/dbraw/zinc/03/35/71/338033571.db2.gz LDMCQLRTBFTIIQ-LBPRGKRZSA-N 0 1 322.405 4.249 20 5 DIBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1occc1C ZINC000430127818 338098085 /nfs/dbraw/zinc/09/80/85/338098085.db2.gz PUUXMIMQZXQMOF-LCYFTJDESA-N 0 1 300.358 4.032 20 5 DIBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1occc1C ZINC000430127820 338098234 /nfs/dbraw/zinc/09/82/34/338098234.db2.gz PUUXMIMQZXQMOF-UKTHLTGXSA-N 0 1 300.358 4.032 20 5 DIBDMN CCC[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000430220943 338101918 /nfs/dbraw/zinc/10/19/18/338101918.db2.gz QYHJGHAPLFMXMQ-QGZVFWFLSA-N 0 1 314.385 4.234 20 5 DIBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(Cl)cc1 ZINC000430225423 338102183 /nfs/dbraw/zinc/10/21/83/338102183.db2.gz MBFJIISIJJZBNC-LLVKDONJSA-N 0 1 320.776 4.108 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CCCc2c(F)cc(F)cc21 ZINC000449351462 338616415 /nfs/dbraw/zinc/61/64/15/338616415.db2.gz PQNLOVQNTZPUKY-INIZCTEOSA-N 0 1 318.323 4.040 20 5 DIBDMN C[C@@H]1CCCc2ccccc2[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000462543680 339081010 /nfs/dbraw/zinc/08/10/10/339081010.db2.gz USAGZGLEPJICNX-PXAZEXFGSA-N 0 1 316.426 4.460 20 5 DIBDMN C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000464723770 339149867 /nfs/dbraw/zinc/14/98/67/339149867.db2.gz CHOMIMMWVCNZPB-ACJLOTCBSA-N 0 1 314.360 4.317 20 5 DIBDMN Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cccc([N+](=O)[O-])c2)o1 ZINC000464831848 339155829 /nfs/dbraw/zinc/15/58/29/339155829.db2.gz KTOXWDJOLJLXIG-DYVFJYSZSA-N 0 1 314.385 4.469 20 5 DIBDMN Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2ccccc2[N+](=O)[O-])o1 ZINC000464831184 339155952 /nfs/dbraw/zinc/15/59/52/339155952.db2.gz JYTJFXXMTCYONA-GUYCJALGSA-N 0 1 314.385 4.469 20 5 DIBDMN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccccc2[N+](=O)[O-])o1 ZINC000464831182 339155959 /nfs/dbraw/zinc/15/59/59/339155959.db2.gz JYTJFXXMTCYONA-CXAGYDPISA-N 0 1 314.385 4.469 20 5 DIBDMN CCSCC[C@H](C)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464859851 339158524 /nfs/dbraw/zinc/15/85/24/339158524.db2.gz RAURZIACUJESQF-NSHDSACASA-N 0 1 316.854 4.212 20 5 DIBDMN O=[N+]([O-])c1ccc(CNC/C=C\c2ccc(F)cc2)c(Cl)c1 ZINC000466468851 339206355 /nfs/dbraw/zinc/20/63/55/339206355.db2.gz LQXBEZXJVLASDM-UPHRSURJSA-N 0 1 320.751 4.190 20 5 DIBDMN Cc1nc2ccc(CSCc3ccc([N+](=O)[O-])cc3)cc2[nH]1 ZINC000467199840 339227939 /nfs/dbraw/zinc/22/79/39/339227939.db2.gz DTACQZFVMHZSOV-UHFFFAOYSA-N 0 1 313.382 4.213 20 5 DIBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(F)cc1F ZINC000468641774 339267804 /nfs/dbraw/zinc/26/78/04/339267804.db2.gz FZYZTPRFAQGEPQ-GHXNOFRVSA-N 0 1 318.323 4.066 20 5 DIBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCc2ccsc2C1 ZINC000470178590 339312969 /nfs/dbraw/zinc/31/29/69/339312969.db2.gz LFTUCZNYFKKKGJ-UKTHLTGXSA-N 0 1 314.410 4.118 20 5 DIBDMN CC[C@H](NCc1scnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000487266836 339748008 /nfs/dbraw/zinc/74/80/08/339748008.db2.gz JPSDFJBDBQVBFN-AWEZNQCLSA-N 0 1 317.414 4.170 20 5 DIBDMN O=[N+]([O-])c1ccc(CN2CCC(c3ccccc3)CC2)c(F)c1 ZINC000491195371 339852783 /nfs/dbraw/zinc/85/27/83/339852783.db2.gz VMWULRQIMAJPSB-UHFFFAOYSA-N 0 1 314.360 4.114 20 5 DIBDMN CC(C)(NCc1ccc(F)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000492437542 339900671 /nfs/dbraw/zinc/90/06/71/339900671.db2.gz HSPMMNUAHABAMD-UHFFFAOYSA-N 0 1 322.767 4.412 20 5 DIBDMN Cc1ccc(CN2CCC[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000507174818 340211092 /nfs/dbraw/zinc/21/10/92/340211092.db2.gz SPYKLTXEXFIMCF-HNNXBMFYSA-N 0 1 302.399 4.302 20 5 DIBDMN C[C@@H](NC/C=C/c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000511991010 340344614 /nfs/dbraw/zinc/34/46/14/340344614.db2.gz QJQKWPSQEXQXEN-ZYOFXKKJSA-N 0 1 318.323 4.237 20 5 DIBDMN Cc1c([C@H](C)NC2(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000538555350 340833078 /nfs/dbraw/zinc/83/30/78/340833078.db2.gz ZWHDYIZSNBWEBN-ZDUSSCGKSA-N 0 1 314.360 4.382 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(Cl)s1 ZINC000540193689 340922710 /nfs/dbraw/zinc/92/27/10/340922710.db2.gz BYYCDSRMMSLSBN-SNVBAGLBSA-N 0 1 310.806 4.469 20 5 DIBDMN CCCCN[C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000542480457 341009253 /nfs/dbraw/zinc/00/92/53/341009253.db2.gz CTECYYFWQWOSJP-KRWDZBQOSA-N 0 1 302.374 4.229 20 5 DIBDMN Cc1c([C@H](C)NCc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000132436894 341123179 /nfs/dbraw/zinc/12/31/79/341123179.db2.gz MPFOUOSIIUTKEK-LBPRGKRZSA-N 0 1 304.777 4.407 20 5 DIBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000078971028 341250810 /nfs/dbraw/zinc/25/08/10/341250810.db2.gz LOQUJGSCETYEAR-WDEREUQCSA-N 0 1 306.312 4.285 20 5 DIBDMN Cc1ccc([C@H](C)N[C@@H](C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000079121707 341253953 /nfs/dbraw/zinc/25/39/53/341253953.db2.gz XSBYHJDIOMJLOT-STQMWFEESA-N 0 1 302.349 4.454 20 5 DIBDMN Cc1ccc([C@H](C)N[C@@H](C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000079721084 341264445 /nfs/dbraw/zinc/26/44/45/341264445.db2.gz ODRWDYVMPCJPPB-STQMWFEESA-N 0 1 302.349 4.454 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000245525481 341299793 /nfs/dbraw/zinc/29/97/93/341299793.db2.gz OHSRYBMGALQJLB-VXGBXAGGSA-N 0 1 316.323 4.239 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](C(F)(F)F)C1 ZINC000245525481 341299794 /nfs/dbraw/zinc/29/97/94/341299794.db2.gz OHSRYBMGALQJLB-VXGBXAGGSA-N 0 1 316.323 4.239 20 5 DIBDMN C[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1ccccc1 ZINC000549925092 341306874 /nfs/dbraw/zinc/30/68/74/341306874.db2.gz BWCGLYDZNLORNW-NSHDSACASA-N 0 1 324.302 4.464 20 5 DIBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(C)cc1C ZINC000178729915 341963113 /nfs/dbraw/zinc/96/31/13/341963113.db2.gz BHKQNRSCFQDDDM-AWEZNQCLSA-N 0 1 314.385 4.071 20 5 DIBDMN CCOc1cccc([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266473788 521414016 /nfs/dbraw/zinc/41/40/16/521414016.db2.gz OPKCHQKIXNTNKP-KGLIPLIRSA-N 0 1 314.385 4.405 20 5 DIBDMN CC[C@H](N[C@@H](COC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180845387 522709088 /nfs/dbraw/zinc/70/90/88/522709088.db2.gz KOVCMCMKOTWZRT-ROUUACIJSA-N 0 1 314.385 4.023 20 5 DIBDMN CC[C@H](N[C@@H]1CCc2c1cccc2O)c1cccc([N+](=O)[O-])c1 ZINC000130545606 522723700 /nfs/dbraw/zinc/72/37/00/522723700.db2.gz WSHWHRHOAOZAKD-DLBZAZTESA-N 0 1 312.369 4.029 20 5 DIBDMN C[C@H](N[C@@H]1CCc2c1cccc2F)c1ccccc1[N+](=O)[O-] ZINC000266442097 525582067 /nfs/dbraw/zinc/58/20/67/525582067.db2.gz GZUZGDLXDKARCR-MEDUHNTESA-N 0 1 300.333 4.072 20 5 DIBDMN C[C@@H](N[C@@H]1CCc2c1cccc2F)c1ccccc1[N+](=O)[O-] ZINC000266442095 525650787 /nfs/dbraw/zinc/65/07/87/525650787.db2.gz GZUZGDLXDKARCR-BDJLRTHQSA-N 0 1 300.333 4.072 20 5 DIBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1 ZINC000181392426 525662172 /nfs/dbraw/zinc/66/21/72/525662172.db2.gz ZQIBHAHXFQTKNS-GHMZBOCLSA-N 0 1 305.765 4.055 20 5 DIBDMN C[C@@H](N[C@H]1CCc2ccc(F)cc21)c1ccccc1[N+](=O)[O-] ZINC000266446056 525692776 /nfs/dbraw/zinc/69/27/76/525692776.db2.gz IHFARJVSXLHAIY-BZNIZROVSA-N 0 1 300.333 4.072 20 5 DIBDMN Cc1c([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C(C)C ZINC000191213915 525923938 /nfs/dbraw/zinc/92/39/38/525923938.db2.gz ZKBKAUOQVVEHCQ-OLZOCXBDSA-N 0 1 316.405 4.092 20 5 DIBDMN C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000610216127 1035752063 /nfs/dbraw/zinc/75/20/63/1035752063.db2.gz NQTSPDVPXAFRER-XJKSGUPXSA-N 0 1 316.426 4.282 20 5 DIBDMN Nc1ccc2cc3ccc(Nc4ncccc4F)cc3nc2c1 ZINC001209810399 1036263618 /nfs/dbraw/zinc/26/36/18/1036263618.db2.gz CJHWUCOFOHTWBR-UHFFFAOYSA-N 0 1 304.328 4.248 20 5 DIBDMN O=[N+]([O-])c1cc(CN[C@@H](CC2CC2)c2ccccc2)cs1 ZINC000610271390 1036407091 /nfs/dbraw/zinc/40/70/91/1036407091.db2.gz SJUBKBQXNHVFNF-HNNXBMFYSA-N 0 1 302.399 4.287 20 5 DIBDMN CC(C)n1cc(Nc2ccc3cc4ccc(N)cc4nc3c2)cn1 ZINC001210323264 1036614983 /nfs/dbraw/zinc/61/49/83/1036614983.db2.gz FDRCBPNGOFHCPM-UHFFFAOYSA-N 0 1 317.396 4.491 20 5 DIBDMN O=[N+]([O-])c1cc(Nc2ccc(-c3ccncc3)cc2)ccc1O ZINC001210400757 1036683291 /nfs/dbraw/zinc/68/32/91/1036683291.db2.gz LHXPZYPQLVFLSB-UHFFFAOYSA-N 0 1 307.309 4.106 20 5 DIBDMN Cc1c([C@@H](C)NCc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000177719810 1036960328 /nfs/dbraw/zinc/96/03/28/1036960328.db2.gz INHUTSBGJMOALB-LLVKDONJSA-N 0 1 306.312 4.032 20 5 DIBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cnc2ccsc2c1 ZINC000126546360 1037730229 /nfs/dbraw/zinc/73/02/29/1037730229.db2.gz UMXWXHIYWMKTAE-LLVKDONJSA-N 0 1 313.382 4.055 20 5 DIBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CCCc2sccc21 ZINC000093632908 1037880939 /nfs/dbraw/zinc/88/09/39/1037880939.db2.gz KTIUUYZHEBPSHO-ZDUSSCGKSA-N 0 1 322.817 4.477 20 5 DIBDMN CN(Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1C(F)(F)F ZINC000603443448 1038204714 /nfs/dbraw/zinc/20/47/14/1038204714.db2.gz LVDHLEGZDWDYCG-UHFFFAOYSA-N 0 1 324.302 4.246 20 5 DIBDMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610710616 1038268101 /nfs/dbraw/zinc/26/81/01/1038268101.db2.gz ANGVVCLQEPHDBE-ZDUSSCGKSA-N 0 1 317.389 4.137 20 5 DIBDMN Cc1c(CN(C)[C@H](C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000603836893 1038292105 /nfs/dbraw/zinc/29/21/05/1038292105.db2.gz BWKVRFVEECRGKL-CYBMUJFWSA-N 0 1 302.349 4.235 20 5 DIBDMN Cc1c(CN2CCC[C@H]2c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000603839957 1038305576 /nfs/dbraw/zinc/30/55/76/1038305576.db2.gz IRDAYFSFXUVFNH-SFHVURJKSA-N 0 1 314.360 4.379 20 5 DIBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1 ZINC000603868448 1038309961 /nfs/dbraw/zinc/30/99/61/1038309961.db2.gz MVBUNEKNDNJVJH-KRWDZBQOSA-N 0 1 300.333 4.071 20 5 DIBDMN CCC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccn1 ZINC000610810454 1038352137 /nfs/dbraw/zinc/35/21/37/1038352137.db2.gz LJBTYUPVSOROCS-YOEHRIQHSA-N 0 1 313.401 4.490 20 5 DIBDMN COCC[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000342288107 1038518422 /nfs/dbraw/zinc/51/84/22/1038518422.db2.gz YQDKIXZYIZPUHR-RHSMWYFYSA-N 0 1 314.385 4.023 20 5 DIBDMN Cc1cccnc1[C@H](NCc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000934293082 1038583954 /nfs/dbraw/zinc/58/39/54/1038583954.db2.gz UMXINXQEGROURP-KRWDZBQOSA-N 0 1 313.401 4.175 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CCCc2c3ccccc3[nH]c21 ZINC000288888777 1038701307 /nfs/dbraw/zinc/70/13/07/1038701307.db2.gz ASDPZTCEZUZHQO-KRWDZBQOSA-N 0 1 321.380 4.243 20 5 DIBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC=CCC3)o2)c(Cl)c1 ZINC000611521150 1038774038 /nfs/dbraw/zinc/77/40/38/1038774038.db2.gz HJARFZCLABIKKM-UHFFFAOYSA-N 0 1 318.760 4.270 20 5 DIBDMN COc1ccc(C)cc1[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000152770645 1039243353 /nfs/dbraw/zinc/24/33/53/1039243353.db2.gz XHYDXYGQPYIDGS-KBPBESRZSA-N 0 1 314.385 4.324 20 5 DIBDMN C[C@@H]1CCC[C@H](C)N1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089896903 1039283417 /nfs/dbraw/zinc/28/34/17/1039283417.db2.gz IEPPWZFXJXTHQJ-BETUJISGSA-N 0 1 315.373 4.013 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000052454731 1039386550 /nfs/dbraw/zinc/38/65/50/1039386550.db2.gz ZAMUBAISFBCUPB-INIZCTEOSA-N 0 1 300.333 4.071 20 5 DIBDMN CCc1ccc([C@H](NCC2CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541549140 1039704069 /nfs/dbraw/zinc/70/40/69/1039704069.db2.gz FOKVFBOAFSJPIU-GOSISDBHSA-N 0 1 314.385 4.229 20 5 DIBDMN Cc1ncc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000090217681 1039770644 /nfs/dbraw/zinc/77/06/44/1039770644.db2.gz TYHRJLYPKUIFJP-GHMZBOCLSA-N 0 1 305.403 4.080 20 5 DIBDMN Cc1nc2c(s1)[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])CCC2 ZINC000271818395 1039828934 /nfs/dbraw/zinc/82/89/34/1039828934.db2.gz RXGZXWHGSZLHEK-GWCFXTLKSA-N 0 1 317.414 4.088 20 5 DIBDMN CC(C)(NCc1cccc2cc[nH]c21)c1ccccc1[N+](=O)[O-] ZINC000492148942 1039924946 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CCOc1ccc2nc(-c3ccc(Cl)cc3[N+](=O)[O-])[nH]c2c1 ZINC001250879932 1061107292 /nfs/dbraw/zinc/10/72/92/1061107292.db2.gz ZKQUSYOCDNGBAQ-UHFFFAOYSA-N 0 1 317.732 4.190 20 5 DIBDMN CCOc1ccc2nc(-c3cc(Cl)ccc3[N+](=O)[O-])[nH]c2c1 ZINC001250887069 1061109942 /nfs/dbraw/zinc/10/99/42/1061109942.db2.gz FPGHYCQBXYTBPQ-UHFFFAOYSA-N 0 1 317.732 4.190 20 5 DIBDMN COc1cccc(-c2nc3ccc(C(C)C)cc3[nH]2)c1[N+](=O)[O-] ZINC001250882138 1061109964 /nfs/dbraw/zinc/10/99/64/1061109964.db2.gz LJLQLUULLCWDKH-UHFFFAOYSA-N 0 1 311.341 4.270 20 5 DIBDMN O=[N+]([O-])c1cc(-c2nc3ccc(-c4ccncc4)cc3[nH]2)cs1 ZINC001250928245 1061129426 /nfs/dbraw/zinc/12/94/26/1061129426.db2.gz FAXYBMZISLKYHN-UHFFFAOYSA-N 0 1 322.349 4.262 20 5 DIBDMN O=[N+]([O-])c1cccc(-c2nc3ccc(-c4ccncc4)cc3[nH]2)c1 ZINC001250951852 1061143122 /nfs/dbraw/zinc/14/31/22/1061143122.db2.gz ZDGKYWZYCMRCEL-UHFFFAOYSA-N 0 1 316.320 4.200 20 5 DIBDMN Cc1ccc2nc(-c3ccc([N+](=O)[O-])c(Cl)c3)[nH]c2c1C ZINC001250961616 1061151548 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COc1ccc([N+](=O)[O-])cc1-c1nc2ccc(C(F)F)cc2[nH]1 ZINC001251473507 1061371760 /nfs/dbraw/zinc/37/17/60/1061371760.db2.gz FZBODXSJSYZMKF-UHFFFAOYSA-N 0 1 319.267 4.084 20 5 DIBDMN Cc1cccc(-c2nc3ccc(C(F)F)cc3[nH]2)c1[N+](=O)[O-] ZINC001251574270 1061406040 /nfs/dbraw/zinc/40/60/40/1061406040.db2.gz GXMFSVODKAJASL-UHFFFAOYSA-N 0 1 303.268 4.384 20 5 DIBDMN O=[N+]([O-])c1ccc2c(-c3nc4ccc(Cl)cc4[nH]3)c[nH]c2c1 ZINC001251574253 1061406245 /nfs/dbraw/zinc/40/62/45/1061406245.db2.gz GOUBDUQURQLAEV-UHFFFAOYSA-N 0 1 312.716 4.273 20 5 DIBDMN Cc1ccc2nc(-c3c[nH]c4cc([N+](=O)[O-])ccc34)[nH]c2c1C ZINC001251574273 1061406285 /nfs/dbraw/zinc/40/62/85/1061406285.db2.gz HGVBMKIGFVNCOA-UHFFFAOYSA-N 0 1 306.325 4.236 20 5 DIBDMN Cc1ccc([N+](=O)[O-])c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 ZINC001251575219 1061408060 /nfs/dbraw/zinc/40/80/60/1061408060.db2.gz UDNHZAZAXWQRKA-UHFFFAOYSA-N 0 1 305.696 4.239 20 5 DIBDMN Cc1ccc([N+](=O)[O-])c(-c2nc3ccc(C(F)F)cc3[nH]2)c1 ZINC001251574779 1061408082 /nfs/dbraw/zinc/40/80/82/1061408082.db2.gz OLEZJPQLXUDGOG-UHFFFAOYSA-N 0 1 303.268 4.384 20 5 DIBDMN Cc1cccc([N+](=O)[O-])c1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC001251616211 1061418617 /nfs/dbraw/zinc/41/86/17/1061418617.db2.gz JHRJSVOYZOESDB-UHFFFAOYSA-N 0 1 305.696 4.239 20 5 DIBDMN Cc1cccc([N+](=O)[O-])c1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC001251616409 1061419877 /nfs/dbraw/zinc/41/98/77/1061419877.db2.gz MKBZQSSXMVITKK-UHFFFAOYSA-N 0 1 321.258 4.465 20 5 DIBDMN CCc1ccc2c(c1)CCN([C@@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC001473902704 1061452782 /nfs/dbraw/zinc/45/27/82/1061452782.db2.gz VTCBZXBFSXXCIQ-AWEZNQCLSA-N 0 1 310.397 4.277 20 5 DIBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]2CCCC[C@H]2C1 ZINC001251894754 1061528426 /nfs/dbraw/zinc/52/84/26/1061528426.db2.gz CVHUIOZIZQNSPV-OLZOCXBDSA-N 0 1 308.809 4.260 20 5 DIBDMN CC[C@@H](NCc1cnc(Cl)c(C)c1)c1cccc([N+](=O)[O-])c1 ZINC001474071998 1061619427 /nfs/dbraw/zinc/61/94/27/1061619427.db2.gz JDEVLLALWMMOHF-OAHLLOKOSA-N 0 1 319.792 4.193 20 5 DIBDMN O=[N+]([O-])c1ccc(O)cc1CS[C@H]1CCc2ccccc2C1 ZINC001459166694 1062033257 /nfs/dbraw/zinc/03/32/57/1062033257.db2.gz OCWNFQRQFKFCGX-INIZCTEOSA-N 0 1 315.394 4.091 20 5 DIBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)Cc1ccc(Cl)cc1 ZINC001474412773 1062080366 /nfs/dbraw/zinc/08/03/66/1062080366.db2.gz GOIUSQZLQHBOBA-UHFFFAOYSA-N 0 1 318.804 4.497 20 5 DIBDMN C[C@@H](CN(C)Cc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC001459421247 1062139223 /nfs/dbraw/zinc/13/92/23/1062139223.db2.gz BGOOSIANNGXDKL-ZDUSSCGKSA-N 0 1 318.804 4.484 20 5 DIBDMN CC[C@@H](C)CN(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001459490554 1062164240 /nfs/dbraw/zinc/16/42/40/1062164240.db2.gz QHXKFVDMNIGZNT-SECBINFHSA-N 0 1 305.205 4.380 20 5 DIBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1Cl ZINC001254562334 1062179722 /nfs/dbraw/zinc/17/97/22/1062179722.db2.gz KGKNDSUVVBINFU-CYBMUJFWSA-N 0 1 318.804 4.311 20 5 DIBDMN CC(C)CC[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001459718673 1062333904 /nfs/dbraw/zinc/33/39/04/1062333904.db2.gz DOSDJOMNFJBYPX-OAHLLOKOSA-N 0 1 306.406 4.091 20 5 DIBDMN CC(C)(C)c1ccc(CNCc2ccc([N+](=O)[O-])cc2F)s1 ZINC001474698161 1062427339 /nfs/dbraw/zinc/42/73/39/1062427339.db2.gz NAHRVTBNRRBAKR-UHFFFAOYSA-N 0 1 322.405 4.383 20 5 DIBDMN O=[N+]([O-])c1cc(F)c(CN2CCCC3(CCCC3)CC2)c(F)c1 ZINC001460404138 1062835386 /nfs/dbraw/zinc/83/53/86/1062835386.db2.gz BXCOMIGONPQUEI-UHFFFAOYSA-N 0 1 324.371 4.419 20 5 DIBDMN C[C@@H](SCc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001472981752 1063342559 /nfs/dbraw/zinc/34/25/59/1063342559.db2.gz DGMRCQWMBZRSIW-SNVBAGLBSA-N 0 1 307.346 4.434 20 5 DIBDMN C/C(=C/c1ccccc1)CNCc1cc([N+](=O)[O-])ccc1Cl ZINC001461339473 1063428020 /nfs/dbraw/zinc/42/80/20/1063428020.db2.gz GPQDKDMCMWTDLI-LCYFTJDESA-N 0 1 316.788 4.441 20 5 DIBDMN Cc1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c1F ZINC001461956042 1063835139 /nfs/dbraw/zinc/83/51/39/1063835139.db2.gz OHEGMZGLENCVCA-UHFFFAOYSA-N 0 1 316.376 4.453 20 5 DIBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)c1ccc(C)cc1 ZINC001307416617 1065378643 /nfs/dbraw/zinc/37/86/43/1065378643.db2.gz ZMKYTMWTEYSQEG-AWEZNQCLSA-N 0 1 314.385 4.105 20 5 DIBDMN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001307479709 1065425772 /nfs/dbraw/zinc/42/57/72/1065425772.db2.gz QFBZOOPDXZYBPA-GDLVEWKHSA-N 0 1 310.344 4.026 20 5 DIBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC(C2CCCC2)CC1 ZINC001307505156 1065448994 /nfs/dbraw/zinc/44/89/94/1065448994.db2.gz BSZRPCGIIYFUAH-UHFFFAOYSA-N 0 1 306.381 4.136 20 5 DIBDMN C[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC12CCC2 ZINC001307612845 1065517649 /nfs/dbraw/zinc/51/76/49/1065517649.db2.gz FYGZJVRRZKZPMC-LBPRGKRZSA-N 0 1 308.809 4.260 20 5 DIBDMN Cc1ccc2ncc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC001307623460 1065524698 /nfs/dbraw/zinc/52/46/98/1065524698.db2.gz XAGMWFADWYRDMK-AWEZNQCLSA-N 0 1 321.380 4.302 20 5 DIBDMN Cc1ccc2ncc(CN[C@H](C)c3cccc([N+](=O)[O-])c3)cc2c1 ZINC001307623463 1065525005 /nfs/dbraw/zinc/52/50/05/1065525005.db2.gz XAGMWFADWYRDMK-CQSZACIVSA-N 0 1 321.380 4.302 20 5 DIBDMN CC[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(C)c(F)c1 ZINC001307640015 1065533979 /nfs/dbraw/zinc/53/39/79/1065533979.db2.gz UTUJRQNNRYPYFS-INIZCTEOSA-N 0 1 320.339 4.422 20 5 DIBDMN CC[C@H]1Cc2ccccc2CN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001307661160 1065549256 /nfs/dbraw/zinc/54/92/56/1065549256.db2.gz ZNPKCIWAVBOIKG-SFHVURJKSA-N 0 1 310.397 4.240 20 5 DIBDMN C[C@H]1C[C@@H](c2ccccc2)N(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001307751803 1065604972 /nfs/dbraw/zinc/60/49/72/1065604972.db2.gz VRPZUXJCLWCFQM-UGSOOPFHSA-N 0 1 314.360 4.317 20 5 DIBDMN C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001308070466 1065750153 /nfs/dbraw/zinc/75/01/53/1065750153.db2.gz NASXHEJIOAEALU-UGSOOPFHSA-N 0 1 314.360 4.317 20 5 DIBDMN COc1ccc(C)cc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001308290887 1065886139 /nfs/dbraw/zinc/88/61/39/1065886139.db2.gz MLFIEHDIWKHBFF-AWEZNQCLSA-N 0 1 314.385 4.071 20 5 DIBDMN CC(C)[C@H]1N(Cc2ccc([N+](=O)[O-])cc2F)CC12CCCC2 ZINC001308815748 1066290292 /nfs/dbraw/zinc/29/02/92/1066290292.db2.gz KPRLWXAQFNCALK-MRXNPFEDSA-N 0 1 306.381 4.135 20 5 DIBDMN C[C@H](N[C@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000081181388 192233748 /nfs/dbraw/zinc/23/37/48/192233748.db2.gz XUTOFMVDKLSAAF-GTNSWQLSSA-N 0 1 300.333 4.072 20 5 DIBDMN C[C@@H](NCc1ccc(C(F)F)cc1)c1ccccc1[N+](=O)[O-] ZINC000274129625 130209591 /nfs/dbraw/zinc/20/95/91/130209591.db2.gz HZRMTAIDHLYXAK-LLVKDONJSA-N 0 1 306.312 4.383 20 5 DIBDMN CC(C)c1nc([C@H](C)NCCc2cccc([N+](=O)[O-])c2)cs1 ZINC000274395160 130231174 /nfs/dbraw/zinc/23/11/74/130231174.db2.gz CYQFPGWBUCYVET-LBPRGKRZSA-N 0 1 319.430 4.068 20 5 DIBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000297217825 132004591 /nfs/dbraw/zinc/00/45/91/132004591.db2.gz HDDUORXRLZTIHS-WDEREUQCSA-N 0 1 305.765 4.055 20 5 DIBDMN COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000120220988 132143416 /nfs/dbraw/zinc/14/34/16/132143416.db2.gz IXAKIODQOVIDQU-UONOGXRCSA-N 0 1 314.385 4.324 20 5 DIBDMN CCCCOc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000079694965 331682830 /nfs/dbraw/zinc/68/28/30/331682830.db2.gz USAHSDNREOPQBZ-UHFFFAOYSA-N 0 1 314.385 4.064 20 5 DIBDMN CC(C)(NCc1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000556429898 331703462 /nfs/dbraw/zinc/70/34/62/331703462.db2.gz MMWYKSDZQHYJOL-UHFFFAOYSA-N 0 1 322.767 4.412 20 5 DIBDMN CCCOc1cccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000557900861 331825288 /nfs/dbraw/zinc/82/52/88/331825288.db2.gz SFGMRDNSVHRVTK-AWEZNQCLSA-N 0 1 314.385 4.234 20 5 DIBDMN CC[C@H](N[C@H](C)c1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000090918442 331917801 /nfs/dbraw/zinc/91/78/01/331917801.db2.gz UDCRALCZCASCIO-DYVFJYSZSA-N 0 1 314.385 4.405 20 5 DIBDMN Cc1ccc(CN2CCC(C)=C(c3ccco3)C2)cc1[N+](=O)[O-] ZINC000569454048 332089513 /nfs/dbraw/zinc/08/95/13/332089513.db2.gz WMUWXKJQBVTGLZ-UHFFFAOYSA-N 0 1 312.369 4.176 20 5 DIBDMN C[C@@H](NCc1ccccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000320818216 335148135 /nfs/dbraw/zinc/14/81/35/335148135.db2.gz 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336209282 /nfs/dbraw/zinc/20/92/82/336209282.db2.gz CICIPBVINZQAFB-OAHLLOKOSA-N 0 1 324.384 4.020 20 5 DIBDMN CC(C)[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000103465477 336241034 /nfs/dbraw/zinc/24/10/34/336241034.db2.gz UQVFVBNJTLLMAG-KRWDZBQOSA-N 0 1 302.349 4.221 20 5 DIBDMN Cc1c([C@@H](C)N[C@H](C)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000532511780 336252974 /nfs/dbraw/zinc/25/29/74/336252974.db2.gz XFPIAGYRMBBYQO-ZIAGYGMSSA-N 0 1 316.405 4.092 20 5 DIBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCCc3occc31)CCC2 ZINC000192657615 336258303 /nfs/dbraw/zinc/25/83/03/336258303.db2.gz FZONDMWAWFHIMY-IAGOWNOFSA-N 0 1 312.369 4.232 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](C(F)(F)F)C1 ZINC000182593056 336274218 /nfs/dbraw/zinc/27/42/18/336274218.db2.gz OHSRYBMGALQJLB-NEPJUHHUSA-N 0 1 316.323 4.239 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](C(F)(F)F)C1 ZINC000182593079 336274230 /nfs/dbraw/zinc/27/42/30/336274230.db2.gz OHSRYBMGALQJLB-RYUDHWBXSA-N 0 1 316.323 4.239 20 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CC[C@@H](N[C@@H]1CCCc2occc21)c1cccc([N+](=O)[O-])c1 ZINC000193024773 1039619710 /nfs/dbraw/zinc/61/97/10/1039619710.db2.gz QTWQUDRZTOCDDQ-HZPDHXFCSA-N 0 1 300.358 4.306 20 5 DIBDMN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1N(C)C ZINC000271847953 1039846801 /nfs/dbraw/zinc/84/68/01/1039846801.db2.gz WZKMBEPVKPJWOZ-KBPBESRZSA-N 0 1 313.401 4.073 20 5 DIBDMN CCOc1cc(CN(CC)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000492355878 1039954377 /nfs/dbraw/zinc/95/43/77/1039954377.db2.gz IIGMHUMCVVIDQG-UHFFFAOYSA-N 0 1 314.385 4.016 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCc2occc21 ZINC000152255370 1040006746 /nfs/dbraw/zinc/00/67/46/1040006746.db2.gz ZAIWAYGRLPKGQP-WBMJQRKESA-N 0 1 300.358 4.224 20 5 DIBDMN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000612582080 1040644874 /nfs/dbraw/zinc/64/48/74/1040644874.db2.gz SYDXDJDQESXQLU-AAEUAGOBSA-N 0 1 316.323 4.066 20 5 DIBDMN O=[N+]([O-])c1cccc([C@H](NCc2ccccc2)c2ccccc2)c1 ZINC000179975714 1040661574 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O=[N+]([O-])c1ccccc1CN[C@@H]1CCc2cc(Cl)ccc21 ZINC000112017760 1041993362 /nfs/dbraw/zinc/99/33/62/1041993362.db2.gz KBDFFEVHYBFZQM-OAHLLOKOSA-N 0 1 302.761 4.025 20 5 DIBDMN O=[N+]([O-])c1ccc(CNC2(c3ccc(Cl)cc3)CC2)cc1 ZINC000069878783 1042149770 /nfs/dbraw/zinc/14/97/70/1042149770.db2.gz RBSIVRRQJCUBCY-UHFFFAOYSA-N 0 1 302.761 4.027 20 5 DIBDMN C[C@H](N[C@@H]1CSCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000314642512 1042164388 /nfs/dbraw/zinc/16/43/88/1042164388.db2.gz CEABAVAMWNTASR-YVEFUNNKSA-N 0 1 314.410 4.234 20 5 DIBDMN Cc1ccc2nc(S/C=C\c3ccc([N+](=O)[O-])o3)[nH]c2c1 ZINC000205676816 1042665388 /nfs/dbraw/zinc/66/53/88/1042665388.db2.gz WRTDVHQEMWPLJT-SREVYHEPSA-N 0 1 301.327 4.136 20 5 DIBDMN C[C@H](N[C@@H]1CCSc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000266430274 1042952168 /nfs/dbraw/zinc/95/21/68/1042952168.db2.gz DBZCWPGYCHYNST-SWLSCSKDSA-N 0 1 314.410 4.483 20 5 DIBDMN COc1ccc([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000266454851 1042957809 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C[C@@H](N[C@@H](C)c1ccccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000179404615 1043145297 /nfs/dbraw/zinc/14/52/97/1043145297.db2.gz KFXDZZZETWMBJN-KGLIPLIRSA-N 0 1 313.401 4.073 20 5 DIBDMN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000441490045 1043182404 /nfs/dbraw/zinc/18/24/04/1043182404.db2.gz VJVKKZFKJCHAHN-TYNCELHUSA-N 0 1 308.809 4.401 20 5 DIBDMN CC(C)c1nc([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000184722909 1043188825 /nfs/dbraw/zinc/18/88/25/1043188825.db2.gz NXMXQVHEFVVOJW-LBPRGKRZSA-N 0 1 319.430 4.068 20 5 DIBDMN C[C@@H](N[C@H]1CCCc2c(O)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000192352588 1043270600 /nfs/dbraw/zinc/27/06/00/1043270600.db2.gz ULVWWKCBSAWBAI-PXAZEXFGSA-N 0 1 312.369 4.029 20 5 DIBDMN COc1ccccc1[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000268716619 1043325182 /nfs/dbraw/zinc/32/51/82/1043325182.db2.gz IUAQTHPDWHJIPJ-UONOGXRCSA-N 0 1 314.385 4.324 20 5 DIBDMN CC[C@H](CC(F)(F)F)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872060894 1043443943 /nfs/dbraw/zinc/44/39/43/1043443943.db2.gz BCFJCVDLJXCROT-RKDXNWHRSA-N 0 1 308.275 4.116 20 5 DIBDMN CC1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC(F)(F)C1 ZINC000873197757 1043526432 /nfs/dbraw/zinc/52/64/32/1043526432.db2.gz AVCNXFYJWNIFDQ-UHFFFAOYSA-N 0 1 322.311 4.132 20 5 DIBDMN CCOc1cc(C)ccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000151717313 1044033220 /nfs/dbraw/zinc/03/32/20/1044033220.db2.gz MIXWLNCJWMBHLL-CQSZACIVSA-N 0 1 314.385 4.153 20 5 DIBDMN CCN(Cc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522535555 1044039412 /nfs/dbraw/zinc/03/94/12/1044039412.db2.gz RITYLMYAIOBZPN-UHFFFAOYSA-N 0 1 304.777 4.270 20 5 DIBDMN C[C@@H](N[C@H]1CCCc2ccc(O)cc21)c1ccccc1[N+](=O)[O-] ZINC000291304383 1044054150 /nfs/dbraw/zinc/05/41/50/1044054150.db2.gz SQKVMNRZGCZPHP-PXAZEXFGSA-N 0 1 312.369 4.029 20 5 DIBDMN CC(C)c1ccc(CN[C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000358989710 1044117923 /nfs/dbraw/zinc/11/79/23/1044117923.db2.gz BFUJRRPKAVLNOA-LBPRGKRZSA-N 0 1 317.364 4.103 20 5 DIBDMN 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KBNMXFRVKLXIQD-LJQANCHMSA-N 0 1 308.381 4.031 20 5 DIBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(C)c(F)c1 ZINC001307642767 1065536855 /nfs/dbraw/zinc/53/68/55/1065536855.db2.gz KABWVOQEIZHPLV-MRXNPFEDSA-N 0 1 320.339 4.422 20 5 DIBDMN CCC1(CC)CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC001307697073 1065567445 /nfs/dbraw/zinc/56/74/45/1065567445.db2.gz VRYVWDAMWITWSN-UHFFFAOYSA-N 0 1 324.396 4.145 20 5 DIBDMN C[C@H]1C[C@H](c2ccccc2)N(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001307751802 1065604521 /nfs/dbraw/zinc/60/45/21/1065604521.db2.gz VRPZUXJCLWCFQM-SCLBCKFNSA-N 0 1 314.360 4.317 20 5 DIBDMN Cc1ccc(CN2Cc3ccccc3C3(CCC3)C2)cc1[N+](=O)[O-] ZINC001307760442 1065609521 /nfs/dbraw/zinc/60/95/21/1065609521.db2.gz GSXZSDKKLUJZIK-UHFFFAOYSA-N 0 1 322.408 4.341 20 5 DIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)C[C@H]1C ZINC001307861731 1065658446 /nfs/dbraw/zinc/65/84/46/1065658446.db2.gz ZKAZIFDZYZHSLX-ZIAGYGMSSA-N 0 1 306.406 4.002 20 5 DIBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H](C)[C@H]1c1ccccc1 ZINC001308608971 1066115734 /nfs/dbraw/zinc/11/57/34/1066115734.db2.gz MZUQYOZFPJFSHC-KUHUBIRLSA-N 0 1 310.397 4.405 20 5 DIBDMN CCC(C)(C)N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001308736342 1066210611 /nfs/dbraw/zinc/21/06/11/1066210611.db2.gz YWYOBLAQZPFSPS-UHFFFAOYSA-N 0 1 321.240 4.039 20 5 DIBDMN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(OC(F)F)c1 ZINC000078970038 185137356 /nfs/dbraw/zinc/13/73/56/185137356.db2.gz VNDQYQZCTNGNQR-NSHDSACASA-N 0 1 322.311 4.047 20 5 DIBDMN COc1ccc([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000078991736 185142181 /nfs/dbraw/zinc/14/21/81/185142181.db2.gz GGIKNENCVOJRTC-RYUDHWBXSA-N 0 1 318.348 4.154 20 5 DIBDMN C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1cccc([N+](=O)[O-])c1 ZINC000081181387 192234368 /nfs/dbraw/zinc/23/43/68/192234368.db2.gz XUTOFMVDKLSAAF-PIGZYNQJSA-N 0 1 300.333 4.072 20 5 DIBDMN Cc1cc([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)c(C)s1 ZINC000094773529 193396137 /nfs/dbraw/zinc/39/61/37/193396137.db2.gz DXQKFOJENUKHIK-SNVBAGLBSA-N 0 1 308.378 4.263 20 5 DIBDMN Cc1nc(C)c([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000040518025 183090159 /nfs/dbraw/zinc/09/01/59/183090159.db2.gz BVUVDXPPUNCDKZ-UWVGGRQHSA-N 0 1 305.403 4.080 20 5 DIBDMN C[C@@H](N[C@H]1CCCc2sccc21)c1ccccc1[N+](=O)[O-] ZINC000061330933 184168866 /nfs/dbraw/zinc/16/88/66/184168866.db2.gz HXXCINOMBWKCGM-RISCZKNCSA-N 0 1 302.399 4.385 20 5 DIBDMN C[C@H](N[C@@H]1CCCc2sccc21)c1ccccc1[N+](=O)[O-] ZINC000061330928 184169021 /nfs/dbraw/zinc/16/90/21/184169021.db2.gz HXXCINOMBWKCGM-SMDDNHRTSA-N 0 1 302.399 4.385 20 5 DIBDMN COc1ccsc1[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297338780 132011505 /nfs/dbraw/zinc/01/15/05/132011505.db2.gz OIGMLTFZLBVHOG-QWRGUYRKSA-N 0 1 306.387 4.077 20 5 DIBDMN COc1ccc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000297433203 132014749 /nfs/dbraw/zinc/01/47/49/132014749.db2.gz VMKHKMXLHFCAIE-NWDGAFQWSA-N 0 1 318.348 4.154 20 5 DIBDMN Cc1c([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000297479393 132018400 /nfs/dbraw/zinc/01/84/00/132018400.db2.gz ZDGLLBPXGLPRCL-STQMWFEESA-N 0 1 316.405 4.092 20 5 DIBDMN C[C@H](N[C@@H]1CSc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000091959860 332097169 /nfs/dbraw/zinc/09/71/69/332097169.db2.gz JWZHNOTWRKGOIN-XHDPSFHLSA-N 0 1 300.383 4.092 20 5 DIBDMN CCc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000562338179 332580804 /nfs/dbraw/zinc/58/08/04/332580804.db2.gz LRSBZTYUDIOUPV-UHFFFAOYSA-N 0 1 304.415 4.244 20 5 DIBDMN Cc1c(CN[C@H](C)c2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000048334961 333587345 /nfs/dbraw/zinc/58/73/45/333587345.db2.gz YKXZRJOXMSCMSO-GFCCVEGCSA-N 0 1 304.777 4.407 20 5 DIBDMN CCc1nc(C)c([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000271651745 334024981 /nfs/dbraw/zinc/02/49/81/334024981.db2.gz BGAZKQXIHLRDDI-GHMZBOCLSA-N 0 1 319.430 4.334 20 5 DIBDMN C[C@H](NCc1ccc(Cl)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000043389836 336255132 /nfs/dbraw/zinc/25/51/32/336255132.db2.gz SNIOWEGDOCBGEL-JTQLQIEISA-N 0 1 308.740 4.238 20 5 DIBDMN Cc1cc(NCc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2n1 ZINC000301665550 336321913 /nfs/dbraw/zinc/32/19/13/336321913.db2.gz LMLLMPHVTGYSCG-UHFFFAOYSA-N 0 1 311.316 4.203 20 5 DIBDMN Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000193733753 337079243 /nfs/dbraw/zinc/07/92/43/337079243.db2.gz LTKSCLPMBCPWMK-LBPRGKRZSA-N 0 1 304.777 4.407 20 5 DIBDMN C[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1cccc([N+](=O)[O-])c1 ZINC000285312792 337595171 /nfs/dbraw/zinc/59/51/71/337595171.db2.gz SPZTYPHWNJNMER-KPZWWZAWSA-N 0 1 312.369 4.029 20 5 DIBDMN COc1cc(C)ccc1[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000320587985 337598916 /nfs/dbraw/zinc/59/89/16/337598916.db2.gz BTJZQKWOAWKYHM-KBPBESRZSA-N 0 1 314.385 4.324 20 5 DIBDMN COc1cc(C)ccc1[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000320587991 337598956 /nfs/dbraw/zinc/59/89/56/337598956.db2.gz BTJZQKWOAWKYHM-ZIAGYGMSSA-N 0 1 314.385 4.324 20 5 DIBDMN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1c(C)noc1C ZINC000090886334 337886630 /nfs/dbraw/zinc/88/66/30/337886630.db2.gz NUSJJVMRABYVHI-XHDPSFHLSA-N 0 1 317.389 4.310 20 5 DIBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000122274513 337913604 /nfs/dbraw/zinc/91/36/04/337913604.db2.gz CZLHISPDKWJWNH-NSHDSACASA-N 0 1 324.302 4.464 20 5 DIBDMN Cc1cc(F)ccc1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000516232700 338008410 /nfs/dbraw/zinc/00/84/10/338008410.db2.gz SMOXSBARFISFKN-UHFFFAOYSA-N 0 1 302.349 4.067 20 5 DIBDMN CCC[C@H](NCc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000430220942 338101928 /nfs/dbraw/zinc/10/19/28/338101928.db2.gz QYHJGHAPLFMXMQ-KRWDZBQOSA-N 0 1 314.385 4.234 20 5 DIBDMN CC1(C)C[C@H](NCc2cccc(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000433156297 338183442 /nfs/dbraw/zinc/18/34/42/338183442.db2.gz ITZDTQYJYZYWIM-KRWDZBQOSA-N 0 1 314.360 4.246 20 5 DIBDMN CCC[C@@]1(C)CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000435024645 338229947 /nfs/dbraw/zinc/22/99/47/338229947.db2.gz FGFDGHMDIUTXFT-KRWDZBQOSA-N 0 1 317.389 4.138 20 5 DIBDMN COc1ccc(CN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc1C ZINC000436198399 338261690 /nfs/dbraw/zinc/26/16/90/338261690.db2.gz OIQPNKVYIRUOBK-AWEZNQCLSA-N 0 1 314.385 4.105 20 5 DIBDMN Cc1ccc2cc(CN[C@H](C)c3ccccc3[N+](=O)[O-])ccc2n1 ZINC000437798342 338322107 /nfs/dbraw/zinc/32/21/07/338322107.db2.gz KEXVTDQEXWDMNA-CQSZACIVSA-N 0 1 321.380 4.302 20 5 DIBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(F)c(F)c1)CCC2 ZINC000447539557 338555345 /nfs/dbraw/zinc/55/53/45/338555345.db2.gz HDKOXDHDLOLVDL-KRWDZBQOSA-N 0 1 318.323 4.040 20 5 DIBDMN C[C@@H]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])c2sccc21 ZINC000453154243 338800469 /nfs/dbraw/zinc/80/04/69/338800469.db2.gz ROYMNERTOXECNV-BXUZGUMPSA-N 0 1 302.399 4.385 20 5 DIBDMN C[C@H]1C[C@@H](c2ccccc2F)N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000464723773 339149974 /nfs/dbraw/zinc/14/99/74/339149974.db2.gz CHOMIMMWVCNZPB-UGSOOPFHSA-N 0 1 314.360 4.317 20 5 DIBDMN Cc1ccc2nc(CNc3ccc(Cl)cc3[N+](=O)[O-])[nH]c2c1 ZINC000467012787 339224582 /nfs/dbraw/zinc/22/45/82/339224582.db2.gz FWEWNDUBYAJEQB-UHFFFAOYSA-N 0 1 316.748 4.045 20 5 DIBDMN CSc1ccc(F)cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000467859085 339247956 /nfs/dbraw/zinc/24/79/56/339247956.db2.gz ONYYGUAPQQJGNK-LLVKDONJSA-N 0 1 320.389 4.307 20 5 DIBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1ccc(C)o1 ZINC000470173894 339312848 /nfs/dbraw/zinc/31/28/48/339312848.db2.gz OGFKDUWNGWRZFO-UKTHLTGXSA-N 0 1 300.358 4.032 20 5 DIBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1ccoc1C ZINC000470176848 339312962 /nfs/dbraw/zinc/31/29/62/339312962.db2.gz NOLKEVLRSUFYEK-UKTHLTGXSA-N 0 1 300.358 4.032 20 5 DIBDMN CSc1ccc(F)cc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000483849729 339676353 /nfs/dbraw/zinc/67/63/53/339676353.db2.gz ALGVGDDBBKXSKB-LLVKDONJSA-N 0 1 320.389 4.307 20 5 DIBDMN COc1cc([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1F ZINC000498483278 339720792 /nfs/dbraw/zinc/72/07/92/339720792.db2.gz CVZMCGQLXQCSRK-RYUDHWBXSA-N 0 1 318.348 4.154 20 5 DIBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccccc1Cl ZINC000486726811 339732646 /nfs/dbraw/zinc/73/26/46/339732646.db2.gz KUCVTSMYGSVWEI-GFCCVEGCSA-N 0 1 304.777 4.407 20 5 DIBDMN O=[N+]([O-])c1cccc([C@@H](NCCC(F)(F)F)c2ccccc2)c1 ZINC000493279338 339921867 /nfs/dbraw/zinc/92/18/67/339921867.db2.gz XUPYDXXVYSRETH-HNNXBMFYSA-N 0 1 324.302 4.226 20 5 DIBDMN Cc1ccc([C@@H](C)NCc2cnc3ccccc3c2)cc1[N+](=O)[O-] ZINC000499604862 340040563 /nfs/dbraw/zinc/04/05/63/340040563.db2.gz GWAVHZMWEJNZET-CQSZACIVSA-N 0 1 321.380 4.302 20 5 DIBDMN CC[C@H]1C[C@]1(NCc1ccccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000502504792 340106355 /nfs/dbraw/zinc/10/63/55/340106355.db2.gz BGJXHKUFQIKJGS-QFBILLFUSA-N 0 1 310.397 4.318 20 5 DIBDMN C[C@@H]1C[C@]1(NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000503406557 340127522 /nfs/dbraw/zinc/12/75/22/340127522.db2.gz MGQWXPJFHDGELI-SJKOYZFVSA-N 0 1 316.788 4.273 20 5 DIBDMN CC1CCC(N(Cc2c(F)cccc2[N+](=O)[O-])C2CC2)CC1 ZINC000505790502 340178082 /nfs/dbraw/zinc/17/80/82/340178082.db2.gz NQGXMTVDGBSMCK-UHFFFAOYSA-N 0 1 306.381 4.277 20 5 DIBDMN C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000506185653 340187952 /nfs/dbraw/zinc/18/79/52/340187952.db2.gz ASBXAYJRFQVMTN-LLVKDONJSA-N 0 1 320.776 4.147 20 5 DIBDMN C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000506185653 340187953 /nfs/dbraw/zinc/18/79/53/340187953.db2.gz ASBXAYJRFQVMTN-LLVKDONJSA-N 0 1 320.776 4.147 20 5 DIBDMN C[C@H](c1cccc(Cl)c1)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000506185653 340187954 /nfs/dbraw/zinc/18/79/54/340187954.db2.gz ASBXAYJRFQVMTN-LLVKDONJSA-N 0 1 320.776 4.147 20 5 DIBDMN C[C@H](c1cc(F)ccc1F)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000511108257 340320940 /nfs/dbraw/zinc/32/09/40/340320940.db2.gz PUZNAXXVBYZIRB-GFCCVEGCSA-N 0 1 320.339 4.109 20 5 DIBDMN CC[C@@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000511505292 340328933 /nfs/dbraw/zinc/32/89/33/340328933.db2.gz CTLVTMVRVAEEAQ-CQSZACIVSA-N 0 1 317.414 4.093 20 5 DIBDMN Cc1ccc([C@@H](C)NCc2cc(Cl)cs2)cc1[N+](=O)[O-] ZINC000193139621 340572949 /nfs/dbraw/zinc/57/29/49/340572949.db2.gz FGRTVHIECHZDMN-SNVBAGLBSA-N 0 1 310.806 4.469 20 5 DIBDMN COc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000539090806 340872626 /nfs/dbraw/zinc/87/26/26/340872626.db2.gz RJAGUVUVYRGJNS-LLVKDONJSA-N 0 1 320.776 4.108 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(Cl)s1 ZINC000540193687 340922712 /nfs/dbraw/zinc/92/27/12/340922712.db2.gz BYYCDSRMMSLSBN-JTQLQIEISA-N 0 1 310.806 4.469 20 5 DIBDMN Cc1c([C@@H](C)NCc2ccccc2Cl)cccc1[N+](=O)[O-] ZINC000132436672 341123175 /nfs/dbraw/zinc/12/31/75/341123175.db2.gz MPFOUOSIIUTKEK-GFCCVEGCSA-N 0 1 304.777 4.407 20 5 DIBDMN O=[N+]([O-])c1ccccc1CCN[C@@H](c1ccco1)c1ccccc1 ZINC000548066722 341245420 /nfs/dbraw/zinc/24/54/20/341245420.db2.gz IGMBARWDWRJQGE-LJQANCHMSA-N 0 1 322.364 4.110 20 5 DIBDMN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000079121709 341254021 /nfs/dbraw/zinc/25/40/21/341254021.db2.gz XSBYHJDIOMJLOT-CHWSQXEVSA-N 0 1 302.349 4.454 20 5 DIBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC(F)(F)F)CC1 ZINC000551406722 341340802 /nfs/dbraw/zinc/34/08/02/341340802.db2.gz PGQOHOUNKKFFMD-LLVKDONJSA-N 0 1 316.323 4.320 20 5 DIBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CC(F)(F)F)CC1 ZINC000551707841 341349677 /nfs/dbraw/zinc/34/96/77/341349677.db2.gz XBCUOIFGBNAKLM-NSHDSACASA-N 0 1 316.323 4.320 20 5 DIBDMN COc1cccc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266487779 341587567 /nfs/dbraw/zinc/58/75/67/341587567.db2.gz RSMLMNBYPKEJMC-CHWSQXEVSA-N 0 1 300.358 4.015 20 5 DIBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc(Cl)s1 ZINC000567519997 341612069 /nfs/dbraw/zinc/61/20/69/341612069.db2.gz WSRBRMRGACCCRZ-GFCCVEGCSA-N 0 1 308.790 4.087 20 5 DIBDMN Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CO2 ZINC000577347293 341905284 /nfs/dbraw/zinc/90/52/84/341905284.db2.gz OYNFMMMECLGLME-QZTJIDSGSA-N 0 1 324.380 4.004 20 5 DIBDMN C[C@@H](NCc1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178651928 341960921 /nfs/dbraw/zinc/96/09/21/341960921.db2.gz VFMQREAAZIQVAD-LLVKDONJSA-N 0 1 322.311 4.047 20 5 DIBDMN CCOc1cccc([C@@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000266473793 521413499 /nfs/dbraw/zinc/41/34/99/521413499.db2.gz OPKCHQKIXNTNKP-ZIAGYGMSSA-N 0 1 314.385 4.405 20 5 DIBDMN CCOc1ccccc1[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000267471594 521573327 /nfs/dbraw/zinc/57/33/27/521573327.db2.gz YAISNHBOIQELRC-ZIAGYGMSSA-N 0 1 314.385 4.405 20 5 DIBDMN C[C@@H](N[C@@H]1CCc2ccc(F)cc21)c1ccccc1[N+](=O)[O-] ZINC000266446053 525651915 /nfs/dbraw/zinc/65/19/15/525651915.db2.gz IHFARJVSXLHAIY-BDJLRTHQSA-N 0 1 300.333 4.072 20 5 DIBDMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000181235909 525943308 /nfs/dbraw/zinc/94/33/08/525943308.db2.gz DVJNJIKITKVGIS-NWDGAFQWSA-N 0 1 319.792 4.363 20 5 DIBDMN Cc1cc(Br)cc(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210400271 1036680850 /nfs/dbraw/zinc/68/08/50/1036680850.db2.gz FNTSLHDCUNTEGZ-UHFFFAOYSA-N 0 1 323.146 4.115 20 5 DIBDMN CCOc1cc(C)ccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119227706 1037218601 /nfs/dbraw/zinc/21/86/01/1037218601.db2.gz KUZVIMLRIOGACT-CQSZACIVSA-N 0 1 314.385 4.153 20 5 DIBDMN Cc1c(CN2CCC(CC(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000581598716 1037767606 /nfs/dbraw/zinc/76/76/06/1037767606.db2.gz HUEBWXFSKUCKKW-UHFFFAOYSA-N 0 1 316.323 4.068 20 5 DIBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CCCCCC3)cs2)c1 ZINC000157367124 1037839138 /nfs/dbraw/zinc/83/91/38/1037839138.db2.gz IMEMSHXLQHQREP-UHFFFAOYSA-N 0 1 317.414 4.094 20 5 DIBDMN CC[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000093632881 1037882077 /nfs/dbraw/zinc/88/20/77/1037882077.db2.gz JYWUETQUYBFIIZ-OAHLLOKOSA-N 0 1 304.777 4.489 20 5 DIBDMN C[C@H](N[C@H]1CCCc2c(O)cccc21)c1ccccc1[N+](=O)[O-] ZINC000276803538 1038224208 /nfs/dbraw/zinc/22/42/08/1038224208.db2.gz MLQBFYZWGPCWSX-LRDDRELGSA-N 0 1 312.369 4.029 20 5 DIBDMN Cc1cc(N2CCCC(F)(F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000599133847 1038246534 /nfs/dbraw/zinc/24/65/34/1038246534.db2.gz LZCIRLPSEOAYSX-UHFFFAOYSA-N 0 1 321.327 4.077 20 5 DIBDMN Cc1c(CN(Cc2cccc(F)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000603859224 1038305089 /nfs/dbraw/zinc/30/50/89/1038305089.db2.gz WYHFQRDBXAWEOX-UHFFFAOYSA-N 0 1 314.360 4.207 20 5 DIBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2cccc(F)c2)cc1 ZINC000603868449 1038308779 /nfs/dbraw/zinc/30/87/79/1038308779.db2.gz MVBUNEKNDNJVJH-QGZVFWFLSA-N 0 1 300.333 4.071 20 5 DIBDMN C[C@@H](c1cc(F)ccc1F)N(C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603894761 1038314960 /nfs/dbraw/zinc/31/49/60/1038314960.db2.gz GNEGWBJCLJIQBG-LBPRGKRZSA-N 0 1 320.339 4.109 20 5 DIBDMN C[C@@H](N[C@H]1CSCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000610805792 1038350359 /nfs/dbraw/zinc/35/03/59/1038350359.db2.gz SXNQQLGDVCYGEA-PXAZEXFGSA-N 0 1 314.410 4.234 20 5 DIBDMN Cc1ccc2c(c1)[C@H](NCc1csc([N+](=O)[O-])c1)CCC2 ZINC000342313724 1038528402 /nfs/dbraw/zinc/52/84/02/1038528402.db2.gz NENQNGZVBWRTHH-OAHLLOKOSA-N 0 1 302.399 4.132 20 5 DIBDMN CCc1nc(C)c([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000178684464 1038975670 /nfs/dbraw/zinc/97/56/70/1038975670.db2.gz NYWAZVGPGKTYDG-QWRGUYRKSA-N 0 1 319.430 4.334 20 5 DIBDMN CCc1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000178730731 1039053965 /nfs/dbraw/zinc/05/39/65/1039053965.db2.gz RIJBGHWFNIIYAO-NSHDSACASA-N 0 1 320.414 4.078 20 5 DIBDMN CC[C@@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883440 1039280191 /nfs/dbraw/zinc/28/01/91/1039280191.db2.gz FYRYRSKEEZWPDG-OAHLLOKOSA-N 0 1 315.373 4.014 20 5 DIBDMN Cc1[nH]c2ccc(CNCc3csc([N+](=O)[O-])c3)cc2c1C ZINC000340438472 1039410452 /nfs/dbraw/zinc/41/04/52/1039410452.db2.gz WBLUAGRUFJQMPT-UHFFFAOYSA-N 0 1 315.398 4.044 20 5 DIBDMN CCN(Cc1ccccc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000052705593 1039524426 /nfs/dbraw/zinc/52/44/26/1039524426.db2.gz KOCZFQZFAOUAPR-AWEZNQCLSA-N 0 1 314.385 4.187 20 5 DIBDMN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)COC2 ZINC000271846090 1039848656 /nfs/dbraw/zinc/84/86/56/1039848656.db2.gz WUAXUATZIQLEKY-OLZOCXBDSA-N 0 1 312.369 4.037 20 5 DIBDMN CCOc1cc(CN(CC)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000492376420 1039957511 /nfs/dbraw/zinc/95/75/11/1039957511.db2.gz MPOYZJHOWBNXKA-UHFFFAOYSA-N 0 1 320.414 4.077 20 5 DIBDMN Cc1cc(N2CC[C@H](c3ccco3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611925263 1040065737 /nfs/dbraw/zinc/06/57/37/1040065737.db2.gz TZFRCMCKVYTMNY-ZDUSSCGKSA-N 0 1 323.352 4.038 20 5 DIBDMN CC(C)CCC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001167688500 1040562736 /nfs/dbraw/zinc/56/27/36/1040562736.db2.gz DSTVCZPXFPRICO-UHFFFAOYSA-N 0 1 308.397 4.382 20 5 DIBDMN COc1ccc([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000414113927 1040882318 /nfs/dbraw/zinc/88/23/18/1040882318.db2.gz ZCWOEOBSUKQNHT-KBPBESRZSA-N 0 1 314.385 4.324 20 5 DIBDMN CSCCCN(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000810001824 1041295536 /nfs/dbraw/zinc/29/55/36/1041295536.db2.gz MQXCASMCAFAHEG-UHFFFAOYSA-N 0 1 323.245 4.087 20 5 DIBDMN O=[N+]([O-])c1ccc(CNc2cc3c(cn2)CCCC3)cc1Cl ZINC000812345666 1041618887 /nfs/dbraw/zinc/61/88/87/1041618887.db2.gz IUYYHZAENFQMHR-UHFFFAOYSA-N 0 1 317.776 4.134 20 5 DIBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000420942925 1042618745 /nfs/dbraw/zinc/61/87/45/1042618745.db2.gz HRYYCXTWPYRKHI-NWDGAFQWSA-N 0 1 316.323 4.320 20 5 DIBDMN O=[N+]([O-])c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cs1 ZINC000513867849 1042760104 /nfs/dbraw/zinc/76/01/04/1042760104.db2.gz MJQYBBLOYZXYKU-UHFFFAOYSA-N 0 1 313.260 4.218 20 5 DIBDMN Cc1c(CN(C)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000515540241 1042825788 /nfs/dbraw/zinc/82/57/88/1042825788.db2.gz QTAMHJVGROFKIN-UHFFFAOYSA-N 0 1 304.777 4.189 20 5 DIBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000519160609 1042936021 /nfs/dbraw/zinc/93/60/21/1042936021.db2.gz QWJSADWUIBSUQS-CYBMUJFWSA-N 0 1 318.417 4.145 20 5 DIBDMN CC[C@@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])c1cccs1 ZINC000184404516 1042997468 /nfs/dbraw/zinc/99/74/68/1042997468.db2.gz GMXVHTSFRLVLJN-GFCCVEGCSA-N 0 1 324.377 4.045 20 5 DIBDMN O=[N+]([O-])c1cccc(CNCc2cc(Cl)cc(Cl)c2)c1 ZINC000052926218 1043022921 /nfs/dbraw/zinc/02/29/21/1043022921.db2.gz LQJKVJAFTQXGFT-UHFFFAOYSA-N 0 1 311.168 4.191 20 5 DIBDMN C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000441327073 1043037810 /nfs/dbraw/zinc/03/78/10/1043037810.db2.gz AEJSFQXQAOICAO-ACJLOTCBSA-N 0 1 314.360 4.317 20 5 DIBDMN COc1ccc(C)cc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000323221851 1043409842 /nfs/dbraw/zinc/40/98/42/1043409842.db2.gz ZKWCVYKHZMCUTC-AWEZNQCLSA-N 0 1 314.385 4.071 20 5 DIBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccsc1 ZINC000872021882 1043421624 /nfs/dbraw/zinc/42/16/24/1043421624.db2.gz FRKQMKXXNUHQKS-JTQLQIEISA-N 0 1 308.428 4.229 20 5 DIBDMN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1cccc(C)c1 ZINC000353501373 1043611639 /nfs/dbraw/zinc/61/16/39/1043611639.db2.gz HXCFOKFQQVMLED-KRWDZBQOSA-N 0 1 314.385 4.153 20 5 DIBDMN CCC[C@@H](NCc1ncc(C)cc1C)c1cccc([N+](=O)[O-])c1 ZINC000926954047 1043660812 /nfs/dbraw/zinc/66/08/12/1043660812.db2.gz HGBRDPMNCRTAJK-QGZVFWFLSA-N 0 1 313.401 4.238 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCc2cccnc21 ZINC000927059164 1043675015 /nfs/dbraw/zinc/67/50/15/1043675015.db2.gz BWWDIHFGWXGKFT-SUMWQHHRSA-N 0 1 311.385 4.026 20 5 DIBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCc2cccnc21 ZINC000927059161 1043676005 /nfs/dbraw/zinc/67/60/05/1043676005.db2.gz BWWDIHFGWXGKFT-CXAGYDPISA-N 0 1 311.385 4.026 20 5 DIBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000025360318 1043728650 /nfs/dbraw/zinc/72/86/50/1043728650.db2.gz JHAIKDQJIZFPOW-KRWDZBQOSA-N 0 1 300.333 4.071 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000025360337 1043729003 /nfs/dbraw/zinc/72/90/03/1043729003.db2.gz WWZYSAVWYPMCMA-MRXNPFEDSA-N 0 1 300.333 4.071 20 5 DIBDMN Cc1cc(F)ccc1[C@@H](C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000932556619 1044141404 /nfs/dbraw/zinc/14/14/04/1044141404.db2.gz OFWAZTYGFCXTJW-LLVKDONJSA-N 0 1 306.312 4.032 20 5 DIBDMN CSc1ccccc1CN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000475280337 1044339845 /nfs/dbraw/zinc/33/98/45/1044339845.db2.gz QCJORXDAFKRIOZ-UHFFFAOYSA-N 0 1 316.426 4.257 20 5 DIBDMN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(F)cc1F ZINC000565218928 1044420476 /nfs/dbraw/zinc/42/04/76/1044420476.db2.gz QLRPFSCRVLOJJZ-QFYYESIMSA-N 0 1 318.323 4.211 20 5 DIBDMN CCC(CC)[C@H](NCc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886106780 1044616726 /nfs/dbraw/zinc/61/67/26/1044616726.db2.gz CUGRPUVBLFNBOC-KRWDZBQOSA-N 0 1 313.401 4.257 20 5 DIBDMN CSc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000089513320 1044738722 /nfs/dbraw/zinc/73/87/22/1044738722.db2.gz NVHGFAHJVCNFPD-LLVKDONJSA-N 0 1 320.389 4.307 20 5 DIBDMN Cc1c([C@@H](C)N[C@H]2CCCc3occc32)cccc1[N+](=O)[O-] ZINC000152255722 1045078214 /nfs/dbraw/zinc/07/82/14/1045078214.db2.gz GDDWHSUJSQPCSX-DOMZBBRYSA-N 0 1 300.358 4.224 20 5 DIBDMN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCCc3ccc([N+](=O)[O-])cc31)CO2 ZINC000577347292 1045119064 /nfs/dbraw/zinc/11/90/64/1045119064.db2.gz OYNFMMMECLGLME-MSOLQXFVSA-N 0 1 324.380 4.004 20 5 DIBDMN Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3ccc([N+](=O)[O-])cc31)CO2 ZINC000577347295 1045119644 /nfs/dbraw/zinc/11/96/44/1045119644.db2.gz OYNFMMMECLGLME-ZWKOTPCHSA-N 0 1 324.380 4.004 20 5 DIBDMN CCCOc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000449348295 1045378900 /nfs/dbraw/zinc/37/89/00/1045378900.db2.gz LQOPPLRCPSKOLO-AWEZNQCLSA-N 0 1 314.385 4.234 20 5 DIBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000449351463 1045380246 /nfs/dbraw/zinc/38/02/46/1045380246.db2.gz PQNLOVQNTZPUKY-MRXNPFEDSA-N 0 1 318.323 4.040 20 5 DIBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000449460896 1045395341 /nfs/dbraw/zinc/39/53/41/1045395341.db2.gz OFDHISKPZXRSPH-DGCLKSJQSA-N 0 1 316.323 4.066 20 5 DIBDMN Cc1cc(C)c(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000449732923 1045431109 /nfs/dbraw/zinc/43/11/09/1045431109.db2.gz FJMWICYAJAYHFQ-UHFFFAOYSA-N 0 1 313.401 4.020 20 5 DIBDMN C[C@H]1C[C@H](c2ccccc2)N(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000796620089 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