smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC001525774228 1120354870 /nfs/dbraw/zinc/35/48/70/1120354870.db2.gz YDYBDURYRRNGED-HNNXBMFYSA-N 1 2 342.355 2.125 20 5 EEBDLO Cc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)nn1 ZINC001525774228 1120354875 /nfs/dbraw/zinc/35/48/75/1120354875.db2.gz YDYBDURYRRNGED-HNNXBMFYSA-N 1 2 342.355 2.125 20 5 EEBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000032477460 202225493 /nfs/dbraw/zinc/22/54/93/202225493.db2.gz MXKWXHXHFJBMFX-TXEJJXNPSA-N 1 2 330.344 2.030 20 5 EEBDLO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000077761569 201182859 /nfs/dbraw/zinc/18/28/59/201182859.db2.gz MIKHSJDDWMZUCD-ZDUSSCGKSA-N 1 2 342.417 2.003 20 5 EEBDLO CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000077761569 201182861 /nfs/dbraw/zinc/18/28/61/201182861.db2.gz MIKHSJDDWMZUCD-ZDUSSCGKSA-N 1 2 342.417 2.003 20 5 EEBDLO Cc1[nH+]c2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc2n1[C@H](C)CO ZINC000456700186 244332229 /nfs/dbraw/zinc/33/22/29/244332229.db2.gz FTUWNBWHKQQUHE-SECBINFHSA-N 1 2 343.343 2.387 20 5 EEBDLO O=[N+]([O-])c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000008177721 285125688 /nfs/dbraw/zinc/12/56/88/285125688.db2.gz WLLKPJPJMLUDRY-UHFFFAOYSA-N 1 2 329.316 2.225 20 5 EEBDLO CNC(=O)N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000271188705 256217441 /nfs/dbraw/zinc/21/74/41/256217441.db2.gz ONZHEXUPQQMJDM-UHFFFAOYSA-N 1 2 344.371 2.312 20 5 EEBDLO C[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000183572665 533617942 /nfs/dbraw/zinc/61/79/42/533617942.db2.gz WXWXEAFWMYTUDS-SMDDNHRTSA-N 1 2 330.348 2.301 20 5 EEBDLO COCCC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000357736689 153314492 /nfs/dbraw/zinc/31/44/92/153314492.db2.gz VCYIAZDRWJWVMJ-UHFFFAOYSA-N 1 2 344.371 2.470 20 5 EEBDLO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1 ZINC000345675745 161321760 /nfs/dbraw/zinc/32/17/60/161321760.db2.gz VUUFFVPYGZEZJV-CQSZACIVSA-N 1 2 341.371 2.115 20 5 EEBDLO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccccc1 ZINC000345675745 161321761 /nfs/dbraw/zinc/32/17/61/161321761.db2.gz VUUFFVPYGZEZJV-CQSZACIVSA-N 1 2 341.371 2.115 20 5 EEBDLO CC[N@@H+]1C[C@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000345974132 161346963 /nfs/dbraw/zinc/34/69/63/161346963.db2.gz XRJIAGGZALTGIK-QWRGUYRKSA-N 1 2 331.376 2.026 20 5 EEBDLO CC[N@H+]1C[C@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000345974132 161346964 /nfs/dbraw/zinc/34/69/64/161346964.db2.gz XRJIAGGZALTGIK-QWRGUYRKSA-N 1 2 331.376 2.026 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368963615 166160103 /nfs/dbraw/zinc/16/01/03/166160103.db2.gz KUGYOPBGKHOYLI-YLQAJVPDSA-N 1 2 347.415 2.468 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368963615 166160105 /nfs/dbraw/zinc/16/01/05/166160105.db2.gz KUGYOPBGKHOYLI-YLQAJVPDSA-N 1 2 347.415 2.468 20 5 EEBDLO O=C(CN1CCC[C@@H]1c1[nH]cc[nH+]1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000374882360 167060215 /nfs/dbraw/zinc/06/02/15/167060215.db2.gz XCRQOEKUVPVLHO-OAHLLOKOSA-N 1 2 341.371 2.044 20 5 EEBDLO Cc1[nH]nc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000278484767 269232998 /nfs/dbraw/zinc/23/29/98/269232998.db2.gz AZXRIORXJDLCDP-UHFFFAOYSA-N 1 2 345.359 2.013 20 5 EEBDLO Cc1n[nH]c(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000278484767 269232999 /nfs/dbraw/zinc/23/29/99/269232999.db2.gz AZXRIORXJDLCDP-UHFFFAOYSA-N 1 2 345.359 2.013 20 5 EEBDLO CCOc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000280271739 269345374 /nfs/dbraw/zinc/34/53/74/269345374.db2.gz CUNSSMZJRPTIBU-GUYCJALGSA-N 1 2 336.388 2.373 20 5 EEBDLO CCOc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000280271739 269345375 /nfs/dbraw/zinc/34/53/75/269345375.db2.gz CUNSSMZJRPTIBU-GUYCJALGSA-N 1 2 336.388 2.373 20 5 EEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000279204176 274450990 /nfs/dbraw/zinc/45/09/90/274450990.db2.gz LMZDXUYBFSBOJJ-LBPRGKRZSA-N 1 2 333.323 2.407 20 5 EEBDLO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1(F)F ZINC000289377883 275112246 /nfs/dbraw/zinc/11/22/46/275112246.db2.gz CAPLEGIIKVLZKZ-NSHDSACASA-N 1 2 339.342 2.461 20 5 EEBDLO C[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1(F)F ZINC000289377883 275112247 /nfs/dbraw/zinc/11/22/47/275112247.db2.gz CAPLEGIIKVLZKZ-NSHDSACASA-N 1 2 339.342 2.461 20 5 EEBDLO C[C@@]1([NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1=O ZINC000289735757 275144057 /nfs/dbraw/zinc/14/40/57/275144057.db2.gz XXWVABRWGJCAOP-MRXNPFEDSA-N 1 2 331.328 2.088 20 5 EEBDLO CC1(C)C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C1CC1 ZINC000290514049 275214202 /nfs/dbraw/zinc/21/42/02/275214202.db2.gz BRYSLLYRJCFXHU-HNNXBMFYSA-N 1 2 338.429 2.489 20 5 EEBDLO CC1(C)C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C1CC1 ZINC000290514049 275214204 /nfs/dbraw/zinc/21/42/04/275214204.db2.gz BRYSLLYRJCFXHU-HNNXBMFYSA-N 1 2 338.429 2.489 20 5 EEBDLO COC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(C(C)C)[nH+]c2C)c1=O ZINC000292634116 275457594 /nfs/dbraw/zinc/45/75/94/275457594.db2.gz LAJJHKNHDIMQSQ-UHFFFAOYSA-N 1 2 345.355 2.418 20 5 EEBDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)S1 ZINC000265732928 275852340 /nfs/dbraw/zinc/85/23/40/275852340.db2.gz CFGIYWIDPHHSSN-UHFFFAOYSA-N 1 2 348.428 2.234 20 5 EEBDLO CC(C)N1CCC[C@@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000177672741 277600981 /nfs/dbraw/zinc/60/09/81/277600981.db2.gz CZSCEZOPNYHEJP-QGZVFWFLSA-N 1 2 346.431 2.116 20 5 EEBDLO Cc1cc(NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000297757437 294333363 /nfs/dbraw/zinc/33/33/63/294333363.db2.gz LZENDOVQTSJKJJ-UHFFFAOYSA-N 1 2 342.359 2.047 20 5 EEBDLO O=[N+]([O-])c1cccc(CNc2[nH+]cnc3c2cnn3-c2ncccn2)c1 ZINC000178874414 311441797 /nfs/dbraw/zinc/44/17/97/311441797.db2.gz LTTOFTFKCUDCGQ-UHFFFAOYSA-N 1 2 348.326 2.126 20 5 EEBDLO CS(=O)(=O)c1cccc(NCCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000322599785 311598643 /nfs/dbraw/zinc/59/86/43/311598643.db2.gz WUZMYXSAHJCGQA-UHFFFAOYSA-N 1 2 338.389 2.087 20 5 EEBDLO COc1cccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000443917350 315264399 /nfs/dbraw/zinc/26/43/99/315264399.db2.gz CWJJISCWOZEOSF-UHFFFAOYSA-N 1 2 345.355 2.154 20 5 EEBDLO CC[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1[nH]cc[nH+]1 ZINC000327991375 465055405 /nfs/dbraw/zinc/05/54/05/465055405.db2.gz SBCXCKTZNTVKKU-CYBMUJFWSA-N 1 2 340.343 2.385 20 5 EEBDLO CCN(CCOCCO)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000336940255 465111080 /nfs/dbraw/zinc/11/10/80/465111080.db2.gz XSOIMURUYYVDDV-UHFFFAOYSA-N 1 2 346.387 2.195 20 5 EEBDLO CN1CC[N@H+](C)[C@@H](CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000590580089 468277045 /nfs/dbraw/zinc/27/70/45/468277045.db2.gz ZMLDFLMONVHZEA-NSHDSACASA-N 1 2 332.326 2.271 20 5 EEBDLO CN1CC[N@@H+](C)[C@@H](CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000590580089 468277050 /nfs/dbraw/zinc/27/70/50/468277050.db2.gz ZMLDFLMONVHZEA-NSHDSACASA-N 1 2 332.326 2.271 20 5 EEBDLO COC(=O)c1occc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000061019500 462572659 /nfs/dbraw/zinc/57/26/59/462572659.db2.gz NKDHTGVLYUVCQY-UHFFFAOYSA-N 1 2 345.355 2.297 20 5 EEBDLO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000005033037 462644206 /nfs/dbraw/zinc/64/42/06/462644206.db2.gz URCLCEZHBLLIDA-QWHCGFSZSA-N 1 2 341.367 2.081 20 5 EEBDLO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000005033037 462644213 /nfs/dbraw/zinc/64/42/13/462644213.db2.gz URCLCEZHBLLIDA-QWHCGFSZSA-N 1 2 341.367 2.081 20 5 EEBDLO O=C(c1ccccn1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000063522533 462652017 /nfs/dbraw/zinc/65/20/17/462652017.db2.gz LXZBIPSRHJHBEU-UHFFFAOYSA-N 1 2 340.383 2.338 20 5 EEBDLO O=C(c1ccccn1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000063522533 462652020 /nfs/dbraw/zinc/65/20/20/462652020.db2.gz LXZBIPSRHJHBEU-UHFFFAOYSA-N 1 2 340.383 2.338 20 5 EEBDLO Cc1occc1C[N@@H+](C)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000063639314 462659345 /nfs/dbraw/zinc/65/93/45/462659345.db2.gz XAKCFPKLTFBFOG-HNNXBMFYSA-N 1 2 343.339 2.260 20 5 EEBDLO Cc1occc1C[N@H+](C)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000063639314 462659348 /nfs/dbraw/zinc/65/93/48/462659348.db2.gz XAKCFPKLTFBFOG-HNNXBMFYSA-N 1 2 343.339 2.260 20 5 EEBDLO C[C@@H](CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000153803503 462694204 /nfs/dbraw/zinc/69/42/04/462694204.db2.gz HKLPJMSPWNAAON-PYEVWLCESA-N 1 2 332.335 2.396 20 5 EEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCNc1cccc[nH+]1 ZINC000118724868 462849551 /nfs/dbraw/zinc/84/95/51/462849551.db2.gz JSFCOWAUZFVQSP-UHFFFAOYSA-N 1 2 343.387 2.288 20 5 EEBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000015655835 462959045 /nfs/dbraw/zinc/95/90/45/462959045.db2.gz ILSYAWDGYKJWGV-CMDGGOBGSA-N 1 2 338.367 2.352 20 5 EEBDLO CCc1nn(C)c(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000094159659 463062944 /nfs/dbraw/zinc/06/29/44/463062944.db2.gz XODBZMQPPLADGA-CYBMUJFWSA-N 1 2 344.419 2.169 20 5 EEBDLO Cc1cc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)cc([N+](=O)[O-])c1 ZINC000121236705 463101923 /nfs/dbraw/zinc/10/19/23/463101923.db2.gz HUFHQOVZEULUGX-UHFFFAOYSA-N 1 2 347.375 2.013 20 5 EEBDLO Cc1cc(NC(=O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n(C)n1 ZINC000135226195 463131925 /nfs/dbraw/zinc/13/19/25/463131925.db2.gz ZILDNJKASFYIPA-UHFFFAOYSA-N 1 2 343.387 2.240 20 5 EEBDLO Cc1cc(NC(=O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n(C)n1 ZINC000135226195 463131926 /nfs/dbraw/zinc/13/19/26/463131926.db2.gz ZILDNJKASFYIPA-UHFFFAOYSA-N 1 2 343.387 2.240 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121491152 463144549 /nfs/dbraw/zinc/14/45/49/463144549.db2.gz PCDIDCDQNNHZMI-ZDUSSCGKSA-N 1 2 331.303 2.422 20 5 EEBDLO Cc1cccc2[nH+]c(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cn21 ZINC000068571323 463156556 /nfs/dbraw/zinc/15/65/56/463156556.db2.gz PFOYOHLNVQTPBY-UHFFFAOYSA-N 1 2 343.318 2.202 20 5 EEBDLO Cc1cccc([C@H](CNc2c([N+](=O)[O-])ncn2C)[NH+]2CCOCC2)c1 ZINC000029626690 463265963 /nfs/dbraw/zinc/26/59/63/463265963.db2.gz UWHBCWRJGAGZQW-HNNXBMFYSA-N 1 2 345.403 2.122 20 5 EEBDLO CCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030912506 463317364 /nfs/dbraw/zinc/31/73/64/463317364.db2.gz CAEKKJXIELPGTF-AWEZNQCLSA-N 1 2 334.420 2.022 20 5 EEBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000072521998 463515200 /nfs/dbraw/zinc/51/52/00/463515200.db2.gz SSHYFUJJTSQYCK-INIZCTEOSA-N 1 2 328.372 2.303 20 5 EEBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000072521998 463515204 /nfs/dbraw/zinc/51/52/04/463515204.db2.gz SSHYFUJJTSQYCK-INIZCTEOSA-N 1 2 328.372 2.303 20 5 EEBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083168687 463537349 /nfs/dbraw/zinc/53/73/49/463537349.db2.gz QBFZUCTXYCUZGO-NSHDSACASA-N 1 2 348.359 2.447 20 5 EEBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083168687 463537353 /nfs/dbraw/zinc/53/73/53/463537353.db2.gz QBFZUCTXYCUZGO-NSHDSACASA-N 1 2 348.359 2.447 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000170772429 463704313 /nfs/dbraw/zinc/70/43/13/463704313.db2.gz ZCOQNTZUTBKDHG-GFCCVEGCSA-N 1 2 337.376 2.043 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000170772429 463704314 /nfs/dbraw/zinc/70/43/14/463704314.db2.gz ZCOQNTZUTBKDHG-GFCCVEGCSA-N 1 2 337.376 2.043 20 5 EEBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000276724955 463732915 /nfs/dbraw/zinc/73/29/15/463732915.db2.gz ZSFBZNJKIPUPIO-OAHLLOKOSA-N 1 2 342.399 2.444 20 5 EEBDLO Cc1c(CC(=O)NCc2ccc(N(C)C)[nH+]c2)cccc1[N+](=O)[O-] ZINC000269580734 464025620 /nfs/dbraw/zinc/02/56/20/464025620.db2.gz AXAPGZWEDWNANO-UHFFFAOYSA-N 1 2 328.372 2.223 20 5 EEBDLO Cc1cc(N[C@H]2CC(=O)N(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270234015 464228940 /nfs/dbraw/zinc/22/89/40/464228940.db2.gz PGLHQZMTVIINIX-LBPRGKRZSA-N 1 2 327.344 2.003 20 5 EEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000181981311 464544794 /nfs/dbraw/zinc/54/47/94/464544794.db2.gz LMSCMZSFEAXERQ-GUYCJALGSA-N 1 2 348.355 2.001 20 5 EEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000181981311 464544799 /nfs/dbraw/zinc/54/47/99/464544799.db2.gz LMSCMZSFEAXERQ-GUYCJALGSA-N 1 2 348.355 2.001 20 5 EEBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000272440540 464609419 /nfs/dbraw/zinc/60/94/19/464609419.db2.gz PESKOBUYTHHNDF-SNVBAGLBSA-N 1 2 344.327 2.066 20 5 EEBDLO CC[C@](C)(CCO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000272443768 464611773 /nfs/dbraw/zinc/61/17/73/464611773.db2.gz 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/nfs/dbraw/zinc/91/55/87/468915587.db2.gz WSSGWCQAKNCZMA-SECBINFHSA-N 1 2 337.767 2.430 20 5 EEBDLO C[C@@H](C[C@@H]1CCOC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610742325 469057689 /nfs/dbraw/zinc/05/76/89/469057689.db2.gz FCTWIQYJSOQFTJ-STQMWFEESA-N 1 2 344.371 2.325 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000602805047 469088090 /nfs/dbraw/zinc/08/80/90/469088090.db2.gz KXLLDAQTWMYNQK-UHFFFAOYSA-N 1 2 349.357 2.058 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000602805047 469088096 /nfs/dbraw/zinc/08/80/96/469088096.db2.gz KXLLDAQTWMYNQK-UHFFFAOYSA-N 1 2 349.357 2.058 20 5 EEBDLO O=c1[nH]c(N2CCC[C@@H](n3cc[nH+]c3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000587866684 469096322 /nfs/dbraw/zinc/09/63/22/469096322.db2.gz KTBAENWRHYOZRZ-GFCCVEGCSA-N 1 2 340.343 2.282 20 5 EEBDLO COc1c(C)c[nH+]c(CN(C)c2ccc([N+](=O)[O-])c(C(N)=O)c2)c1C ZINC000596117525 469163720 /nfs/dbraw/zinc/16/37/20/469163720.db2.gz ILSNRQPKQUFEDK-UHFFFAOYSA-N 1 2 344.371 2.351 20 5 EEBDLO O=c1[nH]ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000596168147 469183902 /nfs/dbraw/zinc/18/39/02/469183902.db2.gz LKPYORURDMFSMR-UHFFFAOYSA-N 1 2 332.335 2.157 20 5 EEBDLO Cc1cc(N2CCC(=O)N(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596493989 469283825 /nfs/dbraw/zinc/28/38/25/469283825.db2.gz SJMVBDXSBMFUQZ-UHFFFAOYSA-N 1 2 341.371 2.029 20 5 EEBDLO CC(C)c1ccc(C(=O)N(C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000189622749 528059147 /nfs/dbraw/zinc/05/91/47/528059147.db2.gz UFQNMDQTUIDWKE-UHFFFAOYSA-N 1 2 335.404 2.122 20 5 EEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000456394867 536121370 /nfs/dbraw/zinc/12/13/70/536121370.db2.gz RINXZLRTTATPRS-NSHDSACASA-N 1 2 348.359 2.076 20 5 EEBDLO CCC(CC)C(=O)N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278847 577456654 /nfs/dbraw/zinc/45/66/54/577456654.db2.gz WIGMYAYWLMELNC-QGZVFWFLSA-N 1 2 349.431 2.209 20 5 EEBDLO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777454465 577479154 /nfs/dbraw/zinc/47/91/54/577479154.db2.gz LXOSJOTXTSIACJ-ZDUSSCGKSA-N 1 2 340.343 2.031 20 5 EEBDLO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000761046718 577674651 /nfs/dbraw/zinc/67/46/51/577674651.db2.gz JVUDIBPKNOXCPY-LLVKDONJSA-N 1 2 343.305 2.368 20 5 EEBDLO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000761046718 577674652 /nfs/dbraw/zinc/67/46/52/577674652.db2.gz JVUDIBPKNOXCPY-LLVKDONJSA-N 1 2 343.305 2.368 20 5 EEBDLO CCC(CC)C(=O)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000749668869 577979645 /nfs/dbraw/zinc/97/96/45/577979645.db2.gz AUJWMUYZMSWYPM-QGZVFWFLSA-N 1 2 349.431 2.209 20 5 EEBDLO CCC(=O)N1CCC2(CC1)C[N@H+](Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000949261063 674679722 /nfs/dbraw/zinc/67/97/22/674679722.db2.gz FRGWFDCKUVGGTJ-UHFFFAOYSA-N 1 2 347.415 2.198 20 5 EEBDLO CCC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccccc1[N+](=O)[O-])CCO2 ZINC000949261063 674679725 /nfs/dbraw/zinc/67/97/25/674679725.db2.gz FRGWFDCKUVGGTJ-UHFFFAOYSA-N 1 2 347.415 2.198 20 5 EEBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnc3n2CCOC3)C2CC2)c1 ZINC000891623056 676732167 /nfs/dbraw/zinc/73/21/67/676732167.db2.gz KUECLLVYBPYKHK-UHFFFAOYSA-N 1 2 328.372 2.486 20 5 EEBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnc3n2CCOC3)C2CC2)c1 ZINC000891623056 676732171 /nfs/dbraw/zinc/73/21/71/676732171.db2.gz KUECLLVYBPYKHK-UHFFFAOYSA-N 1 2 328.372 2.486 20 5 EEBDLO Cc1noc(C[N@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC001307647157 1190960393 /nfs/dbraw/zinc/96/03/93/1190960393.db2.gz HUMFGWDHDQVEFW-VXGBXAGGSA-N 1 2 327.406 2.378 20 5 EEBDLO Cc1noc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC001307647157 1190960395 /nfs/dbraw/zinc/96/03/95/1190960395.db2.gz HUMFGWDHDQVEFW-VXGBXAGGSA-N 1 2 327.406 2.378 20 5 EEBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000865157979 1198108402 /nfs/dbraw/zinc/10/84/02/1198108402.db2.gz DNRMOGPCCBMBBL-CYBMUJFWSA-N 1 2 332.335 2.337 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000873816234 1198709683 /nfs/dbraw/zinc/70/96/83/1198709683.db2.gz DXLYMHUNFSRQSM-OAHLLOKOSA-N 1 2 347.415 2.148 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c1C ZINC000887881722 1204499034 /nfs/dbraw/zinc/49/90/34/1204499034.db2.gz XJSXSMCAECLAMX-MRXNPFEDSA-N 1 2 349.431 2.298 20 5 EEBDLO C[C@@H]([NH2+]CC[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 ZINC000930208487 1206541476 /nfs/dbraw/zinc/54/14/76/1206541476.db2.gz QTLJLFIONKODLS-MRVPVSSYSA-N 1 2 331.166 2.148 20 5 EEBDLO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000930251920 1206544226 /nfs/dbraw/zinc/54/42/26/1206544226.db2.gz ODHUMIWIRCAKNM-MFKMUULPSA-N 1 2 327.178 2.172 20 5 EEBDLO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000930251920 1206544227 /nfs/dbraw/zinc/54/42/27/1206544227.db2.gz ODHUMIWIRCAKNM-MFKMUULPSA-N 1 2 327.178 2.172 20 5 EEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000931057457 1206603561 /nfs/dbraw/zinc/60/35/61/1206603561.db2.gz NPDYXBHJCRDNMG-ZDUSSCGKSA-N 1 2 336.392 2.054 20 5 EEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000931057457 1206603562 /nfs/dbraw/zinc/60/35/62/1206603562.db2.gz NPDYXBHJCRDNMG-ZDUSSCGKSA-N 1 2 336.392 2.054 20 5 EEBDLO CCCCC(=O)NCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096266244 1236868369 /nfs/dbraw/zinc/86/83/69/1236868369.db2.gz IPAUZGKOJGEBPB-UHFFFAOYSA-N 1 2 334.420 2.023 20 5 EEBDLO Cc1ccc(NCCN(C)C(=O)CCc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC001101567250 1245969327 /nfs/dbraw/zinc/96/93/27/1245969327.db2.gz CPWZXLNEULNMSQ-UHFFFAOYSA-N 1 2 331.376 2.129 20 5 EEBDLO Cc1noc(C[N@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1[N+](=O)[O-] ZINC000852044041 1291969233 /nfs/dbraw/zinc/96/92/33/1291969233.db2.gz CXHWMLPSWWFHFX-GFCCVEGCSA-N 1 2 340.380 2.380 20 5 EEBDLO Cc1noc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC(C)C)c1[N+](=O)[O-] ZINC000852044041 1291969236 /nfs/dbraw/zinc/96/92/36/1291969236.db2.gz CXHWMLPSWWFHFX-GFCCVEGCSA-N 1 2 340.380 2.380 20 5 EEBDLO CCCSc1nc(O[C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218314368 1297629461 /nfs/dbraw/zinc/62/94/61/1297629461.db2.gz IFFSSNCMYKGOBR-SECBINFHSA-N 1 2 342.421 2.359 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CC[C@H](C)[NH2+]C4)c3nc2cc1C ZINC001218405741 1297652767 /nfs/dbraw/zinc/65/27/67/1297652767.db2.gz LZVAANSPAZHSFJ-RYUDHWBXSA-N 1 2 339.399 2.415 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CCc2c[nH+]cn2C)c1 ZINC001101725710 1299758725 /nfs/dbraw/zinc/75/87/25/1299758725.db2.gz KSPWGDJHHOZSME-UHFFFAOYSA-N 1 2 345.403 2.140 20 5 EEBDLO CC(C)N(CCCNC(=O)Cc1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001102115685 1300342936 /nfs/dbraw/zinc/34/29/36/1300342936.db2.gz TXUGTEPUPJNTMQ-UHFFFAOYSA-N 1 2 345.403 2.282 20 5 EEBDLO C[C@@H]1COCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835770879 1314948710 /nfs/dbraw/zinc/94/87/10/1314948710.db2.gz LHHAVOXDAIRRIY-ABAIWWIYSA-N 1 2 331.328 2.362 20 5 EEBDLO CO[C@@H]1C[C@H]([N@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000840139802 1315306101 /nfs/dbraw/zinc/30/61/01/1315306101.db2.gz KWOJZMVIQFMHFE-LSDHHAIUSA-N 1 2 347.371 2.350 20 5 EEBDLO CO[C@@H]1C[C@H]([N@@H+](C)Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C12CCC2 ZINC000840139802 1315306106 /nfs/dbraw/zinc/30/61/06/1315306106.db2.gz KWOJZMVIQFMHFE-LSDHHAIUSA-N 1 2 347.371 2.350 20 5 EEBDLO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1n[nH]c2ccccc21 ZINC001149674891 1316012490 /nfs/dbraw/zinc/01/24/90/1316012490.db2.gz LRJIRVISQHWHBM-UHFFFAOYSA-N 1 2 345.384 2.052 20 5 EEBDLO COC(=O)[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001254536446 1318114108 /nfs/dbraw/zinc/11/41/08/1318114108.db2.gz PALTUOCAVLGFBR-BLLLJJGKSA-N 1 2 336.388 2.084 20 5 EEBDLO C[NH+](C)/C=C/c1cc(N2C[C@@H]3C(=O)CCC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001159013265 1319556688 /nfs/dbraw/zinc/55/66/88/1319556688.db2.gz RCWKNXVOWAOJQH-AFJNRPGYSA-N 1 2 330.388 2.328 20 5 EEBDLO COC(=O)c1cc([N+](=O)[O-])c(NCCCn2cc[nH+]c2)cc1OC ZINC001161688670 1320588579 /nfs/dbraw/zinc/58/85/79/1320588579.db2.gz ZFCKPQKOSREHCL-UHFFFAOYSA-N 1 2 334.332 2.089 20 5 EEBDLO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NC[C@@H]1C[N@H+](C)CCO1 ZINC001162689753 1320931071 /nfs/dbraw/zinc/93/10/71/1320931071.db2.gz OAMWVXAYIARBBL-SNVBAGLBSA-N 1 2 329.784 2.308 20 5 EEBDLO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001162689753 1320931072 /nfs/dbraw/zinc/93/10/72/1320931072.db2.gz OAMWVXAYIARBBL-SNVBAGLBSA-N 1 2 329.784 2.308 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)Cn3cc[nH+]c3)CCC2)c1 ZINC001111819723 1371260931 /nfs/dbraw/zinc/26/09/31/1371260931.db2.gz RUXYIHDGIMATQH-UHFFFAOYSA-N 1 2 343.387 2.251 20 5 EEBDLO COC[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000835242794 1372604996 /nfs/dbraw/zinc/60/49/96/1372604996.db2.gz YGYZSMCAKOEJFQ-OAHLLOKOSA-N 1 2 331.328 2.362 20 5 EEBDLO CSc1nc(Cl)c([N+](=O)[O-])c(NCc2cc[nH+]c(N)c2)n1 ZINC001156756402 805584478 /nfs/dbraw/zinc/58/44/78/805584478.db2.gz XNSYDCRRJBCPNC-UHFFFAOYSA-N 1 2 326.769 2.349 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)NC/C=C\CNc1ccc([N+](=O)[O-])cc1F ZINC001107566382 787671711 /nfs/dbraw/zinc/67/17/11/787671711.db2.gz PWLHXGMWXHWUOL-UPHRSURJSA-N 1 2 347.350 2.174 20 5 EEBDLO O=C(CCc1c[nH+]c[nH]1)NC/C=C\CNc1ccc([N+](=O)[O-])cc1F ZINC001107566382 787671715 /nfs/dbraw/zinc/67/17/15/787671715.db2.gz PWLHXGMWXHWUOL-UPHRSURJSA-N 1 2 347.350 2.174 20 5 EEBDLO O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CC[NH2+]CC(F)(F)C1)CC2 ZINC001172903956 797131094 /nfs/dbraw/zinc/13/10/94/797131094.db2.gz KGOHPBPXBPTBCP-AWEZNQCLSA-N 1 2 325.359 2.383 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCn3c(C)nnc3C2)c1F ZINC001173190549 797282141 /nfs/dbraw/zinc/28/21/41/797282141.db2.gz VOBILRCTBYFOFT-SNVBAGLBSA-N 1 2 349.366 2.089 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCn3c(C)nnc3C2)c1F ZINC001173190549 797282144 /nfs/dbraw/zinc/28/21/44/797282144.db2.gz VOBILRCTBYFOFT-SNVBAGLBSA-N 1 2 349.366 2.089 20 5 EEBDLO Cc1cc(NC[C@@H]2COCC[N@H+]2C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001169653264 803927424 /nfs/dbraw/zinc/92/74/24/803927424.db2.gz MRSNLHYYSBUENP-OAHLLOKOSA-N 1 2 343.387 2.103 20 5 EEBDLO Cc1cc(NC[C@@H]2COCC[N@@H+]2C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001169653264 803927436 /nfs/dbraw/zinc/92/74/36/803927436.db2.gz MRSNLHYYSBUENP-OAHLLOKOSA-N 1 2 343.387 2.103 20 5 EEBDLO O=[N+]([O-])c1c(NCc2ccc(-n3cc[nH+]c3)nc2)nc2ccccn21 ZINC000022318874 202083078 /nfs/dbraw/zinc/08/30/78/202083078.db2.gz SKXQZYKHPQHQMQ-UHFFFAOYSA-N 1 2 335.327 2.435 20 5 EEBDLO O=C(N[C@H]1CCC[C@H]1CCO)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187811921 236307216 /nfs/dbraw/zinc/30/72/16/236307216.db2.gz DUNNECSUZBSKJX-JSGCOSHPSA-N 1 2 344.371 2.061 20 5 EEBDLO CN(C)c1[nH+]cccc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079697096 201207848 /nfs/dbraw/zinc/20/78/48/201207848.db2.gz HYJHTKBTJJYYAB-UHFFFAOYSA-N 1 2 329.360 2.131 20 5 EEBDLO CN1CC[N@H+](C)[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000264817280 201211912 /nfs/dbraw/zinc/21/19/12/201211912.db2.gz XJZUAEKYNUFAJQ-LLVKDONJSA-N 1 2 332.326 2.271 20 5 EEBDLO CN1CC[N@@H+](C)[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000264817280 201211914 /nfs/dbraw/zinc/21/19/14/201211914.db2.gz XJZUAEKYNUFAJQ-LLVKDONJSA-N 1 2 332.326 2.271 20 5 EEBDLO CSc1cccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000428347105 241568439 /nfs/dbraw/zinc/56/84/39/241568439.db2.gz IWBZIQCQLIRMHH-JTQLQIEISA-N 1 2 332.385 2.258 20 5 EEBDLO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ncnc4[nH]ccc43)CC2)c1 ZINC000069442734 203002263 /nfs/dbraw/zinc/00/22/63/203002263.db2.gz LRWLLKMYWOJSSK-UHFFFAOYSA-N 1 2 338.371 2.188 20 5 EEBDLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000076348175 203349423 /nfs/dbraw/zinc/34/94/23/203349423.db2.gz CQRPBEBLRXDWBB-LLVKDONJSA-N 1 2 327.768 2.298 20 5 EEBDLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000076348175 203349427 /nfs/dbraw/zinc/34/94/27/203349427.db2.gz CQRPBEBLRXDWBB-LLVKDONJSA-N 1 2 327.768 2.298 20 5 EEBDLO CCOC(=O)c1noc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000459394231 245103916 /nfs/dbraw/zinc/10/39/16/245103916.db2.gz ZRUKHSUCPDOBHL-SNVBAGLBSA-N 1 2 334.332 2.314 20 5 EEBDLO CC1CC[NH+](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000129132588 205179538 /nfs/dbraw/zinc/17/95/38/205179538.db2.gz JEBIPFWGEIWNGZ-UHFFFAOYSA-N 1 2 347.462 2.204 20 5 EEBDLO C[N@H+](CCc1nccs1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000157889301 206162104 /nfs/dbraw/zinc/16/21/04/206162104.db2.gz KLFXRKLXLWHXBI-UHFFFAOYSA-N 1 2 346.412 2.115 20 5 EEBDLO C[N@@H+](CCc1nccs1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000157889301 206162108 /nfs/dbraw/zinc/16/21/08/206162108.db2.gz KLFXRKLXLWHXBI-UHFFFAOYSA-N 1 2 346.412 2.115 20 5 EEBDLO CCNC(=O)[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264982297 247106625 /nfs/dbraw/zinc/10/66/25/247106625.db2.gz UXSNPFZHRGCSDF-SNVBAGLBSA-N 1 2 334.401 2.333 20 5 EEBDLO Cc1[nH+]c[nH]c1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000267159805 256033258 /nfs/dbraw/zinc/03/32/58/256033258.db2.gz GFZNJRAAQPBMAY-UHFFFAOYSA-N 1 2 333.304 2.081 20 5 EEBDLO O=C(C[N@H+]1CCCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267894637 256095257 /nfs/dbraw/zinc/09/52/57/256095257.db2.gz VUMSUJZIHUEJMO-NSHDSACASA-N 1 2 327.768 2.034 20 5 EEBDLO O=C(C[N@@H+]1CCCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267894637 256095259 /nfs/dbraw/zinc/09/52/59/256095259.db2.gz VUMSUJZIHUEJMO-NSHDSACASA-N 1 2 327.768 2.034 20 5 EEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000119812912 142378446 /nfs/dbraw/zinc/37/84/46/142378446.db2.gz RNLJKYZUSGYKBY-ZDUSSCGKSA-N 1 2 328.372 2.423 20 5 EEBDLO CC(C)CNC(=O)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130158693 292368761 /nfs/dbraw/zinc/36/87/61/292368761.db2.gz GIBHOBZVYUCNBJ-UHFFFAOYSA-N 1 2 348.403 2.041 20 5 EEBDLO CC(C)CNC(=O)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130158693 292368763 /nfs/dbraw/zinc/36/87/63/292368763.db2.gz GIBHOBZVYUCNBJ-UHFFFAOYSA-N 1 2 348.403 2.041 20 5 EEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)n1 ZINC000341742210 161010070 /nfs/dbraw/zinc/01/00/70/161010070.db2.gz HUWWPJFBRTXALS-UHFFFAOYSA-N 1 2 341.327 2.079 20 5 EEBDLO Nc1c(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)cccc1[N+](=O)[O-] ZINC000344927348 161256651 /nfs/dbraw/zinc/25/66/51/161256651.db2.gz TVKPDHLUBGDEAC-UHFFFAOYSA-N 1 2 337.339 2.293 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCNC(=O)N(C)C ZINC000355073144 163072705 /nfs/dbraw/zinc/07/27/05/163072705.db2.gz TZYAWERUIDBJIV-UHFFFAOYSA-N 1 2 338.408 2.085 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCNC(=O)N(C)C ZINC000355073144 163072707 /nfs/dbraw/zinc/07/27/07/163072707.db2.gz TZYAWERUIDBJIV-UHFFFAOYSA-N 1 2 338.408 2.085 20 5 EEBDLO Cc1cc(NC[C@@H]2C[NH+]3CCN2CC3)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360052716 164224894 /nfs/dbraw/zinc/22/48/94/164224894.db2.gz QCLBIHHTANSRSA-LLVKDONJSA-N 1 2 344.337 2.334 20 5 EEBDLO CC(C)[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)O ZINC000360429404 164307930 /nfs/dbraw/zinc/30/79/30/164307930.db2.gz SCDNKBBBNFNWHV-OAHLLOKOSA-N 1 2 346.387 2.306 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368963613 166161005 /nfs/dbraw/zinc/16/10/05/166161005.db2.gz KUGYOPBGKHOYLI-NUTKFTJISA-N 1 2 347.415 2.468 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368963613 166161009 /nfs/dbraw/zinc/16/10/09/166161009.db2.gz KUGYOPBGKHOYLI-NUTKFTJISA-N 1 2 347.415 2.468 20 5 EEBDLO Cc1cccc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000275420352 269114806 /nfs/dbraw/zinc/11/48/06/269114806.db2.gz HJEZPYFTBWGTAU-OAHLLOKOSA-N 1 2 346.431 2.036 20 5 EEBDLO Cc1ccc(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000278654147 269239682 /nfs/dbraw/zinc/23/96/82/269239682.db2.gz JXTHNZLBUUFLEZ-CQSZACIVSA-N 1 2 326.418 2.302 20 5 EEBDLO Cc1ccc(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000278654147 269239684 /nfs/dbraw/zinc/23/96/84/269239684.db2.gz JXTHNZLBUUFLEZ-CQSZACIVSA-N 1 2 326.418 2.302 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000279321813 269271601 /nfs/dbraw/zinc/27/16/01/269271601.db2.gz OOGVOAQBZLMCOL-LBPRGKRZSA-N 1 2 347.371 2.134 20 5 EEBDLO COCCOCCN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000288798982 275086087 /nfs/dbraw/zinc/08/60/87/275086087.db2.gz FVPDEJODSIOFPX-UHFFFAOYSA-N 1 2 346.387 2.459 20 5 EEBDLO O=C(C[N@H+]1CCC[C@H](O)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293026116 293105645 /nfs/dbraw/zinc/10/56/45/293105645.db2.gz FWVNOIUOSYGPAW-NSHDSACASA-N 1 2 327.768 2.034 20 5 EEBDLO O=C(C[N@@H+]1CCC[C@H](O)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000293026116 293105649 /nfs/dbraw/zinc/10/56/49/293105649.db2.gz FWVNOIUOSYGPAW-NSHDSACASA-N 1 2 327.768 2.034 20 5 EEBDLO O=[N+]([O-])c1c(F)cccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000301096180 294821811 /nfs/dbraw/zinc/82/18/11/294821811.db2.gz NEOFJFQKFMTLJT-OAHLLOKOSA-N 1 2 341.408 2.354 20 5 EEBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@H](C)c2csnn2)cccc1[N+](=O)[O-] ZINC000412044219 312604757 /nfs/dbraw/zinc/60/47/57/312604757.db2.gz QJWLNGLRIJEGLC-NXEZZACHSA-N 1 2 335.389 2.433 20 5 EEBDLO C[NH+](C)CCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436965495 315017322 /nfs/dbraw/zinc/01/73/22/315017322.db2.gz SHNVXNDFJLXMKH-UHFFFAOYSA-N 1 2 345.355 2.493 20 5 EEBDLO CO[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000439817951 315097412 /nfs/dbraw/zinc/09/74/12/315097412.db2.gz DCZFXECSALGMBT-LSDHHAIUSA-N 1 2 344.371 2.324 20 5 EEBDLO COC(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000444689375 315316903 /nfs/dbraw/zinc/31/69/03/315316903.db2.gz FPAWAWDUVSKCFP-JQWIXIFHSA-N 1 2 332.360 2.102 20 5 EEBDLO COC(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000444689375 315316906 /nfs/dbraw/zinc/31/69/06/315316906.db2.gz FPAWAWDUVSKCFP-JQWIXIFHSA-N 1 2 332.360 2.102 20 5 EEBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000495730101 316076986 /nfs/dbraw/zinc/07/69/86/316076986.db2.gz PKCZAUWZMPPQIF-ZDUSSCGKSA-N 1 2 337.376 2.353 20 5 EEBDLO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000495730101 316076987 /nfs/dbraw/zinc/07/69/87/316076987.db2.gz PKCZAUWZMPPQIF-ZDUSSCGKSA-N 1 2 337.376 2.353 20 5 EEBDLO CCC[C@@H](C(=O)OCC)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000502691787 316351160 /nfs/dbraw/zinc/35/11/60/316351160.db2.gz LELSGRDHVJWHJX-INIZCTEOSA-N 1 2 335.404 2.449 20 5 EEBDLO CC(C)n1nccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000525977338 317100135 /nfs/dbraw/zinc/10/01/35/317100135.db2.gz HFRHLQNDZMZZQO-UHFFFAOYSA-N 1 2 330.392 2.089 20 5 EEBDLO COCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000534336782 317942676 /nfs/dbraw/zinc/94/26/76/317942676.db2.gz NFWVYYDLSGETHD-UHFFFAOYSA-N 1 2 332.360 2.051 20 5 EEBDLO C[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000560738717 318810371 /nfs/dbraw/zinc/81/03/71/318810371.db2.gz GKOKGSFLQLQZOK-KEYYUXOJSA-N 1 2 347.415 2.020 20 5 EEBDLO C[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000182807336 323388769 /nfs/dbraw/zinc/38/87/69/323388769.db2.gz RXDGEGBLZXBRBZ-NWDGAFQWSA-N 1 2 334.351 2.486 20 5 EEBDLO COc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000085786687 462559550 /nfs/dbraw/zinc/55/95/50/462559550.db2.gz WYTFUYJCOCBSHZ-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000152747589 462576851 /nfs/dbraw/zinc/57/68/51/462576851.db2.gz AVXINONQMQJVCW-JKSUJKDBSA-N 1 2 347.415 2.047 20 5 EEBDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000152747589 462576855 /nfs/dbraw/zinc/57/68/55/462576855.db2.gz AVXINONQMQJVCW-JKSUJKDBSA-N 1 2 347.415 2.047 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000118419386 462837793 /nfs/dbraw/zinc/83/77/93/462837793.db2.gz KPILCKPNQBYPPR-MNOVXSKESA-N 1 2 339.417 2.368 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000118419386 462837799 /nfs/dbraw/zinc/83/77/99/462837799.db2.gz KPILCKPNQBYPPR-MNOVXSKESA-N 1 2 339.417 2.368 20 5 EEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000119530512 462908753 /nfs/dbraw/zinc/90/87/53/462908753.db2.gz CGBWIWDBGHZGOG-AWEZNQCLSA-N 1 2 342.399 2.352 20 5 EEBDLO Cn1c2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000134356501 463029092 /nfs/dbraw/zinc/02/90/92/463029092.db2.gz YAFPIBVHGGTKOM-UHFFFAOYSA-N 1 2 326.316 2.334 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000067793234 463052285 /nfs/dbraw/zinc/05/22/85/463052285.db2.gz CUAJXMIZOILBIF-UHFFFAOYSA-N 1 2 344.371 2.109 20 5 EEBDLO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c[nH+]cn1C ZINC000121369048 463124414 /nfs/dbraw/zinc/12/44/14/463124414.db2.gz VZNTULDKXSWHSL-UHFFFAOYSA-N 1 2 334.401 2.413 20 5 EEBDLO CC[C@]1(C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000135612412 463183392 /nfs/dbraw/zinc/18/33/92/463183392.db2.gz ZXEVGECUHIIJQQ-NVXWUHKLSA-N 1 2 333.388 2.201 20 5 EEBDLO CC[C@]1(C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000135612412 463183395 /nfs/dbraw/zinc/18/33/95/463183395.db2.gz ZXEVGECUHIIJQQ-NVXWUHKLSA-N 1 2 333.388 2.201 20 5 EEBDLO CC(C)C(=O)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083168602 463537249 /nfs/dbraw/zinc/53/72/49/463537249.db2.gz ANEAXJTYYRMCJA-UHFFFAOYSA-N 1 2 346.387 2.473 20 5 EEBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000163010220 463556522 /nfs/dbraw/zinc/55/65/22/463556522.db2.gz RMUMCPQCCWBJTJ-LBPRGKRZSA-N 1 2 332.385 2.358 20 5 EEBDLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000072982084 463569863 /nfs/dbraw/zinc/56/98/63/463569863.db2.gz NCAZKVWBSPMLTQ-LBPRGKRZSA-N 1 2 331.376 2.270 20 5 EEBDLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000072982084 463569867 /nfs/dbraw/zinc/56/98/67/463569867.db2.gz NCAZKVWBSPMLTQ-LBPRGKRZSA-N 1 2 331.376 2.270 20 5 EEBDLO O=C(NCc1cn2ccccc2[nH+]1)NCc1ccccc1[N+](=O)[O-] ZINC000043476592 463641764 /nfs/dbraw/zinc/64/17/64/463641764.db2.gz WAWGXYMAJFVSSX-UHFFFAOYSA-N 1 2 325.328 2.242 20 5 EEBDLO Cc1cc(N[C@@H]2C(=O)NCC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000193520853 463716032 /nfs/dbraw/zinc/71/60/32/463716032.db2.gz WCTGENWMCCMVHZ-BONVTDFDSA-N 1 2 341.371 2.297 20 5 EEBDLO COC(=O)c1coc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000171032562 463765570 /nfs/dbraw/zinc/76/55/70/463765570.db2.gz TXFJIBVGNNRTRI-UHFFFAOYSA-N 1 2 345.355 2.297 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000194759663 463924797 /nfs/dbraw/zinc/92/47/97/463924797.db2.gz DVSUELGRNHSUPW-GFCCVEGCSA-N 1 2 348.428 2.152 20 5 EEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000171844865 463935398 /nfs/dbraw/zinc/93/53/98/463935398.db2.gz RTAWMMVFBCNVES-UHFFFAOYSA-N 1 2 341.795 2.089 20 5 EEBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000171844865 463935402 /nfs/dbraw/zinc/93/54/02/463935402.db2.gz RTAWMMVFBCNVES-UHFFFAOYSA-N 1 2 341.795 2.089 20 5 EEBDLO O=C(NC[C@H]1C[NH+]2CCN1CC2)c1cc2ccccc2c2cccnc12 ZINC000178786441 463973610 /nfs/dbraw/zinc/97/36/10/463973610.db2.gz KPUTWWZDCWORRA-INIZCTEOSA-N 1 2 346.434 2.118 20 5 EEBDLO CC(C)(C)C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000269619495 464036095 /nfs/dbraw/zinc/03/60/95/464036095.db2.gz HSUKGLZBORGAOW-CYBMUJFWSA-N 1 2 346.387 2.307 20 5 EEBDLO CC(C)c1noc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000172358296 464062861 /nfs/dbraw/zinc/06/28/61/464062861.db2.gz INJUXTTZSVIFJA-NSHDSACASA-N 1 2 332.364 2.183 20 5 EEBDLO CC(C)c1noc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000172358296 464062865 /nfs/dbraw/zinc/06/28/65/464062865.db2.gz INJUXTTZSVIFJA-NSHDSACASA-N 1 2 332.364 2.183 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000186871096 464076032 /nfs/dbraw/zinc/07/60/32/464076032.db2.gz QWOHABSJWKIVLH-ZDUSSCGKSA-N 1 2 333.388 2.391 20 5 EEBDLO CN(C[C@H]1CCC[C@H]1O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000270061552 464174465 /nfs/dbraw/zinc/17/44/65/464174465.db2.gz HSJAWWLTYFEWHR-CZUORRHYSA-N 1 2 344.371 2.014 20 5 EEBDLO Cc1c(C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cccc1[N+](=O)[O-] ZINC000173078607 464189262 /nfs/dbraw/zinc/18/92/62/464189262.db2.gz RKMHENICUGXLCS-LLVKDONJSA-N 1 2 348.428 2.152 20 5 EEBDLO Cc1ccc(C[N@H+](CCO)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000181989060 464546062 /nfs/dbraw/zinc/54/60/62/464546062.db2.gz FRAHVQMHDCTKHI-UHFFFAOYSA-N 1 2 343.383 2.336 20 5 EEBDLO Cc1ccc(C[N@@H+](CCO)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000181989060 464546068 /nfs/dbraw/zinc/54/60/68/464546068.db2.gz FRAHVQMHDCTKHI-UHFFFAOYSA-N 1 2 343.383 2.336 20 5 EEBDLO O=C(NCC[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000182843320 464741695 /nfs/dbraw/zinc/74/16/95/464741695.db2.gz PCFRDEMGIBORRW-AWEZNQCLSA-N 1 2 344.371 2.470 20 5 EEBDLO Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000176589103 464806654 /nfs/dbraw/zinc/80/66/54/464806654.db2.gz YIJYEKHHOPTTMG-NSHDSACASA-N 1 2 342.355 2.423 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249529135 464885733 /nfs/dbraw/zinc/88/57/33/464885733.db2.gz APASIBMKXJLCNH-IUODEOHRSA-N 1 2 335.404 2.468 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249529135 464885736 /nfs/dbraw/zinc/88/57/36/464885736.db2.gz APASIBMKXJLCNH-IUODEOHRSA-N 1 2 335.404 2.468 20 5 EEBDLO COC(=O)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000276416866 464924780 /nfs/dbraw/zinc/92/47/80/464924780.db2.gz NBJHUEHYVUIHCH-JQWIXIFHSA-N 1 2 333.344 2.367 20 5 EEBDLO COC(=O)[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000276416866 464924784 /nfs/dbraw/zinc/92/47/84/464924784.db2.gz NBJHUEHYVUIHCH-JQWIXIFHSA-N 1 2 333.344 2.367 20 5 EEBDLO CCNc1ccc(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000339523791 465320941 /nfs/dbraw/zinc/32/09/41/465320941.db2.gz DMGVQXUUWSPLIH-CYBMUJFWSA-N 1 2 343.387 2.390 20 5 EEBDLO CCN1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1c1ncc[nH]1 ZINC000348374134 465572240 /nfs/dbraw/zinc/57/22/40/465572240.db2.gz PXZRDOKBZCXJDE-OAHLLOKOSA-N 1 2 345.403 2.205 20 5 EEBDLO CCN1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1c1ncc[nH]1 ZINC000348374134 465572246 /nfs/dbraw/zinc/57/22/46/465572246.db2.gz PXZRDOKBZCXJDE-OAHLLOKOSA-N 1 2 345.403 2.205 20 5 EEBDLO Cn1ccnc1[C@@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000348418395 465594253 /nfs/dbraw/zinc/59/42/53/465594253.db2.gz XHCRLZOVKMYIRK-HNNXBMFYSA-N 1 2 349.822 2.470 20 5 EEBDLO Cn1ccnc1[C@@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000348418395 465594264 /nfs/dbraw/zinc/59/42/64/465594264.db2.gz XHCRLZOVKMYIRK-HNNXBMFYSA-N 1 2 349.822 2.470 20 5 EEBDLO O=[N+]([O-])c1cnc2ccc(NCc3cccc(-c4[nH]cc[nH+]4)c3)nn21 ZINC000361045705 465726178 /nfs/dbraw/zinc/72/61/78/465726178.db2.gz MCHWXAWAXJWODY-UHFFFAOYSA-N 1 2 335.327 2.640 20 5 EEBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000366690322 465879005 /nfs/dbraw/zinc/87/90/05/465879005.db2.gz ZVTRGBWVOKBHCQ-ZDUSSCGKSA-N 1 2 344.375 2.156 20 5 EEBDLO CC[C@@H](C[C@@H](C)CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000340279535 465947219 /nfs/dbraw/zinc/94/72/19/465947219.db2.gz PXFVQZAZTNWWOC-OCCSQVGLSA-N 1 2 346.387 2.307 20 5 EEBDLO CNC(=O)c1ccc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000301623447 465998221 /nfs/dbraw/zinc/99/82/21/465998221.db2.gz FLPPCCAFDDKXSY-CQSZACIVSA-N 1 2 342.355 2.007 20 5 EEBDLO COc1c(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cccc1[N+](=O)[O-] ZINC000346804943 466165966 /nfs/dbraw/zinc/16/59/66/466165966.db2.gz YYYMDJDFMVCZOU-ZDUSSCGKSA-N 1 2 348.359 2.435 20 5 EEBDLO COc1c(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cccc1[N+](=O)[O-] ZINC000346804943 466165972 /nfs/dbraw/zinc/16/59/72/466165972.db2.gz YYYMDJDFMVCZOU-ZDUSSCGKSA-N 1 2 348.359 2.435 20 5 EEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338628140 466271321 /nfs/dbraw/zinc/27/13/21/466271321.db2.gz SZJDZIRVBMMEAU-BMIGLBTASA-N 1 2 336.323 2.112 20 5 EEBDLO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338628140 466271328 /nfs/dbraw/zinc/27/13/28/466271328.db2.gz SZJDZIRVBMMEAU-BMIGLBTASA-N 1 2 336.323 2.112 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000370630915 466945923 /nfs/dbraw/zinc/94/59/23/466945923.db2.gz KIPJQZJSJRMRKS-AHIWAGSCSA-N 1 2 336.388 2.372 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000370630915 466945927 /nfs/dbraw/zinc/94/59/27/466945927.db2.gz KIPJQZJSJRMRKS-AHIWAGSCSA-N 1 2 336.388 2.372 20 5 EEBDLO C[C@H](O)CNc1cc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)nc[nH+]1 ZINC000413203798 467189602 /nfs/dbraw/zinc/18/96/02/467189602.db2.gz OCLNDZXMSVRNJK-LBPRGKRZSA-N 1 2 343.387 2.347 20 5 EEBDLO C[C@H](O)CNc1cc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH+]cn1 ZINC000413203798 467189604 /nfs/dbraw/zinc/18/96/04/467189604.db2.gz OCLNDZXMSVRNJK-LBPRGKRZSA-N 1 2 343.387 2.347 20 5 EEBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000428611439 467251850 /nfs/dbraw/zinc/25/18/50/467251850.db2.gz NTXCBGUXIMSKND-GDBMZVCRSA-N 1 2 344.371 2.156 20 5 EEBDLO O=[N+]([O-])c1cccc(C[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)c1 ZINC000428697514 467260055 /nfs/dbraw/zinc/26/00/55/467260055.db2.gz DGIQLTSUEVRUSH-UHFFFAOYSA-N 1 2 338.429 2.386 20 5 EEBDLO C[C@@H]1CN(CC[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000434695486 467419465 /nfs/dbraw/zinc/41/94/65/467419465.db2.gz QWZKYJHGUBHEBQ-BETUJISGSA-N 1 2 347.419 2.012 20 5 EEBDLO C[C@@H]1CN(CC[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000434695486 467419467 /nfs/dbraw/zinc/41/94/67/467419467.db2.gz QWZKYJHGUBHEBQ-BETUJISGSA-N 1 2 347.419 2.012 20 5 EEBDLO CC[N@@H+]1CCO[C@@H](c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)C1 ZINC000420489003 467422069 /nfs/dbraw/zinc/42/20/69/467422069.db2.gz UHFRVFVUGSYUON-CQSZACIVSA-N 1 2 332.360 2.270 20 5 EEBDLO CC[N@H+]1CCO[C@@H](c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)C1 ZINC000420489003 467422072 /nfs/dbraw/zinc/42/20/72/467422072.db2.gz UHFRVFVUGSYUON-CQSZACIVSA-N 1 2 332.360 2.270 20 5 EEBDLO COc1ccc(CNC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000454308240 467583233 /nfs/dbraw/zinc/58/32/33/467583233.db2.gz VSSOECGPEHZRJR-PWSUYJOCSA-N 1 2 345.359 2.305 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454309824 467583449 /nfs/dbraw/zinc/58/34/49/467583449.db2.gz WLXRGQKYOPJRTE-ZWNOBZJWSA-N 1 2 345.359 2.305 20 5 EEBDLO C[C@H]1C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000454576818 467602019 /nfs/dbraw/zinc/60/20/19/467602019.db2.gz ISNXEAQETCRXQA-WCQYABFASA-N 1 2 329.360 2.339 20 5 EEBDLO CO[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448897908 467604588 /nfs/dbraw/zinc/60/45/88/467604588.db2.gz IKAYAOBIDFLDGF-ZDUSSCGKSA-N 1 2 330.344 2.032 20 5 EEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000449653974 467678175 /nfs/dbraw/zinc/67/81/75/467678175.db2.gz ULNWIAXTWIEQSH-SECBINFHSA-N 1 2 345.371 2.291 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000492860005 467775420 /nfs/dbraw/zinc/77/54/20/467775420.db2.gz HKIAKZZQNFHZOH-AFNCTOJWSA-N 1 2 326.356 2.358 20 5 EEBDLO CCn1cc[nH+]c1[C@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000450828933 467915316 /nfs/dbraw/zinc/91/53/16/467915316.db2.gz LHWMNWDGWWNMKJ-JTQLQIEISA-N 1 2 338.389 2.388 20 5 EEBDLO CCOC(=O)c1ccnc(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1[N+](=O)[O-] ZINC000450835384 467917006 /nfs/dbraw/zinc/91/70/06/467917006.db2.gz WZZACYYVTHSIDP-GXSJLCMTSA-N 1 2 331.332 2.481 20 5 EEBDLO CC(C)n1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000534336852 468254315 /nfs/dbraw/zinc/25/43/15/468254315.db2.gz OXVRRBDQBDBZOR-UHFFFAOYSA-N 1 2 330.392 2.089 20 5 EEBDLO CN(C[C@H]1CCCOC1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000570911541 468711663 /nfs/dbraw/zinc/71/16/63/468711663.db2.gz ZWEPHRZZJGJLNH-MRXNPFEDSA-N 1 2 349.431 2.290 20 5 EEBDLO Cc1cc(C[NH+]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])CC2)on1 ZINC000595287270 468800666 /nfs/dbraw/zinc/80/06/66/468800666.db2.gz BLHUJBXLWBIMJK-UHFFFAOYSA-N 1 2 334.351 2.348 20 5 EEBDLO CC[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](CC)CO1 ZINC000593056790 468855112 /nfs/dbraw/zinc/85/51/12/468855112.db2.gz AGDTYRAQWCFNMQ-GOEBONIOSA-N 1 2 347.415 2.373 20 5 EEBDLO CC[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](CC)CO1 ZINC000593056790 468855114 /nfs/dbraw/zinc/85/51/14/468855114.db2.gz AGDTYRAQWCFNMQ-GOEBONIOSA-N 1 2 347.415 2.373 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCOC2(CCC2)C1 ZINC000571985428 468866049 /nfs/dbraw/zinc/86/60/49/468866049.db2.gz HVDPHLGHVUAMDD-UHFFFAOYSA-N 1 2 347.415 2.186 20 5 EEBDLO C[C@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCC2)O1 ZINC000584527963 468892463 /nfs/dbraw/zinc/89/24/63/468892463.db2.gz SACXMABCHBFBBA-XJKSGUPXSA-N 1 2 345.399 2.344 20 5 EEBDLO C[C@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCC2)O1 ZINC000584527963 468892469 /nfs/dbraw/zinc/89/24/69/468892469.db2.gz SACXMABCHBFBBA-XJKSGUPXSA-N 1 2 345.399 2.344 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1c[nH+]c[nH]1 ZINC000595595512 468915352 /nfs/dbraw/zinc/91/53/52/468915352.db2.gz WSSGWCQAKNCZMA-VIFPVBQESA-N 1 2 337.767 2.430 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)Cc1c[nH]c[nH+]1 ZINC000595595512 468915355 /nfs/dbraw/zinc/91/53/55/468915355.db2.gz WSSGWCQAKNCZMA-VIFPVBQESA-N 1 2 337.767 2.430 20 5 EEBDLO C[C@@H](C[C@H]1CCOC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610742324 469058265 /nfs/dbraw/zinc/05/82/65/469058265.db2.gz FCTWIQYJSOQFTJ-QWHCGFSZSA-N 1 2 344.371 2.325 20 5 EEBDLO Cc1ccc([C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+]2CCOCC2)o1 ZINC000596061541 469134398 /nfs/dbraw/zinc/13/43/98/469134398.db2.gz BFBRMPBBDYPERL-ZDUSSCGKSA-N 1 2 348.359 2.082 20 5 EEBDLO COc1ccc(NC(=O)C[NH+]2CCC(C)(F)CC2)c([N+](=O)[O-])c1 ZINC000602992870 469211732 /nfs/dbraw/zinc/21/17/32/469211732.db2.gz IKBBGEDVPCMUSA-UHFFFAOYSA-N 1 2 325.340 2.366 20 5 EEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000596432718 469265045 /nfs/dbraw/zinc/26/50/45/469265045.db2.gz SEDCGBGLANYVPD-NEPJUHHUSA-N 1 2 348.403 2.001 20 5 EEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000596432718 469265051 /nfs/dbraw/zinc/26/50/51/469265051.db2.gz SEDCGBGLANYVPD-NEPJUHHUSA-N 1 2 348.403 2.001 20 5 EEBDLO CCn1cc(CNc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)nn1 ZINC000596453772 469270821 /nfs/dbraw/zinc/27/08/21/469270821.db2.gz LZTMGHDWPAXFKX-UHFFFAOYSA-N 1 2 339.359 2.006 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C 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ZJCHZEAFCNSSJE-UHFFFAOYSA-N 1 2 349.822 2.300 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1-c1nc(-c2ccc(-n3cc[nH+]c3)nc2)no1 ZINC000761472334 577684564 /nfs/dbraw/zinc/68/45/64/577684564.db2.gz OANIUHKRPPQWNU-UHFFFAOYSA-N 1 2 337.299 2.231 20 5 EEBDLO Cc1c(Br)c(-n2c[nH+]c(CCCO)c2)ncc1[N+](=O)[O-] ZINC000754032622 577798987 /nfs/dbraw/zinc/79/89/87/577798987.db2.gz YBIICDWLVGVRBK-UHFFFAOYSA-N 1 2 341.165 2.171 20 5 EEBDLO CC(C)OCCC[N@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000740856300 578108067 /nfs/dbraw/zinc/10/80/67/578108067.db2.gz CSJBIFJONCECKI-UHFFFAOYSA-N 1 2 335.202 2.258 20 5 EEBDLO CC(C)OCCC[N@@H+](C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000740856300 578108068 /nfs/dbraw/zinc/10/80/68/578108068.db2.gz CSJBIFJONCECKI-UHFFFAOYSA-N 1 2 335.202 2.258 20 5 EEBDLO Cc1cc(N)nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[nH+]1 ZINC000022089276 675901155 /nfs/dbraw/zinc/90/11/55/675901155.db2.gz DUPKHAQZPMQFOZ-UHFFFAOYSA-N 1 2 337.336 2.145 20 5 EEBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)C1CCCC1 ZINC001025646201 683206559 /nfs/dbraw/zinc/20/65/59/683206559.db2.gz ISQBSHTUXGBRQV-NHAGDIPZSA-N 1 2 335.429 2.393 20 5 EEBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)C1CCCC1 ZINC001025646201 683206562 /nfs/dbraw/zinc/20/65/62/683206562.db2.gz ISQBSHTUXGBRQV-NHAGDIPZSA-N 1 2 335.429 2.393 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c1C ZINC000896187859 684887607 /nfs/dbraw/zinc/88/76/07/684887607.db2.gz UDMIACASERVDFV-KBPBESRZSA-N 1 2 335.404 2.051 20 5 EEBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000007492614 685856095 /nfs/dbraw/zinc/85/60/95/685856095.db2.gz SIOPGLBCPNFZMV-UHFFFAOYSA-N 1 2 345.355 2.297 20 5 EEBDLO CS(=O)(=O)c1cccc([C@H]([NH2+]CC[N+](=O)[O-])c2ccccc2)c1 ZINC000905137452 694547837 /nfs/dbraw/zinc/54/78/37/694547837.db2.gz TXJZEGIQTCKZGX-MRXNPFEDSA-N 1 2 334.397 2.046 20 5 EEBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cscn1 ZINC000813170988 1201140359 /nfs/dbraw/zinc/14/03/59/1201140359.db2.gz PSHHSLAVRXOQBH-ZDUSSCGKSA-N 1 2 333.369 2.483 20 5 EEBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1cscn1 ZINC000813170988 1201140363 /nfs/dbraw/zinc/14/03/63/1201140363.db2.gz PSHHSLAVRXOQBH-ZDUSSCGKSA-N 1 2 333.369 2.483 20 5 EEBDLO COc1ccccc1C[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881911947 1201787431 /nfs/dbraw/zinc/78/74/31/1201787431.db2.gz GBNTURVSLLJGCI-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO O=C1CCCN1C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886106729 1202473143 /nfs/dbraw/zinc/47/31/43/1202473143.db2.gz BTVYPUXAUYDJJX-INIZCTEOSA-N 1 2 340.383 2.443 20 5 EEBDLO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000886595394 1202529631 /nfs/dbraw/zinc/52/96/31/1202529631.db2.gz IOWDYVRUCOIXKK-GFCCVEGCSA-N 1 2 337.424 2.244 20 5 EEBDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000886595394 1202529632 /nfs/dbraw/zinc/52/96/32/1202529632.db2.gz IOWDYVRUCOIXKK-GFCCVEGCSA-N 1 2 337.424 2.244 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c1C ZINC000890514532 1204885370 /nfs/dbraw/zinc/88/53/70/1204885370.db2.gz KTAPLHKXKNNKLI-UKRRQHHQSA-N 1 2 347.415 2.147 20 5 EEBDLO Cc1c(NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000929222386 1206457471 /nfs/dbraw/zinc/45/74/71/1206457471.db2.gz HHMWQAONMBCSFR-GFCCVEGCSA-N 1 2 336.392 2.088 20 5 EEBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1cc2[nH]cccc-2c1=O ZINC000800865707 1234697558 /nfs/dbraw/zinc/69/75/58/1234697558.db2.gz IGANYXUGVUDZKI-UHFFFAOYSA-N 1 2 326.356 2.078 20 5 EEBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1cc2[nH]cccc-2c1=O ZINC000800865707 1234697561 /nfs/dbraw/zinc/69/75/61/1234697561.db2.gz IGANYXUGVUDZKI-UHFFFAOYSA-N 1 2 326.356 2.078 20 5 EEBDLO CCCN(CCNC(=O)Cc1[nH]c[nH+]c1C)c1ccc([N+](=O)[O-])cc1 ZINC001101164588 1245471948 /nfs/dbraw/zinc/47/19/48/1245471948.db2.gz QNSJKWYBCMFIRA-UHFFFAOYSA-N 1 2 345.403 2.202 20 5 EEBDLO Cc1ccc(NCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c([N+](=O)[O-])c1 ZINC001101695029 1246136480 /nfs/dbraw/zinc/13/64/80/1246136480.db2.gz LYEVOULBBAPUTH-UHFFFAOYSA-N 1 2 345.403 2.474 20 5 EEBDLO C[C@H]1Cc2c[nH+]ccc2N1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000857899667 1293946853 /nfs/dbraw/zinc/94/68/53/1293946853.db2.gz LMJAAIHRGBJHLI-LBPRGKRZSA-N 1 2 347.396 2.313 20 5 EEBDLO COc1ccc(S(=O)(=O)N2c3cc[nH+]cc3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000857902724 1293948796 /nfs/dbraw/zinc/94/87/96/1293948796.db2.gz XKVRPZIKSRNWIL-SNVBAGLBSA-N 1 2 349.368 2.138 20 5 EEBDLO CCC(=O)c1ccc(N2CCC([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000858631316 1294175032 /nfs/dbraw/zinc/17/50/32/1294175032.db2.gz CCYXYLKIJKLTAK-UHFFFAOYSA-N 1 2 347.415 2.489 20 5 EEBDLO O=C(c1ccc[nH]1)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001072463821 1295700398 /nfs/dbraw/zinc/70/03/98/1295700398.db2.gz YITJLRZJMWDNBA-UHFFFAOYSA-N 1 2 346.412 2.333 20 5 EEBDLO O=C(c1ccc[nH]1)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001072463821 1295700406 /nfs/dbraw/zinc/70/04/06/1295700406.db2.gz YITJLRZJMWDNBA-UHFFFAOYSA-N 1 2 346.412 2.333 20 5 EEBDLO C[NH2+][C@H]1C[C@@H](Oc2[nH]c(=O)nc3nc4cc(C)c(C)cc4nc32)C1 ZINC001217955904 1297535220 /nfs/dbraw/zinc/53/52/20/1297535220.db2.gz MBHPFENRNIITCU-PHIMTYICSA-N 1 2 325.372 2.025 20 5 EEBDLO C[N@@H+]1CCO[C@H](COc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001225505226 1301027446 /nfs/dbraw/zinc/02/74/46/1301027446.db2.gz JDRQABABYPGISD-JTQLQIEISA-N 1 2 331.166 2.067 20 5 EEBDLO C[N@H+]1CCO[C@H](COc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC001225505226 1301027453 /nfs/dbraw/zinc/02/74/53/1301027453.db2.gz JDRQABABYPGISD-JTQLQIEISA-N 1 2 331.166 2.067 20 5 EEBDLO C[C@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839670565 1315229163 /nfs/dbraw/zinc/22/91/63/1315229163.db2.gz UOOFSHKRJBOBOD-WDEREUQCSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@H]1[C@@H](CO)CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839670565 1315229165 /nfs/dbraw/zinc/22/91/65/1315229165.db2.gz UOOFSHKRJBOBOD-WDEREUQCSA-N 1 2 341.795 2.280 20 5 EEBDLO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839704946 1315235533 /nfs/dbraw/zinc/23/55/33/1315235533.db2.gz CYOMRTJEEHFYHX-HZPDHXFCSA-N 1 2 333.388 2.155 20 5 EEBDLO Cc1nc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)ccc1[N+](=O)[O-] ZINC001165546280 1321543729 /nfs/dbraw/zinc/54/37/29/1321543729.db2.gz HUKGWOZIPVPHTL-UHFFFAOYSA-N 1 2 340.343 2.094 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CC[C@H](O)C2)[nH+]c1 ZINC001210445033 1325286669 /nfs/dbraw/zinc/28/66/69/1325286669.db2.gz WDOQRSRHTDRWSD-ZDUSSCGKSA-N 1 2 330.344 2.313 20 5 EEBDLO CCOC(=O)c1ccnc(NCc2[nH]c3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC001307217952 1331519321 /nfs/dbraw/zinc/51/93/21/1331519321.db2.gz CJHLEJWGKCOKSK-UHFFFAOYSA-N 1 2 345.359 2.381 20 5 EEBDLO CN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001307596287 1331541132 /nfs/dbraw/zinc/54/11/32/1331541132.db2.gz IYLKDUHNRWMFJG-OLZOCXBDSA-N 1 2 325.315 2.145 20 5 EEBDLO CN(C(=O)C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001307596287 1331541135 /nfs/dbraw/zinc/54/11/35/1331541135.db2.gz IYLKDUHNRWMFJG-OLZOCXBDSA-N 1 2 325.315 2.145 20 5 EEBDLO C[C@@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)n1cc[nH+]c1 ZINC001318908226 1332622186 /nfs/dbraw/zinc/62/21/86/1332622186.db2.gz WGSKGRNLOMAAOP-ZDUSSCGKSA-N 1 2 344.371 2.422 20 5 EEBDLO Cc1ccncc1C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592277139 1349616570 /nfs/dbraw/zinc/61/65/70/1349616570.db2.gz USWHDCUKSVOMDX-UHFFFAOYSA-N 1 2 339.359 2.110 20 5 EEBDLO Cc1ccncc1C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001592277139 1349616571 /nfs/dbraw/zinc/61/65/71/1349616571.db2.gz USWHDCUKSVOMDX-UHFFFAOYSA-N 1 2 339.359 2.110 20 5 EEBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000852437124 1369273314 /nfs/dbraw/zinc/27/33/14/1369273314.db2.gz SXNVSNUCGZSUGJ-LLVKDONJSA-N 1 2 325.752 2.275 20 5 EEBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 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ZINC000561409154 318841840 /nfs/dbraw/zinc/84/18/40/318841840.db2.gz WYLKVDGHXVVAFJ-CQSZACIVSA-N 1 2 330.388 2.459 20 5 EEBDLO Cc1cc(C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1C ZINC000581405287 324244487 /nfs/dbraw/zinc/24/44/87/324244487.db2.gz GZWZVRGIACICJD-UHFFFAOYSA-N 1 2 345.403 2.266 20 5 EEBDLO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H](C)[N@H+]1C ZINC000292826465 464355692 /nfs/dbraw/zinc/35/56/92/464355692.db2.gz PHXAUKULWFQSJM-DTORHVGOSA-N 1 2 329.198 2.281 20 5 EEBDLO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)C[C@H](C)[N@@H+]1C ZINC000292826465 464355696 /nfs/dbraw/zinc/35/56/96/464355696.db2.gz PHXAUKULWFQSJM-DTORHVGOSA-N 1 2 329.198 2.281 20 5 EEBDLO CC[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1[nH]cc[nH+]1 ZINC000336892684 465085921 /nfs/dbraw/zinc/08/59/21/465085921.db2.gz SJBXOYIOWWVUTF-ZDUSSCGKSA-N 1 2 340.343 2.385 20 5 EEBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCn2c[nH+]cc2C1 ZINC000351616699 465253428 /nfs/dbraw/zinc/25/34/28/465253428.db2.gz VMKGKAIZIGGRJI-LBPRGKRZSA-N 1 2 348.790 2.366 20 5 EEBDLO COC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000578962016 468284702 /nfs/dbraw/zinc/28/47/02/468284702.db2.gz VNQIBWQXVQVJTO-ZDUSSCGKSA-N 1 2 332.360 2.181 20 5 EEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000128468757 462642236 /nfs/dbraw/zinc/64/22/36/462642236.db2.gz RUQMAQVVCOPYRN-OAHLLOKOSA-N 1 2 345.330 2.351 20 5 EEBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000154504375 462777094 /nfs/dbraw/zinc/77/70/94/462777094.db2.gz IRICYJBOAABCLK-JTQLQIEISA-N 1 2 348.309 2.277 20 5 EEBDLO COc1ccccc1C[N@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091790073 462907237 /nfs/dbraw/zinc/90/72/37/462907237.db2.gz APKDUIZQCLTUPV-UHFFFAOYSA-N 1 2 332.356 2.304 20 5 EEBDLO COc1ccccc1C[N@@H+](CCO)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000091790073 462907239 /nfs/dbraw/zinc/90/72/39/462907239.db2.gz APKDUIZQCLTUPV-UHFFFAOYSA-N 1 2 332.356 2.304 20 5 EEBDLO Cc1nsc(N2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000093716629 463044798 /nfs/dbraw/zinc/04/47/98/463044798.db2.gz JKVPADMNEHMWEU-UHFFFAOYSA-N 1 2 349.416 2.173 20 5 EEBDLO Cc1nsc(N2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000093716629 463044801 /nfs/dbraw/zinc/04/48/01/463044801.db2.gz JKVPADMNEHMWEU-UHFFFAOYSA-N 1 2 349.416 2.173 20 5 EEBDLO O=[N+]([O-])c1c(N2CC[NH+](Cc3ccco3)CC2)nc2sccn21 ZINC000053215898 463140441 /nfs/dbraw/zinc/14/04/41/463140441.db2.gz BJESAGCFLJGXFH-UHFFFAOYSA-N 1 2 333.373 2.219 20 5 EEBDLO C[C@@H]1C[NH+]=C(N2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)S1 ZINC000079497488 463220916 /nfs/dbraw/zinc/22/09/16/463220916.db2.gz BWRMYUYLBDXIPW-LLVKDONJSA-N 1 2 338.408 2.343 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069490201 463258370 /nfs/dbraw/zinc/25/83/70/463258370.db2.gz YWLOTAMKJRWIKZ-CQSZACIVSA-N 1 2 333.388 2.391 20 5 EEBDLO COc1ccc(-c2ccc(C[N@@H+]3CCNC(=O)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000123466439 463343848 /nfs/dbraw/zinc/34/38/48/463343848.db2.gz ZVXGCSYQMSSDAJ-LLVKDONJSA-N 1 2 345.355 2.184 20 5 EEBDLO COc1ccc(-c2ccc(C[N@H+]3CCNC(=O)[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000123466439 463343852 /nfs/dbraw/zinc/34/38/52/463343852.db2.gz ZVXGCSYQMSSDAJ-LLVKDONJSA-N 1 2 345.355 2.184 20 5 EEBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000123574796 463351006 /nfs/dbraw/zinc/35/10/06/463351006.db2.gz LBVRPBXUWVBTJM-GFCCVEGCSA-N 1 2 328.365 2.214 20 5 EEBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000123574796 463351010 /nfs/dbraw/zinc/35/10/10/463351010.db2.gz LBVRPBXUWVBTJM-GFCCVEGCSA-N 1 2 328.365 2.214 20 5 EEBDLO C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000123994030 463384312 /nfs/dbraw/zinc/38/43/12/463384312.db2.gz FNCZIBHZDYWFIJ-XHDPSFHLSA-N 1 2 329.360 2.097 20 5 EEBDLO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000071014933 463401924 /nfs/dbraw/zinc/40/19/24/463401924.db2.gz QVQKOURRFAITOG-CQSZACIVSA-N 1 2 342.417 2.003 20 5 EEBDLO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC000071014933 463401929 /nfs/dbraw/zinc/40/19/29/463401929.db2.gz QVQKOURRFAITOG-CQSZACIVSA-N 1 2 342.417 2.003 20 5 EEBDLO CCN(CC(C)(C)O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000081972433 463510538 /nfs/dbraw/zinc/51/05/38/463510538.db2.gz HKYNWDWBSBAHMS-UHFFFAOYSA-N 1 2 332.360 2.014 20 5 EEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](O)C1 ZINC000043305311 463634179 /nfs/dbraw/zinc/63/41/79/463634179.db2.gz LWGBYBDBFHKHBB-KOLCDFICSA-N 1 2 327.768 2.032 20 5 EEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](O)C1 ZINC000043305311 463634180 /nfs/dbraw/zinc/63/41/80/463634180.db2.gz LWGBYBDBFHKHBB-KOLCDFICSA-N 1 2 327.768 2.032 20 5 EEBDLO COc1cccc(C(=O)NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000193941803 463762967 /nfs/dbraw/zinc/76/29/67/463762967.db2.gz ZDXCWUWXDIKSQF-UHFFFAOYSA-N 1 2 340.339 2.224 20 5 EEBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000287093278 463797064 /nfs/dbraw/zinc/79/70/64/463797064.db2.gz XHCAMCKTNKVNAO-ZDUSSCGKSA-N 1 2 325.340 2.444 20 5 EEBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000287093278 463797068 /nfs/dbraw/zinc/79/70/68/463797068.db2.gz XHCAMCKTNKVNAO-ZDUSSCGKSA-N 1 2 325.340 2.444 20 5 EEBDLO Cc1c(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000171227450 463819955 /nfs/dbraw/zinc/81/99/55/463819955.db2.gz KDVMZDVOPOLCDR-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO Cc1c(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000171227450 463819960 /nfs/dbraw/zinc/81/99/60/463819960.db2.gz KDVMZDVOPOLCDR-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO C[C@@H](c1ccsc1)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000185462650 463828459 /nfs/dbraw/zinc/82/84/59/463828459.db2.gz QNQQLCPEPXGOPP-ZDUSSCGKSA-N 1 2 335.433 2.232 20 5 EEBDLO C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000292291776 464187544 /nfs/dbraw/zinc/18/75/44/464187544.db2.gz COBNUOKHTXRCMO-ONGXEEELSA-N 1 2 327.768 2.032 20 5 EEBDLO C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000292291776 464187550 /nfs/dbraw/zinc/18/75/50/464187550.db2.gz COBNUOKHTXRCMO-ONGXEEELSA-N 1 2 327.768 2.032 20 5 EEBDLO CC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000179817021 464193380 /nfs/dbraw/zinc/19/33/80/464193380.db2.gz ODMUJEOXUZPIAU-UHFFFAOYSA-N 1 2 343.330 2.250 20 5 EEBDLO CC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000179817021 464193382 /nfs/dbraw/zinc/19/33/82/464193382.db2.gz ODMUJEOXUZPIAU-UHFFFAOYSA-N 1 2 343.330 2.250 20 5 EEBDLO CC(C)Oc1cc(C(=O)NCCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000591075177 468403785 /nfs/dbraw/zinc/40/37/85/468403785.db2.gz UXRPFIMENVEQJZ-UHFFFAOYSA-N 1 2 332.360 2.088 20 5 EEBDLO Cc1nn(C)c(N2CCc3c([nH+]cn3-c3ccccc3)C2)c1[N+](=O)[O-] ZINC000272176691 464506569 /nfs/dbraw/zinc/50/65/69/464506569.db2.gz IDBQWYYUCAEENZ-UHFFFAOYSA-N 1 2 338.371 2.385 20 5 EEBDLO CCc1nnc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[nH]1 ZINC000294662222 464566448 /nfs/dbraw/zinc/56/64/48/464566448.db2.gz AMEYDGNSFXVWSP-UHFFFAOYSA-N 1 2 327.291 2.167 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c(F)c1 ZINC000285663359 464649441 /nfs/dbraw/zinc/64/94/41/464649441.db2.gz PGZASEYBTFKGIH-LLVKDONJSA-N 1 2 337.330 2.377 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c(F)c1 ZINC000285663359 464649446 /nfs/dbraw/zinc/64/94/46/464649446.db2.gz PGZASEYBTFKGIH-LLVKDONJSA-N 1 2 337.330 2.377 20 5 EEBDLO COC[C@@]1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000295540896 464876031 /nfs/dbraw/zinc/87/60/31/464876031.db2.gz SEBJVKRWWRQPDW-KRWDZBQOSA-N 1 2 344.371 2.279 20 5 EEBDLO Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1[N+](=O)[O-] ZINC000276336587 464893681 /nfs/dbraw/zinc/89/36/81/464893681.db2.gz QDUOOIBDLUOVJA-XJKSGUPXSA-N 1 2 344.371 2.287 20 5 EEBDLO Cc1c(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000357169749 465827972 /nfs/dbraw/zinc/82/79/72/465827972.db2.gz XJKIHOHKONPJJP-QGZVFWFLSA-N 1 2 347.415 2.163 20 5 EEBDLO Cc1c(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000357169749 465827980 /nfs/dbraw/zinc/82/79/80/465827980.db2.gz XJKIHOHKONPJJP-QGZVFWFLSA-N 1 2 347.415 2.163 20 5 EEBDLO CC1(C)CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330853496 465830538 /nfs/dbraw/zinc/83/05/38/465830538.db2.gz RIVLNTIPTNERBY-UHFFFAOYSA-N 1 2 326.418 2.491 20 5 EEBDLO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)C(F)(F)F ZINC000594018094 468463243 /nfs/dbraw/zinc/46/32/43/468463243.db2.gz RJCIHRNORGEQHV-GFCCVEGCSA-N 1 2 340.273 2.106 20 5 EEBDLO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H](O)C(F)(F)F ZINC000594018094 468463249 /nfs/dbraw/zinc/46/32/49/468463249.db2.gz RJCIHRNORGEQHV-GFCCVEGCSA-N 1 2 340.273 2.106 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331225386 465987174 /nfs/dbraw/zinc/98/71/74/465987174.db2.gz FAGRXRBYAUNTAO-LBPRGKRZSA-N 1 2 327.812 2.401 20 5 EEBDLO Cn1nnc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n1 ZINC000362957623 466145741 /nfs/dbraw/zinc/14/57/41/466145741.db2.gz KDRLHMMDZOIFLK-UHFFFAOYSA-N 1 2 330.373 2.137 20 5 EEBDLO CCc1[nH]nc(C(=O)Nc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000338589092 466241870 /nfs/dbraw/zinc/24/18/70/466241870.db2.gz KBDWOGKNKYIOAQ-UHFFFAOYSA-N 1 2 326.316 2.318 20 5 EEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000361780918 466282814 /nfs/dbraw/zinc/28/28/14/466282814.db2.gz AGQGRGDGQXSURP-CQSZACIVSA-N 1 2 343.387 2.477 20 5 EEBDLO Cc1[nH+]c2ccccn2c1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000358004463 466381893 /nfs/dbraw/zinc/38/18/93/466381893.db2.gz OVOGATISCCQXMH-UHFFFAOYSA-N 1 2 335.323 2.309 20 5 EEBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000340896678 466415394 /nfs/dbraw/zinc/41/53/94/466415394.db2.gz JICIAKOGUDQAHD-CYBMUJFWSA-N 1 2 330.344 2.032 20 5 EEBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000347268557 466521794 /nfs/dbraw/zinc/52/17/94/466521794.db2.gz MNKCDZICCBIMDS-LRDDRELGSA-N 1 2 344.371 2.468 20 5 EEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCOCC2(CCC2)C1 ZINC000363910890 466651127 /nfs/dbraw/zinc/65/11/27/466651127.db2.gz SDCODFQWPRVALQ-ZDUSSCGKSA-N 1 2 333.388 2.424 20 5 EEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCOCC2(CCC2)C1 ZINC000363910890 466651129 /nfs/dbraw/zinc/65/11/29/466651129.db2.gz SDCODFQWPRVALQ-ZDUSSCGKSA-N 1 2 333.388 2.424 20 5 EEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000451928004 467286457 /nfs/dbraw/zinc/28/64/57/467286457.db2.gz CTORYUWIWYRIOG-ZDUSSCGKSA-N 1 2 341.433 2.008 20 5 EEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000451928004 467286461 /nfs/dbraw/zinc/28/64/61/467286461.db2.gz CTORYUWIWYRIOG-ZDUSSCGKSA-N 1 2 341.433 2.008 20 5 EEBDLO C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000414036977 467365632 /nfs/dbraw/zinc/36/56/32/467365632.db2.gz OGPZNKPHXIALDC-OCCSQVGLSA-N 1 2 344.371 2.014 20 5 EEBDLO O=C(NCCCOCC1CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448597145 467595213 /nfs/dbraw/zinc/59/52/13/467595213.db2.gz IXXVVYLHHNZTOB-UHFFFAOYSA-N 1 2 344.371 2.327 20 5 EEBDLO C[C@H]1C[C@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000454730595 467612447 /nfs/dbraw/zinc/61/24/47/467612447.db2.gz SPBYFKFGJRCWHQ-FZMZJTMJSA-N 1 2 329.360 2.339 20 5 EEBDLO CO[C@H]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450414536 467846810 /nfs/dbraw/zinc/84/68/10/467846810.db2.gz YSLBXPWIUSPZGX-BBRMVZONSA-N 1 2 344.371 2.325 20 5 EEBDLO C[C@@H](CCO)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450558154 467870337 /nfs/dbraw/zinc/87/03/37/467870337.db2.gz FAGPWGLKEZYZDY-CQSZACIVSA-N 1 2 337.420 2.248 20 5 EEBDLO O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000493305904 467882644 /nfs/dbraw/zinc/88/26/44/467882644.db2.gz TWXSRDOUTVUFHA-DWMUBGRBSA-N 1 2 330.319 2.144 20 5 EEBDLO 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336.388 2.340 20 5 EEBDLO C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000933297827 676578007 /nfs/dbraw/zinc/57/80/07/676578007.db2.gz BDOYFBMUTMOFDH-KCXAZCMYSA-N 1 2 328.372 2.347 20 5 EEBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000865157980 1198108369 /nfs/dbraw/zinc/10/83/69/1198108369.db2.gz DNRMOGPCCBMBBL-ZDUSSCGKSA-N 1 2 332.335 2.337 20 5 EEBDLO O=[N+]([O-])c1cnn(CN2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000014191226 1225180982 /nfs/dbraw/zinc/18/09/82/1225180982.db2.gz JTFNGYOWTPYNKQ-UHFFFAOYSA-N 1 2 335.795 2.220 20 5 EEBDLO CC(C)[C@]1(C)CC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800866369 1234700894 /nfs/dbraw/zinc/70/08/94/1234700894.db2.gz ZSWDAWNWGROSAU-SFHVURJKSA-N 1 2 347.415 2.448 20 5 EEBDLO CC(C)[C@]1(C)CC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800866369 1234700899 /nfs/dbraw/zinc/70/08/99/1234700899.db2.gz ZSWDAWNWGROSAU-SFHVURJKSA-N 1 2 347.415 2.448 20 5 EEBDLO 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ZINC001102033386 1300173477 /nfs/dbraw/zinc/17/34/77/1300173477.db2.gz CKAKEBFBIMKEIO-UHFFFAOYSA-N 1 2 345.403 2.405 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CCc2[nH+]ccn2C)c1 ZINC001102054464 1300209231 /nfs/dbraw/zinc/20/92/31/1300209231.db2.gz HWWGQMHLLKTZIB-UHFFFAOYSA-N 1 2 345.403 2.140 20 5 EEBDLO C[N@@H+]1CCO[C@H](COc2cccc([N+](=O)[O-])c2Br)C1 ZINC001225761937 1301149144 /nfs/dbraw/zinc/14/91/44/1301149144.db2.gz URRZFJIWKWEKBL-VIFPVBQESA-N 1 2 331.166 2.067 20 5 EEBDLO C[N@H+]1CCO[C@H](COc2cccc([N+](=O)[O-])c2Br)C1 ZINC001225761937 1301149148 /nfs/dbraw/zinc/14/91/48/1301149148.db2.gz URRZFJIWKWEKBL-VIFPVBQESA-N 1 2 331.166 2.067 20 5 EEBDLO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC001226061611 1301249740 /nfs/dbraw/zinc/24/97/40/1301249740.db2.gz JPZXSMFSUJKLJF-CYBMUJFWSA-N 1 2 342.417 2.250 20 5 EEBDLO CC(C)[N@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC001226061611 1301249744 /nfs/dbraw/zinc/24/97/44/1301249744.db2.gz JPZXSMFSUJKLJF-CYBMUJFWSA-N 1 2 342.417 2.250 20 5 EEBDLO CC(C)(C)C(=O)C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226632701 1301486746 /nfs/dbraw/zinc/48/67/46/1301486746.db2.gz FTQDROPNTYCLIH-UHFFFAOYSA-N 1 2 347.415 2.291 20 5 EEBDLO CNc1cc(CNC(=O)NCCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC001227568337 1301893582 /nfs/dbraw/zinc/89/35/82/1301893582.db2.gz RLMIGGOCFABSQD-UHFFFAOYSA-N 1 2 329.360 2.073 20 5 EEBDLO COc1ccc(CC(=O)OCCCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC001122969499 1310439309 /nfs/dbraw/zinc/43/93/09/1310439309.db2.gz LGHFIPKSXCXRBB-UHFFFAOYSA-N 1 2 333.344 2.055 20 5 EEBDLO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(N2CCC(O)CC2)[nH+]c1 ZINC001249544033 1317112238 /nfs/dbraw/zinc/11/22/38/1317112238.db2.gz APQZQGUKWSWMMD-UHFFFAOYSA-N 1 2 329.360 2.398 20 5 EEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001254566997 1318124072 /nfs/dbraw/zinc/12/40/72/1318124072.db2.gz VSJGBYNMVRNWMQ-TZMCWYRMSA-N 1 2 326.418 2.035 20 5 EEBDLO 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20 5 EEBDLO CC[C@H](C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000592872980 468811547 /nfs/dbraw/zinc/81/15/47/468811547.db2.gz NQWICFUURMGQAQ-GXTWGEPZSA-N 1 2 346.387 2.307 20 5 EEBDLO CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593058240 468855640 /nfs/dbraw/zinc/85/56/40/468855640.db2.gz JZBQLYSBFDUNLV-CQSZACIVSA-N 1 2 347.415 2.373 20 5 EEBDLO CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593058240 468855641 /nfs/dbraw/zinc/85/56/41/468855641.db2.gz JZBQLYSBFDUNLV-CQSZACIVSA-N 1 2 347.415 2.373 20 5 EEBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000593103769 468873228 /nfs/dbraw/zinc/87/32/28/468873228.db2.gz OOFZLJDBDWDYRR-CQSZACIVSA-N 1 2 344.346 2.067 20 5 EEBDLO C[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCC2)O1 ZINC000584527961 468892152 /nfs/dbraw/zinc/89/21/52/468892152.db2.gz SACXMABCHBFBBA-CJNGLKHVSA-N 1 2 345.399 2.344 20 5 EEBDLO 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338.371 2.199 20 5 EEBDLO NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602450946 469320787 /nfs/dbraw/zinc/32/07/87/469320787.db2.gz CPWVJCSZGRQCAT-UHFFFAOYSA-N 1 2 346.309 2.200 20 5 EEBDLO NC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602450946 469320791 /nfs/dbraw/zinc/32/07/91/469320791.db2.gz CPWVJCSZGRQCAT-UHFFFAOYSA-N 1 2 346.309 2.200 20 5 EEBDLO COCC[N@H+](C)Cc1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603252576 469325487 /nfs/dbraw/zinc/32/54/87/469325487.db2.gz VLFRAZNPNPRGCB-CYBMUJFWSA-N 1 2 333.392 2.182 20 5 EEBDLO COCC[N@@H+](C)Cc1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603252576 469325491 /nfs/dbraw/zinc/32/54/91/469325491.db2.gz VLFRAZNPNPRGCB-CYBMUJFWSA-N 1 2 333.392 2.182 20 5 EEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1nnc2n1CCC2 ZINC000602511688 469344293 /nfs/dbraw/zinc/34/42/93/469344293.db2.gz QCSNXZXBDQWQDI-UHFFFAOYSA-N 1 2 341.293 2.441 20 5 EEBDLO CO[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000619154706 469539564 /nfs/dbraw/zinc/53/95/64/469539564.db2.gz TZBQTXCIZFHQIT-MRXNPFEDSA-N 1 2 349.431 2.432 20 5 EEBDLO COc1cc(C)nc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000609273471 469911382 /nfs/dbraw/zinc/91/13/82/469911382.db2.gz PLAKUUYIPSBTKP-UHFFFAOYSA-N 1 2 343.387 2.024 20 5 EEBDLO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000733884591 577262843 /nfs/dbraw/zinc/26/28/43/577262843.db2.gz IJGYEEDRVDCQNC-UHFFFAOYSA-N 1 2 341.371 2.089 20 5 EEBDLO CC[C@]1(O)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000879311082 1200990221 /nfs/dbraw/zinc/99/02/21/1200990221.db2.gz RASCIPSCULBVQK-HNNXBMFYSA-N 1 2 341.795 2.424 20 5 EEBDLO CC[C@]1(O)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000879311082 1200990224 /nfs/dbraw/zinc/99/02/24/1200990224.db2.gz RASCIPSCULBVQK-HNNXBMFYSA-N 1 2 341.795 2.424 20 5 EEBDLO C[C@@H]1C[N@H+](CCOC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000800219471 1202222565 /nfs/dbraw/zinc/22/25/65/1202222565.db2.gz LJUXGCQQORXIHR-LLVKDONJSA-N 1 2 342.779 2.055 20 5 EEBDLO C[C@@H]1C[N@@H+](CCOC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000800219471 1202222569 /nfs/dbraw/zinc/22/25/69/1202222569.db2.gz LJUXGCQQORXIHR-LLVKDONJSA-N 1 2 342.779 2.055 20 5 EEBDLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930660001 1206573515 /nfs/dbraw/zinc/57/35/15/1206573515.db2.gz CHWCTHOSOHIBFP-DGCLKSJQSA-N 1 2 345.193 2.251 20 5 EEBDLO CC[N@@H+]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000778393167 1208231335 /nfs/dbraw/zinc/23/13/35/1208231335.db2.gz AYELQPZDLITUJU-LLVKDONJSA-N 1 2 327.331 2.239 20 5 EEBDLO CC[N@H+]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000778393167 1208231336 /nfs/dbraw/zinc/23/13/36/1208231336.db2.gz AYELQPZDLITUJU-LLVKDONJSA-N 1 2 327.331 2.239 20 5 EEBDLO CC(C)Cc1ccc(C[NH+]2CC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001042710733 1232143976 /nfs/dbraw/zinc/14/39/76/1232143976.db2.gz HFEVPFONZGTUNE-QZTJIDSGSA-N 1 2 345.443 2.193 20 5 EEBDLO C/C=C(/C)C(=O)NCC[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001096281019 1237033762 /nfs/dbraw/zinc/03/37/62/1237033762.db2.gz PXEFIEVSXFPKRK-TVPGTPATSA-N 1 2 346.431 2.108 20 5 EEBDLO O=C(Cc1[nH]cc[nH+]1)N1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001057511373 1244065496 /nfs/dbraw/zinc/06/54/96/1244065496.db2.gz BGRDNBBDZTVMDM-UHFFFAOYSA-N 1 2 343.387 2.211 20 5 EEBDLO C[N@@H+]1CC[C@H](Oc2cc(O)cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234741504 1305015211 /nfs/dbraw/zinc/01/52/11/1305015211.db2.gz IUPCOWJMISGOSV-NSHDSACASA-N 1 2 327.336 2.440 20 5 EEBDLO C[N@H+]1CC[C@H](Oc2cc(O)cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234741504 1305015217 /nfs/dbraw/zinc/01/52/17/1305015217.db2.gz IUPCOWJMISGOSV-NSHDSACASA-N 1 2 327.336 2.440 20 5 EEBDLO CN(C)C(=O)OC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000852095474 1291990902 /nfs/dbraw/zinc/99/09/02/1291990902.db2.gz OFMAUOMFASFRLW-UHFFFAOYSA-N 1 2 325.340 2.397 20 5 EEBDLO CCc1noc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000858977042 1294281794 /nfs/dbraw/zinc/28/17/94/1294281794.db2.gz VLAIYEGGMMQSIC-UHFFFAOYSA-N 1 2 343.299 2.083 20 5 EEBDLO COCCC1CC[NH+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000863269595 1296187232 /nfs/dbraw/zinc/18/72/32/1296187232.db2.gz JERVLNJNEWTUFP-UHFFFAOYSA-N 1 2 335.360 2.209 20 5 EEBDLO O=C(Cc1[nH]cc[nH+]1)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111839580 1303977437 /nfs/dbraw/zinc/97/74/37/1303977437.db2.gz GARBDABDMKEGDR-UHFFFAOYSA-N 1 2 329.360 2.011 20 5 EEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000784006037 1304398271 /nfs/dbraw/zinc/39/82/71/1304398271.db2.gz CRILVGCROHHTFU-ZDUSSCGKSA-N 1 2 347.371 2.209 20 5 EEBDLO O=[N+]([O-])c1cc(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)ccn1 ZINC001233858332 1304618449 /nfs/dbraw/zinc/61/84/49/1304618449.db2.gz USEHWZUBNKEOCW-MRXNPFEDSA-N 1 2 329.356 2.270 20 5 EEBDLO O=[N+]([O-])c1cc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)ccn1 ZINC001233858332 1304618460 /nfs/dbraw/zinc/61/84/60/1304618460.db2.gz USEHWZUBNKEOCW-MRXNPFEDSA-N 1 2 329.356 2.270 20 5 EEBDLO Cc1cc([N+](=O)[O-])c(NC[C@H]([NH3+])C(=O)OC(C)(C)C)nc1Cl ZINC001162850067 1320973910 /nfs/dbraw/zinc/97/39/10/1320973910.db2.gz SVWAEGIITNXYAW-QMMMGPOBSA-N 1 2 330.772 2.033 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831462929 1314592632 /nfs/dbraw/zinc/59/26/32/1314592632.db2.gz LQDGFSIRXYDSKM-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO COc1cccc(C(=O)OCC2CN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000842885873 1315792074 /nfs/dbraw/zinc/79/20/74/1315792074.db2.gz DJVNVWVHGMRACH-UHFFFAOYSA-N 1 2 343.339 2.292 20 5 EEBDLO COC(=O)CC[C@@H]1COCC[N@@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254569798 1318125202 /nfs/dbraw/zinc/12/52/02/1318125202.db2.gz LBIMOXQIQWTSLN-DZGCQCFKSA-N 1 2 336.388 2.180 20 5 EEBDLO COC(=O)CC[C@@H]1COCC[N@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254569798 1318125211 /nfs/dbraw/zinc/12/52/11/1318125211.db2.gz LBIMOXQIQWTSLN-DZGCQCFKSA-N 1 2 336.388 2.180 20 5 EEBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001159303030 1319728418 /nfs/dbraw/zinc/72/84/18/1319728418.db2.gz ZFICIGHNVBHSGS-UHFFFAOYSA-N 1 2 347.762 2.497 20 5 EEBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)n1 ZINC001160726608 1320250379 /nfs/dbraw/zinc/25/03/79/1320250379.db2.gz ZYIFJESEHGJMOH-QWRGUYRKSA-N 1 2 341.799 2.012 20 5 EEBDLO O=[N+]([O-])c1c(Br)ccnc1NCCCn1cc[nH+]c1 ZINC001161687998 1320587606 /nfs/dbraw/zinc/58/76/06/1320587606.db2.gz GFCXBGCXFBDTOL-UHFFFAOYSA-N 1 2 326.154 2.451 20 5 EEBDLO COc1nc(Cl)c(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)n1C ZINC001308252983 1331578323 /nfs/dbraw/zinc/57/83/23/1331578323.db2.gz XFDUWQNXIIFIGA-UHFFFAOYSA-N 1 2 340.767 2.289 20 5 EEBDLO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609141301 1351859222 /nfs/dbraw/zinc/85/92/22/1351859222.db2.gz JZTXJWPFKCIHAA-LLVKDONJSA-N 1 2 339.359 2.363 20 5 EEBDLO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609141301 1351859224 /nfs/dbraw/zinc/85/92/24/1351859224.db2.gz JZTXJWPFKCIHAA-LLVKDONJSA-N 1 2 339.359 2.363 20 5 EEBDLO CC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H](CC)CO1 ZINC001604107132 1350859617 /nfs/dbraw/zinc/85/96/17/1350859617.db2.gz CIXBNXRMIRWGRS-ZIAGYGMSSA-N 1 2 346.391 2.164 20 5 EEBDLO CC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H](CC)CO1 ZINC001604107132 1350859619 /nfs/dbraw/zinc/85/96/19/1350859619.db2.gz CIXBNXRMIRWGRS-ZIAGYGMSSA-N 1 2 346.391 2.164 20 5 EEBDLO Cc1c(Br)cnc(O[C@H]2C[NH2+]CC2(F)F)c1[N+](=O)[O-] ZINC001218236448 761804842 /nfs/dbraw/zinc/80/48/42/761804842.db2.gz PYSWDJAKQTWBNZ-ZETCQYMHSA-N 1 2 338.108 2.047 20 5 EEBDLO Cc1noc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)c1C ZINC001031756567 775041643 /nfs/dbraw/zinc/04/16/43/775041643.db2.gz KQTPDGFWJPMCKK-UHFFFAOYSA-N 1 2 344.371 2.061 20 5 EEBDLO O=C(CCc1[nH]cc[nH+]1)NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001110124407 793351548 /nfs/dbraw/zinc/35/15/48/793351548.db2.gz MNNPVNUSILEFQQ-UHFFFAOYSA-N 1 2 347.350 2.151 20 5 EEBDLO Cc1cc(NCCCNC(=O)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC001094470312 796297599 /nfs/dbraw/zinc/29/75/99/796297599.db2.gz WPIBXPNSVMETIC-UHFFFAOYSA-N 1 2 345.403 2.498 20 5 EEBDLO CN(C)C1C[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173009880 797195491 /nfs/dbraw/zinc/19/54/91/797195491.db2.gz IUTQYLUFPLPYOL-UHFFFAOYSA-N 1 2 340.374 2.088 20 5 EEBDLO C[N@@H+]1CCO[C@@H](COc2cccc(Br)c2[N+](=O)[O-])C1 ZINC001230326753 798525581 /nfs/dbraw/zinc/52/55/81/798525581.db2.gz SVOMUDKLNZVGIM-SECBINFHSA-N 1 2 331.166 2.067 20 5 EEBDLO C[N@H+]1CCO[C@@H](COc2cccc(Br)c2[N+](=O)[O-])C1 ZINC001230326753 798525582 /nfs/dbraw/zinc/52/55/82/798525582.db2.gz SVOMUDKLNZVGIM-SECBINFHSA-N 1 2 331.166 2.067 20 5 EEBDLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975252 803558244 /nfs/dbraw/zinc/55/82/44/803558244.db2.gz VKVZNDWGWZHJPY-BPLDGKMQSA-N 1 2 340.807 2.459 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001109490727 805550226 /nfs/dbraw/zinc/55/02/26/805550226.db2.gz LTMCINXPBSWLBF-UHFFFAOYSA-N 1 2 345.403 2.438 20 5 EEBDLO CC[N@H+](CCS(C)(=O)=O)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000787407288 807118963 /nfs/dbraw/zinc/11/89/63/807118963.db2.gz YMCSSHIISZLQPY-RAXLEYEMSA-N 1 2 326.418 2.365 20 5 EEBDLO CC[N@@H+](CCS(C)(=O)=O)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000787407288 807118965 /nfs/dbraw/zinc/11/89/65/807118965.db2.gz YMCSSHIISZLQPY-RAXLEYEMSA-N 1 2 326.418 2.365 20 5 EEBDLO Cc1nn(CCC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c(C)c1[N+](=O)[O-] ZINC000102344672 219196539 /nfs/dbraw/zinc/19/65/39/219196539.db2.gz MXTVKSCPVYFECU-ZDUSSCGKSA-N 1 2 346.391 2.275 20 5 EEBDLO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000027765703 201063829 /nfs/dbraw/zinc/06/38/29/201063829.db2.gz YFFLOMVNIWBKOI-NSHDSACASA-N 1 2 331.376 2.075 20 5 EEBDLO CN(CC[C@@H]1CCCO1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447815354 242319611 /nfs/dbraw/zinc/31/96/11/242319611.db2.gz FGPJCLNVPGONHI-INIZCTEOSA-N 1 2 349.431 2.432 20 5 EEBDLO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000448956753 242465257 /nfs/dbraw/zinc/46/52/57/242465257.db2.gz PRBYGUZLMMSWLH-JSGCOSHPSA-N 1 2 344.371 2.420 20 5 EEBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3nnnn3C3CC3)C2)cc1 ZINC000451558364 243158987 /nfs/dbraw/zinc/15/89/87/243158987.db2.gz GDUAAFDCYZNIPJ-CYBMUJFWSA-N 1 2 328.376 2.296 20 5 EEBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3nnnn3C3CC3)C2)cc1 ZINC000451558364 243158992 /nfs/dbraw/zinc/15/89/92/243158992.db2.gz GDUAAFDCYZNIPJ-CYBMUJFWSA-N 1 2 328.376 2.296 20 5 EEBDLO CC1(C)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000451756983 243246655 /nfs/dbraw/zinc/24/66/55/243246655.db2.gz HQANGDKFUHBPFO-QFIPXVFZSA-N 1 2 326.418 2.207 20 5 EEBDLO CC1(C)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000451756983 243246658 /nfs/dbraw/zinc/24/66/58/243246658.db2.gz HQANGDKFUHBPFO-QFIPXVFZSA-N 1 2 326.418 2.207 20 5 EEBDLO Cc1cc(NCC2(O)CCOCC2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000071899592 203142925 /nfs/dbraw/zinc/14/29/25/203142925.db2.gz BTOOTQBUOGKQNE-UHFFFAOYSA-N 1 2 344.371 2.314 20 5 EEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000093433983 203250921 /nfs/dbraw/zinc/25/09/21/203250921.db2.gz ZWGURCJFOMNYJH-MRVPVSSYSA-N 1 2 326.154 2.449 20 5 EEBDLO C[C@H]([C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)[NH+]1CCOCC1 ZINC000104659716 204114056 /nfs/dbraw/zinc/11/40/56/204114056.db2.gz JVCOMHFBNXLRAI-NWDGAFQWSA-N 1 2 348.403 2.001 20 5 EEBDLO O=C(NCCn1cc[nH+]c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000160752856 206311563 /nfs/dbraw/zinc/31/15/63/206311563.db2.gz UFBHPFHVDXZHJK-UHFFFAOYSA-N 1 2 329.360 2.166 20 5 EEBDLO CO[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000266126424 248115596 /nfs/dbraw/zinc/11/55/96/248115596.db2.gz VHLHBUHPYQIIFH-XJKSGUPXSA-N 1 2 344.371 2.468 20 5 EEBDLO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccccc3Cl)CC2)n1 ZINC000176189836 207198682 /nfs/dbraw/zinc/19/86/82/207198682.db2.gz HEQCEYKXCMVHGG-UHFFFAOYSA-N 1 2 335.795 2.267 20 5 EEBDLO CCN1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C[C@H]1c1[nH]cc[nH+]1 ZINC000360007038 285338043 /nfs/dbraw/zinc/33/80/43/285338043.db2.gz MXHDHGSTYABMNP-HNNXBMFYSA-N 1 2 342.403 2.169 20 5 EEBDLO CO[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1C ZINC000450751130 286062472 /nfs/dbraw/zinc/06/24/72/286062472.db2.gz DEYPYYCLDSBQIK-KDOFPFPSSA-N 1 2 349.431 2.288 20 5 EEBDLO C[C@H]1CC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000130630031 292376414 /nfs/dbraw/zinc/37/64/14/292376414.db2.gz GBVBZPRVLWNFOU-RYUDHWBXSA-N 1 2 344.371 2.466 20 5 EEBDLO CCCN(CCC)C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000066865283 159004653 /nfs/dbraw/zinc/00/46/53/159004653.db2.gz KEQJPGWRGAUROL-UHFFFAOYSA-N 1 2 348.447 2.365 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193851134 160188338 /nfs/dbraw/zinc/18/83/38/160188338.db2.gz OKLMUKPVRKWKAC-CYBMUJFWSA-N 1 2 343.387 2.444 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193851134 160188339 /nfs/dbraw/zinc/18/83/39/160188339.db2.gz OKLMUKPVRKWKAC-CYBMUJFWSA-N 1 2 343.387 2.444 20 5 EEBDLO Cc1c(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000337505946 160657571 /nfs/dbraw/zinc/65/75/71/160657571.db2.gz FJWJINYDLQYEFD-CQSZACIVSA-N 1 2 326.418 2.302 20 5 EEBDLO Cc1c(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000337505946 160657573 /nfs/dbraw/zinc/65/75/73/160657573.db2.gz FJWJINYDLQYEFD-CQSZACIVSA-N 1 2 326.418 2.302 20 5 EEBDLO CN(C)c1[nH]c2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2[nH+]1 ZINC000344314586 161216650 /nfs/dbraw/zinc/21/66/50/161216650.db2.gz LICBVJFUJOROOC-UHFFFAOYSA-N 1 2 340.343 2.372 20 5 EEBDLO CC(C)c1ccc(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000352434271 162134088 /nfs/dbraw/zinc/13/40/88/162134088.db2.gz UKKLNKZMTFIMJF-ZDUSSCGKSA-N 1 2 335.404 2.169 20 5 EEBDLO CC(C)c1ccc(C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000352434271 162134089 /nfs/dbraw/zinc/13/40/89/162134089.db2.gz UKKLNKZMTFIMJF-ZDUSSCGKSA-N 1 2 335.404 2.169 20 5 EEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353026509 162399944 /nfs/dbraw/zinc/39/99/44/162399944.db2.gz VSRMGFUJFYYVPP-MNOVXSKESA-N 1 2 343.330 2.483 20 5 EEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353026509 162399947 /nfs/dbraw/zinc/39/99/47/162399947.db2.gz VSRMGFUJFYYVPP-MNOVXSKESA-N 1 2 343.330 2.483 20 5 EEBDLO O=[N+]([O-])c1ccc(CN2CCN(Cc3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000360014263 164216856 /nfs/dbraw/zinc/21/68/56/164216856.db2.gz CPTLDZAOMWHBNH-UHFFFAOYSA-N 1 2 335.795 2.289 20 5 EEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nccn3C(F)F)CC2)n1 ZINC000369669556 166309493 /nfs/dbraw/zinc/30/94/93/166309493.db2.gz BMKYQDWZMRRCIE-UHFFFAOYSA-N 1 2 326.307 2.220 20 5 EEBDLO O=[N+]([O-])c1ccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)cc1 ZINC000277280999 269147027 /nfs/dbraw/zinc/14/70/27/269147027.db2.gz AWHLZBBQVAJGPM-HNNXBMFYSA-N 1 2 343.387 2.348 20 5 EEBDLO O=[N+]([O-])c1ccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)cc1 ZINC000277280999 269147028 /nfs/dbraw/zinc/14/70/28/269147028.db2.gz AWHLZBBQVAJGPM-HNNXBMFYSA-N 1 2 343.387 2.348 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000279290464 269267822 /nfs/dbraw/zinc/26/78/22/269267822.db2.gz LMPQNLIABISYSC-UHFFFAOYSA-N 1 2 335.404 2.086 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)c1 ZINC000279290464 269267824 /nfs/dbraw/zinc/26/78/24/269267824.db2.gz LMPQNLIABISYSC-UHFFFAOYSA-N 1 2 335.404 2.086 20 5 EEBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000288832471 275087583 /nfs/dbraw/zinc/08/75/83/275087583.db2.gz JAHJTXXTNCNWSX-UHFFFAOYSA-N 1 2 345.403 2.147 20 5 EEBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000288899126 275090382 /nfs/dbraw/zinc/09/03/82/275090382.db2.gz NRHYWHUWLDOSFK-CYBMUJFWSA-N 1 2 344.419 2.398 20 5 EEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] 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345.403 2.265 20 5 EEBDLO Cc1nc(C)n(C[C@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000331730657 466222112 /nfs/dbraw/zinc/22/21/12/466222112.db2.gz PEUIKPHVDAQFTO-SWLSCSKDSA-N 1 2 345.403 2.265 20 5 EEBDLO Cc1c(Br)c(N(C)Cc2[nH+]ccn2C)ncc1[N+](=O)[O-] ZINC000347398791 466610692 /nfs/dbraw/zinc/61/06/92/466610692.db2.gz IRTUYPUIYKITGA-UHFFFAOYSA-N 1 2 340.181 2.431 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000374641215 466702708 /nfs/dbraw/zinc/70/27/08/466702708.db2.gz ZRNLZBNANGXMQW-GFCCVEGCSA-N 1 2 344.371 2.357 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000365246903 466756613 /nfs/dbraw/zinc/75/66/13/466756613.db2.gz KBCAEMKTXSJWGS-UHFFFAOYSA-N 1 2 344.371 2.109 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000365521155 466845081 /nfs/dbraw/zinc/84/50/81/466845081.db2.gz IDWPFPZYQOCPEG-CQSZACIVSA-N 1 2 328.372 2.277 20 5 EEBDLO COc1cc(C[N@@H+]2CCCc3c(cnn3C)C2)c([N+](=O)[O-])cc1F 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Cc1cn2ccc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000598468535 468875678 /nfs/dbraw/zinc/87/56/78/468875678.db2.gz HHZYLXWOWRCXSB-UHFFFAOYSA-N 1 2 328.332 2.121 20 5 EEBDLO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000562542036 468985365 /nfs/dbraw/zinc/98/53/65/468985365.db2.gz VTRJEMQLETWSNE-ZDUSSCGKSA-N 1 2 343.387 2.058 20 5 EEBDLO O=C1CCCN1[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000562542036 468985372 /nfs/dbraw/zinc/98/53/72/468985372.db2.gz VTRJEMQLETWSNE-ZDUSSCGKSA-N 1 2 343.387 2.058 20 5 EEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598947700 469062160 /nfs/dbraw/zinc/06/21/60/469062160.db2.gz LEKVMGSLXJIAFT-RYUDHWBXSA-N 1 2 346.412 2.403 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000602872760 469132305 /nfs/dbraw/zinc/13/23/05/469132305.db2.gz HPCSLOWPHCJALU-UHFFFAOYSA-N 1 2 338.408 2.296 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000602872760 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EEBDLO COc1cc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596430255 469263749 /nfs/dbraw/zinc/26/37/49/469263749.db2.gz KVXOAUACQODPRJ-GHMZBOCLSA-N 1 2 327.356 2.264 20 5 EEBDLO C[C@@H](O)C1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000615996162 469351077 /nfs/dbraw/zinc/35/10/77/469351077.db2.gz KNEHPUPQGHYWBP-CQSZACIVSA-N 1 2 349.431 2.024 20 5 EEBDLO O=C(C[N@H+]1CCc2ccc(O)cc2CC1)Nc1ccccc1[N+](=O)[O-] ZINC000608866670 469883258 /nfs/dbraw/zinc/88/32/58/469883258.db2.gz OVLKCFNFUMBTHK-UHFFFAOYSA-N 1 2 341.367 2.340 20 5 EEBDLO O=C(C[N@@H+]1CCc2ccc(O)cc2CC1)Nc1ccccc1[N+](=O)[O-] ZINC000608866670 469883262 /nfs/dbraw/zinc/88/32/62/469883262.db2.gz OVLKCFNFUMBTHK-UHFFFAOYSA-N 1 2 341.367 2.340 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609131835 469893485 /nfs/dbraw/zinc/89/34/85/469893485.db2.gz YITMZPHORJPXQU-LBPRGKRZSA-N 1 2 330.344 2.277 20 5 EEBDLO COc1ccc(CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609131200 469893532 /nfs/dbraw/zinc/89/35/32/469893532.db2.gz KAFHLIXFSGWKBA-AWEZNQCLSA-N 1 2 344.371 2.206 20 5 EEBDLO CCOCCO[C@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184268644 528838112 /nfs/dbraw/zinc/83/81/12/528838112.db2.gz PPAIGUHADGAXGA-ZDUSSCGKSA-N 1 2 342.367 2.370 20 5 EEBDLO CCOCCO[C@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184268644 528838118 /nfs/dbraw/zinc/83/81/18/528838118.db2.gz PPAIGUHADGAXGA-ZDUSSCGKSA-N 1 2 342.367 2.370 20 5 EEBDLO C[C@H]1C[N@H+](CCNc2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000765488707 577501872 /nfs/dbraw/zinc/50/18/72/577501872.db2.gz JISSARKXWAEOJB-JTQLQIEISA-N 1 2 344.209 2.490 20 5 EEBDLO C[C@H]1C[N@@H+](CCNc2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000765488707 577501873 /nfs/dbraw/zinc/50/18/73/577501873.db2.gz JISSARKXWAEOJB-JTQLQIEISA-N 1 2 344.209 2.490 20 5 EEBDLO COc1cc(C[N@@H+]2CCCC[C@H]2C2OCCO2)c([N+](=O)[O-])cc1F ZINC000766756284 577524362 /nfs/dbraw/zinc/52/43/62/577524362.db2.gz IZZQESDZLSSBBU-ZDUSSCGKSA-N 1 2 340.351 2.470 20 5 EEBDLO 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/nfs/dbraw/zinc/64/23/60/462642360.db2.gz LPQAOLPPKDFZJK-UHFFFAOYSA-N 1 2 346.431 2.259 20 5 EEBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000046228185 462662207 /nfs/dbraw/zinc/66/22/07/462662207.db2.gz ZZHFBRAIUNXWIZ-OAHLLOKOSA-N 1 2 346.431 2.118 20 5 EEBDLO C[C@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000046269003 462666040 /nfs/dbraw/zinc/66/60/40/462666040.db2.gz TVXYNYVUAHGMLI-CYBMUJFWSA-N 1 2 349.431 2.343 20 5 EEBDLO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000007386428 462733782 /nfs/dbraw/zinc/73/37/82/462733782.db2.gz IRRKNPSCYGSUPE-GFCCVEGCSA-N 1 2 349.387 2.197 20 5 EEBDLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000007436565 462734840 /nfs/dbraw/zinc/73/48/40/462734840.db2.gz OSAQKXFNHITDOJ-QWHCGFSZSA-N 1 2 349.387 2.197 20 5 EEBDLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000007436565 462734843 /nfs/dbraw/zinc/73/48/43/462734843.db2.gz OSAQKXFNHITDOJ-QWHCGFSZSA-N 1 2 349.387 2.197 20 5 EEBDLO Cc1ccc2[nH+]c(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cn2c1 ZINC000049875618 462978351 /nfs/dbraw/zinc/97/83/51/462978351.db2.gz NQWDLHGDRACXCY-UHFFFAOYSA-N 1 2 336.307 2.347 20 5 EEBDLO COc1ccc(CN2CC[NH+](Cc3cc(C)no3)CC2)cc1[N+](=O)[O-] ZINC000051153945 463022883 /nfs/dbraw/zinc/02/28/83/463022883.db2.gz BDWRDORNWVZICG-UHFFFAOYSA-N 1 2 346.387 2.218 20 5 EEBDLO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000093613144 463043401 /nfs/dbraw/zinc/04/34/01/463043401.db2.gz RMNHIIJJKDRGIV-CVEARBPZSA-N 1 2 336.388 2.052 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3ccc(C)cc3[nH+]2)c1 ZINC000067806497 463053740 /nfs/dbraw/zinc/05/37/40/463053740.db2.gz VZSLRPORSIVITK-UHFFFAOYSA-N 1 2 340.339 2.490 20 5 EEBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000120983110 463062587 /nfs/dbraw/zinc/06/25/87/463062587.db2.gz PKBGKCUAWKHBEF-UHFFFAOYSA-N 1 2 335.385 2.389 20 5 EEBDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000026191995 463152772 /nfs/dbraw/zinc/15/27/72/463152772.db2.gz BLASCUUFUOYVNV-CQSZACIVSA-N 1 2 348.447 2.410 20 5 EEBDLO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])no1 ZINC000027887865 463206963 /nfs/dbraw/zinc/20/69/63/463206963.db2.gz BTONBYGTOGKJGV-AWEZNQCLSA-N 1 2 330.344 2.327 20 5 EEBDLO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])no1 ZINC000027887865 463206965 /nfs/dbraw/zinc/20/69/65/463206965.db2.gz BTONBYGTOGKJGV-AWEZNQCLSA-N 1 2 330.344 2.327 20 5 EEBDLO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000069131611 463211868 /nfs/dbraw/zinc/21/18/68/463211868.db2.gz DQKSPKXVZRMYIX-UHFFFAOYSA-N 1 2 346.431 2.219 20 5 EEBDLO Cn1ccnc1[C@H]([NH2+]CCOCC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000276692510 463720398 /nfs/dbraw/zinc/72/03/98/463720398.db2.gz SEMQAPXQZBLQRY-CQSZACIVSA-N 1 2 340.330 2.289 20 5 EEBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000286993877 463766269 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343.387 2.009 20 5 EEBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000171369764 463852079 /nfs/dbraw/zinc/85/20/79/463852079.db2.gz GDGKLPDYPLTCAQ-AWEZNQCLSA-N 1 2 343.387 2.009 20 5 EEBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000171369764 463852085 /nfs/dbraw/zinc/85/20/85/463852085.db2.gz GDGKLPDYPLTCAQ-AWEZNQCLSA-N 1 2 343.387 2.009 20 5 EEBDLO COC(=O)N1CC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000178170602 463855959 /nfs/dbraw/zinc/85/59/59/463855959.db2.gz LCUUBNWEDUGDIM-UHFFFAOYSA-N 1 2 348.384 2.259 20 5 EEBDLO COc1ccc(C[NH2+]Cc2n[nH]cc2Br)cc1[N+](=O)[O-] ZINC000523390546 468391232 /nfs/dbraw/zinc/39/12/32/468391232.db2.gz QTIHXUVIXHXTDK-UHFFFAOYSA-N 1 2 341.165 2.379 20 5 EEBDLO C[C@H]1CCSCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279221063 464068319 /nfs/dbraw/zinc/06/83/19/464068319.db2.gz IBMKOVCZRGDLBQ-LBPRGKRZSA-N 1 2 344.458 2.196 20 5 EEBDLO C[C@H]1CCSCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000279221063 464068324 /nfs/dbraw/zinc/06/83/24/464068324.db2.gz IBMKOVCZRGDLBQ-LBPRGKRZSA-N 1 2 344.458 2.196 20 5 EEBDLO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279235582 464073781 /nfs/dbraw/zinc/07/37/81/464073781.db2.gz FIXJJTFLDTYNMO-BLLLJJGKSA-N 1 2 333.388 2.057 20 5 EEBDLO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279235582 464073786 /nfs/dbraw/zinc/07/37/86/464073786.db2.gz FIXJJTFLDTYNMO-BLLLJJGKSA-N 1 2 333.388 2.057 20 5 EEBDLO C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172575621 464109567 /nfs/dbraw/zinc/10/95/67/464109567.db2.gz HRESRXPXRMWWCY-VXGBXAGGSA-N 1 2 330.344 2.030 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187423030 464128129 /nfs/dbraw/zinc/12/81/29/464128129.db2.gz APASIBMKXJLCNH-DOMZBBRYSA-N 1 2 335.404 2.468 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000187423030 464128133 /nfs/dbraw/zinc/12/81/33/464128133.db2.gz APASIBMKXJLCNH-DOMZBBRYSA-N 1 2 335.404 2.468 20 5 EEBDLO NC(=O)c1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000270222460 464224433 /nfs/dbraw/zinc/22/44/33/464224433.db2.gz FUHGFVWAHJMVKI-UHFFFAOYSA-N 1 2 329.278 2.388 20 5 EEBDLO NC(=O)c1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000270222460 464224439 /nfs/dbraw/zinc/22/44/39/464224439.db2.gz FUHGFVWAHJMVKI-UHFFFAOYSA-N 1 2 329.278 2.388 20 5 EEBDLO CCCc1n[nH]c(C(=O)NCc2cn3cc(C)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000264646043 464408405 /nfs/dbraw/zinc/40/84/05/464408405.db2.gz DATPBJUXHOVOHM-UHFFFAOYSA-N 1 2 342.359 2.157 20 5 EEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285011737 464425139 /nfs/dbraw/zinc/42/51/39/464425139.db2.gz IQRKTSWYLRULTJ-CYBMUJFWSA-N 1 2 331.376 2.064 20 5 EEBDLO Cc1noc(C)c1C[NH+]1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000265286804 464514551 /nfs/dbraw/zinc/51/45/51/464514551.db2.gz XHSJVCUSNAHMGP-UHFFFAOYSA-N 1 2 331.376 2.225 20 5 EEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000266734688 464803525 /nfs/dbraw/zinc/80/35/25/464803525.db2.gz DKQKCEPZZSKDJB-UHFFFAOYSA-N 1 2 343.387 2.381 20 5 EEBDLO CS[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000295542650 464875488 /nfs/dbraw/zinc/87/54/88/464875488.db2.gz LEKFEABZPOVOIO-GFCCVEGCSA-N 1 2 332.385 2.358 20 5 EEBDLO C[N@H+](CC(=O)NCc1ccccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000192637221 464965627 /nfs/dbraw/zinc/96/56/27/464965627.db2.gz UVWNITBJYWLFGK-UHFFFAOYSA-N 1 2 331.347 2.482 20 5 EEBDLO C[N@@H+](CC(=O)NCc1ccccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000192637221 464965630 /nfs/dbraw/zinc/96/56/30/464965630.db2.gz UVWNITBJYWLFGK-UHFFFAOYSA-N 1 2 331.347 2.482 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccs1 ZINC000184595866 465003284 /nfs/dbraw/zinc/00/32/84/465003284.db2.gz MDFFMGPPSJDBBP-LBPRGKRZSA-N 1 2 335.385 2.395 20 5 EEBDLO C[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cnn(C)c1 ZINC000348307421 465542833 /nfs/dbraw/zinc/54/28/33/465542833.db2.gz IMFIXVOQAVWOBS-JTQLQIEISA-N 1 2 328.332 2.229 20 5 EEBDLO Cc1c(NC(=O)[C@@H](C)[N@H+](C)Cc2ccnn2C)cccc1[N+](=O)[O-] ZINC000348364002 465569286 /nfs/dbraw/zinc/56/92/86/465569286.db2.gz FEKHRNZUOVMEBW-GFCCVEGCSA-N 1 2 331.376 2.096 20 5 EEBDLO Cc1c(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccnn2C)cccc1[N+](=O)[O-] ZINC000348364002 465569287 /nfs/dbraw/zinc/56/92/87/465569287.db2.gz FEKHRNZUOVMEBW-GFCCVEGCSA-N 1 2 331.376 2.096 20 5 EEBDLO Cc1c[nH+]ccc1NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000353293913 465776893 /nfs/dbraw/zinc/77/68/93/465776893.db2.gz PHAQZXKFFNHKHS-UHFFFAOYSA-N 1 2 328.328 2.147 20 5 EEBDLO NC(=O)C1CC[NH+](c2ccc(Nc3ncccc3[N+](=O)[O-])cc2)CC1 ZINC000299709855 465863910 /nfs/dbraw/zinc/86/39/10/465863910.db2.gz UKNVXHDKEGJSNX-UHFFFAOYSA-N 1 2 341.371 2.435 20 5 EEBDLO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000366739192 465908090 /nfs/dbraw/zinc/90/80/90/465908090.db2.gz KJBWVZRVVBLEDZ-UHFFFAOYSA-N 1 2 328.372 2.132 20 5 EEBDLO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000366739192 465908095 /nfs/dbraw/zinc/90/80/95/465908095.db2.gz KJBWVZRVVBLEDZ-UHFFFAOYSA-N 1 2 328.372 2.132 20 5 EEBDLO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccon2)c([N+](=O)[O-])c1 ZINC000349235900 466029151 /nfs/dbraw/zinc/02/91/51/466029151.db2.gz CPGVPSRDMUDIEC-JTQLQIEISA-N 1 2 334.332 2.271 20 5 EEBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353677349 466060320 /nfs/dbraw/zinc/06/03/20/466060320.db2.gz YGDLSSBIDBXVCD-SOUVJXGZSA-N 1 2 330.388 2.167 20 5 EEBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000346956241 466279886 /nfs/dbraw/zinc/27/98/86/466279886.db2.gz DZUUHVFTLXXTFB-VJBOLBCHSA-N 1 2 326.418 2.205 20 5 EEBDLO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000346956241 466279892 /nfs/dbraw/zinc/27/98/92/466279892.db2.gz DZUUHVFTLXXTFB-VJBOLBCHSA-N 1 2 326.418 2.205 20 5 EEBDLO CC[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[N@@H+]1CCO[C@@H](CC)C1 ZINC000332351883 466523366 /nfs/dbraw/zinc/52/33/66/466523366.db2.gz UZQCJTMESVMLCH-DZGCQCFKSA-N 1 2 347.415 2.373 20 5 EEBDLO CC[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[N@H+]1CCO[C@@H](CC)C1 ZINC000332351883 466523373 /nfs/dbraw/zinc/52/33/73/466523373.db2.gz UZQCJTMESVMLCH-DZGCQCFKSA-N 1 2 347.415 2.373 20 5 EEBDLO CCOc1cc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000369732601 466748657 /nfs/dbraw/zinc/74/86/57/466748657.db2.gz PMPKJIFSZVOZBN-YTEVENLXSA-N 1 2 326.418 2.194 20 5 EEBDLO CCOc1cc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000369732601 466748660 /nfs/dbraw/zinc/74/86/60/466748660.db2.gz PMPKJIFSZVOZBN-YTEVENLXSA-N 1 2 326.418 2.194 20 5 EEBDLO Cc1c(NC(=O)CC[N@H+](CC(F)F)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000451839351 467269889 /nfs/dbraw/zinc/26/98/89/467269889.db2.gz RPXAUWJKDRBIGO-JTQLQIEISA-N 1 2 345.346 2.180 20 5 EEBDLO Cc1c(NC(=O)CC[N@@H+](CC(F)F)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000451839351 467269890 /nfs/dbraw/zinc/26/98/90/467269890.db2.gz RPXAUWJKDRBIGO-JTQLQIEISA-N 1 2 345.346 2.180 20 5 EEBDLO CN(CC(=O)Nc1c[nH+]c2n1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000452337181 467350020 /nfs/dbraw/zinc/35/00/20/467350020.db2.gz YPZOVILHOZSYLP-UHFFFAOYSA-N 1 2 329.360 2.203 20 5 EEBDLO O=C(NCCc1[nH]cc[nH+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431039169 467490379 /nfs/dbraw/zinc/49/03/79/467490379.db2.gz RAAPULLZADJZKU-UHFFFAOYSA-N 1 2 339.149 2.053 20 5 EEBDLO CN(Cc1ccc(N)[nH+]c1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436347175 467531340 /nfs/dbraw/zinc/53/13/40/467531340.db2.gz VFXADZITWGGPSA-UHFFFAOYSA-N 1 2 327.266 2.622 20 5 EEBDLO Cc1cc(C(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)[nH]1 ZINC000488990970 468115080 /nfs/dbraw/zinc/11/50/80/468115080.db2.gz ZGGIFTOGQZPQBX-UHFFFAOYSA-N 1 2 331.376 2.256 20 5 EEBDLO COc1ccc(CC(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000549758552 468195919 /nfs/dbraw/zinc/19/59/19/468195919.db2.gz SNYOHFRKXCEMPQ-OAHLLOKOSA-N 1 2 332.360 2.383 20 5 EEBDLO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000594609089 468634031 /nfs/dbraw/zinc/63/40/31/468634031.db2.gz PSQUVGLMKLQGAZ-KXQLTZBTSA-N 1 2 348.321 2.480 20 5 EEBDLO COCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000594609089 468634034 /nfs/dbraw/zinc/63/40/34/468634034.db2.gz PSQUVGLMKLQGAZ-KXQLTZBTSA-N 1 2 348.321 2.480 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597708553 468647378 /nfs/dbraw/zinc/64/73/78/468647378.db2.gz AVZCIUTUHLHEQP-OAHLLOKOSA-N 1 2 347.415 2.148 20 5 EEBDLO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000598508315 468892029 /nfs/dbraw/zinc/89/20/29/468892029.db2.gz GGEDRTOVJQHDQY-OAHLLOKOSA-N 1 2 341.367 2.305 20 5 EEBDLO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000598508315 468892031 /nfs/dbraw/zinc/89/20/31/468892031.db2.gz GGEDRTOVJQHDQY-OAHLLOKOSA-N 1 2 341.367 2.305 20 5 EEBDLO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000593188883 468899437 /nfs/dbraw/zinc/89/94/37/468899437.db2.gz DRZWSLBRZUPQGN-MXWKQRLJSA-N 1 2 331.376 2.024 20 5 EEBDLO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000593188883 468899440 /nfs/dbraw/zinc/89/94/40/468899440.db2.gz DRZWSLBRZUPQGN-MXWKQRLJSA-N 1 2 331.376 2.024 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000598650494 468946285 /nfs/dbraw/zinc/94/62/85/468946285.db2.gz YTGLFUFXMTXKMO-ZDUSSCGKSA-N 1 2 335.404 2.325 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000598650494 468946290 /nfs/dbraw/zinc/94/62/90/468946290.db2.gz YTGLFUFXMTXKMO-ZDUSSCGKSA-N 1 2 335.404 2.325 20 5 EEBDLO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1=CCCOC1 ZINC000595754214 468990295 /nfs/dbraw/zinc/99/02/95/468990295.db2.gz WXTBUJYKAUBNTH-UHFFFAOYSA-N 1 2 330.344 2.423 20 5 EEBDLO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1=CCCOC1 ZINC000595754214 468990305 /nfs/dbraw/zinc/99/03/05/468990305.db2.gz WXTBUJYKAUBNTH-UHFFFAOYSA-N 1 2 330.344 2.423 20 5 EEBDLO COC(=O)[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000610736084 469055589 /nfs/dbraw/zinc/05/55/89/469055589.db2.gz JGMKHMKJFNHKTH-CQSZACIVSA-N 1 2 340.376 2.160 20 5 EEBDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000602243502 469254642 /nfs/dbraw/zinc/25/46/42/469254642.db2.gz JFZMHGQFAYBIBE-MRXNPFEDSA-N 1 2 335.404 2.053 20 5 EEBDLO CC[N@H+]1CCOC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000602243502 469254646 /nfs/dbraw/zinc/25/46/46/469254646.db2.gz JFZMHGQFAYBIBE-MRXNPFEDSA-N 1 2 335.404 2.053 20 5 EEBDLO COC[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000615996119 469350707 /nfs/dbraw/zinc/35/07/07/469350707.db2.gz ALAZNOZEEZISNF-MRXNPFEDSA-N 1 2 349.431 2.290 20 5 EEBDLO C[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617753264 469793260 /nfs/dbraw/zinc/79/32/60/469793260.db2.gz UQFQKVLVYUPUAM-HIFRSBDPSA-N 1 2 340.383 2.488 20 5 EEBDLO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618279283 469948428 /nfs/dbraw/zinc/94/84/28/469948428.db2.gz NYFDJBOZVLUJBO-LLVKDONJSA-N 1 2 332.360 2.389 20 5 EEBDLO COC(=O)C[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618279283 469948435 /nfs/dbraw/zinc/94/84/35/469948435.db2.gz NYFDJBOZVLUJBO-LLVKDONJSA-N 1 2 332.360 2.389 20 5 EEBDLO O=C(NCCc1ccccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000033225264 490579223 /nfs/dbraw/zinc/57/92/23/490579223.db2.gz PIFROMVUEVLYLI-UHFFFAOYSA-N 1 2 337.339 2.148 20 5 EEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCc1cn2cccc(C)c2[nH+]1 ZINC000728334544 576492492 /nfs/dbraw/zinc/49/24/92/576492492.db2.gz ZQSNHCXLNNSLFI-UHFFFAOYSA-N 1 2 343.343 2.189 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cn(-c4ccccc4)nn3)nc2c1 ZINC000775179981 577431930 /nfs/dbraw/zinc/43/19/30/577431930.db2.gz UFVGUWLOYLXHPP-UHFFFAOYSA-N 1 2 349.354 2.342 20 5 EEBDLO C[C@@H]1[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1(C)C ZINC000763212273 577716920 /nfs/dbraw/zinc/71/69/20/577716920.db2.gz ONKYCEPMAPWASY-LBPRGKRZSA-N 1 2 331.376 2.310 20 5 EEBDLO C[C@@H]1[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1(C)C ZINC000763212273 577716921 /nfs/dbraw/zinc/71/69/21/577716921.db2.gz ONKYCEPMAPWASY-LBPRGKRZSA-N 1 2 331.376 2.310 20 5 EEBDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1Cl ZINC000753895323 577795763 /nfs/dbraw/zinc/79/57/63/577795763.db2.gz KKSSWAASSPHVKB-TXEJJXNPSA-N 1 2 340.763 2.268 20 5 EEBDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1Cl ZINC000753895323 577795764 /nfs/dbraw/zinc/79/57/64/577795764.db2.gz KKSSWAASSPHVKB-TXEJJXNPSA-N 1 2 340.763 2.268 20 5 EEBDLO COC(=O)[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000755126797 577820173 /nfs/dbraw/zinc/82/01/73/577820173.db2.gz FMGUNOGNIZAULW-JKSUJKDBSA-N 1 2 336.388 2.340 20 5 EEBDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000755139540 577820382 /nfs/dbraw/zinc/82/03/82/577820382.db2.gz ARAGBCAYZZMFQJ-SSDOTTSWSA-N 1 2 339.739 2.229 20 5 EEBDLO O=C(C[N@H+]1CCCC[C@H]1CCO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000756032090 577837201 /nfs/dbraw/zinc/83/72/01/577837201.db2.gz RPLVNDSWLBRVID-LBPRGKRZSA-N 1 2 341.795 2.424 20 5 EEBDLO O=C(C[N@@H+]1CCCC[C@H]1CCO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000756032090 577837202 /nfs/dbraw/zinc/83/72/02/577837202.db2.gz RPLVNDSWLBRVID-LBPRGKRZSA-N 1 2 341.795 2.424 20 5 EEBDLO Cc1c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748713114 577965988 /nfs/dbraw/zinc/96/59/88/577965988.db2.gz NZDCUZFEQAKQLM-VIFPVBQESA-N 1 2 347.331 2.135 20 5 EEBDLO Nc1cc([N+](=O)[O-])ccc1C(=O)OCc1ccc(-n2cc[nH+]c2)nc1 ZINC000750303194 577990155 /nfs/dbraw/zinc/99/01/55/577990155.db2.gz BLWRNTMOMACGQU-UHFFFAOYSA-N 1 2 339.311 2.115 20 5 EEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741144808 578113317 /nfs/dbraw/zinc/11/33/17/578113317.db2.gz CTFCXWDJYQEZLR-CYBMUJFWSA-N 1 2 346.343 2.172 20 5 EEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000741144808 578113318 /nfs/dbraw/zinc/11/33/18/578113318.db2.gz CTFCXWDJYQEZLR-CYBMUJFWSA-N 1 2 346.343 2.172 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000741895466 578125717 /nfs/dbraw/zinc/12/57/17/578125717.db2.gz FEXKMBABTJOLHV-UHFFFAOYSA-N 1 2 337.339 2.414 20 5 EEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783734844 682760107 /nfs/dbraw/zinc/76/01/07/682760107.db2.gz NKDDJCQMNMZYDI-RNCFNFMXSA-N 1 2 327.178 2.172 20 5 EEBDLO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783734844 682760110 /nfs/dbraw/zinc/76/01/10/682760110.db2.gz NKDDJCQMNMZYDI-RNCFNFMXSA-N 1 2 327.178 2.172 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1 ZINC001029305305 683941538 /nfs/dbraw/zinc/94/15/38/683941538.db2.gz XFYFVYHKDAETFL-QKPAOTATSA-N 1 2 349.818 2.180 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1 ZINC001029305305 683941541 /nfs/dbraw/zinc/94/15/41/683941541.db2.gz XFYFVYHKDAETFL-QKPAOTATSA-N 1 2 349.818 2.180 20 5 EEBDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CN(C)CC[N@@H+]1C ZINC000895245224 684369142 /nfs/dbraw/zinc/36/91/42/684369142.db2.gz DLUPLHHXCJQCLT-JOYOIKCWSA-N 1 2 347.341 2.055 20 5 EEBDLO C[C@H](Nc1ncc([N+](=O)[O-])cc1C(F)(F)F)[C@H]1CN(C)CC[N@H+]1C ZINC000895245224 684369145 /nfs/dbraw/zinc/36/91/45/684369145.db2.gz DLUPLHHXCJQCLT-JOYOIKCWSA-N 1 2 347.341 2.055 20 5 EEBDLO COCCOCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000313267827 686851963 /nfs/dbraw/zinc/85/19/63/686851963.db2.gz AGKHOZICXACHCC-UHFFFAOYSA-N 1 2 347.209 2.452 20 5 EEBDLO COCCOCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000313267827 686851970 /nfs/dbraw/zinc/85/19/70/686851970.db2.gz AGKHOZICXACHCC-UHFFFAOYSA-N 1 2 347.209 2.452 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001059689106 688153801 /nfs/dbraw/zinc/15/38/01/688153801.db2.gz ANMYGUHCFGNVRH-BETUJISGSA-N 1 2 343.387 2.237 20 5 EEBDLO Cc1conc1C(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989426961 691715462 /nfs/dbraw/zinc/71/54/62/691715462.db2.gz ATDIRQYSJPOARO-UHFFFAOYSA-N 1 2 344.371 2.239 20 5 EEBDLO Cc1conc1C(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989426961 691715467 /nfs/dbraw/zinc/71/54/67/691715467.db2.gz ATDIRQYSJPOARO-UHFFFAOYSA-N 1 2 344.371 2.239 20 5 EEBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000865066929 1198072049 /nfs/dbraw/zinc/07/20/49/1198072049.db2.gz JQNBFXHKTQHKTI-UHFFFAOYSA-N 1 2 332.335 2.337 20 5 EEBDLO C[S@@](=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865551406 1198272352 /nfs/dbraw/zinc/27/23/52/1198272352.db2.gz FHNSKVNOBFXUJI-HSZRJFAPSA-N 1 2 347.387 2.033 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000866120407 1201439244 /nfs/dbraw/zinc/43/92/44/1201439244.db2.gz ZYOIZPIZJDZECI-UHFFFAOYSA-N 1 2 340.383 2.034 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000866120407 1201439249 /nfs/dbraw/zinc/43/92/49/1201439249.db2.gz ZYOIZPIZJDZECI-UHFFFAOYSA-N 1 2 340.383 2.034 20 5 EEBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C[C@@H]21 ZINC000794970991 1201642676 /nfs/dbraw/zinc/64/26/76/1201642676.db2.gz OKASRVSDVUFZIU-FOLVSLTJSA-N 1 2 334.372 2.233 20 5 EEBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(C)C)C[C@@H]21 ZINC000794970991 1201642677 /nfs/dbraw/zinc/64/26/77/1201642677.db2.gz OKASRVSDVUFZIU-FOLVSLTJSA-N 1 2 334.372 2.233 20 5 EEBDLO CCOC(=O)[C@H](C[C@H]1CCCO1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000886963417 1204171769 /nfs/dbraw/zinc/17/17/69/1204171769.db2.gz PXTPONKEHYJQRC-CVEARBPZSA-N 1 2 336.388 2.228 20 5 EEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000935487782 1208163009 /nfs/dbraw/zinc/16/30/09/1208163009.db2.gz HWUMMNNKHPNIDV-JTQLQIEISA-N 1 2 332.385 2.258 20 5 EEBDLO O=C(OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000778892000 1208392373 /nfs/dbraw/zinc/39/23/73/1208392373.db2.gz UKXUPVWXMSCIGG-UHFFFAOYSA-N 1 2 327.243 2.250 20 5 EEBDLO CN(CCCNC(=O)CCc1c[nH]c[nH+]1)c1cccc(F)c1[N+](=O)[O-] ZINC001095767986 1208501152 /nfs/dbraw/zinc/50/11/52/1208501152.db2.gz KDNHAWSQAHCOLE-UHFFFAOYSA-N 1 2 349.366 2.032 20 5 EEBDLO CN(CCCNC(=O)CCc1c[nH+]c[nH]1)c1cccc(F)c1[N+](=O)[O-] ZINC001095767986 1208501153 /nfs/dbraw/zinc/50/11/53/1208501153.db2.gz KDNHAWSQAHCOLE-UHFFFAOYSA-N 1 2 349.366 2.032 20 5 EEBDLO O=C(OCc1cccc2[nH+]ccn21)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000779232250 1209619621 /nfs/dbraw/zinc/61/96/21/1209619621.db2.gz VPNIAOSEAYSKEI-UHFFFAOYSA-N 1 2 341.279 2.328 20 5 EEBDLO C[C@@H]1CN(CC[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000195304540 1211375185 /nfs/dbraw/zinc/37/51/85/1211375185.db2.gz JAHZPLKNVSUDTA-BETUJISGSA-N 1 2 325.384 2.275 20 5 EEBDLO C[C@@H]1CN(CC[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000195304540 1211375187 /nfs/dbraw/zinc/37/51/87/1211375187.db2.gz JAHZPLKNVSUDTA-BETUJISGSA-N 1 2 325.384 2.275 20 5 EEBDLO O=C1[C@H]([NH+]2CCC(F)(F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000796553988 1221293720 /nfs/dbraw/zinc/29/37/20/1221293720.db2.gz ZYCAVLCADIPHQN-CYBMUJFWSA-N 1 2 325.315 2.431 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCNC(=O)CC(C)C)CC2)c1 ZINC001096262047 1236785469 /nfs/dbraw/zinc/78/54/69/1236785469.db2.gz SWSRATGMOBLOQB-UHFFFAOYSA-N 1 2 348.447 2.188 20 5 EEBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1[N+](=O)[O-] ZINC000851900346 1291909478 /nfs/dbraw/zinc/90/94/78/1291909478.db2.gz SRFPVFDPCVJFAF-VIFPVBQESA-N 1 2 330.344 2.261 20 5 EEBDLO C[N@@H+]1CCO[C@@H](COc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001225661124 1301114130 /nfs/dbraw/zinc/11/41/30/1301114130.db2.gz JJWDLLWAEKVOOQ-SNVBAGLBSA-N 1 2 331.166 2.067 20 5 EEBDLO C[N@H+]1CCO[C@@H](COc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001225661124 1301114136 /nfs/dbraw/zinc/11/41/36/1301114136.db2.gz JJWDLLWAEKVOOQ-SNVBAGLBSA-N 1 2 331.166 2.067 20 5 EEBDLO Cc1cc[nH+]c(N2CCC(Oc3nc(C)[nH]c(=O)c3[N+](=O)[O-])CC2)c1 ZINC001229379129 1302754135 /nfs/dbraw/zinc/75/41/35/1302754135.db2.gz RGSPJKSHNFMEGM-UHFFFAOYSA-N 1 2 345.359 2.150 20 5 EEBDLO CCCSc1nc(O[C@@H]2CC[N@H+](CC)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790772 1302946377 /nfs/dbraw/zinc/94/63/77/1302946377.db2.gz DGYJRLGYGKSMPF-SECBINFHSA-N 1 2 328.394 2.066 20 5 EEBDLO CCCSc1nc(O[C@@H]2CC[N@@H+](CC)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790772 1302946383 /nfs/dbraw/zinc/94/63/83/1302946383.db2.gz DGYJRLGYGKSMPF-SECBINFHSA-N 1 2 328.394 2.066 20 5 EEBDLO CO[C@@H]1C[C@H]([N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC000840141919 1315306689 /nfs/dbraw/zinc/30/66/89/1315306689.db2.gz SCSSNRYMFUBOBO-UONOGXRCSA-N 1 2 347.371 2.350 20 5 EEBDLO CO[C@@H]1C[C@H]([N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC000840141919 1315306693 /nfs/dbraw/zinc/30/66/93/1315306693.db2.gz SCSSNRYMFUBOBO-UONOGXRCSA-N 1 2 347.371 2.350 20 5 EEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000840164545 1315314387 /nfs/dbraw/zinc/31/43/87/1315314387.db2.gz SGYZMQJLEIZZQU-GFCCVEGCSA-N 1 2 348.325 2.430 20 5 EEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000840164545 1315314391 /nfs/dbraw/zinc/31/43/91/1315314391.db2.gz SGYZMQJLEIZZQU-GFCCVEGCSA-N 1 2 348.325 2.430 20 5 EEBDLO C[NH+](C)/C=C/c1cc(N2C[C@@H]3CCCC(=O)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001159013266 1319556463 /nfs/dbraw/zinc/55/64/63/1319556463.db2.gz RCWKNXVOWAOJQH-AGKLADILSA-N 1 2 330.388 2.328 20 5 EEBDLO O=C(NCCC1=CC[N@H+](CC=C(Cl)Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107309 1320071865 /nfs/dbraw/zinc/07/18/65/1320071865.db2.gz MGYPQNYXVIDBAR-VXGBXAGGSA-N 1 2 348.230 2.109 20 5 EEBDLO O=C(NCCC1=CC[N@@H+](CC=C(Cl)Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001160107309 1320071867 /nfs/dbraw/zinc/07/18/67/1320071867.db2.gz MGYPQNYXVIDBAR-VXGBXAGGSA-N 1 2 348.230 2.109 20 5 EEBDLO O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[NH2+]CC(F)(F)C3)c2c1 ZINC001164493453 1321396211 /nfs/dbraw/zinc/39/62/11/1321396211.db2.gz XSIARNOJEWTAEI-UHFFFAOYSA-N 1 2 343.721 2.236 20 5 EEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001308077512 1331563972 /nfs/dbraw/zinc/56/39/72/1331563972.db2.gz LUELWKRJMYZCEU-RYUDHWBXSA-N 1 2 343.387 2.339 20 5 EEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001308077512 1331563974 /nfs/dbraw/zinc/56/39/74/1331563974.db2.gz LUELWKRJMYZCEU-RYUDHWBXSA-N 1 2 343.387 2.339 20 5 EEBDLO O=C1OCCN1[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000852437125 1369272878 /nfs/dbraw/zinc/27/28/78/1369272878.db2.gz SXNVSNUCGZSUGJ-NSHDSACASA-N 1 2 325.752 2.275 20 5 EEBDLO O=C1OCCN1[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000852437125 1369272883 /nfs/dbraw/zinc/27/28/83/1369272883.db2.gz SXNVSNUCGZSUGJ-NSHDSACASA-N 1 2 325.752 2.275 20 5 EEBDLO CCO[C@@H]1C[C@@H]1COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835360104 1372617118 /nfs/dbraw/zinc/61/71/18/1372617118.db2.gz OISRYKHNEVJNKI-IUODEOHRSA-N 1 2 331.328 2.362 20 5 EEBDLO C[N@H+](CCOCC1CC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154783066 769309347 /nfs/dbraw/zinc/30/93/47/769309347.db2.gz OJYKJRAQHMGMNC-UHFFFAOYSA-N 1 2 348.403 2.153 20 5 EEBDLO C[N@@H+](CCOCC1CC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154783066 769309354 /nfs/dbraw/zinc/30/93/54/769309354.db2.gz OJYKJRAQHMGMNC-UHFFFAOYSA-N 1 2 348.403 2.153 20 5 EEBDLO O=C(C(F)F)N1CC2(C1)CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000981571289 777661190 /nfs/dbraw/zinc/66/11/90/777661190.db2.gz YLZQCIIGPQFQQA-UHFFFAOYSA-N 1 2 345.371 2.346 20 5 EEBDLO O=C(C(F)F)N1CC2(C1)CCC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000981571289 777661195 /nfs/dbraw/zinc/66/11/95/777661195.db2.gz YLZQCIIGPQFQQA-UHFFFAOYSA-N 1 2 345.371 2.346 20 5 EEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2(Br)CC2)CC1 ZINC000846985404 790795879 /nfs/dbraw/zinc/79/58/79/790795879.db2.gz SYEQXCIRQIKQKX-UHFFFAOYSA-N 1 2 341.209 2.039 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091471576 790932651 /nfs/dbraw/zinc/93/26/51/790932651.db2.gz HVIVSLAJGMTDPK-JOCQHMNTSA-N 1 2 343.387 2.176 20 5 EEBDLO O=C(CCc1[nH]cc[nH+]1)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107173459 786218091 /nfs/dbraw/zinc/21/80/91/786218091.db2.gz LFJOAAHBMNPQJA-OWOJBTEDSA-N 1 2 329.360 2.035 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])c(C)c1 ZINC001107285692 786723973 /nfs/dbraw/zinc/72/39/73/786723973.db2.gz QFRNEQCTLOWCIV-ARJAWSKDSA-N 1 2 343.387 2.262 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCn3ccnc3C2)c1F ZINC001173180816 797279624 /nfs/dbraw/zinc/27/96/24/797279624.db2.gz NNQDMJOVGGUFOZ-LLVKDONJSA-N 1 2 334.351 2.386 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCn3ccnc3C2)c1F ZINC001173180816 797279627 /nfs/dbraw/zinc/27/96/27/797279627.db2.gz NNQDMJOVGGUFOZ-LLVKDONJSA-N 1 2 334.351 2.386 20 5 EEBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC([C@@H]([NH3+])C(=O)OC(C)(C)C)C1 ZINC001173228873 797311616 /nfs/dbraw/zinc/31/16/16/797311616.db2.gz LBZYSQGUXMFQET-MLGOLLRUSA-N 1 2 349.431 2.127 20 5 EEBDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235445 797313246 /nfs/dbraw/zinc/31/32/46/797313246.db2.gz XDVNOIPXCLKBOT-WNOSKKOXSA-N 1 2 348.399 2.178 20 5 EEBDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235445 797313255 /nfs/dbraw/zinc/31/32/55/797313255.db2.gz XDVNOIPXCLKBOT-WNOSKKOXSA-N 1 2 348.399 2.178 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)CCn3cc[nH+]c3)CC2)c1 ZINC001110290167 801170522 /nfs/dbraw/zinc/17/05/22/801170522.db2.gz POVMUJXAULEYHF-UHFFFAOYSA-N 1 2 343.387 2.251 20 5 EEBDLO COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1[nH]c(=O)c(CC[NH3+])c1C ZINC001170343366 809915086 /nfs/dbraw/zinc/91/50/86/809915086.db2.gz RQIOWAJEJNBPLY-UHFFFAOYSA-N 1 2 340.767 2.266 20 5 EEBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792874890 810048653 /nfs/dbraw/zinc/04/86/53/810048653.db2.gz HDMWJQMAPMUGKR-AWEZNQCLSA-N 1 2 347.327 2.335 20 5 EEBDLO C[C@@H]1OCC[C@@H]1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000793424966 810345762 /nfs/dbraw/zinc/34/57/62/810345762.db2.gz WWGFZYCUDZBHIV-WCQYABFASA-N 1 2 331.328 2.362 20 5 EEBDLO O=[N+]([O-])c1ncccc1OCc1cccc(C[NH+]2CCOCC2)c1 ZINC000421826315 240030427 /nfs/dbraw/zinc/03/04/27/240030427.db2.gz RUSXLINMOVVCPN-UHFFFAOYSA-N 1 2 329.356 2.401 20 5 EEBDLO COC(=O)c1occc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446839242 242223974 /nfs/dbraw/zinc/22/39/74/242223974.db2.gz QRIXCSNLLYLTHN-UHFFFAOYSA-N 1 2 330.300 2.141 20 5 EEBDLO CCOC[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447815558 242319025 /nfs/dbraw/zinc/31/90/25/242319025.db2.gz GFSVNBIVDZWKEQ-MRXNPFEDSA-N 1 2 349.431 2.290 20 5 EEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000428368114 284122224 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339.396 2.080 20 5 EEBDLO CN(C[C@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000173452951 464264036 /nfs/dbraw/zinc/26/40/36/464264036.db2.gz SQKHDLXERPJDTB-GFCCVEGCSA-N 1 2 339.396 2.080 20 5 EEBDLO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@@H]1CCC[N@H+](C)C1 ZINC000294830662 464619232 /nfs/dbraw/zinc/61/92/32/464619232.db2.gz DGJWMSCVUFRARV-CQSZACIVSA-N 1 2 343.387 2.151 20 5 EEBDLO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@@H]1CCC[N@@H+](C)C1 ZINC000294830662 464619236 /nfs/dbraw/zinc/61/92/36/464619236.db2.gz DGJWMSCVUFRARV-CQSZACIVSA-N 1 2 343.387 2.151 20 5 EEBDLO CCOc1cc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000295424440 464828978 /nfs/dbraw/zinc/82/89/78/464828978.db2.gz UKLNLFAWWLUMCF-GFCCVEGCSA-N 1 2 348.359 2.049 20 5 EEBDLO CCOc1cc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000295424440 464828984 /nfs/dbraw/zinc/82/89/84/464828984.db2.gz UKLNLFAWWLUMCF-GFCCVEGCSA-N 1 2 348.359 2.049 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000286199929 464836747 /nfs/dbraw/zinc/83/67/47/464836747.db2.gz APARYGKLIXJVKR-LBPRGKRZSA-N 1 2 341.358 2.170 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c(F)c1 ZINC000286199929 464836754 /nfs/dbraw/zinc/83/67/54/464836754.db2.gz APARYGKLIXJVKR-LBPRGKRZSA-N 1 2 341.358 2.170 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]2CN2CCOCC2)c(F)c1 ZINC000286199929 464836759 /nfs/dbraw/zinc/83/67/59/464836759.db2.gz APARYGKLIXJVKR-LBPRGKRZSA-N 1 2 341.358 2.170 20 5 EEBDLO C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@H](C)[N@@H+]1C ZINC000295444614 464837082 /nfs/dbraw/zinc/83/70/82/464837082.db2.gz KQOPYVDKVCNKIZ-TXEJJXNPSA-N 1 2 343.387 2.150 20 5 EEBDLO Cc1cc(C(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc([N+](=O)[O-])c1 ZINC000276423388 464927311 /nfs/dbraw/zinc/92/73/11/464927311.db2.gz WLSPUORWLOJFQB-BBRMVZONSA-N 1 2 344.371 2.287 20 5 EEBDLO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1noc(Cc2ccccc2)n1 ZINC000348309911 465545329 /nfs/dbraw/zinc/54/53/29/465545329.db2.gz TTWDEJBKZNRSMC-GFCCVEGCSA-N 1 2 342.359 2.116 20 5 EEBDLO CCOC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000348776367 465783218 /nfs/dbraw/zinc/78/32/18/465783218.db2.gz QCCZDHQFEQOOHX-INIZCTEOSA-N 1 2 336.388 2.085 20 5 EEBDLO COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000357130310 465797825 /nfs/dbraw/zinc/79/78/25/465797825.db2.gz QUUVCPKZNBLSAK-CYBMUJFWSA-N 1 2 344.327 2.082 20 5 EEBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000338139136 465844082 /nfs/dbraw/zinc/84/40/82/465844082.db2.gz KGKGMSKURCAKBS-UHFFFAOYSA-N 1 2 338.367 2.486 20 5 EEBDLO CN(CC[NH+]1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000301160436 465912179 /nfs/dbraw/zinc/91/21/79/465912179.db2.gz RXCFRPKTDWLPTQ-UHFFFAOYSA-N 1 2 344.209 2.126 20 5 EEBDLO C[C@]1(CO)CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000305102103 466343749 /nfs/dbraw/zinc/34/37/49/466343749.db2.gz 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ZINC000597848093 468691329 /nfs/dbraw/zinc/69/13/29/468691329.db2.gz SSSYYYUXHXWYSZ-CQSZACIVSA-N 1 2 346.387 2.126 20 5 EEBDLO COCC1(N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000597940709 468719218 /nfs/dbraw/zinc/71/92/18/468719218.db2.gz NUFYGJQTRNSYNI-UHFFFAOYSA-N 1 2 330.344 2.032 20 5 EEBDLO Cc1cccn2cc(CCNC(=O)Cc3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000610434659 468966605 /nfs/dbraw/zinc/96/66/05/468966605.db2.gz FSYVSXBEFOCRQI-UHFFFAOYSA-N 1 2 338.367 2.452 20 5 EEBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000598945616 469061421 /nfs/dbraw/zinc/06/14/21/469061421.db2.gz ACEUQGGCEOYYFB-CYBMUJFWSA-N 1 2 341.371 2.110 20 5 EEBDLO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1nncn1C ZINC000602541840 469354792 /nfs/dbraw/zinc/35/47/92/469354792.db2.gz RDQBEYNMUNJNJL-ZCFIWIBFSA-N 1 2 346.210 2.398 20 5 EEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596865394 469388290 /nfs/dbraw/zinc/38/82/90/469388290.db2.gz GOIUBXRSPPINGF-CQSZACIVSA-N 1 2 348.403 2.150 20 5 EEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC(Oc2cc[nH+]cc2)C1 ZINC000609029024 469888185 /nfs/dbraw/zinc/88/81/85/469888185.db2.gz DMKVOVGTGGKEKS-UHFFFAOYSA-N 1 2 342.355 2.082 20 5 EEBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000609150195 469897511 /nfs/dbraw/zinc/89/75/11/469897511.db2.gz VOXMEMNFHLCBNU-SNVBAGLBSA-N 1 2 344.209 2.490 20 5 EEBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000609150195 469897517 /nfs/dbraw/zinc/89/75/17/469897517.db2.gz VOXMEMNFHLCBNU-SNVBAGLBSA-N 1 2 344.209 2.490 20 5 EEBDLO CC1(C)C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)(C)CO1 ZINC000609671620 469953780 /nfs/dbraw/zinc/95/37/80/469953780.db2.gz HDEZZTYMFBIPSO-UHFFFAOYSA-N 1 2 347.415 2.373 20 5 EEBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)(C)CO1 ZINC000609671620 469953783 /nfs/dbraw/zinc/95/37/83/469953783.db2.gz HDEZZTYMFBIPSO-UHFFFAOYSA-N 1 2 347.415 2.373 20 5 EEBDLO C[C@@H]1CN(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@@H](C)O1 ZINC000153325903 534304232 /nfs/dbraw/zinc/30/42/32/534304232.db2.gz ALXLEAUSSLHYEK-ZIAGYGMSSA-N 1 2 347.415 2.195 20 5 EEBDLO C[C@@H]1CN(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@@H](C)O1 ZINC000153325903 534304233 /nfs/dbraw/zinc/30/42/33/534304233.db2.gz ALXLEAUSSLHYEK-ZIAGYGMSSA-N 1 2 347.415 2.195 20 5 EEBDLO COC(=O)c1cnc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000190171616 534306964 /nfs/dbraw/zinc/30/69/64/534306964.db2.gz KBAYKHXBUOBTFH-UHFFFAOYSA-N 1 2 345.359 2.476 20 5 EEBDLO O=[N+]([O-])c1cnc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)s1 ZINC000190309266 534888416 /nfs/dbraw/zinc/88/84/16/534888416.db2.gz BVLGCELEBSFLCE-UHFFFAOYSA-N 1 2 344.400 2.021 20 5 EEBDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000767548711 577539381 /nfs/dbraw/zinc/53/93/81/577539381.db2.gz LGXMQRIXZSBLKS-OKILXGFUSA-N 1 2 340.763 2.268 20 5 EEBDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000767548711 577539382 /nfs/dbraw/zinc/53/93/82/577539382.db2.gz LGXMQRIXZSBLKS-OKILXGFUSA-N 1 2 340.763 2.268 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000744393899 577897052 /nfs/dbraw/zinc/89/70/52/577897052.db2.gz VQYTVUJYVNKZHJ-HNNXBMFYSA-N 1 2 349.387 2.069 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000744393899 577897053 /nfs/dbraw/zinc/89/70/53/577897053.db2.gz VQYTVUJYVNKZHJ-HNNXBMFYSA-N 1 2 349.387 2.069 20 5 EEBDLO CC(C)(C)c1nnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000744407232 577897362 /nfs/dbraw/zinc/89/73/62/577897362.db2.gz NXQPKGADSCYYBE-LLVKDONJSA-N 1 2 346.391 2.357 20 5 EEBDLO CC(C)(C)c1nnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000744407232 577897363 /nfs/dbraw/zinc/89/73/63/577897363.db2.gz NXQPKGADSCYYBE-LLVKDONJSA-N 1 2 346.391 2.357 20 5 EEBDLO COc1cc([N+](=O)[O-])cnc1N1CCC([N@H+](C)CC(F)F)CC1 ZINC000892830708 683111816 /nfs/dbraw/zinc/11/18/16/683111816.db2.gz FMFMIZWESSQCOL-UHFFFAOYSA-N 1 2 330.335 2.164 20 5 EEBDLO COc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000892830708 683111819 /nfs/dbraw/zinc/11/18/19/683111819.db2.gz FMFMIZWESSQCOL-UHFFFAOYSA-N 1 2 330.335 2.164 20 5 EEBDLO Cc1[nH]ccc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025729132 683251686 /nfs/dbraw/zinc/25/16/86/683251686.db2.gz LHLGCTBWTRPHHF-NHAGDIPZSA-N 1 2 346.412 2.153 20 5 EEBDLO Cc1[nH]ccc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025729132 683251690 /nfs/dbraw/zinc/25/16/90/683251690.db2.gz LHLGCTBWTRPHHF-NHAGDIPZSA-N 1 2 346.412 2.153 20 5 EEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cn[nH]c3)CC2)c2ccccc21 ZINC000895959821 684784331 /nfs/dbraw/zinc/78/43/31/684784331.db2.gz IUOWSKXWPCSPPR-UHFFFAOYSA-N 1 2 338.371 2.188 20 5 EEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000879124022 1200874537 /nfs/dbraw/zinc/87/45/37/1200874537.db2.gz PLGWTGUQTRTIOK-AWEZNQCLSA-N 1 2 336.392 2.136 20 5 EEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000879124022 1200874543 /nfs/dbraw/zinc/87/45/43/1200874543.db2.gz PLGWTGUQTRTIOK-AWEZNQCLSA-N 1 2 336.392 2.136 20 5 EEBDLO O=C1C[C@H](c2ccccc2)[N@H+](Cc2cccnc2[N+](=O)[O-])CCN1 ZINC000885979350 1202461373 /nfs/dbraw/zinc/46/13/73/1202461373.db2.gz BFKYAIHHYMZVAJ-OAHLLOKOSA-N 1 2 326.356 2.053 20 5 EEBDLO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2cccnc2[N+](=O)[O-])CCN1 ZINC000885979350 1202461374 /nfs/dbraw/zinc/46/13/74/1202461374.db2.gz BFKYAIHHYMZVAJ-OAHLLOKOSA-N 1 2 326.356 2.053 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N(C)CCCNC(=O)CCn2cc[nH+]c2)c1 ZINC001095690518 1205915993 /nfs/dbraw/zinc/91/59/93/1205915993.db2.gz CHHFOCNCPVMXAI-UHFFFAOYSA-N 1 2 345.403 2.133 20 5 EEBDLO C[C@H]1C[N@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000931297194 1206622950 /nfs/dbraw/zinc/62/29/50/1206622950.db2.gz FTLSYNJULQVTNV-JTQLQIEISA-N 1 2 342.783 2.090 20 5 EEBDLO C[C@H]1C[N@@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000931297194 1206622951 /nfs/dbraw/zinc/62/29/51/1206622951.db2.gz FTLSYNJULQVTNV-JTQLQIEISA-N 1 2 342.783 2.090 20 5 EEBDLO COc1ccc(OCC[N@H+](C)[C@@H]2CC(C)(C)OC2=O)c([N+](=O)[O-])c1 ZINC000795661340 1214769614 /nfs/dbraw/zinc/76/96/14/1214769614.db2.gz KELFKUYPKGMYIZ-CYBMUJFWSA-N 1 2 338.360 2.008 20 5 EEBDLO COc1ccc(OCC[N@@H+](C)[C@@H]2CC(C)(C)OC2=O)c([N+](=O)[O-])c1 ZINC000795661340 1214769618 /nfs/dbraw/zinc/76/96/18/1214769618.db2.gz KELFKUYPKGMYIZ-CYBMUJFWSA-N 1 2 338.360 2.008 20 5 EEBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801835401 1236261185 /nfs/dbraw/zinc/26/11/85/1236261185.db2.gz MAAZMYQDTLCNBJ-AWEZNQCLSA-N 1 2 349.366 2.357 20 5 EEBDLO O=C(CC1CC1)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001072389075 1255120959 /nfs/dbraw/zinc/12/09/59/1255120959.db2.gz QVEZMOSMEYUSGB-UHFFFAOYSA-N 1 2 335.429 2.491 20 5 EEBDLO O=C(CC1CC1)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001072389075 1255120962 /nfs/dbraw/zinc/12/09/62/1255120962.db2.gz QVEZMOSMEYUSGB-UHFFFAOYSA-N 1 2 335.429 2.491 20 5 EEBDLO Cc1noc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c1[N+](=O)[O-] ZINC000851980106 1291940657 /nfs/dbraw/zinc/94/06/57/1291940657.db2.gz PDDISGOXVZJNGQ-UHFFFAOYSA-N 1 2 336.323 2.469 20 5 EEBDLO C[N@@H+](CC1=CCCOC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000853562723 1292417898 /nfs/dbraw/zinc/41/78/98/1292417898.db2.gz VTPWGRHWVIDHJS-UHFFFAOYSA-N 1 2 346.387 2.073 20 5 EEBDLO C[N@H+](CC1=CCCOC1)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000853562723 1292417902 /nfs/dbraw/zinc/41/79/02/1292417902.db2.gz VTPWGRHWVIDHJS-UHFFFAOYSA-N 1 2 346.387 2.073 20 5 EEBDLO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000859227202 1294355219 /nfs/dbraw/zinc/35/52/19/1294355219.db2.gz AVELUVNMJAZTRY-QWRGUYRKSA-N 1 2 341.795 2.087 20 5 EEBDLO C[NH+]1CCC2(CC[C@@H](COc3cc(O)cc(O)c3[N+](=O)[O-])O2)CC1 ZINC001228968995 1302550884 /nfs/dbraw/zinc/55/08/84/1302550884.db2.gz WBYUUDHCHSRXPH-LBPRGKRZSA-N 1 2 338.360 2.028 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000840441269 1315363685 /nfs/dbraw/zinc/36/36/85/1315363685.db2.gz BAFZQVQJBFZICI-HUUCEWRRSA-N 1 2 348.790 2.231 20 5 EEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001254566993 1318123682 /nfs/dbraw/zinc/12/36/82/1318123682.db2.gz VSJGBYNMVRNWMQ-JSGCOSHPSA-N 1 2 326.418 2.035 20 5 EEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001254566993 1318123690 /nfs/dbraw/zinc/12/36/90/1318123690.db2.gz VSJGBYNMVRNWMQ-JSGCOSHPSA-N 1 2 326.418 2.035 20 5 EEBDLO CC1(C)C[N@@H+](C2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C2)CCO1 ZINC001165131192 1321461194 /nfs/dbraw/zinc/46/11/94/1321461194.db2.gz LFUYDXMVCJIDSP-UHFFFAOYSA-N 1 2 342.399 2.442 20 5 EEBDLO CC1(C)C[N@H+](C2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C2)CCO1 ZINC001165131192 1321461197 /nfs/dbraw/zinc/46/11/97/1321461197.db2.gz LFUYDXMVCJIDSP-UHFFFAOYSA-N 1 2 342.399 2.442 20 5 EEBDLO COc1c(C(=O)N2CCC(c3c[nH+]cn3C)CC2)cccc1[N+](=O)[O-] ZINC001262833229 1322381558 /nfs/dbraw/zinc/38/15/58/1322381558.db2.gz QYCGHFYWGYZXTG-UHFFFAOYSA-N 1 2 344.371 2.357 20 5 EEBDLO Cc1cc(CNc2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])cc(C)[nH+]1 ZINC001605661731 1351213292 /nfs/dbraw/zinc/21/32/92/1351213292.db2.gz JNMTXGRPKXOJLD-UHFFFAOYSA-N 1 2 331.361 2.460 20 5 EEBDLO O=C(OC[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835098433 1372591682 /nfs/dbraw/zinc/59/16/82/1372591682.db2.gz QUICTRMAFTWHSL-GFCCVEGCSA-N 1 2 331.328 2.364 20 5 EEBDLO CCc1nc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)co1 ZINC001031623349 770392377 /nfs/dbraw/zinc/39/23/77/770392377.db2.gz CKNUQVMSGQLPFX-UHFFFAOYSA-N 1 2 344.371 2.007 20 5 EEBDLO O=C(OCc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])o1 ZINC000817178898 784557101 /nfs/dbraw/zinc/55/71/01/784557101.db2.gz OTQXDSFEBBILAD-UHFFFAOYSA-N 1 2 346.339 2.377 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000908279965 785295300 /nfs/dbraw/zinc/29/53/00/785295300.db2.gz MJLZRSXGOQZAJQ-NSHDSACASA-N 1 2 330.344 2.391 20 5 EEBDLO Cn1c[nH+]cc1CCC(=O)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107297972 786758390 /nfs/dbraw/zinc/75/83/90/786758390.db2.gz QIANJFAWPLEKOJ-SNAWJCMRSA-N 1 2 343.387 2.045 20 5 EEBDLO Cc1ccc(NC/C=C/CNC(=O)CCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001107445533 787258905 /nfs/dbraw/zinc/25/89/05/787258905.db2.gz JHCPVNYWOKQLIA-NSCUHMNNSA-N 1 2 343.387 2.274 20 5 EEBDLO O=C(CCn1cc[nH+]c1)NC/C=C\CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107445603 787259118 /nfs/dbraw/zinc/25/91/18/787259118.db2.gz LJGVLFMWUVAJHG-UPHRSURJSA-N 1 2 347.350 2.105 20 5 EEBDLO C[C@H]1CCCCN1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000912143261 788001547 /nfs/dbraw/zinc/00/15/47/788001547.db2.gz YXXAIVBDAURREA-LBPRGKRZSA-N 1 2 329.360 2.300 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000846018052 790024053 /nfs/dbraw/zinc/02/40/53/790024053.db2.gz KIVVPRAJBYUWRR-CYBMUJFWSA-N 1 2 346.362 2.416 20 5 EEBDLO O=C(CCc1[nH]cc[nH+]1)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001110124219 793336063 /nfs/dbraw/zinc/33/60/63/793336063.db2.gz GTXJTPGLWPVQFV-UHFFFAOYSA-N 1 2 347.350 2.151 20 5 EEBDLO CCOC(=O)c1cccc([N+](=O)[O-])c1NCC1([NH+]2CCCC2)COC1 ZINC001168452008 795099348 /nfs/dbraw/zinc/09/93/48/795099348.db2.gz WFWNPFANGCNVLT-UHFFFAOYSA-N 1 2 349.387 2.048 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CCc2[nH+]ccn2C)c1 ZINC001094907157 796984664 /nfs/dbraw/zinc/98/46/64/796984664.db2.gz DQIFRSHQYCRBON-UHFFFAOYSA-N 1 2 345.403 2.188 20 5 EEBDLO Cc1nnc2n1CC[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172916521 797148957 /nfs/dbraw/zinc/14/89/57/797148957.db2.gz TVSPVKKMXPILJU-OAHLLOKOSA-N 1 2 327.388 2.258 20 5 EEBDLO Cc1nnc2n1CC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172916521 797148960 /nfs/dbraw/zinc/14/89/60/797148960.db2.gz TVSPVKKMXPILJU-OAHLLOKOSA-N 1 2 327.388 2.258 20 5 EEBDLO COC(=O)CC[C@H]1COCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173238295 797323425 /nfs/dbraw/zinc/32/34/25/797323425.db2.gz OWTGQDLULWVTSQ-CJNGLKHVSA-N 1 2 336.388 2.180 20 5 EEBDLO COC(=O)CC[C@H]1COCC[N@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173238295 797323429 /nfs/dbraw/zinc/32/34/29/797323429.db2.gz OWTGQDLULWVTSQ-CJNGLKHVSA-N 1 2 336.388 2.180 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001109472242 805524296 /nfs/dbraw/zinc/52/42/96/805524296.db2.gz BWXSYVJBOZKNFI-UHFFFAOYSA-N 1 2 331.376 2.060 20 5 EEBDLO CCOC(=O)c1cc(C(=O)OCc2cc[nH+]c(N)c2)cc([N+](=O)[O-])c1 ZINC000787584433 807159360 /nfs/dbraw/zinc/15/93/60/807159360.db2.gz ITIVNNIQCRANOX-UHFFFAOYSA-N 1 2 345.311 2.106 20 5 EEBDLO CCN(CCn1cc[nH+]c1)c1nc(SC)nc(Cl)c1[N+](=O)[O-] ZINC001157460604 808117570 /nfs/dbraw/zinc/11/75/70/808117570.db2.gz XNYBBXODUOUXPN-UHFFFAOYSA-N 1 2 342.812 2.483 20 5 EEBDLO CC[C@@H](C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000411534828 529420715 /nfs/dbraw/zinc/42/07/15/529420715.db2.gz OQPZEJUJGYQCRV-ABAIWWIYSA-N 1 2 337.376 2.101 20 5 EEBDLO CN(CC(=O)N1CCC[C@@H]1c1[nH]cc[nH+]1)c1ccccc1[N+](=O)[O-] ZINC000371516147 282343915 /nfs/dbraw/zinc/34/39/15/282343915.db2.gz BFSTWAMMJFEKFV-CQSZACIVSA-N 1 2 329.360 2.118 20 5 EEBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000171916631 530004685 /nfs/dbraw/zinc/00/46/85/530004685.db2.gz FPXRZVDVWWGWBU-LBPRGKRZSA-N 1 2 331.294 2.190 20 5 EEBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000171916631 530004686 /nfs/dbraw/zinc/00/46/86/530004686.db2.gz FPXRZVDVWWGWBU-LBPRGKRZSA-N 1 2 331.294 2.190 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000426917763 241355366 /nfs/dbraw/zinc/35/53/66/241355366.db2.gz VYSZARUNPQFWIN-UHFFFAOYSA-N 1 2 340.339 2.490 20 5 EEBDLO C[C@H]1CSC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451692597 243206862 /nfs/dbraw/zinc/20/68/62/243206862.db2.gz UXIFZGZVFUPGCF-JQWIXIFHSA-N 1 2 332.385 2.262 20 5 EEBDLO Cc1sc(S(=O)(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000451947646 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/nfs/dbraw/zinc/08/65/92/1344086592.db2.gz AFRXOMYMFMUWRP-UHFFFAOYSA-N 1 2 349.391 2.401 20 5 EEBDLO COc1ccc(OCC[N@@H+](Cc2cnn[nH]2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001577071483 1344086595 /nfs/dbraw/zinc/08/65/95/1344086595.db2.gz AFRXOMYMFMUWRP-UHFFFAOYSA-N 1 2 349.391 2.401 20 5 EEBDLO COc1ccc(OCC[N@H+](Cc2c[nH]nn2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001577071483 1344086599 /nfs/dbraw/zinc/08/65/99/1344086599.db2.gz AFRXOMYMFMUWRP-UHFFFAOYSA-N 1 2 349.391 2.401 20 5 EEBDLO COc1ccc(OCC[N@@H+](Cc2c[nH]nn2)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001577071483 1344086603 /nfs/dbraw/zinc/08/66/03/1344086603.db2.gz AFRXOMYMFMUWRP-UHFFFAOYSA-N 1 2 349.391 2.401 20 5 EEBDLO Cn1c(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000927101375 1369864514 /nfs/dbraw/zinc/86/45/14/1369864514.db2.gz ZJZUTTDLPJPWGL-UHFFFAOYSA-N 1 2 329.360 2.045 20 5 EEBDLO Cc1noc([C@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC000782531693 1371307863 /nfs/dbraw/zinc/30/78/63/1371307863.db2.gz YAECPWKRIAXVPL-QMMMGPOBSA-N 1 2 337.311 2.105 20 5 EEBDLO Cc1nn(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000817365185 784743411 /nfs/dbraw/zinc/74/34/11/784743411.db2.gz RUDUTHVVNRDODM-AAEUAGOBSA-N 1 2 338.408 2.499 20 5 EEBDLO Cc1nn(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000817365185 784743419 /nfs/dbraw/zinc/74/34/19/784743419.db2.gz RUDUTHVVNRDODM-AAEUAGOBSA-N 1 2 338.408 2.499 20 5 EEBDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028481 786399578 /nfs/dbraw/zinc/39/95/78/786399578.db2.gz SKDCFSWRFBJNCN-YVSFHVDLSA-N 1 2 346.383 2.105 20 5 EEBDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028481 786399583 /nfs/dbraw/zinc/39/95/83/786399583.db2.gz SKDCFSWRFBJNCN-YVSFHVDLSA-N 1 2 346.383 2.105 20 5 EEBDLO C[N@@H+]1CCO[C@H](COc2cc([N+](=O)[O-])cc(F)c2Br)C1 ZINC001233902724 793893281 /nfs/dbraw/zinc/89/32/81/793893281.db2.gz KKMBRZMCVQOWBC-VIFPVBQESA-N 1 2 349.156 2.206 20 5 EEBDLO C[N@H+]1CCO[C@H](COc2cc([N+](=O)[O-])cc(F)c2Br)C1 ZINC001233902724 793893294 /nfs/dbraw/zinc/89/32/94/793893294.db2.gz KKMBRZMCVQOWBC-VIFPVBQESA-N 1 2 349.156 2.206 20 5 EEBDLO CCCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000030545272 794339390 /nfs/dbraw/zinc/33/93/90/794339390.db2.gz WMYGTOLWTLYKPG-OAHLLOKOSA-N 1 2 348.447 2.412 20 5 EEBDLO O=C(Cc1c[nH]c[nH+]1)NCCC1(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001090003635 799664055 /nfs/dbraw/zinc/66/40/55/799664055.db2.gz PPXCKOXYJOMHHK-UHFFFAOYSA-N 1 2 343.387 2.259 20 5 EEBDLO C[C@@H]([NH2+]Cc1cn(C[C@H]2CCCO2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000922540060 801281465 /nfs/dbraw/zinc/28/14/65/801281465.db2.gz GHAJUGAQBOGQPX-MLGOLLRUSA-N 1 2 331.376 2.216 20 5 EEBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC(n2cc[nH+]c2)C1 ZINC000790272671 808576146 /nfs/dbraw/zinc/57/61/46/808576146.db2.gz XQEFFOUOMIPLRP-UHFFFAOYSA-N 1 2 336.735 2.293 20 5 EEBDLO C[C@H]1OCC[C@]12C[N@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C[C@@H](C)O2 ZINC000790394738 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COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000268534056 252001208 /nfs/dbraw/zinc/00/12/08/252001208.db2.gz ZLWLYJWHEPOOMC-LBPRGKRZSA-N 1 2 331.376 2.410 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268534056 252001210 /nfs/dbraw/zinc/00/12/10/252001210.db2.gz ZLWLYJWHEPOOMC-LBPRGKRZSA-N 1 2 331.376 2.410 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000268534056 252001211 /nfs/dbraw/zinc/00/12/11/252001211.db2.gz ZLWLYJWHEPOOMC-LBPRGKRZSA-N 1 2 331.376 2.410 20 5 EEBDLO O=[N+]([O-])c1ccc2c(c1N1CCC([C@H](O)c3[nH]cc[nH+]3)CC1)CCN2 ZINC000369083836 285146134 /nfs/dbraw/zinc/14/61/34/285146134.db2.gz KEIYALYAAPLCGA-INIZCTEOSA-N 1 2 343.387 2.236 20 5 EEBDLO C[NH+](C)Cc1csc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 ZINC000170484569 255813391 /nfs/dbraw/zinc/81/33/91/255813391.db2.gz YSHBDCBWRFSRLS-UHFFFAOYSA-N 1 2 336.373 2.130 20 5 EEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC000267229149 256040120 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327.300 2.260 20 5 EEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000352407161 162124267 /nfs/dbraw/zinc/12/42/67/162124267.db2.gz RTYPBQVRLSOUDH-VIFPVBQESA-N 1 2 340.286 2.211 20 5 EEBDLO CCc1cnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000356251351 163380635 /nfs/dbraw/zinc/38/06/35/163380635.db2.gz JOAUZVFKLYCNOS-UHFFFAOYSA-N 1 2 341.327 2.261 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000364355890 165108717 /nfs/dbraw/zinc/10/87/17/165108717.db2.gz DIZOHGOITRMPMB-HUUCEWRRSA-N 1 2 337.807 2.040 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000364355890 165108721 /nfs/dbraw/zinc/10/87/21/165108721.db2.gz DIZOHGOITRMPMB-HUUCEWRRSA-N 1 2 337.807 2.040 20 5 EEBDLO CCCc1n[nH]c(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000123852763 222341543 /nfs/dbraw/zinc/34/15/43/222341543.db2.gz OIAQKQVTFHVVAY-DGCLKSJQSA-N 1 2 346.391 2.190 20 5 EEBDLO CCCc1[nH]nc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000123852763 222341546 /nfs/dbraw/zinc/34/15/46/222341546.db2.gz OIAQKQVTFHVVAY-DGCLKSJQSA-N 1 2 346.391 2.190 20 5 EEBDLO C[NH+](C)[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000272653270 269003830 /nfs/dbraw/zinc/00/38/30/269003830.db2.gz ZTTMFFUYRYPZNP-CQSZACIVSA-N 1 2 335.385 2.395 20 5 EEBDLO COC(=O)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000272799600 269021590 /nfs/dbraw/zinc/02/15/90/269021590.db2.gz ZMCQBHFPMMXXBT-UHFFFAOYSA-N 1 2 344.371 2.032 20 5 EEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccn2cc[nH+]c2c1 ZINC000189947276 274040896 /nfs/dbraw/zinc/04/08/96/274040896.db2.gz WWDUUAOWMGNJAV-UHFFFAOYSA-N 1 2 346.368 2.258 20 5 EEBDLO O=[N+]([O-])c1ccc2c(c1N1CCN(c3cccc[nH+]3)CC1)CCN2 ZINC000275382741 274243377 /nfs/dbraw/zinc/24/33/77/274243377.db2.gz PIVZQTCPPMAZPS-UHFFFAOYSA-N 1 2 325.372 2.284 20 5 EEBDLO C[C@H](O)c1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000289203717 275103746 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O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075552077 462729760 /nfs/dbraw/zinc/72/97/60/462729760.db2.gz MVPFQVJQGMYXAM-JTQLQIEISA-N 1 2 340.343 2.214 20 5 EEBDLO CN(C)c1[nH+]cccc1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000131072947 462790970 /nfs/dbraw/zinc/79/09/70/462790970.db2.gz XRNWPNXAVLEDMH-UHFFFAOYSA-N 1 2 332.335 2.054 20 5 EEBDLO CO[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000076347149 462846461 /nfs/dbraw/zinc/84/64/61/462846461.db2.gz FYJHKAMWYSAAFR-NSHDSACASA-N 1 2 327.768 2.298 20 5 EEBDLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000076347149 462846464 /nfs/dbraw/zinc/84/64/64/462846464.db2.gz FYJHKAMWYSAAFR-NSHDSACASA-N 1 2 327.768 2.298 20 5 EEBDLO CCO[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000076400834 462856313 /nfs/dbraw/zinc/85/63/13/462856313.db2.gz LWLQXNSPEYIMQX-ZDUSSCGKSA-N 1 2 337.376 2.043 20 5 EEBDLO CCO[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000076400834 462856319 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O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000187705672 464153093 /nfs/dbraw/zinc/15/30/93/464153093.db2.gz YBPFYYCJQUEKEE-UHFFFAOYSA-N 1 2 333.388 2.437 20 5 EEBDLO C[C@H](O)C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000264747813 464447786 /nfs/dbraw/zinc/44/77/86/464447786.db2.gz UNVNQHDKCKQYIA-JTQLQIEISA-N 1 2 341.795 2.280 20 5 EEBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCO1 ZINC000281460020 464463903 /nfs/dbraw/zinc/46/39/03/464463903.db2.gz RDGMFZBKCJUOAJ-ZDUSSCGKSA-N 1 2 337.376 2.043 20 5 EEBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCO1 ZINC000281460020 464463906 /nfs/dbraw/zinc/46/39/06/464463906.db2.gz RDGMFZBKCJUOAJ-ZDUSSCGKSA-N 1 2 337.376 2.043 20 5 EEBDLO CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCO1 ZINC000281545452 464497195 /nfs/dbraw/zinc/49/71/95/464497195.db2.gz OAWQSVGFNXCODP-CQSZACIVSA-N 1 2 344.371 2.422 20 5 EEBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCS(=O)(=O)C1 ZINC000265818017 464696469 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CC[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](CC)CO1 ZINC000593057619 468854565 /nfs/dbraw/zinc/85/45/65/468854565.db2.gz GMWQBZYCXNBBBI-CZUORRHYSA-N 1 2 335.404 2.447 20 5 EEBDLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595465175 468863780 /nfs/dbraw/zinc/86/37/80/468863780.db2.gz HANYOGLWENGCOR-UHFFFAOYSA-N 1 2 325.384 2.277 20 5 EEBDLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595465175 468863785 /nfs/dbraw/zinc/86/37/85/468863785.db2.gz HANYOGLWENGCOR-UHFFFAOYSA-N 1 2 325.384 2.277 20 5 EEBDLO Cc1ccc(CS(=O)(=O)Cc2cc(O)ccc2[N+](=O)[O-])c(C)[nH+]1 ZINC000593207151 468904361 /nfs/dbraw/zinc/90/43/61/468904361.db2.gz YYOHXGZLMASITM-UHFFFAOYSA-N 1 2 336.369 2.427 20 5 EEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000602614978 468966699 /nfs/dbraw/zinc/96/66/99/468966699.db2.gz OIHHLMREOUVVBG-ZDUSSCGKSA-N 1 2 345.321 2.130 20 5 EEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000602614978 468966705 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2.408 20 5 EEBDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744795 462820306 /nfs/dbraw/zinc/82/03/06/462820306.db2.gz ZPGJFLJTSTWHLO-AWEZNQCLSA-N 1 2 348.447 2.410 20 5 EEBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000015655811 462959016 /nfs/dbraw/zinc/95/90/16/462959016.db2.gz SPFCVSCIFBQJOB-RMKNXTFCSA-N 1 2 338.367 2.352 20 5 EEBDLO O=C1NCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000156225915 462995359 /nfs/dbraw/zinc/99/53/59/462995359.db2.gz QJFOPJFWMLXUNJ-KRWDZBQOSA-N 1 2 341.367 2.147 20 5 EEBDLO O=C1NCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000156225915 462995361 /nfs/dbraw/zinc/99/53/61/462995361.db2.gz QJFOPJFWMLXUNJ-KRWDZBQOSA-N 1 2 341.367 2.147 20 5 EEBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000120727492 463031889 /nfs/dbraw/zinc/03/18/89/463031889.db2.gz YIMRJWIRBZDOTH-CQSZACIVSA-N 1 2 330.344 2.451 20 5 EEBDLO CC(C)(C)CCNC(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000051374201 463033141 /nfs/dbraw/zinc/03/31/41/463033141.db2.gz WZTVVXOBMAXTCN-UHFFFAOYSA-N 1 2 348.447 2.269 20 5 EEBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000026916857 463176933 /nfs/dbraw/zinc/17/69/33/463176933.db2.gz TVOBZRCWBVWKKE-KRWDZBQOSA-N 1 2 325.368 2.268 20 5 EEBDLO CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000026916857 463176934 /nfs/dbraw/zinc/17/69/34/463176934.db2.gz TVOBZRCWBVWKKE-KRWDZBQOSA-N 1 2 325.368 2.268 20 5 EEBDLO COc1ccc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1[N+](=O)[O-] ZINC000158126434 463208670 /nfs/dbraw/zinc/20/86/70/463208670.db2.gz FBJSBHVBBMWWQJ-JKIFEVAISA-N 1 2 336.388 2.372 20 5 EEBDLO COc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1[N+](=O)[O-] ZINC000158126434 463208674 /nfs/dbraw/zinc/20/86/74/463208674.db2.gz FBJSBHVBBMWWQJ-JKIFEVAISA-N 1 2 336.388 2.372 20 5 EEBDLO C[C@@H](N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000137070619 463275136 /nfs/dbraw/zinc/27/51/36/463275136.db2.gz LBGADAWMUCMNQC-RISCZKNCSA-N 1 2 347.337 2.197 20 5 EEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cs1 ZINC000069802543 463327098 /nfs/dbraw/zinc/32/70/98/463327098.db2.gz MILKIMGYWFIHOV-ZDUSSCGKSA-N 1 2 325.434 2.201 20 5 EEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cs1 ZINC000069802543 463327104 /nfs/dbraw/zinc/32/71/04/463327104.db2.gz MILKIMGYWFIHOV-ZDUSSCGKSA-N 1 2 325.434 2.201 20 5 EEBDLO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1n1cc[nH+]c1 ZINC000124299518 463407057 /nfs/dbraw/zinc/40/70/57/463407057.db2.gz FGDUNXOKCQRGHU-FZMZJTMJSA-N 1 2 329.360 2.097 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104970113 463430458 /nfs/dbraw/zinc/43/04/58/463430458.db2.gz WFFDQIAVWGCWSE-STQMWFEESA-N 1 2 336.392 2.134 20 5 EEBDLO C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[N@@H+]1CCCC[C@H]1C ZINC000043085836 463618919 /nfs/dbraw/zinc/61/89/19/463618919.db2.gz CYDYHXBYAJUJMQ-NEPJUHHUSA-N 1 2 345.403 2.464 20 5 EEBDLO C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[N@H+]1CCCC[C@H]1C ZINC000043085836 463618924 /nfs/dbraw/zinc/61/89/24/463618924.db2.gz CYDYHXBYAJUJMQ-NEPJUHHUSA-N 1 2 345.403 2.464 20 5 EEBDLO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000184861543 463709205 /nfs/dbraw/zinc/70/92/05/463709205.db2.gz IRQCUKMMIZWPQU-LBPRGKRZSA-N 1 2 343.347 2.250 20 5 EEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000178289362 463874492 /nfs/dbraw/zinc/87/44/92/463874492.db2.gz XJDGVTFLINOHHL-LLVKDONJSA-N 1 2 334.401 2.485 20 5 EEBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269654190 464048042 /nfs/dbraw/zinc/04/80/42/464048042.db2.gz NWJLDXFYIRMBID-CABCVRRESA-N 1 2 336.388 2.434 20 5 EEBDLO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269654190 464048048 /nfs/dbraw/zinc/04/80/48/464048048.db2.gz NWJLDXFYIRMBID-CABCVRRESA-N 1 2 336.388 2.434 20 5 EEBDLO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000263531545 464124012 /nfs/dbraw/zinc/12/40/12/464124012.db2.gz WTVNEOYCNYDIFN-UHFFFAOYSA-N 1 2 339.417 2.074 20 5 EEBDLO O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000263531545 464124017 /nfs/dbraw/zinc/12/40/17/464124017.db2.gz WTVNEOYCNYDIFN-UHFFFAOYSA-N 1 2 339.417 2.074 20 5 EEBDLO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@]1=O ZINC000351924869 465447096 /nfs/dbraw/zinc/44/70/96/465447096.db2.gz JBJVCXXASPUQNG-OIRASMEMSA-N 1 2 349.412 2.245 20 5 EEBDLO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@]1=O ZINC000351924869 465447101 /nfs/dbraw/zinc/44/71/01/465447101.db2.gz JBJVCXXASPUQNG-OIRASMEMSA-N 1 2 349.412 2.245 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](O)C1 ZINC000298650179 465460488 /nfs/dbraw/zinc/46/04/88/465460488.db2.gz XOXLAEVMDATMQQ-GXSJLCMTSA-N 1 2 327.768 2.032 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](O)C1 ZINC000298650179 465460493 /nfs/dbraw/zinc/46/04/93/465460493.db2.gz XOXLAEVMDATMQQ-GXSJLCMTSA-N 1 2 327.768 2.032 20 5 EEBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180603138 464346604 /nfs/dbraw/zinc/34/66/04/464346604.db2.gz XTFGUASTQKVWDY-UHFFFAOYSA-N 1 2 339.355 2.265 20 5 EEBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000174741613 464445348 /nfs/dbraw/zinc/44/53/48/464445348.db2.gz HNMREEWWWAWNRX-SNVBAGLBSA-N 1 2 328.365 2.214 20 5 EEBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000174741613 464445357 /nfs/dbraw/zinc/44/53/57/464445357.db2.gz HNMREEWWWAWNRX-SNVBAGLBSA-N 1 2 328.365 2.214 20 5 EEBDLO CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000281584877 464513323 /nfs/dbraw/zinc/51/33/23/464513323.db2.gz WWEWEPFZDXSAKG-GUYCJALGSA-N 1 2 347.394 2.377 20 5 EEBDLO CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000281584877 464513327 /nfs/dbraw/zinc/51/33/27/464513327.db2.gz WWEWEPFZDXSAKG-GUYCJALGSA-N 1 2 347.394 2.377 20 5 EEBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H](CO)c3ccccc3)n2)cc1 ZINC000182910460 464756974 /nfs/dbraw/zinc/75/69/74/464756974.db2.gz TWMPENZNBYUWOZ-OAHLLOKOSA-N 1 2 340.339 2.468 20 5 EEBDLO CC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000286166591 464825812 /nfs/dbraw/zinc/82/58/12/464825812.db2.gz WOJPOEHJMGODSB-OFERSUALSA-N 1 2 326.418 2.205 20 5 EEBDLO CC[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000286166591 464825818 /nfs/dbraw/zinc/82/58/18/464825818.db2.gz WOJPOEHJMGODSB-OFERSUALSA-N 1 2 326.418 2.205 20 5 EEBDLO CC(=O)c1ccc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286202420 464837915 /nfs/dbraw/zinc/83/79/15/464837915.db2.gz BVIJVZUZYXYQAZ-SWLSCSKDSA-N 1 2 333.388 2.097 20 5 EEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000286497033 464940515 /nfs/dbraw/zinc/94/05/15/464940515.db2.gz XVLWWKCQKZGPDV-HIFRSBDPSA-N 1 2 342.399 2.442 20 5 EEBDLO CCc1nocc1C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000339608175 465382717 /nfs/dbraw/zinc/38/27/17/465382717.db2.gz MNKYXTDLOGUWFF-MRXNPFEDSA-N 1 2 344.371 2.383 20 5 EEBDLO CCc1nocc1C[N@@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000339608175 465382724 /nfs/dbraw/zinc/38/27/24/465382724.db2.gz MNKYXTDLOGUWFF-MRXNPFEDSA-N 1 2 344.371 2.383 20 5 EEBDLO Cc1cc(N2CC[S@](=O)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339684950 465441868 /nfs/dbraw/zinc/44/18/68/465441868.db2.gz ZYJMKZNKHSKIAO-YYUOZPCZSA-N 1 2 346.412 2.317 20 5 EEBDLO O=[N+]([O-])c1cc2c(cc1C[NH2+]Cc1nnc(C3CC3)s1)OCCO2 ZINC000591266111 468434436 /nfs/dbraw/zinc/43/44/36/468434436.db2.gz HSNMWRVUDTZICK-UHFFFAOYSA-N 1 2 348.384 2.385 20 5 EEBDLO C[NH+](C)Cc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1F ZINC000356725537 465507753 /nfs/dbraw/zinc/50/77/53/465507753.db2.gz JRPGLZIOMZGRLU-UHFFFAOYSA-N 1 2 347.346 2.431 20 5 EEBDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000361107996 465769481 /nfs/dbraw/zinc/76/94/81/465769481.db2.gz BOSGBIYZSPSFLR-GUYCJALGSA-N 1 2 336.388 2.373 20 5 EEBDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000361107996 465769485 /nfs/dbraw/zinc/76/94/85/465769485.db2.gz BOSGBIYZSPSFLR-GUYCJALGSA-N 1 2 336.388 2.373 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]12CCNC2=O ZINC000593998314 468455066 /nfs/dbraw/zinc/45/50/66/468455066.db2.gz GIRSWIPZIJFXAA-QGZVFWFLSA-N 1 2 333.388 2.237 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]12CCNC2=O ZINC000593998314 468455069 /nfs/dbraw/zinc/45/50/69/468455069.db2.gz GIRSWIPZIJFXAA-QGZVFWFLSA-N 1 2 333.388 2.237 20 5 EEBDLO CNc1c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000361221060 465846010 /nfs/dbraw/zinc/84/60/10/465846010.db2.gz OOTJFOFKLWMBCO-NSHDSACASA-N 1 2 329.360 2.379 20 5 EEBDLO CNc1c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000361221059 465846365 /nfs/dbraw/zinc/84/63/65/465846365.db2.gz OOTJFOFKLWMBCO-LLVKDONJSA-N 1 2 329.360 2.379 20 5 EEBDLO CC(C)[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000331588441 466151199 /nfs/dbraw/zinc/15/11/99/466151199.db2.gz BEZJLLPWBKWUFU-CVEARBPZSA-N 1 2 333.388 2.057 20 5 EEBDLO CC(C)[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000331588441 466151205 /nfs/dbraw/zinc/15/12/05/466151205.db2.gz BEZJLLPWBKWUFU-CVEARBPZSA-N 1 2 333.388 2.057 20 5 EEBDLO CC(C)(C)[C@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000331606600 466159958 /nfs/dbraw/zinc/15/99/58/466159958.db2.gz DPBPEXXBVFCVCG-JKSUJKDBSA-N 1 2 347.415 2.447 20 5 EEBDLO CC(C)(C)[C@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000331606600 466159963 /nfs/dbraw/zinc/15/99/63/466159963.db2.gz DPBPEXXBVFCVCG-JKSUJKDBSA-N 1 2 347.415 2.447 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc(N)[nH+]c1 ZINC000338515995 466184588 /nfs/dbraw/zinc/18/45/88/466184588.db2.gz 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EEBDLO CS(=O)(=O)c1ccc(NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000354393858 466534826 /nfs/dbraw/zinc/53/48/26/466534826.db2.gz QSNZIGKYFMOJFG-UHFFFAOYSA-N 1 2 346.368 2.258 20 5 EEBDLO CC(C)Oc1cc(C(=O)N(C)Cc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000411361593 466814435 /nfs/dbraw/zinc/81/44/35/466814435.db2.gz ADEGCUAXNKPPMH-UHFFFAOYSA-N 1 2 332.360 2.388 20 5 EEBDLO CC[C@H](C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000411520004 466840216 /nfs/dbraw/zinc/84/02/16/466840216.db2.gz OQPZEJUJGYQCRV-NHYWBVRUSA-N 1 2 337.376 2.101 20 5 EEBDLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411933020 466939256 /nfs/dbraw/zinc/93/92/56/466939256.db2.gz GKVCJSGZPJSKNY-YOEHRIQHSA-N 1 2 341.367 2.341 20 5 EEBDLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411933020 466939258 /nfs/dbraw/zinc/93/92/58/466939258.db2.gz GKVCJSGZPJSKNY-YOEHRIQHSA-N 1 2 341.367 2.341 20 5 EEBDLO CC(C)Cc1noc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000365822333 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CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC000950056124 1210001384 /nfs/dbraw/zinc/00/13/84/1210001384.db2.gz SYONGQKKSGSWRQ-QZTJIDSGSA-N 1 2 343.427 2.262 20 5 EEBDLO CC(C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(=O)N1CCCC1 ZINC000796058808 1215269454 /nfs/dbraw/zinc/26/94/54/1215269454.db2.gz SRIQGKKWQXNPLE-UHFFFAOYSA-N 1 2 327.331 2.364 20 5 EEBDLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097180375 1243791982 /nfs/dbraw/zinc/79/19/82/1243791982.db2.gz KNZQHBDUGXWBEF-PHIMTYICSA-N 1 2 347.350 2.149 20 5 EEBDLO Cc1cc(N[C@H]2C[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)ccc1[N+](=O)[O-] ZINC001097262219 1243889395 /nfs/dbraw/zinc/88/93/95/1243889395.db2.gz HQWOXXQJFHUYMB-GASCZTMLSA-N 1 2 343.387 2.318 20 5 EEBDLO Cc1cc(N[C@H]2C[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)ccc1[N+](=O)[O-] ZINC001097262219 1243889402 /nfs/dbraw/zinc/88/94/02/1243889402.db2.gz HQWOXXQJFHUYMB-GASCZTMLSA-N 1 2 343.387 2.318 20 5 EEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)CO1 ZINC000855413788 1293207982 /nfs/dbraw/zinc/20/79/82/1293207982.db2.gz QRMRVKJIYLZZQL-WDEREUQCSA-N 1 2 341.795 2.087 20 5 EEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)CO1 ZINC000855413788 1293207988 /nfs/dbraw/zinc/20/79/88/1293207988.db2.gz QRMRVKJIYLZZQL-WDEREUQCSA-N 1 2 341.795 2.087 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4C[C@H]5C[C@@H]4C[NH2+]5)c3nc2cc1C ZINC001218140941 1297582166 /nfs/dbraw/zinc/58/21/66/1297582166.db2.gz AMEBLKLSBMGNNE-GYSYKLTISA-N 1 2 337.383 2.025 20 5 EEBDLO O=C(CCc1[nH]cc[nH+]1)NCC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC001111794433 1303897255 /nfs/dbraw/zinc/89/72/55/1303897255.db2.gz SKOLRAZQKHEZKS-UHFFFAOYSA-N 1 2 343.387 2.402 20 5 EEBDLO O=C(Cc1c[nH]c[nH+]1)NCC1(Nc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC001111910994 1304076057 /nfs/dbraw/zinc/07/60/57/1304076057.db2.gz RPKXHRBMBBJNTB-UHFFFAOYSA-N 1 2 347.350 2.151 20 5 EEBDLO Cc1ncc([N+](=O)[O-])c(N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)n1 ZINC001155092825 1317453338 /nfs/dbraw/zinc/45/33/38/1317453338.db2.gz VHHRHFCJHTXIKC-INIZCTEOSA-N 1 2 325.372 2.113 20 5 EEBDLO Cc1ncc([N+](=O)[O-])c(N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)n1 ZINC001155092825 1317453344 /nfs/dbraw/zinc/45/33/44/1317453344.db2.gz VHHRHFCJHTXIKC-INIZCTEOSA-N 1 2 325.372 2.113 20 5 EEBDLO COC(=O)[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001254536448 1318114569 /nfs/dbraw/zinc/11/45/69/1318114569.db2.gz PALTUOCAVLGFBR-MLGOLLRUSA-N 1 2 336.388 2.084 20 5 EEBDLO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254550685 1318119103 /nfs/dbraw/zinc/11/91/03/1318119103.db2.gz ORYWYEGCXUQBKU-WFASDCNBSA-N 1 2 346.387 2.028 20 5 EEBDLO O=C(c1ccco1)N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599302 1318140392 /nfs/dbraw/zinc/14/03/92/1318140392.db2.gz NLFFHUABSTXKDT-MRXNPFEDSA-N 1 2 341.367 2.113 20 5 EEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001308112759 1331566285 /nfs/dbraw/zinc/56/62/85/1331566285.db2.gz LCTHYBZZISZSEL-QWHCGFSZSA-N 1 2 341.371 2.201 20 5 EEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001308112759 1331566295 /nfs/dbraw/zinc/56/62/95/1331566295.db2.gz LCTHYBZZISZSEL-QWHCGFSZSA-N 1 2 341.371 2.201 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001319226531 1332668049 /nfs/dbraw/zinc/66/80/49/1332668049.db2.gz CLYSWURMWLTVIN-UHFFFAOYSA-N 1 2 341.433 2.008 20 5 EEBDLO CC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC001604107127 1350860001 /nfs/dbraw/zinc/86/00/01/1350860001.db2.gz CIXBNXRMIRWGRS-KBPBESRZSA-N 1 2 346.391 2.164 20 5 EEBDLO CC[C@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](CC)CO1 ZINC001604107127 1350860004 /nfs/dbraw/zinc/86/00/04/1350860004.db2.gz CIXBNXRMIRWGRS-KBPBESRZSA-N 1 2 346.391 2.164 20 5 EEBDLO C[C@]([NH3+])(C(=O)OCCCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC001576084881 1403559866 /nfs/dbraw/zinc/55/98/66/1403559866.db2.gz GWQRGLVJGQEZBK-QGZVFWFLSA-N 1 2 329.356 2.340 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2Cl)CC1 ZINC000981137079 776581140 /nfs/dbraw/zinc/58/11/40/776581140.db2.gz MCFRVRJSUFRCCS-UKRRQHHQSA-N 1 2 337.807 2.040 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2Cl)CC1 ZINC000981137079 776581143 /nfs/dbraw/zinc/58/11/43/776581143.db2.gz MCFRVRJSUFRCCS-UKRRQHHQSA-N 1 2 337.807 2.040 20 5 EEBDLO CC(C)(CCC(=O)N1CC[NH+](Cc2cccs2)CC1)[N+](=O)[O-] ZINC000822224220 787081358 /nfs/dbraw/zinc/08/13/58/787081358.db2.gz AFHQLHYICTVDKF-UHFFFAOYSA-N 1 2 325.434 2.228 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000045959801 789800961 /nfs/dbraw/zinc/80/09/61/789800961.db2.gz HTNQDVBEFZQQIM-JTQLQIEISA-N 1 2 342.783 2.090 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2cccc3[nH+]ccn32)c1 ZINC001093986103 795836391 /nfs/dbraw/zinc/83/63/91/795836391.db2.gz AMBNSRULHHWVTE-UHFFFAOYSA-N 1 2 339.355 2.393 20 5 EEBDLO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)Cc1[nH]c[nH+]c1C ZINC001106813799 796690223 /nfs/dbraw/zinc/69/02/23/796690223.db2.gz TYPAHMGDKSAVMR-UHFFFAOYSA-N 1 2 331.376 2.129 20 5 EEBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)c1ccc[nH]1 ZINC001002330923 797914247 /nfs/dbraw/zinc/91/42/47/797914247.db2.gz BTNFWKKBRWWEII-UHFFFAOYSA-N 1 2 334.401 2.379 20 5 EEBDLO CC(C)C[C@@H]1C[N@H+](C)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000922027486 798701009 /nfs/dbraw/zinc/70/10/09/798701009.db2.gz YUXRQEFHUVTECH-LLVKDONJSA-N 1 2 347.462 2.007 20 5 EEBDLO CC(C)C[C@@H]1C[N@@H+](C)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000922027486 798701010 /nfs/dbraw/zinc/70/10/10/798701010.db2.gz YUXRQEFHUVTECH-LLVKDONJSA-N 1 2 347.462 2.007 20 5 EEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000789510003 808033644 /nfs/dbraw/zinc/03/36/44/808033644.db2.gz WNUVWOFMUKCYST-GXTWGEPZSA-N 1 2 333.344 2.104 20 5 EEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000789510003 808033649 /nfs/dbraw/zinc/03/36/49/808033649.db2.gz WNUVWOFMUKCYST-GXTWGEPZSA-N 1 2 333.344 2.104 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000792874660 810048714 /nfs/dbraw/zinc/04/87/14/810048714.db2.gz GEAIUPWOZAKYPL-AWEZNQCLSA-N 1 2 335.291 2.465 20 5 EEBDLO Cn1c[nH+]cc1CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000356778631 539911183 /nfs/dbraw/zinc/91/11/83/539911183.db2.gz LZRXBNMQPRXMPC-UHFFFAOYSA-N 1 2 332.363 2.345 20 5 EEBDLO CC(C)[C@@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000451552256 243157290 /nfs/dbraw/zinc/15/72/90/243157290.db2.gz WIDXPVLLJYRHIJ-CYBMUJFWSA-N 1 2 338.389 2.135 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245900150 243170275 /nfs/dbraw/zinc/17/02/75/243170275.db2.gz LBCWNKBFBPFUDV-BONVTDFDSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@](C)(O)C1 ZINC000245900150 243170281 /nfs/dbraw/zinc/17/02/81/243170281.db2.gz LBCWNKBFBPFUDV-BONVTDFDSA-N 1 2 341.795 2.422 20 5 EEBDLO Cn1nnc2cc(C[NH+]3CC(Oc4ccc([N+](=O)[O-])cc4)C3)ccc21 ZINC000459619488 245190506 /nfs/dbraw/zinc/19/05/06/245190506.db2.gz JABMRDBZEGFNIF-UHFFFAOYSA-N 1 2 339.355 2.140 20 5 EEBDLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000268568148 252029741 /nfs/dbraw/zinc/02/97/41/252029741.db2.gz LAPRNGNZFIIYFR-GFCCVEGCSA-N 1 2 340.401 2.084 20 5 EEBDLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000268568148 252029745 /nfs/dbraw/zinc/02/97/45/252029745.db2.gz LAPRNGNZFIIYFR-GFCCVEGCSA-N 1 2 340.401 2.084 20 5 EEBDLO O=[N+]([O-])c1cc(Cl)ccc1CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000341518145 285089022 /nfs/dbraw/zinc/08/90/22/285089022.db2.gz QOWDHRCKFDDEOG-UHFFFAOYSA-N 1 2 335.795 2.289 20 5 EEBDLO CC[C@H](C)[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC ZINC000273254026 256280939 /nfs/dbraw/zinc/28/09/39/256280939.db2.gz DOJPBZTVGCQEPE-NHYWBVRUSA-N 1 2 340.376 2.160 20 5 EEBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000273717579 256321108 /nfs/dbraw/zinc/32/11/08/256321108.db2.gz RGCQPEMHRFPCFT-RKDXNWHRSA-N 1 2 335.389 2.433 20 5 EEBDLO COc1ccc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000273869394 256334395 /nfs/dbraw/zinc/33/43/95/256334395.db2.gz MXWDLTZBHKBNLQ-CQSZACIVSA-N 1 2 346.343 2.189 20 5 EEBDLO COc1ccc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000273869394 256334396 /nfs/dbraw/zinc/33/43/96/256334396.db2.gz MXWDLTZBHKBNLQ-CQSZACIVSA-N 1 2 346.343 2.189 20 5 EEBDLO Cc1ccc(C[NH+]2CCN(c3nccnc3C)CC2)cc1[N+](=O)[O-] ZINC000374214887 154007343 /nfs/dbraw/zinc/00/73/43/154007343.db2.gz AJEIQTPEOJAQJI-UHFFFAOYSA-N 1 2 327.388 2.324 20 5 EEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248966218 160369527 /nfs/dbraw/zinc/36/95/27/160369527.db2.gz BSALJAOSBZBUJB-JHJVBQTASA-N 1 2 349.387 2.053 20 5 EEBDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248966218 160369529 /nfs/dbraw/zinc/36/95/29/160369529.db2.gz BSALJAOSBZBUJB-JHJVBQTASA-N 1 2 349.387 2.053 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000341718014 161008423 /nfs/dbraw/zinc/00/84/23/161008423.db2.gz JMJQIERNZMZEOM-AWEZNQCLSA-N 1 2 330.344 2.218 20 5 EEBDLO Cc1ccc2[nH+]c(CNC(=O)COc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000342170420 161045004 /nfs/dbraw/zinc/04/50/04/161045004.db2.gz LDVIXUKKDPROBZ-UHFFFAOYSA-N 1 2 340.339 2.246 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000342271676 161052413 /nfs/dbraw/zinc/05/24/13/161052413.db2.gz LYAJGCSNVAKEPT-UHFFFAOYSA-N 1 2 340.339 2.490 20 5 EEBDLO NC(=O)c1cccc(NCc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000342415763 161063616 /nfs/dbraw/zinc/06/36/16/161063616.db2.gz NPGOEFPJXWSOOI-UHFFFAOYSA-N 1 2 337.339 2.492 20 5 EEBDLO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000344131015 161200799 /nfs/dbraw/zinc/20/07/99/161200799.db2.gz NBQLBDACIXXXOL-MNOVXSKESA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@@H]1C[C@@H](CO)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000344131015 161200800 /nfs/dbraw/zinc/20/08/00/161200800.db2.gz NBQLBDACIXXXOL-MNOVXSKESA-N 1 2 341.795 2.280 20 5 EEBDLO Cc1[nH]nc(C(=O)Nc2ccc3[nH+]c(N(C)C)ccc3c2)c1[N+](=O)[O-] ZINC000354841023 162985778 /nfs/dbraw/zinc/98/57/78/162985778.db2.gz UOZAAUBLAUTROK-UHFFFAOYSA-N 1 2 340.343 2.493 20 5 EEBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000356077625 163326764 /nfs/dbraw/zinc/32/67/64/163326764.db2.gz MUOFSHAKHHMWFM-GXTWGEPZSA-N 1 2 344.371 2.325 20 5 EEBDLO COc1cc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000375658227 167176277 /nfs/dbraw/zinc/17/62/77/167176277.db2.gz PYQCKJBSFMLBJH-HNNXBMFYSA-N 1 2 332.360 2.277 20 5 EEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000163933772 226030900 /nfs/dbraw/zinc/03/09/00/226030900.db2.gz UFKTXACUJZXINR-AWEZNQCLSA-N 1 2 341.371 2.068 20 5 EEBDLO 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O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000289984659 275167857 /nfs/dbraw/zinc/16/78/57/275167857.db2.gz XZWZLCHTPQPRSP-GHMZBOCLSA-N 1 2 335.187 2.219 20 5 EEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000290588192 275220666 /nfs/dbraw/zinc/22/06/66/275220666.db2.gz WZCNFMBOSZBESV-NSHDSACASA-N 1 2 329.360 2.184 20 5 EEBDLO C[C@@H]1CCC[C@@]1(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000294456586 293458393 /nfs/dbraw/zinc/45/83/93/293458393.db2.gz WEPMRNWLRUCKHW-SJKOYZFVSA-N 1 2 344.371 2.061 20 5 EEBDLO COc1ccc(OCC[N@H+](C)[C@@H](C)c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000563358756 319000615 /nfs/dbraw/zinc/00/06/15/319000615.db2.gz QMMPRGRZFQRNPU-JTQLQIEISA-N 1 2 336.348 2.367 20 5 EEBDLO COc1ccc(OCC[N@@H+](C)[C@@H](C)c2nc(C)no2)c([N+](=O)[O-])c1 ZINC000563358756 319000617 /nfs/dbraw/zinc/00/06/17/319000617.db2.gz QMMPRGRZFQRNPU-JTQLQIEISA-N 1 2 336.348 2.367 20 5 EEBDLO C[C@H](O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 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COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430226224 467410113 /nfs/dbraw/zinc/41/01/13/467410113.db2.gz MSWRJMWXQCPAAX-CYBMUJFWSA-N 1 2 340.401 2.084 20 5 EEBDLO COc1cc[nH+]cc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000431435193 467516579 /nfs/dbraw/zinc/51/65/79/467516579.db2.gz ZILWOHYHBWERNA-UHFFFAOYSA-N 1 2 337.357 2.014 20 5 EEBDLO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1ccc(N)[nH+]c1 ZINC000447799695 467588457 /nfs/dbraw/zinc/58/84/57/467588457.db2.gz LDDWVIPGJBQJRD-UHFFFAOYSA-N 1 2 336.735 2.624 20 5 EEBDLO CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449745755 467704926 /nfs/dbraw/zinc/70/49/26/467704926.db2.gz OOCZIIAHGCJBIV-LBPRGKRZSA-N 1 2 340.811 2.484 20 5 EEBDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449745755 467704928 /nfs/dbraw/zinc/70/49/28/467704928.db2.gz OOCZIIAHGCJBIV-LBPRGKRZSA-N 1 2 340.811 2.484 20 5 EEBDLO C[C@H](O)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449935429 467746765 /nfs/dbraw/zinc/74/67/65/467746765.db2.gz QYPLFJSEJNCCNI-LBPRGKRZSA-N 1 2 346.387 2.307 20 5 EEBDLO CN(C[C@H]1CCC[C@H]1O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450228390 467803368 /nfs/dbraw/zinc/80/33/68/467803368.db2.gz BPVPAJWSKUSLQB-CZUORRHYSA-N 1 2 344.371 2.014 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450253320 467809925 /nfs/dbraw/zinc/80/99/25/467809925.db2.gz NYEWHZRHSJCEQY-UHFFFAOYSA-N 1 2 345.371 2.459 20 5 EEBDLO C[C@@H](Cn1cccn1)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000472356749 467988373 /nfs/dbraw/zinc/98/83/73/467988373.db2.gz UNBCOLVXMZMZPG-AWEZNQCLSA-N 1 2 345.403 2.124 20 5 EEBDLO COc1ccc(OC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000516128524 468013896 /nfs/dbraw/zinc/01/38/96/468013896.db2.gz JOLJIUQYZMCVNS-UHFFFAOYSA-N 1 2 346.387 2.380 20 5 EEBDLO CC(C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1[N+](=O)[O-] ZINC000590455139 468260434 /nfs/dbraw/zinc/26/04/34/468260434.db2.gz PVQRRJCWNLVICF-LBPRGKRZSA-N 1 2 328.372 2.405 20 5 EEBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594514412 468613306 /nfs/dbraw/zinc/61/33/06/468613306.db2.gz XDPKHZKVKZKOTB-OCCSQVGLSA-N 1 2 329.360 2.342 20 5 EEBDLO CCC[C@@H](CCO)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000601212519 468783892 /nfs/dbraw/zinc/78/38/92/468783892.db2.gz NIDTUCMGYGDPHE-HNNXBMFYSA-N 1 2 337.420 2.390 20 5 EEBDLO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000614660618 469009873 /nfs/dbraw/zinc/00/98/73/469009873.db2.gz RLLDVSNPBJFQPE-GOSISDBHSA-N 1 2 339.351 2.396 20 5 EEBDLO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000614660618 469009879 /nfs/dbraw/zinc/00/98/79/469009879.db2.gz RLLDVSNPBJFQPE-GOSISDBHSA-N 1 2 339.351 2.396 20 5 EEBDLO CCc1nn(C)c(NCc2ccc[nH+]c2N2CCCC2)c1[N+](=O)[O-] ZINC000596358149 469250221 /nfs/dbraw/zinc/25/02/21/469250221.db2.gz XIABTHCXIUZTPP-UHFFFAOYSA-N 1 2 330.392 2.498 20 5 EEBDLO Cc1cc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)ncn1 ZINC000611560830 469279246 /nfs/dbraw/zinc/27/92/46/469279246.db2.gz KQYFEVXDOKUGNC-INIZCTEOSA-N 1 2 338.371 2.306 20 5 EEBDLO COc1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000612346759 469443993 /nfs/dbraw/zinc/44/39/93/469443993.db2.gz XGMKKQYUSILHCG-UHFFFAOYSA-N 1 2 346.343 2.325 20 5 EEBDLO CCOC(=O)c1ccnc(NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000133150574 528273339 /nfs/dbraw/zinc/27/33/39/528273339.db2.gz RHKYZLBYMZMDPQ-UHFFFAOYSA-N 1 2 341.327 2.426 20 5 EEBDLO O=[N+]([O-])c1ccc([C@@H](O)Cn2c3ccccc3[nH+]c2NCCO)cc1 ZINC000776271275 577456134 /nfs/dbraw/zinc/45/61/34/577456134.db2.gz JRMXUNKUMVVBAX-INIZCTEOSA-N 1 2 342.355 2.082 20 5 EEBDLO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000776279824 577456637 /nfs/dbraw/zinc/45/66/37/577456637.db2.gz YGLPXBFJEFYHTP-KRWDZBQOSA-N 1 2 331.372 2.039 20 5 EEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(Cc3ccco3)CC2)cc1 ZINC000776279824 577456638 /nfs/dbraw/zinc/45/66/38/577456638.db2.gz YGLPXBFJEFYHTP-KRWDZBQOSA-N 1 2 331.372 2.039 20 5 EEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000770665709 577601221 /nfs/dbraw/zinc/60/12/21/577601221.db2.gz PYTIPQPBHHXWRV-UHFFFAOYSA-N 1 2 342.355 2.309 20 5 EEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000770665709 577601222 /nfs/dbraw/zinc/60/12/22/577601222.db2.gz PYTIPQPBHHXWRV-UHFFFAOYSA-N 1 2 342.355 2.309 20 5 EEBDLO COc1cc(C)[nH+]c(COC(=O)c2cc(F)cc([N+](=O)[O-])c2N)c1 ZINC000757690045 577862528 /nfs/dbraw/zinc/86/25/28/577862528.db2.gz LPEKMZOVZDBOSD-UHFFFAOYSA-N 1 2 335.291 2.385 20 5 EEBDLO C[N@H+](CC(F)F)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000742236896 577869341 /nfs/dbraw/zinc/86/93/41/577869341.db2.gz ARXOHRJFTQYRPH-UHFFFAOYSA-N 1 2 341.358 2.325 20 5 EEBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000742236896 577869342 /nfs/dbraw/zinc/86/93/42/577869342.db2.gz ARXOHRJFTQYRPH-UHFFFAOYSA-N 1 2 341.358 2.325 20 5 EEBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)Cn1nccc1[N+](=O)[O-] ZINC000743375527 577884237 /nfs/dbraw/zinc/88/42/37/577884237.db2.gz IBDOPZIBOYPDFP-UHFFFAOYSA-N 1 2 326.360 2.126 20 5 EEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000747529102 577945810 /nfs/dbraw/zinc/94/58/10/577945810.db2.gz GXZGLDPZFLGEGZ-LBPRGKRZSA-N 1 2 349.284 2.329 20 5 EEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000747529102 577945811 /nfs/dbraw/zinc/94/58/11/577945811.db2.gz GXZGLDPZFLGEGZ-LBPRGKRZSA-N 1 2 349.284 2.329 20 5 EEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])c1ccnc(-n2cc[nH+]c2)c1 ZINC000742137522 578127923 /nfs/dbraw/zinc/12/79/23/578127923.db2.gz KZXYJIILJNRIKU-UHFFFAOYSA-N 1 2 337.339 2.148 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c(F)c1 ZINC000933053476 676421433 /nfs/dbraw/zinc/42/14/33/676421433.db2.gz ASJQCZADVRBDAM-LBPRGKRZSA-N 1 2 342.342 2.379 20 5 EEBDLO C[C@@H](Cn1cccn1)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176274795 677814793 /nfs/dbraw/zinc/81/47/93/677814793.db2.gz LXAFRLMJRKMRCO-LBPRGKRZSA-N 1 2 341.327 2.223 20 5 EEBDLO Cn1ncc([N+](=O)[O-])c1NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000892554217 681765264 /nfs/dbraw/zinc/76/52/64/681765264.db2.gz BNLBOQGRJZWUJA-NSHDSACASA-N 1 2 325.319 2.321 20 5 EEBDLO Cc1cc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025762178 683263802 /nfs/dbraw/zinc/26/38/02/683263802.db2.gz FHVHQMVBCTYJCI-JYAVWHMHSA-N 1 2 346.412 2.153 20 5 EEBDLO Cc1cc[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025762178 683263806 /nfs/dbraw/zinc/26/38/06/683263806.db2.gz FHVHQMVBCTYJCI-JYAVWHMHSA-N 1 2 346.412 2.153 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1Cl ZINC001029305312 683941697 /nfs/dbraw/zinc/94/16/97/683941697.db2.gz XLSZMDAUQZFZOS-HLPPOEQASA-N 1 2 349.818 2.180 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1Cl ZINC001029305312 683941701 /nfs/dbraw/zinc/94/17/01/683941701.db2.gz XLSZMDAUQZFZOS-HLPPOEQASA-N 1 2 349.818 2.180 20 5 EEBDLO Cc1nn(C[N@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794701993 1197824113 /nfs/dbraw/zinc/82/41/13/1197824113.db2.gz IWQKPYJVXDODSK-YVEFUNNKSA-N 1 2 346.387 2.090 20 5 EEBDLO Cc1nn(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794701993 1197824123 /nfs/dbraw/zinc/82/41/23/1197824123.db2.gz IWQKPYJVXDODSK-YVEFUNNKSA-N 1 2 346.387 2.090 20 5 EEBDLO Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000017357839 1201937904 /nfs/dbraw/zinc/93/79/04/1201937904.db2.gz LOLIAXLUHHSSHP-UHFFFAOYSA-N 1 2 340.383 2.135 20 5 EEBDLO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000133124641 1202171362 /nfs/dbraw/zinc/17/13/62/1202171362.db2.gz OTLLQDPPYDFKEN-AWEZNQCLSA-N 1 2 337.424 2.157 20 5 EEBDLO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000133124641 1202171364 /nfs/dbraw/zinc/17/13/64/1202171364.db2.gz OTLLQDPPYDFKEN-AWEZNQCLSA-N 1 2 337.424 2.157 20 5 EEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000931057456 1206603538 /nfs/dbraw/zinc/60/35/38/1206603538.db2.gz NPDYXBHJCRDNMG-CYBMUJFWSA-N 1 2 336.392 2.054 20 5 EEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000931057456 1206603539 /nfs/dbraw/zinc/60/35/39/1206603539.db2.gz NPDYXBHJCRDNMG-CYBMUJFWSA-N 1 2 336.392 2.054 20 5 EEBDLO O=C(Cc1[nH]cc[nH+]1)N1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001057358578 1243431208 /nfs/dbraw/zinc/43/12/08/1243431208.db2.gz FQBWTXHGVOXSLY-UHFFFAOYSA-N 1 2 347.350 2.103 20 5 EEBDLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC001068515033 1251213736 /nfs/dbraw/zinc/21/37/36/1251213736.db2.gz UUVIHQUYACKOSJ-XYPYZODXSA-N 1 2 347.350 2.006 20 5 EEBDLO Cc1noc(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)c1[N+](=O)[O-] ZINC000852205876 1292039366 /nfs/dbraw/zinc/03/93/66/1292039366.db2.gz AFAHSFQRQRLLBM-SNVBAGLBSA-N 1 2 345.359 2.272 20 5 EEBDLO CC[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CCCO1 ZINC000799163672 1305172147 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CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000289762704 275146528 /nfs/dbraw/zinc/14/65/28/275146528.db2.gz KURQBEZJUMXVNX-RHSMWYFYSA-N 1 2 349.431 2.289 20 5 EEBDLO O=C(c1cc(N2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000290684209 275229517 /nfs/dbraw/zinc/22/95/17/275229517.db2.gz LTJJVZDSKMLEIT-UHFFFAOYSA-N 1 2 341.371 2.048 20 5 EEBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1ccc3ncc([N+](=O)[O-])n3n1)C2 ZINC000123720144 275762605 /nfs/dbraw/zinc/76/26/05/275762605.db2.gz NYAIGUAGCATJRR-UHFFFAOYSA-N 1 2 341.375 2.057 20 5 EEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](O)CC1 ZINC000292986338 293095682 /nfs/dbraw/zinc/09/56/82/293095682.db2.gz BSEFNWHMLHBXOV-ZYHUDNBSSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](O)CC1 ZINC000292986338 293095686 /nfs/dbraw/zinc/09/56/86/293095686.db2.gz BSEFNWHMLHBXOV-ZYHUDNBSSA-N 1 2 341.795 2.422 20 5 EEBDLO Cc1[nH+]c(C(C)C)ccc1COC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000293022474 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2.319 20 5 EEBDLO Cc1cccc(C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1 ZINC000437897220 315057830 /nfs/dbraw/zinc/05/78/30/315057830.db2.gz RRFXZVCEMGNFKV-UHFFFAOYSA-N 1 2 340.383 2.319 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000548021993 318346003 /nfs/dbraw/zinc/34/60/03/318346003.db2.gz VASUVJBOWSRXKH-ZDUSSCGKSA-N 1 2 330.392 2.267 20 5 EEBDLO CNc1nccc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000517959747 448634883 /nfs/dbraw/zinc/63/48/83/448634883.db2.gz LGAQFNRDXMZDFP-NSHDSACASA-N 1 2 330.348 2.122 20 5 EEBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267007379 464903541 /nfs/dbraw/zinc/90/35/41/464903541.db2.gz GFRCVCOUIIECRL-LBPRGKRZSA-N 1 2 325.340 2.444 20 5 EEBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267007379 464903548 /nfs/dbraw/zinc/90/35/48/464903548.db2.gz GFRCVCOUIIECRL-LBPRGKRZSA-N 1 2 325.340 2.444 20 5 EEBDLO COc1ccc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] ZINC000113262385 462581975 /nfs/dbraw/zinc/58/19/75/462581975.db2.gz XXSJVQUXUMVLGZ-NSHDSACASA-N 1 2 342.417 2.001 20 5 EEBDLO COc1ccc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] ZINC000113262385 462581981 /nfs/dbraw/zinc/58/19/81/462581981.db2.gz XXSJVQUXUMVLGZ-NSHDSACASA-N 1 2 342.417 2.001 20 5 EEBDLO Cc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000088757823 462643969 /nfs/dbraw/zinc/64/39/69/462643969.db2.gz IJUOUAZFOPNERI-HNNXBMFYSA-N 1 2 346.431 2.036 20 5 EEBDLO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075552256 462730189 /nfs/dbraw/zinc/73/01/89/462730189.db2.gz PXRQLGCTBHJRPJ-JTQLQIEISA-N 1 2 345.315 2.246 20 5 EEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130039121 462737965 /nfs/dbraw/zinc/73/79/65/462737965.db2.gz CZVIXRWYLZPVQF-UHFFFAOYSA-N 1 2 341.367 2.258 20 5 EEBDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743926 462820540 /nfs/dbraw/zinc/82/05/40/462820540.db2.gz KFCVXPMOIDIGPN-ZDUSSCGKSA-N 1 2 334.420 2.020 20 5 EEBDLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000139095948 463316817 /nfs/dbraw/zinc/31/68/17/463316817.db2.gz XZOJPNJEZAOKRU-CHWSQXEVSA-N 1 2 349.387 2.197 20 5 EEBDLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000139095948 463316822 /nfs/dbraw/zinc/31/68/22/463316822.db2.gz XZOJPNJEZAOKRU-CHWSQXEVSA-N 1 2 349.387 2.197 20 5 EEBDLO Cc1c(CC(=O)NCCc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC000161109249 463400931 /nfs/dbraw/zinc/40/09/31/463400931.db2.gz HDWPJGMVZMAYKR-UHFFFAOYSA-N 1 2 342.399 2.337 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104970116 463432075 /nfs/dbraw/zinc/43/20/75/463432075.db2.gz WFFDQIAVWGCWSE-OLZOCXBDSA-N 1 2 336.392 2.134 20 5 EEBDLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccncc1[N+](=O)[O-] ZINC000124589146 463440563 /nfs/dbraw/zinc/44/05/63/463440563.db2.gz LWWGDQWVEUPWAI-UHFFFAOYSA-N 1 2 338.327 2.497 20 5 EEBDLO C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000124676735 463451620 /nfs/dbraw/zinc/45/16/20/463451620.db2.gz YCAACLURELXABD-CZUORRHYSA-N 1 2 328.372 2.444 20 5 EEBDLO C[C@@]1(O)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000125057008 463496345 /nfs/dbraw/zinc/49/63/45/463496345.db2.gz KNESQDCFQYEZET-CQSZACIVSA-N 1 2 327.768 2.034 20 5 EEBDLO C[C@@]1(O)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000125057008 463496349 /nfs/dbraw/zinc/49/63/49/463496349.db2.gz KNESQDCFQYEZET-CQSZACIVSA-N 1 2 327.768 2.034 20 5 EEBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000170772449 463704135 /nfs/dbraw/zinc/70/41/35/463704135.db2.gz HPCTZGXFPFRXTG-JTQLQIEISA-N 1 2 327.768 2.298 20 5 EEBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000170772449 463704137 /nfs/dbraw/zinc/70/41/37/463704137.db2.gz HPCTZGXFPFRXTG-JTQLQIEISA-N 1 2 327.768 2.298 20 5 EEBDLO CC(C)[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)O ZINC000276800075 463761492 /nfs/dbraw/zinc/76/14/92/463761492.db2.gz SCDNKBBBNFNWHV-HNNXBMFYSA-N 1 2 346.387 2.306 20 5 EEBDLO COC(=O)c1coc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000171029113 463764550 /nfs/dbraw/zinc/76/45/50/463764550.db2.gz VYBZWTVCCXTWCR-UHFFFAOYSA-N 1 2 345.355 2.297 20 5 EEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000283956616 464053876 /nfs/dbraw/zinc/05/38/76/464053876.db2.gz DUHIBXJBIGCPHD-PWSUYJOCSA-N 1 2 349.265 2.391 20 5 EEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000283956616 464053880 /nfs/dbraw/zinc/05/38/80/464053880.db2.gz DUHIBXJBIGCPHD-PWSUYJOCSA-N 1 2 349.265 2.391 20 5 EEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000284246955 464123729 /nfs/dbraw/zinc/12/37/29/464123729.db2.gz WBLYNXDWQZAHAO-UHFFFAOYSA-N 1 2 344.318 2.276 20 5 EEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000284246955 464123736 /nfs/dbraw/zinc/12/37/36/464123736.db2.gz WBLYNXDWQZAHAO-UHFFFAOYSA-N 1 2 344.318 2.276 20 5 EEBDLO CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000279699570 464130669 /nfs/dbraw/zinc/13/06/69/464130669.db2.gz ISHKGYXZTUDYBH-UHFFFAOYSA-N 1 2 348.403 2.279 20 5 EEBDLO CN(CC[N@H+]1CCOC(C)(C)C1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000279699570 464130675 /nfs/dbraw/zinc/13/06/75/464130675.db2.gz ISHKGYXZTUDYBH-UHFFFAOYSA-N 1 2 348.403 2.279 20 5 EEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279802979 464151043 /nfs/dbraw/zinc/15/10/43/464151043.db2.gz PHNFAVGHYQERKO-RNCFNFMXSA-N 1 2 341.795 2.278 20 5 EEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000279802979 464151048 /nfs/dbraw/zinc/15/10/48/464151048.db2.gz PHNFAVGHYQERKO-RNCFNFMXSA-N 1 2 341.795 2.278 20 5 EEBDLO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCCOCC2)c(Br)c1 ZINC000188500362 464295976 /nfs/dbraw/zinc/29/59/76/464295976.db2.gz ZIVUEFBWRYCPAR-UHFFFAOYSA-N 1 2 344.209 2.492 20 5 EEBDLO O=[N+]([O-])c1ccc(NCC[N@H+]2CCCOCC2)c(Br)c1 ZINC000188500362 464295981 /nfs/dbraw/zinc/29/59/81/464295981.db2.gz ZIVUEFBWRYCPAR-UHFFFAOYSA-N 1 2 344.209 2.492 20 5 EEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000180618139 464351410 /nfs/dbraw/zinc/35/14/10/464351410.db2.gz CFAAUWPTSVUIAT-UHFFFAOYSA-N 1 2 341.371 2.102 20 5 EEBDLO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000295268722 464769383 /nfs/dbraw/zinc/76/93/83/464769383.db2.gz GRQRYLPACNGYOU-GUYCJALGSA-N 1 2 347.415 2.273 20 5 EEBDLO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000295268722 464769389 /nfs/dbraw/zinc/76/93/89/464769389.db2.gz GRQRYLPACNGYOU-GUYCJALGSA-N 1 2 347.415 2.273 20 5 EEBDLO Cc1cc(C)c(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1[N+](=O)[O-] ZINC000192010505 464848848 /nfs/dbraw/zinc/84/88/48/464848848.db2.gz AWMNAEWZFWFGNF-UHFFFAOYSA-N 1 2 333.369 2.358 20 5 EEBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000276290703 464878684 /nfs/dbraw/zinc/87/86/84/464878684.db2.gz HPYKWVPZTYUJAD-UHFFFAOYSA-N 1 2 330.363 2.447 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249606907 464899026 /nfs/dbraw/zinc/89/90/26/464899026.db2.gz ZZGMBKUQDLYBOU-ISTVAULSSA-N 1 2 341.795 2.278 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249606907 464899030 /nfs/dbraw/zinc/89/90/30/464899030.db2.gz ZZGMBKUQDLYBOU-ISTVAULSSA-N 1 2 341.795 2.278 20 5 EEBDLO C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCSCC1 ZINC000183741629 464904448 /nfs/dbraw/zinc/90/44/48/464904448.db2.gz JWZLRHRETBOZNX-JTQLQIEISA-N 1 2 343.836 2.302 20 5 EEBDLO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339691272 465447777 /nfs/dbraw/zinc/44/77/77/465447777.db2.gz MTKBDKSVVPGAFY-AWEZNQCLSA-N 1 2 335.404 2.053 20 5 EEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353026511 465586104 /nfs/dbraw/zinc/58/61/04/465586104.db2.gz VSRMGFUJFYYVPP-WDEREUQCSA-N 1 2 343.330 2.483 20 5 EEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353026511 465586111 /nfs/dbraw/zinc/58/61/11/465586111.db2.gz VSRMGFUJFYYVPP-WDEREUQCSA-N 1 2 343.330 2.483 20 5 EEBDLO COc1cc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000338054310 465784244 /nfs/dbraw/zinc/78/42/44/465784244.db2.gz BFGVHFBLDITDHA-UHFFFAOYSA-N 1 2 340.339 2.490 20 5 EEBDLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000367086396 466122417 /nfs/dbraw/zinc/12/24/17/466122417.db2.gz UGTRIKACXOCGJN-OAHLLOKOSA-N 1 2 326.356 2.085 20 5 EEBDLO COc1cc(N2CC[C@H]([NH+]3CCOCC3)[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000357589165 466158970 /nfs/dbraw/zinc/15/89/70/466158970.db2.gz BXPYPVNPCZIMSG-YPMHNXCESA-N 1 2 339.367 2.042 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000591528714 468480122 /nfs/dbraw/zinc/48/01/22/468480122.db2.gz RJIOGKVTWZHETB-HNNXBMFYSA-N 1 2 347.415 2.148 20 5 EEBDLO CC(C)c1ccc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000353961217 466284809 /nfs/dbraw/zinc/28/48/09/466284809.db2.gz VKPMUQZVWKEBDU-UHFFFAOYSA-N 1 2 348.447 2.100 20 5 EEBDLO CC(C)c1ccc(C[NH+]2CCN(C(C)(C)C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000353961217 466284816 /nfs/dbraw/zinc/28/48/16/466284816.db2.gz VKPMUQZVWKEBDU-UHFFFAOYSA-N 1 2 348.447 2.100 20 5 EEBDLO CC(C)(O)[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000305211684 466379386 /nfs/dbraw/zinc/37/93/86/466379386.db2.gz HFIMKMSBOQDUCS-HNNXBMFYSA-N 1 2 344.371 2.156 20 5 EEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000372993918 466657952 /nfs/dbraw/zinc/65/79/52/466657952.db2.gz YDLKFLDRAAGWAV-UHFFFAOYSA-N 1 2 344.371 2.165 20 5 EEBDLO CC[NH+]1C[C@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000410855365 466751353 /nfs/dbraw/zinc/75/13/53/466751353.db2.gz VYXDUOFIOPAEOQ-QWRGUYRKSA-N 1 2 331.376 2.026 20 5 EEBDLO Cc1cnc(N(CC[NH+]2CCOCC2)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000450946831 467213077 /nfs/dbraw/zinc/21/30/77/467213077.db2.gz ZTCFFRGSYGONFT-UHFFFAOYSA-N 1 2 346.387 2.230 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428372114 467226279 /nfs/dbraw/zinc/22/62/79/467226279.db2.gz ZPNJOOPOMPVLLR-ZDUSSCGKSA-N 1 2 328.372 2.461 20 5 EEBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCO1 ZINC000451432080 467256038 /nfs/dbraw/zinc/25/60/38/467256038.db2.gz BULZRJSVNXPOMW-CQSZACIVSA-N 1 2 344.371 2.422 20 5 EEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000378403525 467292323 /nfs/dbraw/zinc/29/23/23/467292323.db2.gz OAQJRTYTRCWBIB-ZDUSSCGKSA-N 1 2 326.356 2.251 20 5 EEBDLO CCCC[C@@H](C(=O)OC)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000434521107 467405540 /nfs/dbraw/zinc/40/55/40/467405540.db2.gz FRACHOKYXUOZSU-INIZCTEOSA-N 1 2 335.404 2.449 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)NCc1cccs1 ZINC000430237049 467410870 /nfs/dbraw/zinc/41/08/70/467410870.db2.gz IKPDWZFVPQUAEF-UHFFFAOYSA-N 1 2 349.412 2.413 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000430237049 467410871 /nfs/dbraw/zinc/41/08/71/467410871.db2.gz IKPDWZFVPQUAEF-UHFFFAOYSA-N 1 2 349.412 2.413 20 5 EEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000408041922 467499527 /nfs/dbraw/zinc/49/95/27/467499527.db2.gz OZWROKNYAXUCFA-NWDGAFQWSA-N 1 2 341.433 2.006 20 5 EEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000408041922 467499532 /nfs/dbraw/zinc/49/95/32/467499532.db2.gz OZWROKNYAXUCFA-NWDGAFQWSA-N 1 2 341.433 2.006 20 5 EEBDLO COc1cc[nH+]cc1CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000431414530 467514523 /nfs/dbraw/zinc/51/45/23/467514523.db2.gz NPUSEZWAJQQVHP-UHFFFAOYSA-N 1 2 337.357 2.014 20 5 EEBDLO CNc1nc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000455235299 467652636 /nfs/dbraw/zinc/65/26/36/467652636.db2.gz RVCVYQOMXIXROF-LLVKDONJSA-N 1 2 330.348 2.122 20 5 EEBDLO O=C(N[C@@H]1CCCSC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450046370 467767159 /nfs/dbraw/zinc/76/71/59/467767159.db2.gz RNXDOBTZOCBRRO-GFCCVEGCSA-N 1 2 332.385 2.406 20 5 EEBDLO CC(C)(C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450282083 467816387 /nfs/dbraw/zinc/81/63/87/467816387.db2.gz FSQOZVSYDYCQQZ-CYBMUJFWSA-N 1 2 346.387 2.307 20 5 EEBDLO CCC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])COC1 ZINC000450844594 467918850 /nfs/dbraw/zinc/91/88/50/467918850.db2.gz LKQCQAYIVUCXBS-UHFFFAOYSA-N 1 2 335.404 2.266 20 5 EEBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)c([N+](=O)[O-])c1 ZINC000459794525 467965403 /nfs/dbraw/zinc/96/54/03/467965403.db2.gz PPYHEWMCCDBBTB-QWRGUYRKSA-N 1 2 347.375 2.015 20 5 EEBDLO CCc1nnc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000589326475 468144540 /nfs/dbraw/zinc/14/45/40/468144540.db2.gz CCSILNGYUURPEP-UHFFFAOYSA-N 1 2 336.373 2.070 20 5 EEBDLO Cc1noc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1[N+](=O)[O-] ZINC000595329644 468815108 /nfs/dbraw/zinc/81/51/08/468815108.db2.gz HSPGCBUOUQGQRR-ZDUSSCGKSA-N 1 2 331.376 2.165 20 5 EEBDLO Cn1ccnc1[C@H]([NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602732449 469039535 /nfs/dbraw/zinc/03/95/35/469039535.db2.gz PAZBIVDEVNBKJZ-NVXWUHKLSA-N 1 2 330.388 2.277 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000602763755 469059145 /nfs/dbraw/zinc/05/91/45/469059145.db2.gz SLMWSQIQSFWCQO-OAHLLOKOSA-N 1 2 334.351 2.312 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000602763755 469059154 /nfs/dbraw/zinc/05/91/54/469059154.db2.gz SLMWSQIQSFWCQO-OAHLLOKOSA-N 1 2 334.351 2.312 20 5 EEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598948018 469062485 /nfs/dbraw/zinc/06/24/85/469062485.db2.gz OGNXCBQMIVIOFM-LSDHHAIUSA-N 1 2 342.399 2.491 20 5 EEBDLO O=C(N[C@@H]1CCn2c[nH+]cc2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598951184 469063977 /nfs/dbraw/zinc/06/39/77/469063977.db2.gz YHNKAZCHGWAXLH-SNVBAGLBSA-N 1 2 325.328 2.017 20 5 EEBDLO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1=CCSC1 ZINC000595888788 469064890 /nfs/dbraw/zinc/06/48/90/469064890.db2.gz OSFGXBSHVUQEKW-UHFFFAOYSA-N 1 2 333.413 2.089 20 5 EEBDLO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1=CCSC1 ZINC000595888788 469064892 /nfs/dbraw/zinc/06/48/92/469064892.db2.gz OSFGXBSHVUQEKW-UHFFFAOYSA-N 1 2 333.413 2.089 20 5 EEBDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000611139984 469172943 /nfs/dbraw/zinc/17/29/43/469172943.db2.gz BGLCEVQMKMMWSF-LBPRGKRZSA-N 1 2 344.371 2.457 20 5 EEBDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000611139984 469172945 /nfs/dbraw/zinc/17/29/45/469172945.db2.gz BGLCEVQMKMMWSF-LBPRGKRZSA-N 1 2 344.371 2.457 20 5 EEBDLO COc1cccc2c1C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000599645516 469321917 /nfs/dbraw/zinc/32/19/17/469321917.db2.gz PAQNOTITEWMNJD-AWEZNQCLSA-N 1 2 344.367 2.359 20 5 EEBDLO COc1cccc2c1C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000599645516 469321920 /nfs/dbraw/zinc/32/19/20/469321920.db2.gz PAQNOTITEWMNJD-AWEZNQCLSA-N 1 2 344.367 2.359 20 5 EEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131594 469893352 /nfs/dbraw/zinc/89/33/52/469893352.db2.gz SZFUHVIJOJZUEK-ZDUSSCGKSA-N 1 2 329.360 2.067 20 5 EEBDLO Cc1[nH+]c[nH]c1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000531011080 485537155 /nfs/dbraw/zinc/53/71/55/485537155.db2.gz VILJJAJCBACQCA-UHFFFAOYSA-N 1 2 343.387 2.159 20 5 EEBDLO CCOCC[NH+]1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000179559555 528745698 /nfs/dbraw/zinc/74/56/98/528745698.db2.gz FHVWUEAHFIJCKO-UHFFFAOYSA-N 1 2 349.431 2.314 20 5 EEBDLO Cc1c(C(=O)N(C)Cc2[nH]cc[nH+]2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000732094546 577147941 /nfs/dbraw/zinc/14/79/41/577147941.db2.gz QPMIZMDNOWCHDG-UHFFFAOYSA-N 1 2 333.304 2.115 20 5 EEBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)NCc1ccco1 ZINC000768194202 577551882 /nfs/dbraw/zinc/55/18/82/577551882.db2.gz RWDXVVVMCVXTJL-DAXSKMNVSA-N 1 2 329.356 2.449 20 5 EEBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)NCc1ccco1 ZINC000768194202 577551883 /nfs/dbraw/zinc/55/18/83/577551883.db2.gz RWDXVVVMCVXTJL-DAXSKMNVSA-N 1 2 329.356 2.449 20 5 EEBDLO Cn1c(-c2nc(-c3ccnc(-n4cc[nH+]c4)c3)no2)ccc1[N+](=O)[O-] ZINC000762054447 577694156 /nfs/dbraw/zinc/69/41/56/577694156.db2.gz KNKMLBVFGORLTO-UHFFFAOYSA-N 1 2 337.299 2.231 20 5 EEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000745082984 577908212 /nfs/dbraw/zinc/90/82/12/577908212.db2.gz SSUACKDTWNKEQS-ZDUSSCGKSA-N 1 2 346.343 2.172 20 5 EEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000745082984 577908213 /nfs/dbraw/zinc/90/82/13/577908213.db2.gz SSUACKDTWNKEQS-ZDUSSCGKSA-N 1 2 346.343 2.172 20 5 EEBDLO Cn1cc(C(=O)OCc2c[nH+]cn2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747782169 577949938 /nfs/dbraw/zinc/94/99/38/577949938.db2.gz DWGFPOIQSKBFRJ-UHFFFAOYSA-N 1 2 341.327 2.086 20 5 EEBDLO O=C(C(F)F)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029179108 683355850 /nfs/dbraw/zinc/35/58/50/683355850.db2.gz MSKYUUOAEHSFSV-BETUJISGSA-N 1 2 325.315 2.035 20 5 EEBDLO O=C(C(F)F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029179108 683355855 /nfs/dbraw/zinc/35/58/55/683355855.db2.gz MSKYUUOAEHSFSV-BETUJISGSA-N 1 2 325.315 2.035 20 5 EEBDLO Cn1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(-n4cc[nH+]c4)c3)n2)n1 ZINC000904879195 694484687 /nfs/dbraw/zinc/48/46/87/694484687.db2.gz OOEMVISGCDLCIE-UHFFFAOYSA-N 1 2 337.299 2.231 20 5 EEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874892626 1199061422 /nfs/dbraw/zinc/06/14/22/1199061422.db2.gz JEWZUKYLNGRVSF-QGZVFWFLSA-N 1 2 343.358 2.450 20 5 EEBDLO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000811726384 1200267021 /nfs/dbraw/zinc/26/70/21/1200267021.db2.gz RPECYZNOECCTSU-SECBINFHSA-N 1 2 335.320 2.001 20 5 EEBDLO Cc1nn(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000811775812 1200288869 /nfs/dbraw/zinc/28/88/69/1200288869.db2.gz GHNGSBZFXYCATE-CABCVRRESA-N 1 2 345.403 2.495 20 5 EEBDLO Cc1nn(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000811775812 1200288874 /nfs/dbraw/zinc/28/88/74/1200288874.db2.gz GHNGSBZFXYCATE-CABCVRRESA-N 1 2 345.403 2.495 20 5 EEBDLO CC[C@@]1(O)CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000879311083 1200990631 /nfs/dbraw/zinc/99/06/31/1200990631.db2.gz RASCIPSCULBVQK-OAHLLOKOSA-N 1 2 341.795 2.424 20 5 EEBDLO CC[C@@]1(O)CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000879311083 1200990638 /nfs/dbraw/zinc/99/06/38/1200990638.db2.gz RASCIPSCULBVQK-OAHLLOKOSA-N 1 2 341.795 2.424 20 5 EEBDLO Cn1ncc([N+](=O)[O-])c1-c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001212786564 1201691984 /nfs/dbraw/zinc/69/19/84/1201691984.db2.gz CEGIPCICPVGLPH-UHFFFAOYSA-N 1 2 337.299 2.231 20 5 EEBDLO CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000932972844 1207708835 /nfs/dbraw/zinc/70/88/35/1207708835.db2.gz SIPVMLBMRIBZAI-AAEUAGOBSA-N 1 2 337.376 2.041 20 5 EEBDLO CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000932972844 1207708838 /nfs/dbraw/zinc/70/88/38/1207708838.db2.gz SIPVMLBMRIBZAI-AAEUAGOBSA-N 1 2 337.376 2.041 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c(F)c1 ZINC000795890707 1215149690 /nfs/dbraw/zinc/14/96/90/1215149690.db2.gz QDRHZOVJFHYGQI-JTQLQIEISA-N 1 2 328.315 2.458 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](C3OCCO3)C2)c(F)c1 ZINC000795890707 1215149692 /nfs/dbraw/zinc/14/96/92/1215149692.db2.gz QDRHZOVJFHYGQI-JTQLQIEISA-N 1 2 328.315 2.458 20 5 EEBDLO O=C(NCC1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1)c1ccon1 ZINC001000461514 1240358110 /nfs/dbraw/zinc/35/81/10/1240358110.db2.gz CHSRPYNZYWRJIS-UHFFFAOYSA-N 1 2 348.384 2.206 20 5 EEBDLO O=C(NCC1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1)c1ccon1 ZINC001000461514 1240358119 /nfs/dbraw/zinc/35/81/19/1240358119.db2.gz CHSRPYNZYWRJIS-UHFFFAOYSA-N 1 2 348.384 2.206 20 5 EEBDLO CCOC(=O)C[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000851519357 1277640771 /nfs/dbraw/zinc/64/07/71/1277640771.db2.gz ATVHWERDLOIOHQ-LLVKDONJSA-N 1 2 347.327 2.279 20 5 EEBDLO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000852048658 1291971833 /nfs/dbraw/zinc/97/18/33/1291971833.db2.gz GLAYLLDSVFUAQU-GFCCVEGCSA-N 1 2 340.380 2.382 20 5 EEBDLO CCCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000852048658 1291971840 /nfs/dbraw/zinc/97/18/40/1291971840.db2.gz GLAYLLDSVFUAQU-GFCCVEGCSA-N 1 2 340.380 2.382 20 5 EEBDLO Cc1noc(C[N@@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c1[N+](=O)[O-] ZINC000852055939 1291975391 /nfs/dbraw/zinc/97/53/91/1291975391.db2.gz YLFODYFTQUEBQN-GFCCVEGCSA-N 1 2 338.364 2.134 20 5 EEBDLO Cc1noc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)c1[N+](=O)[O-] ZINC000852055939 1291975394 /nfs/dbraw/zinc/97/53/94/1291975394.db2.gz YLFODYFTQUEBQN-GFCCVEGCSA-N 1 2 338.364 2.134 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1c2cc[nH+]cc2C[C@H]1C ZINC000857901676 1293947914 /nfs/dbraw/zinc/94/79/14/1293947914.db2.gz MWKAKUYANVVQJY-LLVKDONJSA-N 1 2 333.369 2.438 20 5 EEBDLO CC1(C)C[N@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000859045628 1294302363 /nfs/dbraw/zinc/30/23/63/1294302363.db2.gz ATCCCXLRCYRWGR-UHFFFAOYSA-N 1 2 341.795 2.089 20 5 EEBDLO CC1(C)C[N@@H+](CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000859045628 1294302369 /nfs/dbraw/zinc/30/23/69/1294302369.db2.gz ATCCCXLRCYRWGR-UHFFFAOYSA-N 1 2 341.795 2.089 20 5 EEBDLO CCCSc1nc(O[C@H]2C[NH2+]CCC23CC3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218407215 1297655710 /nfs/dbraw/zinc/65/57/10/1297655710.db2.gz VBZRQLUBRDHAEA-VIFPVBQESA-N 1 2 340.405 2.113 20 5 EEBDLO Cc1cc(NCCN(C)C(=O)CCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC001102054792 1300210842 /nfs/dbraw/zinc/21/08/42/1300210842.db2.gz ZOSIDZZVZKJIGG-UHFFFAOYSA-N 1 2 345.403 2.140 20 5 EEBDLO Cc1nc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229382134 1302756065 /nfs/dbraw/zinc/75/60/65/1302756065.db2.gz PYMBHQNBJCKQGG-LBPRGKRZSA-N 1 2 341.327 2.096 20 5 EEBDLO C[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2I)C1 ZINC001229831028 1302960019 /nfs/dbraw/zinc/96/00/19/1302960019.db2.gz JTJOQOREIYGOTK-VIFPVBQESA-N 1 2 348.140 2.282 20 5 EEBDLO C[N@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2I)C1 ZINC001229831028 1302960024 /nfs/dbraw/zinc/96/00/24/1302960024.db2.gz JTJOQOREIYGOTK-VIFPVBQESA-N 1 2 348.140 2.282 20 5 EEBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000782299317 1304027018 /nfs/dbraw/zinc/02/70/18/1304027018.db2.gz IODBDGOWLWTGIY-GFCCVEGCSA-N 1 2 345.355 2.021 20 5 EEBDLO COc1ccc(C[C@H](C)[N@@H+]2CCN[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001246992330 1310496200 /nfs/dbraw/zinc/49/62/00/1310496200.db2.gz QELJHRHNDSBPEW-HZMBPMFUSA-N 1 2 347.337 2.371 20 5 EEBDLO COc1ccc(C[C@H](C)[N@H+]2CCN[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001246992330 1310496205 /nfs/dbraw/zinc/49/62/05/1310496205.db2.gz QELJHRHNDSBPEW-HZMBPMFUSA-N 1 2 347.337 2.371 20 5 EEBDLO COc1cnc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)c([N+](=O)[O-])c1 ZINC001158623247 1319338655 /nfs/dbraw/zinc/33/86/55/1319338655.db2.gz RJLFVDJQCHVAHP-ZDUSSCGKSA-N 1 2 342.346 2.308 20 5 EEBDLO C[C@@H]1C[N@H+](C2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C2)C[C@H](C)O1 ZINC001158717354 1319397435 /nfs/dbraw/zinc/39/74/35/1319397435.db2.gz NSYKAUPLXFAQCS-BETUJISGSA-N 1 2 342.399 2.441 20 5 EEBDLO C[C@@H]1C[N@@H+](C2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C2)C[C@H](C)O1 ZINC001158717354 1319397439 /nfs/dbraw/zinc/39/74/39/1319397439.db2.gz NSYKAUPLXFAQCS-BETUJISGSA-N 1 2 342.399 2.441 20 5 EEBDLO O=[N+]([O-])c1cnc(Cl)cc1N[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160724879 1320249652 /nfs/dbraw/zinc/24/96/52/1320249652.db2.gz RPAXJRXXQHBFQR-CMPLNLGQSA-N 1 2 326.784 2.308 20 5 EEBDLO Cc1nc(NCc2cc[nH+]c(N3CCSCC3)c2)ncc1[N+](=O)[O-] ZINC001331960303 1335688803 /nfs/dbraw/zinc/68/88/03/1335688803.db2.gz IUVMCFURUNEOCP-UHFFFAOYSA-N 1 2 346.416 2.254 20 5 EEBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](Cc2ccc(C)cc2C)C1 ZINC000950055573 775837782 /nfs/dbraw/zinc/83/77/82/775837782.db2.gz DDHSDYMDTHRPKK-IAGOWNOFSA-N 1 2 331.416 2.001 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001091477578 790955411 /nfs/dbraw/zinc/95/54/11/790955411.db2.gz WSPRKVGZSSMNCZ-JOCQHMNTSA-N 1 2 343.387 2.176 20 5 EEBDLO O=C(OCC[C@@H]1CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000816443585 784029309 /nfs/dbraw/zinc/02/93/09/784029309.db2.gz RCQGCIZEODHDDZ-LBPRGKRZSA-N 1 2 331.328 2.364 20 5 EEBDLO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000912810239 788378000 /nfs/dbraw/zinc/37/80/00/788378000.db2.gz QLCIIYSTDZRCHE-SWLSCSKDSA-N 1 2 335.404 2.493 20 5 EEBDLO CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825278300 788547734 /nfs/dbraw/zinc/54/77/34/788547734.db2.gz BHHLWFPETJLRCZ-GFCCVEGCSA-N 1 2 340.811 2.484 20 5 EEBDLO CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000825278300 788547739 /nfs/dbraw/zinc/54/77/39/788547739.db2.gz BHHLWFPETJLRCZ-GFCCVEGCSA-N 1 2 340.811 2.484 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845276328 789703654 /nfs/dbraw/zinc/70/36/54/789703654.db2.gz ACVGLVCAFNVMOD-LBPRGKRZSA-N 1 2 346.343 2.233 20 5 EEBDLO Cc1cnc(NCCNC(=O)c2c(C)cc(C)[nH+]c2C)c([N+](=O)[O-])c1 ZINC001094292639 796094259 /nfs/dbraw/zinc/09/42/59/796094259.db2.gz XRLHAVCAIITMRK-UHFFFAOYSA-N 1 2 343.387 2.460 20 5 EEBDLO Cc1nnc2n1CC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172916520 797148826 /nfs/dbraw/zinc/14/88/26/797148826.db2.gz TVSPVKKMXPILJU-HNNXBMFYSA-N 1 2 327.388 2.258 20 5 EEBDLO Cc1nnc2n1CC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172916520 797148831 /nfs/dbraw/zinc/14/88/31/797148831.db2.gz TVSPVKKMXPILJU-HNNXBMFYSA-N 1 2 327.388 2.258 20 5 EEBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154457858 798290164 /nfs/dbraw/zinc/29/01/64/798290164.db2.gz NWJLDXFYIRMBID-GJZGRUSLSA-N 1 2 336.388 2.434 20 5 EEBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154457858 798290168 /nfs/dbraw/zinc/29/01/68/798290168.db2.gz NWJLDXFYIRMBID-GJZGRUSLSA-N 1 2 336.388 2.434 20 5 EEBDLO O=C1C[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1c1cccc(Cl)c1 ZINC001169039258 803581938 /nfs/dbraw/zinc/58/19/38/803581938.db2.gz ORARLONJWJANMU-OCCSQVGLSA-N 1 2 337.807 2.434 20 5 EEBDLO O=C1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1c1cccc(Cl)c1 ZINC001169039258 803581940 /nfs/dbraw/zinc/58/19/40/803581940.db2.gz ORARLONJWJANMU-OCCSQVGLSA-N 1 2 337.807 2.434 20 5 EEBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1ccco1 ZINC000130508180 223158472 /nfs/dbraw/zinc/15/84/72/223158472.db2.gz SRZMRTQYLWBOGZ-UHFFFAOYSA-N 1 2 329.356 2.469 20 5 EEBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)NCc1ccco1 ZINC000130508180 223158473 /nfs/dbraw/zinc/15/84/73/223158473.db2.gz SRZMRTQYLWBOGZ-UHFFFAOYSA-N 1 2 329.356 2.469 20 5 EEBDLO C[C@H](Cn1cc[nH+]c1)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000235501595 242283392 /nfs/dbraw/zinc/28/33/92/242283392.db2.gz LBKXDCMFFSFBQA-MRVPVSSYSA-N 1 2 326.154 2.449 20 5 EEBDLO COC1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCC1 ZINC000447799073 242317373 /nfs/dbraw/zinc/31/73/73/242317373.db2.gz FCAKAYSHEQEGDI-UHFFFAOYSA-N 1 2 335.404 2.408 20 5 EEBDLO O=C(N[C@@H](CO)CC1CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451358792 243089869 /nfs/dbraw/zinc/08/98/69/243089869.db2.gz VAKYGUHPTXWQNQ-CQSZACIVSA-N 1 2 344.371 2.061 20 5 EEBDLO Cc1nc(NCc2cc[nH+]c(N3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000268435750 251913026 /nfs/dbraw/zinc/91/30/26/251913026.db2.gz BXAQCXTWXGEYPS-UHFFFAOYSA-N 1 2 329.360 2.142 20 5 EEBDLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270423448 256133929 /nfs/dbraw/zinc/13/39/29/256133929.db2.gz GNOXJEBOMNBYHK-PWSUYJOCSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@@H]1CCC[C@@H](CO)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270423448 256133931 /nfs/dbraw/zinc/13/39/31/256133931.db2.gz GNOXJEBOMNBYHK-PWSUYJOCSA-N 1 2 341.795 2.422 20 5 EEBDLO O=C(C[N@@H+]1CCOCC12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000270589434 256151333 /nfs/dbraw/zinc/15/13/33/256151333.db2.gz DUQZNVINRYDFJQ-UHFFFAOYSA-N 1 2 345.399 2.129 20 5 EEBDLO O=C(C[N@H+]1CCOCC12CCCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000270589434 256151335 /nfs/dbraw/zinc/15/13/35/256151335.db2.gz DUQZNVINRYDFJQ-UHFFFAOYSA-N 1 2 345.399 2.129 20 5 EEBDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000273563927 256307561 /nfs/dbraw/zinc/30/75/61/256307561.db2.gz DSPLQZWLMXOPLA-SECBINFHSA-N 1 2 335.389 2.068 20 5 EEBDLO Cc1cccc(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1[N+](=O)[O-] ZINC000276299036 256419955 /nfs/dbraw/zinc/41/99/55/256419955.db2.gz NYHLJNMGODWEKX-DOMZBBRYSA-N 1 2 344.371 2.287 20 5 EEBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2c(N)cccc2[N+](=O)[O-])c1C ZINC000180993719 533407738 /nfs/dbraw/zinc/40/77/38/533407738.db2.gz RGIDVWRCKDFGFM-UHFFFAOYSA-N 1 2 344.371 2.470 20 5 EEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1C ZINC000175317821 291992307 /nfs/dbraw/zinc/99/23/07/291992307.db2.gz PIVJOGZEROKBCZ-UHFFFAOYSA-N 1 2 333.369 2.358 20 5 EEBDLO Cc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000121566393 292265617 /nfs/dbraw/zinc/26/56/17/292265617.db2.gz NFPLYYFOLKKDAV-UHFFFAOYSA-N 1 2 338.327 2.440 20 5 EEBDLO CN(Cc1ccon1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000352268782 153031738 /nfs/dbraw/zinc/03/17/38/153031738.db2.gz ZVEWUQIPNKTHOR-UHFFFAOYSA-N 1 2 327.300 2.041 20 5 EEBDLO O=C(C[N@H+]1CC[C@](O)(C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000365843228 153670036 /nfs/dbraw/zinc/67/00/36/153670036.db2.gz DKDOZYHYVRQZLS-OAHLLOKOSA-N 1 2 339.779 2.034 20 5 EEBDLO O=C(C[N@@H+]1CC[C@](O)(C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000365843228 153670038 /nfs/dbraw/zinc/67/00/38/153670038.db2.gz DKDOZYHYVRQZLS-OAHLLOKOSA-N 1 2 339.779 2.034 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000371041962 153889475 /nfs/dbraw/zinc/88/94/75/153889475.db2.gz HKIAKZZQNFHZOH-PSKZRQQASA-N 1 2 326.356 2.358 20 5 EEBDLO COCC(=O)N1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000128699231 292346438 /nfs/dbraw/zinc/34/64/38/292346438.db2.gz HMTIARYEPVNFRJ-UHFFFAOYSA-N 1 2 335.404 2.009 20 5 EEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342345195 161057609 /nfs/dbraw/zinc/05/76/09/161057609.db2.gz PBQCKOLMNHTCAN-UHFFFAOYSA-N 1 2 338.751 2.399 20 5 EEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000346372607 161366948 /nfs/dbraw/zinc/36/69/48/161366948.db2.gz AICOSCASRIHVEY-UHFFFAOYSA-N 1 2 343.387 2.193 20 5 EEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1ccccc1)CCO2 ZINC000352682136 162243577 /nfs/dbraw/zinc/24/35/77/162243577.db2.gz ZSPWCWKJNVOVGE-MRXNPFEDSA-N 1 2 344.367 2.229 20 5 EEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccccc1)CCO2 ZINC000352682136 162243579 /nfs/dbraw/zinc/24/35/79/162243579.db2.gz ZSPWCWKJNVOVGE-MRXNPFEDSA-N 1 2 344.367 2.229 20 5 EEBDLO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000355171496 163101627 /nfs/dbraw/zinc/10/16/27/163101627.db2.gz ZRLKTDMZHWLHKH-BLLLJJGKSA-N 1 2 332.356 2.436 20 5 EEBDLO C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000355171496 163101630 /nfs/dbraw/zinc/10/16/30/163101630.db2.gz ZRLKTDMZHWLHKH-BLLLJJGKSA-N 1 2 332.356 2.436 20 5 EEBDLO O=C(Nc1ccc(=O)[nH]c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000359633659 164142034 /nfs/dbraw/zinc/14/20/34/164142034.db2.gz KFJROOYEPQRAKC-UHFFFAOYSA-N 1 2 325.284 2.133 20 5 EEBDLO CCN1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C[C@H]1c1[nH]cc[nH+]1 ZINC000359991267 164211130 /nfs/dbraw/zinc/21/11/30/164211130.db2.gz GKQIUFQBBDPMPC-AWEZNQCLSA-N 1 2 349.366 2.349 20 5 EEBDLO COC1(C)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000360109237 164234543 /nfs/dbraw/zinc/23/45/43/164234543.db2.gz 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CC(C)c1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000372615021 278024354 /nfs/dbraw/zinc/02/43/54/278024354.db2.gz ZKSSNTAKASRFMH-HNNXBMFYSA-N 1 2 347.415 2.265 20 5 EEBDLO CCN1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000359996934 279376110 /nfs/dbraw/zinc/37/61/10/279376110.db2.gz YVFYBKQLMAJWMV-CYBMUJFWSA-N 1 2 330.392 2.213 20 5 EEBDLO CN(C)c1ccc(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000490919167 289408531 /nfs/dbraw/zinc/40/85/31/289408531.db2.gz JHVIPDYOJQXEJT-POHAHGRESA-N 1 2 326.356 2.385 20 5 EEBDLO O=C1NCCN1C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413072145 312782978 /nfs/dbraw/zinc/78/29/78/312782978.db2.gz OBLMVLPXYSKBSN-UHFFFAOYSA-N 1 2 341.371 2.137 20 5 EEBDLO CN1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000425424609 314391429 /nfs/dbraw/zinc/39/14/29/314391429.db2.gz XJVISBCRYVAYSH-LLVKDONJSA-N 1 2 342.193 2.020 20 5 EEBDLO CN1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C1=O ZINC000425424609 314391434 /nfs/dbraw/zinc/39/14/34/314391434.db2.gz XJVISBCRYVAYSH-LLVKDONJSA-N 1 2 342.193 2.020 20 5 EEBDLO CS[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000452551763 315563202 /nfs/dbraw/zinc/56/32/02/315563202.db2.gz KNQZYDNIDIDBLX-GFCCVEGCSA-N 1 2 332.385 2.358 20 5 EEBDLO O=C(C[NH+]1CCC(CCO)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000533280209 317906873 /nfs/dbraw/zinc/90/68/73/317906873.db2.gz YJYUNNIMWOYDGX-UHFFFAOYSA-N 1 2 341.795 2.281 20 5 EEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000545908613 318231956 /nfs/dbraw/zinc/23/19/56/318231956.db2.gz XBQFIERUDGLVBQ-HOCLYGCPSA-N 1 2 349.431 2.000 20 5 EEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000545908613 318231957 /nfs/dbraw/zinc/23/19/57/318231957.db2.gz XBQFIERUDGLVBQ-HOCLYGCPSA-N 1 2 349.431 2.000 20 5 EEBDLO CC(C)Oc1nc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000516937905 448503807 /nfs/dbraw/zinc/50/38/07/448503807.db2.gz PLAZURHTQCAOCO-OLZOCXBDSA-N 1 2 338.408 2.298 20 5 EEBDLO CC[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC000339270689 465179259 /nfs/dbraw/zinc/17/92/59/465179259.db2.gz PMBQZDIZEKTGSR-CABCVRRESA-N 1 2 335.404 2.100 20 5 EEBDLO CC[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC000339270689 465179265 /nfs/dbraw/zinc/17/92/65/465179265.db2.gz PMBQZDIZEKTGSR-CABCVRRESA-N 1 2 335.404 2.100 20 5 EEBDLO O=C(Nc1cccc2[nH+]ccn21)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000358762800 465308329 /nfs/dbraw/zinc/30/83/29/465308329.db2.gz HVSXQEFAXIICBE-UHFFFAOYSA-N 1 2 349.310 2.076 20 5 EEBDLO CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000590623461 468289099 /nfs/dbraw/zinc/28/90/99/468289099.db2.gz YFMGUQQXITXGEB-UHFFFAOYSA-N 1 2 344.371 2.422 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000046033891 462638775 /nfs/dbraw/zinc/63/87/75/462638775.db2.gz RBGRJBQEMZKXJT-UHFFFAOYSA-N 1 2 346.368 2.029 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)c1 ZINC000088757798 462644033 /nfs/dbraw/zinc/64/40/33/462644033.db2.gz SBVZWEKQSKAFFF-OAHLLOKOSA-N 1 2 346.431 2.036 20 5 EEBDLO O=C(NCc1[nH]cc[nH+]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000089768251 462717406 /nfs/dbraw/zinc/71/74/06/462717406.db2.gz GGFKQSQHMKNPKW-UHFFFAOYSA-N 1 2 325.122 2.010 20 5 EEBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000093483795 463038075 /nfs/dbraw/zinc/03/80/75/463038075.db2.gz UMFUWPMUGNOWSK-IYBDPMFKSA-N 1 2 348.330 2.064 20 5 EEBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000093483795 463038078 /nfs/dbraw/zinc/03/80/78/463038078.db2.gz UMFUWPMUGNOWSK-IYBDPMFKSA-N 1 2 348.330 2.064 20 5 EEBDLO Cc1ccn2cc(CNC(=O)CNc3ccccc3[N+](=O)[O-])[nH+]c2c1 ZINC000068218252 463106092 /nfs/dbraw/zinc/10/60/92/463106092.db2.gz IOLLAADPVPDWDK-UHFFFAOYSA-N 1 2 339.355 2.279 20 5 EEBDLO COC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000025557210 463129501 /nfs/dbraw/zinc/12/95/01/463129501.db2.gz NWBAXYZZSFNNIF-GFCCVEGCSA-N 1 2 349.387 2.115 20 5 EEBDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000026191981 463153055 /nfs/dbraw/zinc/15/30/55/463153055.db2.gz LPYOJXAJCFZCIP-HNNXBMFYSA-N 1 2 348.447 2.412 20 5 EEBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])no1 ZINC000027887878 463207064 /nfs/dbraw/zinc/20/70/64/463207064.db2.gz BTONBYGTOGKJGV-CQSZACIVSA-N 1 2 330.344 2.327 20 5 EEBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])no1 ZINC000027887878 463207070 /nfs/dbraw/zinc/20/70/70/463207070.db2.gz BTONBYGTOGKJGV-CQSZACIVSA-N 1 2 330.344 2.327 20 5 EEBDLO COc1ccc([C@@H](Nc2c([N+](=O)[O-])ncn2C)c2[nH+]ccn2C)cc1 ZINC000028620644 463228312 /nfs/dbraw/zinc/22/83/12/463228312.db2.gz UVBZQZDEDLJCCT-CYBMUJFWSA-N 1 2 342.359 2.272 20 5 EEBDLO COC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)C ZINC000151546779 463550918 /nfs/dbraw/zinc/55/09/18/463550918.db2.gz NXZUZMGNAYVCQG-CYBMUJFWSA-N 1 2 332.360 2.181 20 5 EEBDLO Cc1cc(NC[C@H]2C[N@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108945449 463630327 /nfs/dbraw/zinc/63/03/27/463630327.db2.gz IKRMZFVIGHAEAR-HNNXBMFYSA-N 1 2 343.387 2.103 20 5 EEBDLO Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108945449 463630330 /nfs/dbraw/zinc/63/03/30/463630330.db2.gz IKRMZFVIGHAEAR-HNNXBMFYSA-N 1 2 343.387 2.103 20 5 EEBDLO Cc1sc(C(=O)N2CCN(c3cc[nH+]c(C)n3)CC2)cc1[N+](=O)[O-] ZINC000184952460 463725134 /nfs/dbraw/zinc/72/51/34/463725134.db2.gz NXSCEVPLUMXOIK-UHFFFAOYSA-N 1 2 347.400 2.026 20 5 EEBDLO CCOC(=O)N1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000194841762 463941049 /nfs/dbraw/zinc/94/10/49/463941049.db2.gz VCYKYYBOFXNRAF-UHFFFAOYSA-N 1 2 347.375 2.066 20 5 EEBDLO CCOC(=O)N1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000194841762 463941054 /nfs/dbraw/zinc/94/10/54/463941054.db2.gz VCYKYYBOFXNRAF-UHFFFAOYSA-N 1 2 347.375 2.066 20 5 EEBDLO CC(=O)c1cc(N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000287774048 463995708 /nfs/dbraw/zinc/99/57/08/463995708.db2.gz NXIIMSRLPXYAAN-UHFFFAOYSA-N 1 2 335.404 2.344 20 5 EEBDLO CC(=O)c1cc(N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000287774048 463995717 /nfs/dbraw/zinc/99/57/17/463995717.db2.gz NXIIMSRLPXYAAN-UHFFFAOYSA-N 1 2 335.404 2.344 20 5 EEBDLO O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000262395280 464017825 /nfs/dbraw/zinc/01/78/25/464017825.db2.gz ZDEIYUUXQAISKF-UHFFFAOYSA-N 1 2 348.384 2.476 20 5 EEBDLO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279235588 464073260 /nfs/dbraw/zinc/07/32/60/464073260.db2.gz FIXJJTFLDTYNMO-MLGOLLRUSA-N 1 2 333.388 2.057 20 5 EEBDLO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000279235588 464073265 /nfs/dbraw/zinc/07/32/65/464073265.db2.gz FIXJJTFLDTYNMO-MLGOLLRUSA-N 1 2 333.388 2.057 20 5 EEBDLO Cc1c(C[N@H+](C)Cc2ccccc2S(N)(=O)=O)cccc1[N+](=O)[O-] ZINC000292564084 464273535 /nfs/dbraw/zinc/27/35/35/464273535.db2.gz BFKMAWFKFKAMMA-UHFFFAOYSA-N 1 2 349.412 2.183 20 5 EEBDLO Cc1c(C[N@@H+](C)Cc2ccccc2S(N)(=O)=O)cccc1[N+](=O)[O-] ZINC000292564084 464273540 /nfs/dbraw/zinc/27/35/40/464273540.db2.gz BFKMAWFKFKAMMA-UHFFFAOYSA-N 1 2 349.412 2.183 20 5 EEBDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000547729838 468419535 /nfs/dbraw/zinc/41/95/35/468419535.db2.gz GFBFSBIJRAJSFS-UHFFFAOYSA-N 1 2 338.327 2.225 20 5 EEBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276313074 464886338 /nfs/dbraw/zinc/88/63/38/464886338.db2.gz MUYIBBXRYFDAJP-LBPRGKRZSA-N 1 2 325.340 2.444 20 5 EEBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276313074 464886344 /nfs/dbraw/zinc/88/63/44/464886344.db2.gz MUYIBBXRYFDAJP-LBPRGKRZSA-N 1 2 325.340 2.444 20 5 EEBDLO COC(=O)Cc1ccc(NCc2c[nH+]ccc2OC)c([N+](=O)[O-])c1 ZINC000295678945 464926208 /nfs/dbraw/zinc/92/62/08/464926208.db2.gz LVULOSYRDULVOL-UHFFFAOYSA-N 1 2 331.328 2.326 20 5 EEBDLO COc1cc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)ccc1[N+](=O)[O-] ZINC000338041894 465773225 /nfs/dbraw/zinc/77/32/25/465773225.db2.gz BUEZULZIRVFQDG-UHFFFAOYSA-N 1 2 340.339 2.490 20 5 EEBDLO CNc1c(C(=O)NCc2ccc(N(C)C)[nH+]c2)cccc1[N+](=O)[O-] ZINC000361124062 465781682 /nfs/dbraw/zinc/78/16/82/465781682.db2.gz QXYOFVBRWOOXND-UHFFFAOYSA-N 1 2 329.360 2.028 20 5 EEBDLO CC(C)n1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000361301810 465894218 /nfs/dbraw/zinc/89/42/18/465894218.db2.gz RSADZBFLIRXYIP-UHFFFAOYSA-N 1 2 340.343 2.810 20 5 EEBDLO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Br)cn1 ZINC000361398148 465959253 /nfs/dbraw/zinc/95/92/53/465959253.db2.gz QISKWDDLMUVYPA-QMMMGPOBSA-N 1 2 340.181 2.337 20 5 EEBDLO COc1ccc2[nH+]c(C)nc(NCCn3cc([N+](=O)[O-])cn3)c2c1 ZINC000301943200 466065975 /nfs/dbraw/zinc/06/59/75/466065975.db2.gz XYQFQINLGUCWSM-UHFFFAOYSA-N 1 2 328.332 2.164 20 5 EEBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnnn2CC2CC2)cc1[N+](=O)[O-] ZINC000349341585 466073143 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1207606694 /nfs/dbraw/zinc/60/66/94/1207606694.db2.gz PYAAFAXIAWIMHK-ZDUSSCGKSA-N 1 2 335.404 2.483 20 5 EEBDLO CCO[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000932973462 1207709094 /nfs/dbraw/zinc/70/90/94/1207709094.db2.gz XIVPULJANIZNGR-NSHDSACASA-N 1 2 327.768 2.298 20 5 EEBDLO CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000932973462 1207709098 /nfs/dbraw/zinc/70/90/98/1207709098.db2.gz XIVPULJANIZNGR-NSHDSACASA-N 1 2 327.768 2.298 20 5 EEBDLO CCN(CCCNC(=O)Cc1[nH]c[nH+]c1C)c1ccc([N+](=O)[O-])cc1 ZINC001095899797 1215748383 /nfs/dbraw/zinc/74/83/83/1215748383.db2.gz TVOHSEDPYGXXLN-UHFFFAOYSA-N 1 2 345.403 2.202 20 5 EEBDLO CCN(CCCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC001095973281 1232843837 /nfs/dbraw/zinc/84/38/37/1232843837.db2.gz SMVHZQFFRGOTNU-UHFFFAOYSA-N 1 2 349.366 2.032 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101463136 1245861251 /nfs/dbraw/zinc/86/12/51/1245861251.db2.gz GSIXJOUXRUCYNB-UHFFFAOYSA-N 1 2 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2.157 20 5 EEBDLO COC[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccco1 ZINC000347616987 465125297 /nfs/dbraw/zinc/12/52/97/465125297.db2.gz PSIIMKAOTLBANJ-GFCCVEGCSA-N 1 2 333.344 2.412 20 5 EEBDLO CC[C@@H]1C[N@H+](CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000351599090 465243385 /nfs/dbraw/zinc/24/33/85/465243385.db2.gz AZYPBAOXDHVBJJ-CQSZACIVSA-N 1 2 349.431 2.099 20 5 EEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000351599090 465243387 /nfs/dbraw/zinc/24/33/87/465243387.db2.gz AZYPBAOXDHVBJJ-CQSZACIVSA-N 1 2 349.431 2.099 20 5 EEBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCn2cc[nH+]c2C1 ZINC000351630696 465261500 /nfs/dbraw/zinc/26/15/00/465261500.db2.gz QJEZYERXIZKJTN-GFCCVEGCSA-N 1 2 348.790 2.366 20 5 EEBDLO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C ZINC000155536466 462905507 /nfs/dbraw/zinc/90/55/07/462905507.db2.gz FEOLFDPDTGQXKO-UHFFFAOYSA-N 1 2 337.376 2.197 20 5 EEBDLO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)OC(C)(C)C 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CC(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC[NH+](C)CC1 ZINC000186283254 278822920 /nfs/dbraw/zinc/82/29/20/278822920.db2.gz WPKBLTRWRFNGAJ-UHFFFAOYSA-N 1 2 335.404 2.493 20 5 EEBDLO Cc1c(Br)c(N2CCn3c[nH+]cc3C2)ncc1[N+](=O)[O-] ZINC000357569630 280198458 /nfs/dbraw/zinc/19/84/58/280198458.db2.gz PKKPYBQDCSGAMC-UHFFFAOYSA-N 1 2 338.165 2.277 20 5 EEBDLO COc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1O ZINC000296143593 293901494 /nfs/dbraw/zinc/90/14/94/293901494.db2.gz WXTFKMOPQDFOIC-UHFFFAOYSA-N 1 2 344.371 2.026 20 5 EEBDLO Cc1nc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000296594492 294016465 /nfs/dbraw/zinc/01/64/65/294016465.db2.gz SHBMXCULYINEQB-OAHLLOKOSA-N 1 2 343.387 2.179 20 5 EEBDLO Cc1cccc(N2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1C ZINC000332404081 312002284 /nfs/dbraw/zinc/00/22/84/312002284.db2.gz APUWTKWVLABEEX-UHFFFAOYSA-N 1 2 329.404 2.267 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000421424940 314101029 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330.348 2.122 20 5 EEBDLO Cn1c[nH+]c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000083577540 463551571 /nfs/dbraw/zinc/55/15/71/463551571.db2.gz IIKCNNWFHCCAOS-UHFFFAOYSA-N 1 2 332.341 2.282 20 5 EEBDLO C[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2nccn21 ZINC000590661002 468297991 /nfs/dbraw/zinc/29/79/91/468297991.db2.gz HRIZZINQRPBFQE-JQWIXIFHSA-N 1 2 330.344 2.358 20 5 EEBDLO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCn1cc[nH+]c1 ZINC000116620195 462766730 /nfs/dbraw/zinc/76/67/30/462766730.db2.gz KOCHUZHASAGZQP-UHFFFAOYSA-N 1 2 338.751 2.030 20 5 EEBDLO CC(C)(C)OCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000065950495 462842693 /nfs/dbraw/zinc/84/26/93/462842693.db2.gz LTWQIQLTXXNBQK-UHFFFAOYSA-N 1 2 341.433 2.229 20 5 EEBDLO Cc1csc(C(C)(C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000118848868 462856909 /nfs/dbraw/zinc/85/69/09/462856909.db2.gz OPPFTGAMSFMXLD-UHFFFAOYSA-N 1 2 334.401 2.484 20 5 EEBDLO Cc1ccc2[nH+]c(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cn2c1 ZINC000016209859 462971631 /nfs/dbraw/zinc/97/16/31/462971631.db2.gz AVLIUWHNEBTGOQ-UHFFFAOYSA-N 1 2 336.307 2.347 20 5 EEBDLO CC[C@]1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000135312998 463142298 /nfs/dbraw/zinc/14/22/98/463142298.db2.gz DDWDIZFXHNMIMV-QGZVFWFLSA-N 1 2 344.371 2.422 20 5 EEBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000027215037 463184799 /nfs/dbraw/zinc/18/47/99/463184799.db2.gz WGNHUGLAZPKFHT-LBPRGKRZSA-N 1 2 331.376 2.096 20 5 EEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000027215037 463184802 /nfs/dbraw/zinc/18/48/02/463184802.db2.gz WGNHUGLAZPKFHT-LBPRGKRZSA-N 1 2 331.376 2.096 20 5 EEBDLO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nnc2ccccn21 ZINC000081006614 463380762 /nfs/dbraw/zinc/38/07/62/463380762.db2.gz YBMNWKGEHSREKD-UHFFFAOYSA-N 1 2 327.344 2.148 20 5 EEBDLO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])Cc1nnc2ccccn21 ZINC000081006614 463380769 /nfs/dbraw/zinc/38/07/69/463380769.db2.gz YBMNWKGEHSREKD-UHFFFAOYSA-N 1 2 327.344 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Cn1c(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000619778349 469680841 /nfs/dbraw/zinc/68/08/41/469680841.db2.gz ULWYPCIXIFYMKI-ZDUSSCGKSA-N 1 2 348.790 2.373 20 5 EEBDLO O=C(CC[N@@H+]1CCO[C@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000610079569 469979943 /nfs/dbraw/zinc/97/99/43/469979943.db2.gz XOSPDKUBTWZQAS-LBPRGKRZSA-N 1 2 347.293 2.187 20 5 EEBDLO O=C(CC[N@H+]1CCO[C@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000610079569 469979944 /nfs/dbraw/zinc/97/99/44/469979944.db2.gz XOSPDKUBTWZQAS-LBPRGKRZSA-N 1 2 347.293 2.187 20 5 EEBDLO CC1CC[NH+](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CC1 ZINC000132473138 528231827 /nfs/dbraw/zinc/23/18/27/528231827.db2.gz LFMAYSVPJXSKTA-UHFFFAOYSA-N 1 2 344.375 2.050 20 5 EEBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774881096 577421864 /nfs/dbraw/zinc/42/18/64/577421864.db2.gz PHESOIHWSYAJHM-CQSZACIVSA-N 1 2 348.359 2.090 20 5 EEBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774881096 577421866 /nfs/dbraw/zinc/42/18/66/577421866.db2.gz PHESOIHWSYAJHM-CQSZACIVSA-N 1 2 348.359 2.090 20 5 EEBDLO O=[N+]([O-])c1ccc([C@H](O)Cn2c3ccccc3[nH+]c2NCCO)cc1 ZINC000776271277 577456119 /nfs/dbraw/zinc/45/61/19/577456119.db2.gz JRMXUNKUMVVBAX-MRXNPFEDSA-N 1 2 342.355 2.082 20 5 EEBDLO Cc1cc(N2CC[NH+](CC[S@@](C)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000771142406 577610485 /nfs/dbraw/zinc/61/04/85/577610485.db2.gz AOGFWLWAKMVTIM-JOCHJYFZSA-N 1 2 345.852 2.057 20 5 EEBDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000753895895 577795788 /nfs/dbraw/zinc/79/57/88/577795788.db2.gz PNMODOLQCAALFE-TXEJJXNPSA-N 1 2 340.763 2.268 20 5 EEBDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000753895895 577795789 /nfs/dbraw/zinc/79/57/89/577795789.db2.gz PNMODOLQCAALFE-TXEJJXNPSA-N 1 2 340.763 2.268 20 5 EEBDLO O=[N+]([O-])c1nn(C[N@@H+]2CCC3(C2)CCOCC3)cc1Br ZINC000743405131 577884884 /nfs/dbraw/zinc/88/48/84/577884884.db2.gz FOYVUXFUYPLQFD-UHFFFAOYSA-N 1 2 345.197 2.014 20 5 EEBDLO O=[N+]([O-])c1nn(C[N@H+]2CCC3(C2)CCOCC3)cc1Br ZINC000743405131 577884885 /nfs/dbraw/zinc/88/48/85/577884885.db2.gz FOYVUXFUYPLQFD-UHFFFAOYSA-N 1 2 345.197 2.014 20 5 EEBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[NH+]1C2CCC1CC2 ZINC000747076189 577938905 /nfs/dbraw/zinc/93/89/05/577938905.db2.gz LNDPBLNAIMVIJY-UHFFFAOYSA-N 1 2 326.356 2.403 20 5 EEBDLO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000748204699 577957401 /nfs/dbraw/zinc/95/74/01/577957401.db2.gz UHBZERYIULUGKK-UHFFFAOYSA-N 1 2 332.272 2.467 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000891345323 676412901 /nfs/dbraw/zinc/41/29/01/676412901.db2.gz UQBNIRAMAGWDRK-LLVKDONJSA-N 1 2 337.767 2.223 20 5 EEBDLO O=C(c1cocn1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029239423 683661332 /nfs/dbraw/zinc/66/13/32/683661332.db2.gz OPWDFCBJRQAQIH-GASCZTMLSA-N 1 2 342.355 2.072 20 5 EEBDLO O=C(c1cocn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029239423 683661336 /nfs/dbraw/zinc/66/13/36/683661336.db2.gz OPWDFCBJRQAQIH-GASCZTMLSA-N 1 2 342.355 2.072 20 5 EEBDLO CC[C@H](C[NH+]1CCOCC1)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000895801045 684730324 /nfs/dbraw/zinc/73/03/24/684730324.db2.gz DVCVVUKMPIEDKS-LLVKDONJSA-N 1 2 327.356 2.265 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c1C ZINC000896187862 684887515 /nfs/dbraw/zinc/88/75/15/684887515.db2.gz UDMIACASERVDFV-ZIAGYGMSSA-N 1 2 335.404 2.051 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932435304 1207604883 /nfs/dbraw/zinc/60/48/83/1207604883.db2.gz VWWBDLQGFGBZOP-AWEZNQCLSA-N 1 2 335.404 2.483 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932435304 1207604886 /nfs/dbraw/zinc/60/48/86/1207604886.db2.gz VWWBDLQGFGBZOP-AWEZNQCLSA-N 1 2 335.404 2.483 20 5 EEBDLO O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935486636 1208162541 /nfs/dbraw/zinc/16/25/41/1208162541.db2.gz RVVJEKYAWYEXDF-YUELXQCFSA-N 1 2 326.356 2.026 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CCCC[NH2+]C4)c3nc2cc1C ZINC001217971806 1297539022 /nfs/dbraw/zinc/53/90/22/1297539022.db2.gz XGZDXCTWFOVECM-LBPRGKRZSA-N 1 2 339.399 2.416 20 5 EEBDLO C[C@H]1C[NH2+]CCC[C@@H]1Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001217994311 1297543371 /nfs/dbraw/zinc/54/33/71/1297543371.db2.gz ZEUFSZADYOZTAV-CBAPKCEASA-N 1 2 335.282 2.481 20 5 EEBDLO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@@H]1C[NH2+]CC1(F)F ZINC001218235591 1297611481 /nfs/dbraw/zinc/61/14/81/1297611481.db2.gz MKOHLLDOVLTLPR-SECBINFHSA-N 1 2 336.678 2.021 20 5 EEBDLO O=C(Cn1cc[nH+]c1)NC1(CNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001103432915 1302954005 /nfs/dbraw/zinc/95/40/05/1302954005.db2.gz LLENJZLHBYUXTA-UHFFFAOYSA-N 1 2 343.387 2.332 20 5 EEBDLO O=C(NC[C@H]1CCC=CO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000781486795 1303806223 /nfs/dbraw/zinc/80/62/23/1303806223.db2.gz FJMKCRHLCYNMOM-CYBMUJFWSA-N 1 2 328.328 2.203 20 5 EEBDLO CC(C)([NH2+]Cc1nc(-c2nn[nH]n2)cs1)c1ccccc1[N+](=O)[O-] ZINC001609084858 1351835285 /nfs/dbraw/zinc/83/52/85/1351835285.db2.gz HKSITIDDYXMNMK-UHFFFAOYSA-N 1 2 345.388 2.256 20 5 EEBDLO CCc1nc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)co1 ZINC001031623310 770391468 /nfs/dbraw/zinc/39/14/68/770391468.db2.gz AYIZACCKCXGIBB-UHFFFAOYSA-N 1 2 344.371 2.007 20 5 EEBDLO CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)C(=O)CCn1cc[nH+]c1 ZINC001106904255 773831277 /nfs/dbraw/zinc/83/12/77/773831277.db2.gz IERRTHFSFBESMF-UHFFFAOYSA-N 1 2 345.403 2.450 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)NC/C=C\CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107565932 787670315 /nfs/dbraw/zinc/67/03/15/787670315.db2.gz HMIMJQKHOIEPLO-UPHRSURJSA-N 1 2 347.350 2.174 20 5 EEBDLO O=C(CCc1c[nH+]c[nH]1)NC/C=C\CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107565932 787670322 /nfs/dbraw/zinc/67/03/22/787670322.db2.gz HMIMJQKHOIEPLO-UPHRSURJSA-N 1 2 347.350 2.174 20 5 EEBDLO O=C(Nc1ccccc1)C1CC[NH+](Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000151373880 788903014 /nfs/dbraw/zinc/90/30/14/788903014.db2.gz PESYUWLOAOXUQP-UHFFFAOYSA-N 1 2 329.360 2.100 20 5 EEBDLO COC(=O)c1ccc(OC(=O)C[C@@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000844478221 789129188 /nfs/dbraw/zinc/12/91/88/789129188.db2.gz FOFDVKCEVBCGSP-SNVBAGLBSA-N 1 2 333.300 2.135 20 5 EEBDLO Cc1cn(C(C)(C)C(=O)NCCNc2ccc(C)cc2[N+](=O)[O-])c[nH+]1 ZINC001094223695 796006272 /nfs/dbraw/zinc/00/62/72/796006272.db2.gz WOCCCXMKOASSIM-UHFFFAOYSA-N 1 2 345.403 2.372 20 5 EEBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC([C@H]([NH3+])C(=O)OC(C)(C)C)C1 ZINC001173228875 797311232 /nfs/dbraw/zinc/31/12/32/797311232.db2.gz LBZYSQGUXMFQET-WBMJQRKESA-N 1 2 349.431 2.127 20 5 EEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000807924431 812387358 /nfs/dbraw/zinc/38/73/58/812387358.db2.gz IDPJUFVUDHIMLB-GOSISDBHSA-N 1 2 348.447 2.481 20 5 EEBDLO C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000104593261 219396846 /nfs/dbraw/zinc/39/68/46/219396846.db2.gz XJCUBAADOCEHJU-QWRGUYRKSA-N 1 2 341.795 2.087 20 5 EEBDLO CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072980005 216335642 /nfs/dbraw/zinc/33/56/42/216335642.db2.gz VJPXKANYSQLFPF-MRXNPFEDSA-N 1 2 335.404 2.305 20 5 EEBDLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072980005 216335646 /nfs/dbraw/zinc/33/56/46/216335646.db2.gz VJPXKANYSQLFPF-MRXNPFEDSA-N 1 2 335.404 2.305 20 5 EEBDLO Cc1nnc([C@H]2C[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)[nH]1 ZINC000245516835 243119840 /nfs/dbraw/zinc/11/98/40/243119840.db2.gz GKNKHNIJCPTPDV-IAQYHMDHSA-N 1 2 331.376 2.464 20 5 EEBDLO Cc1nnc([C@H]2C[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)[nH]1 ZINC000245516835 243119849 /nfs/dbraw/zinc/11/98/49/243119849.db2.gz GKNKHNIJCPTPDV-IAQYHMDHSA-N 1 2 331.376 2.464 20 5 EEBDLO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264389317 246438071 /nfs/dbraw/zinc/43/80/71/246438071.db2.gz FFZBMFLBOGJNSK-HZMBPMFUSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000264389317 246438075 /nfs/dbraw/zinc/43/80/75/246438075.db2.gz FFZBMFLBOGJNSK-HZMBPMFUSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000072781813 159044788 /nfs/dbraw/zinc/04/47/88/159044788.db2.gz MKQXGCBMMLWWPO-LLVKDONJSA-N 1 2 334.401 2.468 20 5 EEBDLO Cc1cccc2[nH+]c(CNc3cccc(C(N)=O)c3[N+](=O)[O-])cn21 ZINC000342227521 161049062 /nfs/dbraw/zinc/04/90/62/161049062.db2.gz RQTPUBGUXXUYTH-UHFFFAOYSA-N 1 2 325.328 2.262 20 5 EEBDLO C[C@H]1CSC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342334498 161056944 /nfs/dbraw/zinc/05/69/44/161056944.db2.gz CDMQXMHLSZBEHU-JQWIXIFHSA-N 1 2 332.385 2.262 20 5 EEBDLO CC[C@@H](O)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000343617734 161151864 /nfs/dbraw/zinc/15/18/64/161151864.db2.gz REJWWBYMDHMINK-CYBMUJFWSA-N 1 2 332.360 2.061 20 5 EEBDLO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000344203152 161207130 /nfs/dbraw/zinc/20/71/30/161207130.db2.gz CAZVUWOBOXAYLR-UHFFFAOYSA-N 1 2 333.319 2.285 20 5 EEBDLO CCN1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000359988361 164210574 /nfs/dbraw/zinc/21/05/74/164210574.db2.gz SLBMYSVZAVEUOE-CQSZACIVSA-N 1 2 331.376 2.210 20 5 EEBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000360816182 164385520 /nfs/dbraw/zinc/38/55/20/164385520.db2.gz ZKPWIBBIFUNLNW-UHFFFAOYSA-N 1 2 346.734 2.420 20 5 EEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000364512009 165165590 /nfs/dbraw/zinc/16/55/90/165165590.db2.gz RNRDJONMDHEABC-GFCCVEGCSA-N 1 2 339.302 2.235 20 5 EEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000364512009 165165593 /nfs/dbraw/zinc/16/55/93/165165593.db2.gz RNRDJONMDHEABC-GFCCVEGCSA-N 1 2 339.302 2.235 20 5 EEBDLO COc1cc(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)ccc1[N+](=O)[O-] ZINC000272716855 269012157 /nfs/dbraw/zinc/01/21/57/269012157.db2.gz YSBAKKLTGCANBB-CQSZACIVSA-N 1 2 348.359 2.435 20 5 EEBDLO COc1cc(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)ccc1[N+](=O)[O-] ZINC000272716855 269012158 /nfs/dbraw/zinc/01/21/58/269012158.db2.gz YSBAKKLTGCANBB-CQSZACIVSA-N 1 2 348.359 2.435 20 5 EEBDLO Cc1c(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000277839190 269189426 /nfs/dbraw/zinc/18/94/26/269189426.db2.gz SANFKLSVIFUCEY-AWEZNQCLSA-N 1 2 326.418 2.302 20 5 EEBDLO Cc1c(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000277839190 269189427 /nfs/dbraw/zinc/18/94/27/269189427.db2.gz SANFKLSVIFUCEY-AWEZNQCLSA-N 1 2 326.418 2.302 20 5 EEBDLO Cc1nn(CCC(=O)Nc2ccn3cc[nH+]c3c2)c(C)c1[N+](=O)[O-] ZINC000280858250 269394456 /nfs/dbraw/zinc/39/44/56/269394456.db2.gz XFTZRYVLCUNUQX-UHFFFAOYSA-N 1 2 328.332 2.085 20 5 EEBDLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000373920669 288723779 /nfs/dbraw/zinc/72/37/79/288723779.db2.gz CURNCEQJEQOXQY-ZDUSSCGKSA-N 1 2 344.375 2.387 20 5 EEBDLO C[C@H]([C@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000295337529 293688838 /nfs/dbraw/zinc/68/88/38/293688838.db2.gz UPSBPUKXWMLJLT-WDEREUQCSA-N 1 2 341.795 2.087 20 5 EEBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)c1 ZINC000298891961 294610997 /nfs/dbraw/zinc/61/09/97/294610997.db2.gz XPAZSNLEJMADLX-UHFFFAOYSA-N 1 2 328.372 2.189 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Cc1ccccc1 ZINC000436957172 315015940 /nfs/dbraw/zinc/01/59/40/315015940.db2.gz SHZGMLJBWNXCNS-OAHLLOKOSA-N 1 2 343.383 2.203 20 5 EEBDLO C[C@H](C[C@H]1CCCO1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448868567 315394785 /nfs/dbraw/zinc/39/47/85/315394785.db2.gz KPWIATWEYNFUGV-TZMCWYRMSA-N 1 2 344.371 2.468 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCCCCn2cc[nH+]c2)c1 ZINC000539525886 318056789 /nfs/dbraw/zinc/05/67/89/318056789.db2.gz PCYZYBGQTZBJOG-UHFFFAOYSA-N 1 2 346.387 2.465 20 5 EEBDLO O=C1NCCN1[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000548297465 318372440 /nfs/dbraw/zinc/37/24/40/318372440.db2.gz QIXBTDUTGVNXRJ-LLVKDONJSA-N 1 2 338.795 2.238 20 5 EEBDLO O=C1NCCN1[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000548297465 318372442 /nfs/dbraw/zinc/37/24/42/318372442.db2.gz QIXBTDUTGVNXRJ-LLVKDONJSA-N 1 2 338.795 2.238 20 5 EEBDLO C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000552227495 318504403 /nfs/dbraw/zinc/50/44/03/318504403.db2.gz HLCVMCZPJWUTPW-LLVKDONJSA-N 1 2 329.360 2.409 20 5 EEBDLO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000564916404 319127426 /nfs/dbraw/zinc/12/74/26/319127426.db2.gz NBPBPTOCDOJDML-RYUDHWBXSA-N 1 2 338.408 2.128 20 5 EEBDLO C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000564916404 319127427 /nfs/dbraw/zinc/12/74/27/319127427.db2.gz NBPBPTOCDOJDML-RYUDHWBXSA-N 1 2 338.408 2.128 20 5 EEBDLO CN(C)c1ccc2cc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)ccc2[nH+]1 ZINC000351523341 465201726 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OYUATRZUURUZKI-GOSISDBHSA-N 1 2 347.415 2.289 20 5 EEBDLO COCC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)C(N)=O ZINC000119916066 462940762 /nfs/dbraw/zinc/94/07/62/462940762.db2.gz OPYJWHBQYQMRNP-LBPRGKRZSA-N 1 2 347.371 2.177 20 5 EEBDLO COCC[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)C(N)=O ZINC000119916066 462940765 /nfs/dbraw/zinc/94/07/65/462940765.db2.gz OPYJWHBQYQMRNP-LBPRGKRZSA-N 1 2 347.371 2.177 20 5 EEBDLO Cc1cc(N[C@H]2CCC(=O)N(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077992407 463078108 /nfs/dbraw/zinc/07/81/08/463078108.db2.gz MQBFKSJBJBGHTB-ZDUSSCGKSA-N 1 2 341.371 2.393 20 5 EEBDLO Cc1ccnc(NC(=O)C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000069012238 463199062 /nfs/dbraw/zinc/19/90/62/463199062.db2.gz NBJDTJAJGXIJKZ-UHFFFAOYSA-N 1 2 344.371 2.248 20 5 EEBDLO Cc1ccnc(NC(=O)C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000069012238 463199068 /nfs/dbraw/zinc/19/90/68/463199068.db2.gz NBJDTJAJGXIJKZ-UHFFFAOYSA-N 1 2 344.371 2.248 20 5 EEBDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030912498 463316633 /nfs/dbraw/zinc/31/66/33/463316633.db2.gz AUDFUFUEHPTDIO-UONOGXRCSA-N 1 2 334.420 2.020 20 5 EEBDLO Nc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000055695756 463342191 /nfs/dbraw/zinc/34/21/91/463342191.db2.gz MJUGUTJXVROOQT-UHFFFAOYSA-N 1 2 337.339 2.293 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000080654001 463342820 /nfs/dbraw/zinc/34/28/20/463342820.db2.gz GQOATBUBYWMDLL-UHFFFAOYSA-N 1 2 346.431 2.259 20 5 EEBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCn1cc[nH+]c1 ZINC000160782039 463370243 /nfs/dbraw/zinc/37/02/43/463370243.db2.gz KJBKUGYCCNCBIA-UHFFFAOYSA-N 1 2 331.376 2.113 20 5 EEBDLO C[C@@]1(O)CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000124427453 463422536 /nfs/dbraw/zinc/42/25/36/463422536.db2.gz AYCGDQHITFAASF-CQSZACIVSA-N 1 2 327.768 2.034 20 5 EEBDLO C[C@@]1(O)CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000124427453 463422538 /nfs/dbraw/zinc/42/25/38/463422538.db2.gz AYCGDQHITFAASF-CQSZACIVSA-N 1 2 327.768 2.034 20 5 EEBDLO O=[N+]([O-])c1cccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)c1 ZINC000105788656 463464780 /nfs/dbraw/zinc/46/47/80/463464780.db2.gz VHFHHJRDFFPPHK-AWEZNQCLSA-N 1 2 343.387 2.206 20 5 EEBDLO O=[N+]([O-])c1cccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)c1 ZINC000105788656 463464785 /nfs/dbraw/zinc/46/47/85/463464785.db2.gz VHFHHJRDFFPPHK-AWEZNQCLSA-N 1 2 343.387 2.206 20 5 EEBDLO Cc1cc(NCC(=O)NC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057825683 463520958 /nfs/dbraw/zinc/52/09/58/463520958.db2.gz AUNJMXQUNBTATG-UHFFFAOYSA-N 1 2 329.360 2.297 20 5 EEBDLO O=[N+]([O-])c1ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(F)c1 ZINC000042108634 463542231 /nfs/dbraw/zinc/54/22/31/463542231.db2.gz ZNWQFJNCMUZYBO-HNNXBMFYSA-N 1 2 341.408 2.354 20 5 EEBDLO O=C(Nc1ccccn1)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000058162634 463546177 /nfs/dbraw/zinc/54/61/77/463546177.db2.gz SFWFWDSBKOREHB-UHFFFAOYSA-N 1 2 341.371 2.340 20 5 EEBDLO COc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC000058816517 463624244 /nfs/dbraw/zinc/62/42/44/463624244.db2.gz QIZNUMFZHNBGCM-UHFFFAOYSA-N 1 2 348.384 2.300 20 5 EEBDLO COc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cc1[N+](=O)[O-] ZINC000058816517 463624248 /nfs/dbraw/zinc/62/42/48/463624248.db2.gz QIZNUMFZHNBGCM-UHFFFAOYSA-N 1 2 348.384 2.300 20 5 EEBDLO Cc1c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000152530777 463700749 /nfs/dbraw/zinc/70/07/49/463700749.db2.gz PBDOJUFZWSSAMF-CYBMUJFWSA-N 1 2 326.356 2.307 20 5 EEBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177735644 463779616 /nfs/dbraw/zinc/77/96/16/463779616.db2.gz IXJOCGJGIOLCAY-WHWKNOJMSA-N 1 2 326.356 2.496 20 5 EEBDLO CCOc1cc(C[N@H+](CC)[C@@H](C)CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276876600 463791445 /nfs/dbraw/zinc/79/14/45/463791445.db2.gz IGWWTBMHSWXMQV-LBPRGKRZSA-N 1 2 344.433 2.249 20 5 EEBDLO CCOc1cc(C[N@@H+](CC)[C@@H](C)CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276876600 463791448 /nfs/dbraw/zinc/79/14/48/463791448.db2.gz IGWWTBMHSWXMQV-LBPRGKRZSA-N 1 2 344.433 2.249 20 5 EEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000287276547 463855680 /nfs/dbraw/zinc/85/56/80/463855680.db2.gz LOAQPLYVPZXBBO-NSHDSACASA-N 1 2 348.428 2.411 20 5 EEBDLO C[C@@H](O)C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000269904101 464125517 /nfs/dbraw/zinc/12/55/17/464125517.db2.gz MSJHGCDKXMLYSB-OCCSQVGLSA-N 1 2 344.371 2.156 20 5 EEBDLO Cn1c[nH+]cc1CNC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000290835058 464133440 /nfs/dbraw/zinc/13/34/40/464133440.db2.gz YHJPPRXTDHBZMQ-UHFFFAOYSA-N 1 2 331.376 2.150 20 5 EEBDLO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@]1=O ZINC000351924866 465447139 /nfs/dbraw/zinc/44/71/39/465447139.db2.gz JBJVCXXASPUQNG-MCFWBGNESA-N 1 2 349.412 2.245 20 5 EEBDLO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@]1=O ZINC000351924866 465447143 /nfs/dbraw/zinc/44/71/43/465447143.db2.gz JBJVCXXASPUQNG-MCFWBGNESA-N 1 2 349.412 2.245 20 5 EEBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1Cc1ccccc1 ZINC000284810751 464350177 /nfs/dbraw/zinc/35/01/77/464350177.db2.gz XACZRHKUSDCNOT-AWEZNQCLSA-N 1 2 329.356 2.187 20 5 EEBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@@H]1Cc1ccccc1 ZINC000284810751 464350180 /nfs/dbraw/zinc/35/01/80/464350180.db2.gz XACZRHKUSDCNOT-AWEZNQCLSA-N 1 2 329.356 2.187 20 5 EEBDLO COCCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000188825876 464376499 /nfs/dbraw/zinc/37/64/99/464376499.db2.gz XCDPQPYKUZNGJC-ZDUSSCGKSA-N 1 2 346.330 2.434 20 5 EEBDLO COCCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000188825876 464376504 /nfs/dbraw/zinc/37/65/04/464376504.db2.gz XCDPQPYKUZNGJC-ZDUSSCGKSA-N 1 2 346.330 2.434 20 5 EEBDLO O=C(C[N@H+]1CCC[C@@H](CO)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293191238 464391281 /nfs/dbraw/zinc/39/12/81/464391281.db2.gz QFFYFKHXHCKGJF-LLVKDONJSA-N 1 2 341.795 2.281 20 5 EEBDLO O=C(C[N@@H+]1CCC[C@@H](CO)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293191238 464391283 /nfs/dbraw/zinc/39/12/83/464391283.db2.gz QFFYFKHXHCKGJF-LLVKDONJSA-N 1 2 341.795 2.281 20 5 EEBDLO CC(C)[NH+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000294495485 464516947 /nfs/dbraw/zinc/51/69/47/464516947.db2.gz VBWGLGBDXIDSSI-UHFFFAOYSA-N 1 2 343.387 2.151 20 5 EEBDLO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000276188767 464840019 /nfs/dbraw/zinc/84/00/19/464840019.db2.gz HOTMIZFKHPUYNL-KOLCDFICSA-N 1 2 336.373 2.040 20 5 EEBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1[nH]nc(CC)c1[N+](=O)[O-] ZINC000192388873 464917634 /nfs/dbraw/zinc/91/76/34/464917634.db2.gz JEEVBNWACPNKKT-UHFFFAOYSA-N 1 2 348.407 2.192 20 5 EEBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000192388873 464917636 /nfs/dbraw/zinc/91/76/36/464917636.db2.gz JEEVBNWACPNKKT-UHFFFAOYSA-N 1 2 348.407 2.192 20 5 EEBDLO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1n1cc[nH+]c1 ZINC000268305870 465012427 /nfs/dbraw/zinc/01/24/27/465012427.db2.gz ZGCIWVVUEULPMB-MFKMUULPSA-N 1 2 328.332 2.415 20 5 EEBDLO CO[C@]1(C)CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000359722532 465485505 /nfs/dbraw/zinc/48/55/05/465485505.db2.gz PPVUBPNNBYDFJL-GOSISDBHSA-N 1 2 349.431 2.432 20 5 EEBDLO O=C(Nc1cccc2[nH+]ccn21)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000353213951 465720810 /nfs/dbraw/zinc/72/08/10/465720810.db2.gz DVTXONQUGZBVBO-UHFFFAOYSA-N 1 2 326.268 2.224 20 5 EEBDLO O=[N+]([O-])c1ccc(S(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000357045367 465724841 /nfs/dbraw/zinc/72/48/41/465724841.db2.gz BXHYLCNRQZIRHJ-UHFFFAOYSA-N 1 2 349.290 2.328 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@@H]1CO ZINC000330848376 465829175 /nfs/dbraw/zinc/82/91/75/465829175.db2.gz OUULZAHQHAJUHN-AWEZNQCLSA-N 1 2 326.418 2.292 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@@H]1CO ZINC000330848376 465829182 /nfs/dbraw/zinc/82/91/82/465829182.db2.gz OUULZAHQHAJUHN-AWEZNQCLSA-N 1 2 326.418 2.292 20 5 EEBDLO Cc1ccnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000357361322 465978525 /nfs/dbraw/zinc/97/85/25/465978525.db2.gz QKUXWCUQJXXSGR-UHFFFAOYSA-N 1 2 337.339 2.414 20 5 EEBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC(=O)N(C)C1=O ZINC000338320322 466022329 /nfs/dbraw/zinc/02/23/29/466022329.db2.gz KLJKNCYANSAIQO-ZDUSSCGKSA-N 1 2 339.779 2.218 20 5 EEBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC(=O)N(C)C1=O ZINC000338320322 466022336 /nfs/dbraw/zinc/02/23/36/466022336.db2.gz KLJKNCYANSAIQO-ZDUSSCGKSA-N 1 2 339.779 2.218 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000371851218 466037002 /nfs/dbraw/zinc/03/70/02/466037002.db2.gz DDQKNEHNRQYUJM-ZDUSSCGKSA-N 1 2 333.388 2.424 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOCC2(CCC2)C1 ZINC000371851218 466037006 /nfs/dbraw/zinc/03/70/06/466037006.db2.gz DDQKNEHNRQYUJM-ZDUSSCGKSA-N 1 2 333.388 2.424 20 5 EEBDLO COc1cccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)c1[N+](=O)[O-] ZINC000346787763 466154182 /nfs/dbraw/zinc/15/41/82/466154182.db2.gz CLIAKMUIZUQGKD-ZDUSSCGKSA-N 1 2 348.359 2.435 20 5 EEBDLO COc1cccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)c1[N+](=O)[O-] ZINC000346787763 466154189 /nfs/dbraw/zinc/15/41/89/466154189.db2.gz CLIAKMUIZUQGKD-ZDUSSCGKSA-N 1 2 348.359 2.435 20 5 EEBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000347268558 466522333 /nfs/dbraw/zinc/52/23/33/466522333.db2.gz MNKCDZICCBIMDS-MLGOLLRUSA-N 1 2 344.371 2.468 20 5 EEBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1cccc([N+](=O)[O-])c1 ZINC000365560375 466862357 /nfs/dbraw/zinc/86/23/57/466862357.db2.gz MIVVMIOKYHGPKN-UHFFFAOYSA-N 1 2 329.360 2.492 20 5 EEBDLO COc1ccc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000365620464 466884819 /nfs/dbraw/zinc/88/48/19/466884819.db2.gz HKBOZGHVXGQCTB-ZDUSSCGKSA-N 1 2 344.371 2.357 20 5 EEBDLO CCOc1cc(C[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000412023999 466969280 /nfs/dbraw/zinc/96/92/80/466969280.db2.gz AYEKPGAVBPRDMZ-CYBMUJFWSA-N 1 2 331.376 2.410 20 5 EEBDLO CCOc1cc(C[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)ccc1[N+](=O)[O-] ZINC000412023999 466969285 /nfs/dbraw/zinc/96/92/85/466969285.db2.gz AYEKPGAVBPRDMZ-CYBMUJFWSA-N 1 2 331.376 2.410 20 5 EEBDLO C[NH+]1CCC2(CCCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)CC1 ZINC000374162244 467018179 /nfs/dbraw/zinc/01/81/79/467018179.db2.gz NMIBSOQKRSRCSJ-UHFFFAOYSA-N 1 2 333.388 2.248 20 5 EEBDLO NC(=O)[C@H]1c2ccccc2CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000377584659 467092007 /nfs/dbraw/zinc/09/20/07/467092007.db2.gz TXGYCJHMBJGULR-QGZVFWFLSA-N 1 2 341.367 2.058 20 5 EEBDLO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000377584659 467092010 /nfs/dbraw/zinc/09/20/10/467092010.db2.gz TXGYCJHMBJGULR-QGZVFWFLSA-N 1 2 341.367 2.058 20 5 EEBDLO CC[C@@]1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000451030020 467229856 /nfs/dbraw/zinc/22/98/56/467229856.db2.gz WJWKAJVGOGUOCZ-KRWDZBQOSA-N 1 2 344.371 2.422 20 5 EEBDLO CN(c1ccccc1)c1cc(NCCn2cc([N+](=O)[O-])cn2)[nH+]cn1 ZINC000432341439 467232963 /nfs/dbraw/zinc/23/29/63/467232963.db2.gz XNEDDWKNJQJZQV-UHFFFAOYSA-N 1 2 339.359 2.461 20 5 EEBDLO CC[C@H](C)[C@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449908113 467741483 /nfs/dbraw/zinc/74/14/83/467741483.db2.gz RWQRTUXJDZMVRA-YVEFUNNKSA-N 1 2 346.387 2.307 20 5 EEBDLO O=C(NC[C@@H]1CCCC[C@H]1O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449981160 467755827 /nfs/dbraw/zinc/75/58/27/467755827.db2.gz WXYOFSIRMASNOU-XJKSGUPXSA-N 1 2 344.371 2.061 20 5 EEBDLO C[C@H]1C[N@H+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000582832422 468602059 /nfs/dbraw/zinc/60/20/59/468602059.db2.gz VQIQYVJNWVGOJK-VIFPVBQESA-N 1 2 334.298 2.141 20 5 EEBDLO C[C@H]1C[N@@H+](CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000582832422 468602064 /nfs/dbraw/zinc/60/20/64/468602064.db2.gz VQIQYVJNWVGOJK-VIFPVBQESA-N 1 2 334.298 2.141 20 5 EEBDLO COC(=O)c1cnc(NCCc2[nH+]cc(C)cc2C)c([N+](=O)[O-])c1 ZINC000594597451 468630822 /nfs/dbraw/zinc/63/08/22/468630822.db2.gz UUDMGLOAIVBXLB-UHFFFAOYSA-N 1 2 330.344 2.443 20 5 EEBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1c[nH]nc1[N+](=O)[O-] ZINC000558753071 468713193 /nfs/dbraw/zinc/71/31/93/468713193.db2.gz RNICUGRYOLKZTB-UHFFFAOYSA-N 1 2 332.707 2.409 20 5 EEBDLO Cc1ccc(C[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000583912302 468772549 /nfs/dbraw/zinc/77/25/49/468772549.db2.gz YAKFKZKVSPVPQT-INIZCTEOSA-N 1 2 338.429 2.304 20 5 EEBDLO Cc1ccc(C[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1[N+](=O)[O-] ZINC000583912302 468772552 /nfs/dbraw/zinc/77/25/52/468772552.db2.gz YAKFKZKVSPVPQT-INIZCTEOSA-N 1 2 338.429 2.304 20 5 EEBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000593140762 468884782 /nfs/dbraw/zinc/88/47/82/468884782.db2.gz HWCRMGPBRRHOHI-OAHLLOKOSA-N 1 2 345.330 2.351 20 5 EEBDLO CCOc1cncc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000598676422 468957046 /nfs/dbraw/zinc/95/70/46/468957046.db2.gz RQDAGPLISLVTLN-UHFFFAOYSA-N 1 2 343.387 2.106 20 5 EEBDLO CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000610448897 468972381 /nfs/dbraw/zinc/97/23/81/468972381.db2.gz NKKSLIVNRMWLLN-HNNXBMFYSA-N 1 2 336.388 2.180 20 5 EEBDLO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000610448897 468972384 /nfs/dbraw/zinc/97/23/84/468972384.db2.gz NKKSLIVNRMWLLN-HNNXBMFYSA-N 1 2 336.388 2.180 20 5 EEBDLO CCN(CC)C(=O)C[N@@H+]1CCCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411654 469244300 /nfs/dbraw/zinc/24/43/00/469244300.db2.gz PVONADAZFARXOG-UHFFFAOYSA-N 1 2 340.449 2.037 20 5 EEBDLO CCN(CC)C(=O)C[N@H+]1CCCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411654 469244305 /nfs/dbraw/zinc/24/43/05/469244305.db2.gz PVONADAZFARXOG-UHFFFAOYSA-N 1 2 340.449 2.037 20 5 EEBDLO Cc1cc(N(C)Cc2cn(C)nn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596483787 469281161 /nfs/dbraw/zinc/28/11/61/469281161.db2.gz GQSYSGBBLSUTGL-UHFFFAOYSA-N 1 2 339.359 2.125 20 5 EEBDLO COC(=O)c1cc(C(=O)Nc2cc(N(C)C)cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000612345896 469442630 /nfs/dbraw/zinc/44/26/30/469442630.db2.gz NPAHMODPRUUCOH-UHFFFAOYSA-N 1 2 344.327 2.095 20 5 EEBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1O ZINC000613906739 469814292 /nfs/dbraw/zinc/81/42/92/469814292.db2.gz GKZVBQFSTPWRBN-UHFFFAOYSA-N 1 2 327.340 2.046 20 5 EEBDLO COc1cccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000618205648 469922283 /nfs/dbraw/zinc/92/22/83/469922283.db2.gz IJCXWBJHYLIVHJ-GFCCVEGCSA-N 1 2 330.344 2.277 20 5 EEBDLO O=C(Nc1ccc2nncn2c1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179625425 490691257 /nfs/dbraw/zinc/69/12/57/490691257.db2.gz VGSZOAYSJVSESF-UHFFFAOYSA-N 1 2 349.310 2.076 20 5 EEBDLO CCC1(O)CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000744410802 577897322 /nfs/dbraw/zinc/89/73/22/577897322.db2.gz TVDLJCCAMWJADX-UHFFFAOYSA-N 1 2 341.795 2.424 20 5 EEBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000745087255 577908607 /nfs/dbraw/zinc/90/86/07/577908607.db2.gz QDAGUBVEDSZUOI-HNNXBMFYSA-N 1 2 349.387 2.259 20 5 EEBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000745087255 577908608 /nfs/dbraw/zinc/90/86/08/577908608.db2.gz QDAGUBVEDSZUOI-HNNXBMFYSA-N 1 2 349.387 2.259 20 5 EEBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000895801892 684730581 /nfs/dbraw/zinc/73/05/81/684730581.db2.gz NFCHDKJBOPPRNH-LBPRGKRZSA-N 1 2 339.392 2.135 20 5 EEBDLO C[C@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000865580867 1198284591 /nfs/dbraw/zinc/28/45/91/1198284591.db2.gz GHAJUGAQBOGQPX-LRDDRELGSA-N 1 2 331.376 2.216 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000873810376 1198707913 /nfs/dbraw/zinc/70/79/13/1198707913.db2.gz NMSREWLPRCFLAK-UHFFFAOYSA-N 1 2 335.404 2.052 20 5 EEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000874699159 1198947113 /nfs/dbraw/zinc/94/71/13/1198947113.db2.gz PNHXVMOIJLIQDP-LBPRGKRZSA-N 1 2 341.795 2.089 20 5 EEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000874699159 1198947115 /nfs/dbraw/zinc/94/71/15/1198947115.db2.gz PNHXVMOIJLIQDP-LBPRGKRZSA-N 1 2 341.795 2.089 20 5 EEBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000814173285 1199326120 /nfs/dbraw/zinc/32/61/20/1199326120.db2.gz MFUKERDHRLVQNL-PJXYFTJBSA-N 1 2 342.298 2.047 20 5 EEBDLO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000814173285 1199326121 /nfs/dbraw/zinc/32/61/21/1199326121.db2.gz MFUKERDHRLVQNL-PJXYFTJBSA-N 1 2 342.298 2.047 20 5 EEBDLO CN(CCCNC(=O)CCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC001095532122 1205860316 /nfs/dbraw/zinc/86/03/16/1205860316.db2.gz IZDBUTMTUYCAHA-UHFFFAOYSA-N 1 2 349.366 2.032 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000930862183 1206588392 /nfs/dbraw/zinc/58/83/92/1206588392.db2.gz JNKVQYAZQGVNBU-CYBMUJFWSA-N 1 2 336.392 2.054 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000930862183 1206588393 /nfs/dbraw/zinc/58/83/93/1206588393.db2.gz JNKVQYAZQGVNBU-CYBMUJFWSA-N 1 2 336.392 2.054 20 5 EEBDLO Cc1cn(C[NH+](C2CC2)C2CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000863302308 1296208678 /nfs/dbraw/zinc/20/86/78/1296208678.db2.gz BOLCJKUUVKBQOA-UHFFFAOYSA-N 1 2 328.372 2.440 20 5 EEBDLO CC[C@@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794640949 1296482008 /nfs/dbraw/zinc/48/20/08/1296482008.db2.gz AVUXBNWBQHTWAM-DGCLKSJQSA-N 1 2 332.360 2.489 20 5 EEBDLO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794640949 1296482013 /nfs/dbraw/zinc/48/20/13/1296482013.db2.gz AVUXBNWBQHTWAM-DGCLKSJQSA-N 1 2 332.360 2.489 20 5 EEBDLO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CC2(F)F)c(F)cc1Br ZINC001218234973 1297609507 /nfs/dbraw/zinc/60/95/07/1297609507.db2.gz IQCRLQFGAUGJAD-VIFPVBQESA-N 1 2 341.083 2.482 20 5 EEBDLO Cc1nc(O[C@H]2C[NH2+]CC2(F)F)c([N+](=O)[O-])cc1Br ZINC001218236661 1297611815 /nfs/dbraw/zinc/61/18/15/1297611815.db2.gz JRNMZCONOYTOMM-QMMMGPOBSA-N 1 2 338.108 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[NH3+]Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])cc3cc[nH]c32)cc1 ZINC001161748462 1320609665 /nfs/dbraw/zinc/60/96/65/1320609665.db2.gz OYKRQWZWNXSNJA-UHFFFAOYSA-N 1 2 346.368 2.336 20 5 EEBDLO CC1(C)C[N@@H+](C2CN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CCO1 ZINC001165127505 1321460674 /nfs/dbraw/zinc/46/06/74/1321460674.db2.gz JMLDXCIEQYRHIK-UHFFFAOYSA-N 1 2 342.399 2.442 20 5 EEBDLO CC1(C)C[N@H+](C2CN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CCO1 ZINC001165127505 1321460675 /nfs/dbraw/zinc/46/06/75/1321460675.db2.gz JMLDXCIEQYRHIK-UHFFFAOYSA-N 1 2 342.399 2.442 20 5 EEBDLO O=C1N[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]2CO1 ZINC001307906725 1331553859 /nfs/dbraw/zinc/55/38/59/1331553859.db2.gz ZXCJVAXCWVZFQY-JOYOIKCWSA-N 1 2 325.752 2.179 20 5 EEBDLO O=C1N[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]2CO1 ZINC001307906725 1331553873 /nfs/dbraw/zinc/55/38/73/1331553873.db2.gz ZXCJVAXCWVZFQY-JOYOIKCWSA-N 1 2 325.752 2.179 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](C2CC[NH2+]CC2)C1 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CCN1CCN(c2cc(OC)ccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000338713338 285337919 /nfs/dbraw/zinc/33/79/19/285337919.db2.gz QYRBCORMPAYXSG-HNNXBMFYSA-N 1 2 331.376 2.210 20 5 EEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000120367480 142386871 /nfs/dbraw/zinc/38/68/71/142386871.db2.gz BLZCVDHDZGBNHN-HNNXBMFYSA-N 1 2 342.399 2.352 20 5 EEBDLO COC(=O)COc1ccc(CNc2c[nH+]ccc2C)cc1[N+](=O)[O-] ZINC000352307953 153049528 /nfs/dbraw/zinc/04/95/28/153049528.db2.gz AKDFISPIYZLWJL-UHFFFAOYSA-N 1 2 331.328 2.462 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089154904 159178022 /nfs/dbraw/zinc/17/80/22/159178022.db2.gz AACFROUVCPCTCS-DLBZAZTESA-N 1 2 336.388 2.373 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089154904 159178024 /nfs/dbraw/zinc/17/80/24/159178024.db2.gz AACFROUVCPCTCS-DLBZAZTESA-N 1 2 336.388 2.373 20 5 EEBDLO Cc1nn(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000098097660 159250096 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COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000118419394 462837708 /nfs/dbraw/zinc/83/77/08/462837708.db2.gz KPILCKPNQBYPPR-GHMZBOCLSA-N 1 2 339.417 2.368 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000118419394 462837714 /nfs/dbraw/zinc/83/77/14/462837714.db2.gz KPILCKPNQBYPPR-GHMZBOCLSA-N 1 2 339.417 2.368 20 5 EEBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(Cc3cscn3)CC2)cc1 ZINC000065952490 462842129 /nfs/dbraw/zinc/84/21/29/462842129.db2.gz ATXYOVLZIQMJGQ-UHFFFAOYSA-N 1 2 348.428 2.248 20 5 EEBDLO CCO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000076407802 462857018 /nfs/dbraw/zinc/85/70/18/462857018.db2.gz ILEVBEBMGOEXNC-CYBMUJFWSA-N 1 2 337.376 2.043 20 5 EEBDLO CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000076407802 462857024 /nfs/dbraw/zinc/85/70/24/462857024.db2.gz ILEVBEBMGOEXNC-CYBMUJFWSA-N 1 2 337.376 2.043 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000119996359 462950145 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20 5 EEBDLO COCCN(CCOC)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126916974 463670689 /nfs/dbraw/zinc/67/06/89/463670689.db2.gz FMCGGRGGDHMYHH-UHFFFAOYSA-N 1 2 346.387 2.459 20 5 EEBDLO CCc1[nH]nc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000170685813 463695110 /nfs/dbraw/zinc/69/51/10/463695110.db2.gz LJTAQDCGXFQHIM-UHFFFAOYSA-N 1 2 344.306 2.457 20 5 EEBDLO Cc1cc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000112298762 463697262 /nfs/dbraw/zinc/69/72/62/463697262.db2.gz STLVAJXXWDCLQC-NSHDSACASA-N 1 2 328.328 2.055 20 5 EEBDLO COc1cc[nH+]cc1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000292369718 464210693 /nfs/dbraw/zinc/21/06/93/464210693.db2.gz AOHGHUVQZDFTIS-UHFFFAOYSA-N 1 2 330.344 2.040 20 5 EEBDLO C[C@@H](C[NH+]1CCCCC1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271357348 464294397 /nfs/dbraw/zinc/29/43/97/464294397.db2.gz YAKBOVHECWXCLQ-JTQLQIEISA-N 1 2 347.462 2.346 20 5 EEBDLO C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188678728 464340833 /nfs/dbraw/zinc/34/08/33/464340833.db2.gz VYLOQGPUTDVTEP-CXAGYDPISA-N 1 2 347.415 2.415 20 5 EEBDLO C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000188678728 464340838 /nfs/dbraw/zinc/34/08/38/464340838.db2.gz VYLOQGPUTDVTEP-CXAGYDPISA-N 1 2 347.415 2.415 20 5 EEBDLO COC[C@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000189456594 464510120 /nfs/dbraw/zinc/51/01/20/464510120.db2.gz CKYVYXCTPIGEGA-MLGOLLRUSA-N 1 2 347.371 2.486 20 5 EEBDLO COC[C@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H](C)O1 ZINC000189456594 464510125 /nfs/dbraw/zinc/51/01/25/464510125.db2.gz CKYVYXCTPIGEGA-MLGOLLRUSA-N 1 2 347.371 2.486 20 5 EEBDLO Cn1cc([C@@H]2CSCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000191205107 464798205 /nfs/dbraw/zinc/79/82/05/464798205.db2.gz RBCBDANRBSJQBY-HNNXBMFYSA-N 1 2 348.428 2.497 20 5 EEBDLO Cn1cc([C@@H]2CSCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000191205107 464798209 /nfs/dbraw/zinc/79/82/09/464798209.db2.gz RBCBDANRBSJQBY-HNNXBMFYSA-N 1 2 348.428 2.497 20 5 EEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(C)(O)CC1 ZINC000177310409 464983418 /nfs/dbraw/zinc/98/34/18/464983418.db2.gz IMTOZNDHMKHLIW-JTQLQIEISA-N 1 2 341.795 2.422 20 5 EEBDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000184592399 465003428 /nfs/dbraw/zinc/00/34/28/465003428.db2.gz VQDMQGJIURSJSO-SMDDNHRTSA-N 1 2 333.344 2.492 20 5 EEBDLO COCCOC1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000339678065 465436572 /nfs/dbraw/zinc/43/65/72/465436572.db2.gz PXULWZZXZDUEHR-UHFFFAOYSA-N 1 2 344.371 2.212 20 5 EEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](CO)C1 ZINC000298647899 465459391 /nfs/dbraw/zinc/45/93/91/465459391.db2.gz WBCPDPPVNHFYJU-GHMZBOCLSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CO)C1 ZINC000298647899 465459399 /nfs/dbraw/zinc/45/93/99/465459399.db2.gz WBCPDPPVNHFYJU-GHMZBOCLSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000361009066 465699264 /nfs/dbraw/zinc/69/92/64/465699264.db2.gz IVPJEADWMGPXQA-SNVBAGLBSA-N 1 2 331.319 2.329 20 5 EEBDLO C[C@@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000361009066 465699267 /nfs/dbraw/zinc/69/92/67/465699267.db2.gz IVPJEADWMGPXQA-SNVBAGLBSA-N 1 2 331.319 2.329 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccsc1 ZINC000299364252 465718203 /nfs/dbraw/zinc/71/82/03/465718203.db2.gz QZOKNVBCXBABOC-ZDUSSCGKSA-N 1 2 335.385 2.395 20 5 EEBDLO CNc1c(C(=O)N2CCC(n3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000361161923 465808140 /nfs/dbraw/zinc/80/81/40/465808140.db2.gz PCBWCRIBUPZGCN-UHFFFAOYSA-N 1 2 329.360 2.310 20 5 EEBDLO Cc1nccnc1N1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000367214434 466196699 /nfs/dbraw/zinc/19/66/99/466196699.db2.gz UFSLCPRMLQGBKB-UHFFFAOYSA-N 1 2 331.351 2.155 20 5 EEBDLO CN(Cc1cn2c([nH+]1)CCCC2)c1nc2sccn2c1[N+](=O)[O-] ZINC000372988424 466655399 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ZINC000373075404 466683412 /nfs/dbraw/zinc/68/34/12/466683412.db2.gz VWLMQDQBSXLIPL-LLVKDONJSA-N 1 2 346.391 2.024 20 5 EEBDLO CCCc1[nH]nc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000373075404 466683418 /nfs/dbraw/zinc/68/34/18/466683418.db2.gz VWLMQDQBSXLIPL-LLVKDONJSA-N 1 2 346.391 2.024 20 5 EEBDLO Cc1cc(OCC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000373821139 466931435 /nfs/dbraw/zinc/93/14/35/466931435.db2.gz APILJCUBLOSYNW-CQSZACIVSA-N 1 2 330.344 2.369 20 5 EEBDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000413066180 467164563 /nfs/dbraw/zinc/16/45/63/467164563.db2.gz HIUKEKNPXGADTC-OCCSQVGLSA-N 1 2 343.387 2.204 20 5 EEBDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000413066180 467164565 /nfs/dbraw/zinc/16/45/65/467164565.db2.gz HIUKEKNPXGADTC-OCCSQVGLSA-N 1 2 343.387 2.204 20 5 EEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428345591 467223696 /nfs/dbraw/zinc/22/36/96/467223696.db2.gz JIYXPMYQTTXULM-LLVKDONJSA-N 1 2 334.763 2.118 20 5 EEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000428368112 467225322 /nfs/dbraw/zinc/22/53/22/467225322.db2.gz XIJAPQULCGSMGZ-JTQLQIEISA-N 1 2 325.328 2.017 20 5 EEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000451938879 467289672 /nfs/dbraw/zinc/28/96/72/467289672.db2.gz YBTKWCDZHOABEJ-LLVKDONJSA-N 1 2 347.462 2.070 20 5 EEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000451938879 467289676 /nfs/dbraw/zinc/28/96/76/467289676.db2.gz YBTKWCDZHOABEJ-LLVKDONJSA-N 1 2 347.462 2.070 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2cscn2)CC1 ZINC000430212246 467408953 /nfs/dbraw/zinc/40/89/53/467408953.db2.gz ZVQNKJQWZYJBDJ-UHFFFAOYSA-N 1 2 348.428 2.378 20 5 EEBDLO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000408066747 467504280 /nfs/dbraw/zinc/50/42/80/467504280.db2.gz BXTLIZZNZNLHCK-IUCAKERBSA-N 1 2 329.198 2.281 20 5 EEBDLO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1Br ZINC000408066747 467504278 /nfs/dbraw/zinc/50/42/78/467504278.db2.gz BXTLIZZNZNLHCK-IUCAKERBSA-N 1 2 329.198 2.281 20 5 EEBDLO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436671664 467549756 /nfs/dbraw/zinc/54/97/56/467549756.db2.gz BDARYLYVCOQSGK-STQMWFEESA-N 1 2 335.404 2.398 20 5 EEBDLO Cc1ccc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000449529419 467657520 /nfs/dbraw/zinc/65/75/20/467657520.db2.gz WZUVNHHXIKRRGW-CQSZACIVSA-N 1 2 326.418 2.302 20 5 EEBDLO Cc1ccc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000449529419 467657521 /nfs/dbraw/zinc/65/75/21/467657521.db2.gz WZUVNHHXIKRRGW-CQSZACIVSA-N 1 2 326.418 2.302 20 5 EEBDLO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450274336 467814680 /nfs/dbraw/zinc/81/46/80/467814680.db2.gz AYFMWYVQCFWZAQ-CQSZACIVSA-N 1 2 344.371 2.422 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CCCC[C@@H]1O ZINC000450818417 467913691 /nfs/dbraw/zinc/91/36/91/467913691.db2.gz ATYBHCJZSKGHIK-QAPCUYQASA-N 1 2 349.431 2.390 20 5 EEBDLO C[C@@H]1C[C@@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450833339 467916148 /nfs/dbraw/zinc/91/61/48/467916148.db2.gz SOYHGIKSOGBDTC-MWLCHTKSSA-N 1 2 336.373 2.313 20 5 EEBDLO Cc1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C)c[nH+]1 ZINC000532620305 468127187 /nfs/dbraw/zinc/12/71/87/468127187.db2.gz IQXPWIJEWMPTRJ-UHFFFAOYSA-N 1 2 335.385 2.446 20 5 EEBDLO Cn1ncc2c1nc(C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])[nH]c2=O ZINC000590019603 468206501 /nfs/dbraw/zinc/20/65/01/468206501.db2.gz XQPMTUPRZWWJSN-UHFFFAOYSA-N 1 2 342.359 2.002 20 5 EEBDLO CC(C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1[N+](=O)[O-] ZINC000597687614 468638463 /nfs/dbraw/zinc/63/84/63/468638463.db2.gz GEZQOAPLYLYMKN-LBPRGKRZSA-N 1 2 328.372 2.405 20 5 EEBDLO COC(=O)c1ccc(-c2ccc(N[C@@H](C)CO)[nH+]c2)c([N+](=O)[O-])c1 ZINC000600782984 468656272 /nfs/dbraw/zinc/65/62/72/468656272.db2.gz AXXFZMOYPKKTGR-JTQLQIEISA-N 1 2 331.328 2.236 20 5 EEBDLO CC(C)Cn1nccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000592515047 468717873 /nfs/dbraw/zinc/71/78/73/468717873.db2.gz LGEHCQLHYQQBRJ-UHFFFAOYSA-N 1 2 344.419 2.165 20 5 EEBDLO COC(C)(C)CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000583674422 468737657 /nfs/dbraw/zinc/73/76/57/468737657.db2.gz SNBZIFCRZUVPKP-UHFFFAOYSA-N 1 2 332.360 2.278 20 5 EEBDLO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1ncnn1C ZINC000602640830 468982068 /nfs/dbraw/zinc/98/20/68/468982068.db2.gz DRTMQMFKUSUJDN-ZCFIWIBFSA-N 1 2 346.210 2.398 20 5 EEBDLO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1F ZINC000602820059 469097117 /nfs/dbraw/zinc/09/71/17/469097117.db2.gz WURFFYGYPFJXFV-UHFFFAOYSA-N 1 2 332.335 2.450 20 5 EEBDLO COc1cccc2c1C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000599645517 469321991 /nfs/dbraw/zinc/32/19/91/469321991.db2.gz PAQNOTITEWMNJD-CQSZACIVSA-N 1 2 344.367 2.359 20 5 EEBDLO COc1cccc2c1C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000599645517 469321996 /nfs/dbraw/zinc/32/19/96/469321996.db2.gz PAQNOTITEWMNJD-CQSZACIVSA-N 1 2 344.367 2.359 20 5 EEBDLO CN(CC[NH+]1CCOCC1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602459877 469325148 /nfs/dbraw/zinc/32/51/48/469325148.db2.gz VRWIADLHKBKMTE-UHFFFAOYSA-N 1 2 347.337 2.378 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000604480551 469482269 /nfs/dbraw/zinc/48/22/69/469482269.db2.gz UPSICJOREGQCEH-UHFFFAOYSA-N 1 2 344.371 2.018 20 5 EEBDLO Cn1c(C(=O)N2CC[NH2+][C@@H](c3ccccc3Cl)C2)ccc1[N+](=O)[O-] ZINC000619778347 469680990 /nfs/dbraw/zinc/68/09/90/469680990.db2.gz ULWYPCIXIFYMKI-CYBMUJFWSA-N 1 2 348.790 2.373 20 5 EEBDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000411077424 529139544 /nfs/dbraw/zinc/13/95/44/529139544.db2.gz UCALJGVHCLVULY-UHFFFAOYSA-N 1 2 348.447 2.049 20 5 EEBDLO CO[C@@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H]1OC ZINC000488566508 536729840 /nfs/dbraw/zinc/72/98/40/536729840.db2.gz YLXOUVNRCJAYSV-CHWSQXEVSA-N 1 2 332.303 2.042 20 5 EEBDLO Cc1nc([N+](=O)[O-])c(-c2noc(-c3[nH+]c(C)n4ccccc34)n2)n1C ZINC000771465514 577213944 /nfs/dbraw/zinc/21/39/44/577213944.db2.gz XAWVLOKXOOQTPT-UHFFFAOYSA-N 1 2 339.315 2.310 20 5 EEBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000772352216 577266470 /nfs/dbraw/zinc/26/64/70/577266470.db2.gz XSECIZAOJWAATG-CQSZACIVSA-N 1 2 332.360 2.342 20 5 EEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000777553868 577481346 /nfs/dbraw/zinc/48/13/46/577481346.db2.gz UUAJLRWUUYCURP-AWEZNQCLSA-N 1 2 347.371 2.351 20 5 EEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000777553868 577481347 /nfs/dbraw/zinc/48/13/47/577481347.db2.gz UUAJLRWUUYCURP-AWEZNQCLSA-N 1 2 347.371 2.351 20 5 EEBDLO O=C(OC[C@@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000766300337 577516862 /nfs/dbraw/zinc/51/68/62/577516862.db2.gz HMDQDQYXERNFDZ-GFCCVEGCSA-N 1 2 331.328 2.364 20 5 EEBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc([N+](=O)[O-])ccc1F ZINC000753302151 577784741 /nfs/dbraw/zinc/78/47/41/577784741.db2.gz OLLPAFWBATXBAN-NSHDSACASA-N 1 2 330.319 2.138 20 5 EEBDLO C[C@H]([NH2+]Cc1nc(Br)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000894193879 681204403 /nfs/dbraw/zinc/20/44/03/681204403.db2.gz VIVDCACHHVXGNI-QMMMGPOBSA-N 1 2 340.181 2.337 20 5 EEBDLO CCc1nn(C)c(N2CCC(Nc3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000895353017 684534019 /nfs/dbraw/zinc/53/40/19/684534019.db2.gz QPTLWUXZCXAXSJ-UHFFFAOYSA-N 1 2 330.392 2.367 20 5 EEBDLO C[C@H](c1nnc(SCC[N+](=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC000899860018 693900326 /nfs/dbraw/zinc/90/03/26/693900326.db2.gz GLOWFZYYMXHIKM-SNVBAGLBSA-N 1 2 339.396 2.398 20 5 EEBDLO CC[C@H]1COCC[N@@H+]1CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000872770855 1198376501 /nfs/dbraw/zinc/37/65/01/1198376501.db2.gz ARNZHJVRAFCPNT-NSHDSACASA-N 1 2 327.356 2.265 20 5 EEBDLO CC[C@H]1COCC[N@H+]1CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000872770855 1198376509 /nfs/dbraw/zinc/37/65/09/1198376509.db2.gz ARNZHJVRAFCPNT-NSHDSACASA-N 1 2 327.356 2.265 20 5 EEBDLO CCOCC[NH+]1CCN(C(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000874452747 1198897254 /nfs/dbraw/zinc/89/72/54/1198897254.db2.gz GTOXTZFZHJJMLU-UHFFFAOYSA-N 1 2 335.404 2.006 20 5 EEBDLO COc1cccc([C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC000870149280 1200512221 /nfs/dbraw/zinc/51/22/21/1200512221.db2.gz HHEWLOXKMBNOBA-CQSZACIVSA-N 1 2 347.396 2.452 20 5 EEBDLO COc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000932440001 1207606699 /nfs/dbraw/zinc/60/66/99/1207606699.db2.gz PYAAFAXIAWIMHK-CYBMUJFWSA-N 1 2 335.404 2.483 20 5 EEBDLO COc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000932440001 1207606700 /nfs/dbraw/zinc/60/67/00/1207606700.db2.gz PYAAFAXIAWIMHK-CYBMUJFWSA-N 1 2 335.404 2.483 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccc(F)c1 ZINC001039583167 1230702693 /nfs/dbraw/zinc/70/26/93/1230702693.db2.gz FPBBQFCWIFDHQZ-YYIAUSFCSA-N 1 2 347.390 2.056 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1 ZINC001039583167 1230702696 /nfs/dbraw/zinc/70/26/96/1230702696.db2.gz FPBBQFCWIFDHQZ-YYIAUSFCSA-N 1 2 347.390 2.056 20 5 EEBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@@H+]2CCC[C@@H]2C2OCCO2)c1 ZINC000902624434 1238070639 /nfs/dbraw/zinc/07/06/39/1238070639.db2.gz JWPPBMVUUPIMOY-MRXNPFEDSA-N 1 2 344.371 2.253 20 5 EEBDLO O=[N+]([O-])c1ccccc1-c1cnn(C[N@H+]2CCC[C@@H]2C2OCCO2)c1 ZINC000902624434 1238070643 /nfs/dbraw/zinc/07/06/43/1238070643.db2.gz JWPPBMVUUPIMOY-MRXNPFEDSA-N 1 2 344.371 2.253 20 5 EEBDLO CCCN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ccccc1[N+](=O)[O-] ZINC001101256904 1245580902 /nfs/dbraw/zinc/58/09/02/1245580902.db2.gz WVRWHLDNOPROEZ-UHFFFAOYSA-N 1 2 345.403 2.283 20 5 EEBDLO CCCN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ccccc1[N+](=O)[O-] ZINC001101256904 1245580906 /nfs/dbraw/zinc/58/09/06/1245580906.db2.gz WVRWHLDNOPROEZ-UHFFFAOYSA-N 1 2 345.403 2.283 20 5 EEBDLO Cc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc(C)n1 ZINC000851714507 1277726910 /nfs/dbraw/zinc/72/69/10/1277726910.db2.gz RWAPTASQWRPSFS-UHFFFAOYSA-N 1 2 327.388 2.324 20 5 EEBDLO COC(=O)C1([N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000852176781 1292027881 /nfs/dbraw/zinc/02/78/81/1292027881.db2.gz HVTYUXFQRMUEIO-OAHLLOKOSA-N 1 2 334.372 2.188 20 5 EEBDLO COC(=O)C1([N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)CCC1 ZINC000852176781 1292027894 /nfs/dbraw/zinc/02/78/94/1292027894.db2.gz HVTYUXFQRMUEIO-OAHLLOKOSA-N 1 2 334.372 2.188 20 5 EEBDLO Cc1c(Br)c(O[C@H]2C[NH2+]CC2(F)F)ncc1[N+](=O)[O-] ZINC001218241526 1297613236 /nfs/dbraw/zinc/61/32/36/1297613236.db2.gz YXCBTQICUSUUMB-ZETCQYMHSA-N 1 2 338.108 2.047 20 5 EEBDLO COc1cc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)ncc1[N+](=O)[O-] ZINC001158625900 1319343642 /nfs/dbraw/zinc/34/36/42/1319343642.db2.gz VQAWGGJWVRGFBK-ZDUSSCGKSA-N 1 2 342.346 2.308 20 5 EEBDLO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[NH2+]CC(F)(F)C2)nn1 ZINC001164498351 1321397969 /nfs/dbraw/zinc/39/79/69/1321397969.db2.gz UHYLVFOVROSGTD-UHFFFAOYSA-N 1 2 335.314 2.097 20 5 EEBDLO Cc1cc([N+](=O)[O-])cnc1N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001165545310 1321543610 /nfs/dbraw/zinc/54/36/10/1321543610.db2.gz AIIXACIIJRLGDO-UHFFFAOYSA-N 1 2 340.343 2.094 20 5 EEBDLO CC[N@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001332167954 1335750753 /nfs/dbraw/zinc/75/07/53/1335750753.db2.gz VPYGEYKPVNQQRD-GFCCVEGCSA-N 1 2 339.396 2.080 20 5 EEBDLO CC[N@@H+](Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001332167954 1335750755 /nfs/dbraw/zinc/75/07/55/1335750755.db2.gz VPYGEYKPVNQQRD-GFCCVEGCSA-N 1 2 339.396 2.080 20 5 EEBDLO CCOC(=O)C1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc2C1 ZINC001168978835 1367726225 /nfs/dbraw/zinc/72/62/25/1367726225.db2.gz UQQMXKPPHSBEHI-BBRMVZONSA-N 1 2 332.400 2.122 20 5 EEBDLO CN(CCCNc1ccc([N+](=O)[O-])cc1F)C(=O)CCn1cc[nH+]c1 ZINC001109580327 805710624 /nfs/dbraw/zinc/71/06/24/805710624.db2.gz QTTDIZMCLSKZQT-UHFFFAOYSA-N 1 2 349.366 2.281 20 5 EEBDLO O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000844888739 789432694 /nfs/dbraw/zinc/43/26/94/789432694.db2.gz IALHOKJGGBHTQB-HUUCEWRRSA-N 1 2 335.429 2.478 20 5 EEBDLO Cn1c[nH+]cc1CCC(=O)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094525577 796358835 /nfs/dbraw/zinc/35/88/35/796358835.db2.gz SEOJRQYHTBVVKI-UHFFFAOYSA-N 1 2 349.366 2.018 20 5 EEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000789501334 808029501 /nfs/dbraw/zinc/02/95/01/808029501.db2.gz DSSJRXLFKHQCAA-YPMHNXCESA-N 1 2 333.344 2.104 20 5 EEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000789501334 808029508 /nfs/dbraw/zinc/02/95/08/808029508.db2.gz DSSJRXLFKHQCAA-YPMHNXCESA-N 1 2 333.344 2.104 20 5 EEBDLO COC(=O)[C@]1(F)CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170329043 809893086 /nfs/dbraw/zinc/89/30/86/809893086.db2.gz NLNAVBKAHOYHJB-BZNIZROVSA-N 1 2 340.351 2.121 20 5 EEBDLO COC(=O)[C@]1(F)CC[N@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170329043 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C[C@@H]1[C@H](CO)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000412098160 467007234 /nfs/dbraw/zinc/00/72/34/467007234.db2.gz VLENUQUJNRADRE-MNOVXSKESA-N 1 2 341.795 2.280 20 5 EEBDLO CCC(=O)N1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000425523750 467105453 /nfs/dbraw/zinc/10/54/53/467105453.db2.gz ZWBSUAZMTNIXPI-UHFFFAOYSA-N 1 2 344.371 2.304 20 5 EEBDLO CCC(=O)N1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000425523750 467105457 /nfs/dbraw/zinc/10/54/57/467105457.db2.gz ZWBSUAZMTNIXPI-UHFFFAOYSA-N 1 2 344.371 2.304 20 5 EEBDLO C[C@@H]1C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)O1 ZINC000412655518 467107639 /nfs/dbraw/zinc/10/76/39/467107639.db2.gz OPNOSAYRQNNJNM-BZPMIXESSA-N 1 2 344.371 2.324 20 5 EEBDLO Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000451949143 467291621 /nfs/dbraw/zinc/29/16/21/467291621.db2.gz XAYQICAWSZQTSN-QWRGUYRKSA-N 1 2 336.373 2.084 20 5 EEBDLO 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ZINC000276158365 464829007 /nfs/dbraw/zinc/82/90/07/464829007.db2.gz HJAFSTZWDKHEGT-UHFFFAOYSA-N 1 2 346.811 2.360 20 5 EEBDLO COCCOCCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000276158365 464829013 /nfs/dbraw/zinc/82/90/13/464829013.db2.gz HJAFSTZWDKHEGT-UHFFFAOYSA-N 1 2 346.811 2.360 20 5 EEBDLO Cc1c(CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000359553227 465450860 /nfs/dbraw/zinc/45/08/60/465450860.db2.gz RKFZQWKTBLZQDB-AWEZNQCLSA-N 1 2 343.387 2.336 20 5 EEBDLO CC1CCN(c2ccc(CNc3ncc([N+](=O)[O-])c(N)n3)c[nH+]2)CC1 ZINC000298713482 465480310 /nfs/dbraw/zinc/48/03/10/465480310.db2.gz LTKCYVJJJLYIED-UHFFFAOYSA-N 1 2 343.391 2.210 20 5 EEBDLO CCNC(=O)[C@H](C)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299389106 465730152 /nfs/dbraw/zinc/73/01/52/465730152.db2.gz FRBPALYJKPCDKD-NSHDSACASA-N 1 2 329.360 2.297 20 5 EEBDLO Cc1c(CNC(=O)C2CC[NH+](CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000357153625 465816829 /nfs/dbraw/zinc/81/68/29/465816829.db2.gz CASWMCVRBLCGLW-UHFFFAOYSA-N 1 2 341.358 2.497 20 5 EEBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371526278 465857337 /nfs/dbraw/zinc/85/73/37/465857337.db2.gz DGYQSHLFONBFEE-SNVBAGLBSA-N 1 2 330.300 2.024 20 5 EEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccon3)CC2)c2ncccc12 ZINC000301445046 465964468 /nfs/dbraw/zinc/96/44/68/465964468.db2.gz JRUIQNJAFMBFHY-UHFFFAOYSA-N 1 2 339.355 2.453 20 5 EEBDLO Cc1cc(NCCn2ccnn2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000302139329 466103567 /nfs/dbraw/zinc/10/35/67/466103567.db2.gz DYHSFNHWBXWUJG-UHFFFAOYSA-N 1 2 325.332 2.064 20 5 EEBDLO CCN(C)C(=O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302497463 466147165 /nfs/dbraw/zinc/14/71/65/466147165.db2.gz USZPVQALJAGEGN-UHFFFAOYSA-N 1 2 329.360 2.250 20 5 EEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(F)c1 ZINC000340578058 466182887 /nfs/dbraw/zinc/18/28/87/466182887.db2.gz JIUCPPNVZWNCMQ-AWEZNQCLSA-N 1 2 343.318 2.315 20 5 EEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000597203067 468478988 /nfs/dbraw/zinc/47/89/88/468478988.db2.gz MDRFUAUIFHFTMD-RXBGNRNISA-N 1 2 331.416 2.405 20 5 EEBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000353892870 466237983 /nfs/dbraw/zinc/23/79/83/466237983.db2.gz HFBJCUYOTNESGZ-ZDUSSCGKSA-N 1 2 349.387 2.094 20 5 EEBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000353892870 466237990 /nfs/dbraw/zinc/23/79/90/466237990.db2.gz HFBJCUYOTNESGZ-ZDUSSCGKSA-N 1 2 349.387 2.094 20 5 EEBDLO CC(C)c1n[nH]c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000331773244 466241024 /nfs/dbraw/zinc/24/10/24/466241024.db2.gz GAZGXGSUACTACD-RYUDHWBXSA-N 1 2 346.391 2.361 20 5 EEBDLO CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000331773244 466241025 /nfs/dbraw/zinc/24/10/25/466241025.db2.gz GAZGXGSUACTACD-RYUDHWBXSA-N 1 2 346.391 2.361 20 5 EEBDLO Cc1[nH]c2ccc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cc2[nH+]1 ZINC000338638755 466280531 /nfs/dbraw/zinc/28/05/31/466280531.db2.gz IKFAOSXOAXWCTK-UHFFFAOYSA-N 1 2 328.332 2.350 20 5 EEBDLO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412066932 466992943 /nfs/dbraw/zinc/99/29/43/466992943.db2.gz DKUJANJHVFZFKY-QWRGUYRKSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@H]1[C@H](CO)CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412066932 466992946 /nfs/dbraw/zinc/99/29/46/466992946.db2.gz DKUJANJHVFZFKY-QWRGUYRKSA-N 1 2 341.795 2.280 20 5 EEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428010867 467193277 /nfs/dbraw/zinc/19/32/77/467193277.db2.gz YCOFIBJDWHHBTH-LSDHHAIUSA-N 1 2 342.399 2.491 20 5 EEBDLO CSc1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000428354250 467224585 /nfs/dbraw/zinc/22/45/85/467224585.db2.gz YMTHMDFOHCQMQV-LLVKDONJSA-N 1 2 332.385 2.258 20 5 EEBDLO CCn1nccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429713504 467361117 /nfs/dbraw/zinc/36/11/17/467361117.db2.gz DIWQQGMIXKYNTJ-LBPRGKRZSA-N 1 2 331.376 2.270 20 5 EEBDLO CCn1nccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429713504 467361119 /nfs/dbraw/zinc/36/11/19/467361119.db2.gz DIWQQGMIXKYNTJ-LBPRGKRZSA-N 1 2 331.376 2.270 20 5 EEBDLO COc1c(C)c[nH+]c(CN(C)c2c(C(N)=O)cccc2[N+](=O)[O-])c1C ZINC000420584204 467428709 /nfs/dbraw/zinc/42/87/09/467428709.db2.gz MBRFGEIOLDGQMR-UHFFFAOYSA-N 1 2 344.371 2.351 20 5 EEBDLO Cc1ccc[nH+]c1CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000405096728 467479916 /nfs/dbraw/zinc/47/99/16/467479916.db2.gz SLTXBSAVOPXDKQ-UHFFFAOYSA-N 1 2 335.385 2.356 20 5 EEBDLO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1O)Cc1ccccc1 ZINC000436674318 467549967 /nfs/dbraw/zinc/54/99/67/467549967.db2.gz VEYNHHLBUDZLLF-UHFFFAOYSA-N 1 2 329.356 2.162 20 5 EEBDLO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1O)Cc1ccccc1 ZINC000436674318 467549968 /nfs/dbraw/zinc/54/99/68/467549968.db2.gz VEYNHHLBUDZLLF-UHFFFAOYSA-N 1 2 329.356 2.162 20 5 EEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000454309675 467583310 /nfs/dbraw/zinc/58/33/10/467583310.db2.gz WCBUBRUUSXXGQR-LLVKDONJSA-N 1 2 347.375 2.380 20 5 EEBDLO C[C@@H]1COCC[N@@H+]1CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450311845 467823390 /nfs/dbraw/zinc/82/33/90/467823390.db2.gz FQGFBGNNKASJER-GFCCVEGCSA-N 1 2 348.428 2.851 20 5 EEBDLO C[C@@H]1COCC[N@H+]1CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450311845 467823392 /nfs/dbraw/zinc/82/33/92/467823392.db2.gz FQGFBGNNKASJER-GFCCVEGCSA-N 1 2 348.428 2.851 20 5 EEBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCCOC1 ZINC000450498993 467859960 /nfs/dbraw/zinc/85/99/60/467859960.db2.gz INBBSNNUNDWQMO-GXTWGEPZSA-N 1 2 344.371 2.325 20 5 EEBDLO C[C@@H](CC(C)(C)O)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450697097 467893358 /nfs/dbraw/zinc/89/33/58/467893358.db2.gz WBWGQVYGCHAZAY-ZDUSSCGKSA-N 1 2 337.420 2.388 20 5 EEBDLO C[C@H]1C[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000516542512 468032603 /nfs/dbraw/zinc/03/26/03/468032603.db2.gz WLXASLSOMJVSQG-SMDDNHRTSA-N 1 2 345.359 2.175 20 5 EEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000598001311 468736804 /nfs/dbraw/zinc/73/68/04/468736804.db2.gz ZAIVNDQBSJUECJ-GHMZBOCLSA-N 1 2 341.795 2.087 20 5 EEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000598001311 468736807 /nfs/dbraw/zinc/73/68/07/468736807.db2.gz ZAIVNDQBSJUECJ-GHMZBOCLSA-N 1 2 341.795 2.087 20 5 EEBDLO C[C@@H]1SCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000592733184 468771849 /nfs/dbraw/zinc/77/18/49/468771849.db2.gz DOMXCXUHQXMPDO-JQWIXIFHSA-N 1 2 332.385 2.404 20 5 EEBDLO Cc1noc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1[N+](=O)[O-] ZINC000595289037 468801435 /nfs/dbraw/zinc/80/14/35/468801435.db2.gz CHDJYINVFVQSLI-UHFFFAOYSA-N 1 2 336.392 2.116 20 5 EEBDLO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc4n(n3)CCC4)CC2)c1 ZINC000592999042 468835209 /nfs/dbraw/zinc/83/52/09/468835209.db2.gz JYNDFFOMDNHVGU-UHFFFAOYSA-N 1 2 327.388 2.060 20 5 EEBDLO Cc1noc(C[NH2+][C@H](CC(=O)N(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000595413394 468843643 /nfs/dbraw/zinc/84/36/43/468843643.db2.gz AKXWFAPADDOGPD-CYBMUJFWSA-N 1 2 332.360 2.200 20 5 EEBDLO CNc1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000572656368 468965197 /nfs/dbraw/zinc/96/51/97/468965197.db2.gz APEICNQRUQZGNC-AWEZNQCLSA-N 1 2 345.359 2.222 20 5 EEBDLO CNc1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000572656368 468965201 /nfs/dbraw/zinc/96/52/01/468965201.db2.gz APEICNQRUQZGNC-AWEZNQCLSA-N 1 2 345.359 2.222 20 5 EEBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000598950837 469063934 /nfs/dbraw/zinc/06/39/34/469063934.db2.gz UHAXEGMFSHJCPG-VBNZEHGJSA-N 1 2 326.356 2.026 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000602789326 469075599 /nfs/dbraw/zinc/07/55/99/469075599.db2.gz WHVXMVOSXIBKLQ-KRWDZBQOSA-N 1 2 330.388 2.347 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000602789326 469075604 /nfs/dbraw/zinc/07/56/04/469075604.db2.gz WHVXMVOSXIBKLQ-KRWDZBQOSA-N 1 2 330.388 2.347 20 5 EEBDLO O=C(N[C@@H]1C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000601889905 469078799 /nfs/dbraw/zinc/07/87/99/469078799.db2.gz ZBCGGSOIVWGSEA-NXEZZACHSA-N 1 2 340.261 2.461 20 5 EEBDLO Cc1cc(N[C@H]2CCC[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000604508382 469485238 /nfs/dbraw/zinc/48/52/38/469485238.db2.gz NQKIIPUGFMINQV-DZGCQCFKSA-N 1 2 328.372 2.498 20 5 EEBDLO CCOc1cc(N2CC[NH+](Cc3cn[nH]c3)CC2)ccc1[N+](=O)[O-] ZINC000619432762 469604000 /nfs/dbraw/zinc/60/40/00/469604000.db2.gz ODQYOELBGJCIMC-UHFFFAOYSA-N 1 2 331.376 2.039 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000617282557 469637351 /nfs/dbraw/zinc/63/73/51/469637351.db2.gz IVUWYLRJLDKBSG-UHFFFAOYSA-N 1 2 341.367 2.349 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609258438 469907102 /nfs/dbraw/zinc/90/71/02/469907102.db2.gz VUCZFEGAKSWCMW-OAHLLOKOSA-N 1 2 343.387 2.375 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609258438 469907105 /nfs/dbraw/zinc/90/71/05/469907105.db2.gz VUCZFEGAKSWCMW-OAHLLOKOSA-N 1 2 343.387 2.375 20 5 EEBDLO CCCCNC(=O)CN1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000610367313 470007731 /nfs/dbraw/zinc/00/77/31/470007731.db2.gz ZNXPFKDJCJLAGO-HNNXBMFYSA-N 1 2 348.447 2.190 20 5 EEBDLO Cc1c(N[NH2+]C=C2C(=O)NC(=O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000728015034 576467209 /nfs/dbraw/zinc/46/72/09/576467209.db2.gz KUBRBOWLCZVYQG-UKTHLTGXSA-N 1 2 338.323 2.131 20 5 EEBDLO COCC1(C)CC[NH+](Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000773268266 577328562 /nfs/dbraw/zinc/32/85/62/577328562.db2.gz KZKZWVQWWWNMTF-UHFFFAOYSA-N 1 2 347.213 2.260 20 5 EEBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000770101119 577590430 /nfs/dbraw/zinc/59/04/30/577590430.db2.gz BVABDUCTVBHGFB-JOCHJYFZSA-N 1 2 345.852 2.057 20 5 EEBDLO CC[N@H+](C)[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000748128412 577955608 /nfs/dbraw/zinc/95/56/08/577955608.db2.gz HBZATKZTIGPAAH-HNNXBMFYSA-N 1 2 332.360 2.028 20 5 EEBDLO CC[N@@H+](C)[C@H](C(=O)OCCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000748128412 577955609 /nfs/dbraw/zinc/95/56/09/577955609.db2.gz HBZATKZTIGPAAH-HNNXBMFYSA-N 1 2 332.360 2.028 20 5 EEBDLO O=C(NCCCCNc1cccc[nH+]1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825720230 1198845788 /nfs/dbraw/zinc/84/57/88/1198845788.db2.gz BWVZMALZCSIGSM-INIZCTEOSA-N 1 2 344.371 2.032 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC(CNC(=O)C(F)(F)F)C1 ZINC000877776383 1200092532 /nfs/dbraw/zinc/09/25/32/1200092532.db2.gz IMHSULOWPZQOPY-UHFFFAOYSA-N 1 2 345.321 2.322 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NCCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC001095606641 1205889549 /nfs/dbraw/zinc/88/95/49/1205889549.db2.gz WZHWGAKTMOSPFM-UHFFFAOYSA-N 1 2 345.403 2.120 20 5 EEBDLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000932718196 1207664369 /nfs/dbraw/zinc/66/43/69/1207664369.db2.gz SWCORSKMEPAUHZ-JKSUJKDBSA-N 1 2 328.372 2.491 20 5 EEBDLO CCn1c[nH+]c2c1CCN([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000933259641 1207749054 /nfs/dbraw/zinc/74/90/54/1207749054.db2.gz FLSVBXJVHZDLCZ-LBPRGKRZSA-N 1 2 343.387 2.197 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](NC(=O)CCc3[nH]cc[nH+]3)C2)c1 ZINC001097018685 1243582550 /nfs/dbraw/zinc/58/25/50/1243582550.db2.gz XMUHBYNXKGEGOE-JOCQHMNTSA-N 1 2 343.387 2.318 20 5 EEBDLO Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097266448 1243891642 /nfs/dbraw/zinc/89/16/42/1243891642.db2.gz SVKRTTABXINDDY-BETUJISGSA-N 1 2 343.387 2.020 20 5 EEBDLO C[C@H]1COCC[N@H+]1CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000856729484 1293608592 /nfs/dbraw/zinc/60/85/92/1293608592.db2.gz WNPCYBDATZZPRR-JTQLQIEISA-N 1 2 344.209 2.490 20 5 EEBDLO C[C@H]1COCC[N@@H+]1CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000856729484 1293608584 /nfs/dbraw/zinc/60/85/84/1293608584.db2.gz WNPCYBDATZZPRR-JTQLQIEISA-N 1 2 344.209 2.490 20 5 EEBDLO Cc1cc(S(=O)(=O)N2c3cc[nH+]cc3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000857901631 1293947587 /nfs/dbraw/zinc/94/75/87/1293947587.db2.gz MEFXORRYKVYFJK-LLVKDONJSA-N 1 2 333.369 2.438 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CCC45C[NH2+]C5)c3nc2cc1C ZINC001218242523 1297613408 /nfs/dbraw/zinc/61/34/08/1297613408.db2.gz QKYBOPASBHCDRT-ZDUSSCGKSA-N 1 2 337.383 2.026 20 5 EEBDLO CCNc1cc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC001224379532 1300569083 /nfs/dbraw/zinc/56/90/83/1300569083.db2.gz VZRQIJWEWOBRFL-UHFFFAOYSA-N 1 2 343.387 2.464 20 5 EEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1[nH+]ccn1C ZINC001123997151 1310794973 /nfs/dbraw/zinc/79/49/73/1310794973.db2.gz ATAKFNZVULAUNY-LLVKDONJSA-N 1 2 334.401 2.168 20 5 EEBDLO CCOC(=O)C(C)(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465801 1318081102 /nfs/dbraw/zinc/08/11/02/1318081102.db2.gz LYMBMWZPDWUDTR-UHFFFAOYSA-N 1 2 335.404 2.495 20 5 EEBDLO CC(C)(C)[C@@H](C[NH+]1CCOCC1)Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC001162877448 1320980181 /nfs/dbraw/zinc/98/01/81/1320980181.db2.gz FTSSCEKLKBMOLI-LLVKDONJSA-N 1 2 343.815 2.197 20 5 EEBDLO C[N@@H+]1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001163673169 1321189407 /nfs/dbraw/zinc/18/94/07/1321189407.db2.gz ULAKGMNCBHNZSK-AWEZNQCLSA-N 1 2 348.790 2.375 20 5 EEBDLO C[N@H+]1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC001163673169 1321189409 /nfs/dbraw/zinc/18/94/09/1321189409.db2.gz ULAKGMNCBHNZSK-AWEZNQCLSA-N 1 2 348.790 2.375 20 5 EEBDLO O=[N+]([O-])c1ccc(Cl)cc1CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC001261798664 1322178528 /nfs/dbraw/zinc/17/85/28/1322178528.db2.gz REEFYMGIIMPCHM-UHFFFAOYSA-N 1 2 335.795 2.289 20 5 EEBDLO CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001308176287 1331569441 /nfs/dbraw/zinc/56/94/41/1331569441.db2.gz KNHRMGRTPFBLDP-XRGAULLZSA-N 1 2 334.372 2.044 20 5 EEBDLO 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Cc1nc(C[N@H+](C)[C@H]2CCCN(c3ccc([N+](=O)[O-])nc3)CC2)no1 ZINC000359645599 164144597 /nfs/dbraw/zinc/14/45/97/164144597.db2.gz XXQLPUDVXWMOMG-ZDUSSCGKSA-N 1 2 346.391 2.172 20 5 EEBDLO Cn1cc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)c2ccc(F)cc2)cn1 ZINC000375389980 167124727 /nfs/dbraw/zinc/12/47/27/167124727.db2.gz IDCMOSQDOVNWSH-HNNXBMFYSA-N 1 2 344.350 2.080 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277643955 269167025 /nfs/dbraw/zinc/16/70/25/269167025.db2.gz CJULZEYANNOWNL-CQSZACIVSA-N 1 2 342.417 2.003 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000277643955 269167026 /nfs/dbraw/zinc/16/70/26/269167026.db2.gz CJULZEYANNOWNL-CQSZACIVSA-N 1 2 342.417 2.003 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000279433061 269277652 /nfs/dbraw/zinc/27/76/52/269277652.db2.gz ZDRJXXDSUOJWJZ-NSHDSACASA-N 1 2 341.795 2.041 20 5 EEBDLO CCOC1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000288329187 275047151 /nfs/dbraw/zinc/04/71/51/275047151.db2.gz OTZIXWGQUXMZPZ-UHFFFAOYSA-N 1 2 344.371 2.420 20 5 EEBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000288899128 275090421 /nfs/dbraw/zinc/09/04/21/275090421.db2.gz NRHYWHUWLDOSFK-ZDUSSCGKSA-N 1 2 344.419 2.398 20 5 EEBDLO Cc1c(C[NH+]2CCC(CS(C)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000292037560 275366465 /nfs/dbraw/zinc/36/64/65/275366465.db2.gz AAISBARJEQGEJC-UHFFFAOYSA-N 1 2 326.418 2.160 20 5 EEBDLO Cc1c(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000104977000 280244476 /nfs/dbraw/zinc/24/44/76/280244476.db2.gz QDCXUIUERIGPBF-QWHCGFSZSA-N 1 2 336.392 2.134 20 5 EEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000295220237 293651014 /nfs/dbraw/zinc/65/10/14/293651014.db2.gz AZSXUBFWPDGXKV-GFCCVEGCSA-N 1 2 341.433 2.008 20 5 EEBDLO C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000414069328 312966439 /nfs/dbraw/zinc/96/64/39/312966439.db2.gz MADHCNLIRKFKNT-OCCSQVGLSA-N 1 2 344.371 2.014 20 5 EEBDLO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)Cc1ccc(F)cc1 ZINC000436988039 315020033 /nfs/dbraw/zinc/02/00/33/315020033.db2.gz JJWRGKPITJPOJK-UHFFFAOYSA-N 1 2 347.346 2.301 20 5 EEBDLO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)Cc1ccc(F)cc1 ZINC000436988039 315020035 /nfs/dbraw/zinc/02/00/35/315020035.db2.gz JJWRGKPITJPOJK-UHFFFAOYSA-N 1 2 347.346 2.301 20 5 EEBDLO O=C(NC1CCSCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448851646 315392379 /nfs/dbraw/zinc/39/23/79/315392379.db2.gz LZUJVANLJVMMDU-UHFFFAOYSA-N 1 2 332.385 2.406 20 5 EEBDLO COc1ccc(NC(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000542028883 318120913 /nfs/dbraw/zinc/12/09/13/318120913.db2.gz BSLCICIACFVRBM-UHFFFAOYSA-N 1 2 333.348 2.402 20 5 EEBDLO O=C1CCCN1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000578407947 320312035 /nfs/dbraw/zinc/31/20/35/320312035.db2.gz SRBIGTKQQNCCTB-UHFFFAOYSA-N 1 2 343.387 2.058 20 5 EEBDLO 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EEBDLO COc1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000364493070 165157617 /nfs/dbraw/zinc/15/76/17/165157617.db2.gz JZWUGSOWVDYUBK-UHFFFAOYSA-N 1 2 344.371 2.109 20 5 EEBDLO CN(C(=O)C[N@@H+]1CCC[C@H](OCC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000368792156 166127769 /nfs/dbraw/zinc/12/77/69/166127769.db2.gz NPNIJWBWMNZPFP-KRWDZBQOSA-N 1 2 347.415 2.449 20 5 EEBDLO CN(C(=O)C[N@H+]1CCC[C@H](OCC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000368792156 166127771 /nfs/dbraw/zinc/12/77/71/166127771.db2.gz NPNIJWBWMNZPFP-KRWDZBQOSA-N 1 2 347.415 2.449 20 5 EEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000369292319 166230833 /nfs/dbraw/zinc/23/08/33/166230833.db2.gz DSFJBFAEPJLANO-UHFFFAOYSA-N 1 2 344.371 2.165 20 5 EEBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000122778490 222156430 /nfs/dbraw/zinc/15/64/30/222156430.db2.gz NOQHXFLSDMDXFP-LBPRGKRZSA-N 1 2 343.330 2.249 20 5 EEBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000122778490 222156432 /nfs/dbraw/zinc/15/64/32/222156432.db2.gz NOQHXFLSDMDXFP-LBPRGKRZSA-N 1 2 343.330 2.249 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277643951 269166824 /nfs/dbraw/zinc/16/68/24/269166824.db2.gz CJULZEYANNOWNL-AWEZNQCLSA-N 1 2 342.417 2.003 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000277643951 269166826 /nfs/dbraw/zinc/16/68/26/269166826.db2.gz CJULZEYANNOWNL-AWEZNQCLSA-N 1 2 342.417 2.003 20 5 EEBDLO CO[C@@](C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000291556017 275317174 /nfs/dbraw/zinc/31/71/74/275317174.db2.gz WFAVGLKJDFAKDA-KRWDZBQOSA-N 1 2 344.371 2.325 20 5 EEBDLO CCOC(=O)c1ccnc(N2CCC[C@@H]2c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000364032144 279637585 /nfs/dbraw/zinc/63/75/85/279637585.db2.gz HZHXIKXNKRGXQN-LLVKDONJSA-N 1 2 331.332 2.231 20 5 EEBDLO NC(=O)[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000297225139 294185086 /nfs/dbraw/zinc/18/50/86/294185086.db2.gz HMEXGFSUAGFKKB-GDBMZVCRSA-N 1 2 326.356 2.183 20 5 EEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCC3(OCCO)CCOCC3)c2c1 ZINC000413284717 312837985 /nfs/dbraw/zinc/83/79/85/312837985.db2.gz PJQKORCAIRVLCD-UHFFFAOYSA-N 1 2 347.371 2.113 20 5 EEBDLO CS(=O)(=O)CC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413303714 312842443 /nfs/dbraw/zinc/84/24/43/312842443.db2.gz OQADUKPGKDPHHA-UHFFFAOYSA-N 1 2 349.412 2.404 20 5 EEBDLO CS(=O)(=O)C[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413304804 312843006 /nfs/dbraw/zinc/84/30/06/312843006.db2.gz QGNSLIMLZLFUEM-LBPRGKRZSA-N 1 2 349.412 2.404 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000421777980 314162469 /nfs/dbraw/zinc/16/24/69/314162469.db2.gz CPQAHAZBNRQGSR-UHFFFAOYSA-N 1 2 349.431 2.394 20 5 EEBDLO CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433109537 314746760 /nfs/dbraw/zinc/74/67/60/314746760.db2.gz FRNLJIVZLVYCRR-OAHLLOKOSA-N 1 2 343.387 2.145 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000439902669 315101839 /nfs/dbraw/zinc/10/18/39/315101839.db2.gz OGJBFXUNONEPKU-LLVKDONJSA-N 1 2 345.359 2.327 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CO)c3cccc(F)c3)nc2c1 ZINC000444690018 315316717 /nfs/dbraw/zinc/31/67/17/315316717.db2.gz QQOIGGWGLCFLDH-OAHLLOKOSA-N 1 2 330.319 2.433 20 5 EEBDLO Cc1cc(C)c(CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c[nH+]1 ZINC000452041725 315488135 /nfs/dbraw/zinc/48/81/35/315488135.db2.gz KNICKLFDYNWFEV-UHFFFAOYSA-N 1 2 335.385 2.394 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000492860006 315824649 /nfs/dbraw/zinc/82/46/49/315824649.db2.gz HKIAKZZQNFHZOH-LMVHVUTASA-N 1 2 326.356 2.358 20 5 EEBDLO CN(C)C(=O)OC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000495663299 316046577 /nfs/dbraw/zinc/04/65/77/316046577.db2.gz BLIWFNAZFYYEFG-UHFFFAOYSA-N 1 2 348.359 2.399 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)nc2c1 ZINC000547853260 318329174 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339.355 2.439 20 5 EEBDLO Cc1[nH+]c2ccccc2n1CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000007129379 462722914 /nfs/dbraw/zinc/72/29/14/462722914.db2.gz ZOZOQXXSGPLGKA-UHFFFAOYSA-N 1 2 339.355 2.464 20 5 EEBDLO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000089931060 462746655 /nfs/dbraw/zinc/74/66/55/462746655.db2.gz WPEJVMMLLQCXSO-GHMZBOCLSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000089931060 462746658 /nfs/dbraw/zinc/74/66/58/462746658.db2.gz WPEJVMMLLQCXSO-GHMZBOCLSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743993 462819725 /nfs/dbraw/zinc/81/97/25/462819725.db2.gz RGIDVOKGSVYPFI-AWEZNQCLSA-N 1 2 346.431 2.164 20 5 EEBDLO CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744894 462820038 /nfs/dbraw/zinc/82/00/38/462820038.db2.gz NHQXVDSURBCNNJ-CABCVRRESA-N 1 2 348.447 2.410 20 5 EEBDLO COC(=O)C(C)(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000066495681 462898981 /nfs/dbraw/zinc/89/89/81/462898981.db2.gz RPKYNOMTUAPPML-UHFFFAOYSA-N 1 2 333.344 2.334 20 5 EEBDLO Cc1cc(NCC2(O)CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000077217542 462954714 /nfs/dbraw/zinc/95/47/14/462954714.db2.gz DPLHVICRCVLSKZ-UHFFFAOYSA-N 1 2 344.371 2.314 20 5 EEBDLO CCc1nnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000015963232 462966715 /nfs/dbraw/zinc/96/67/15/462966715.db2.gz RLOPXXMRUVGLNY-UHFFFAOYSA-N 1 2 344.356 2.447 20 5 EEBDLO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120180028 462969604 /nfs/dbraw/zinc/96/96/04/462969604.db2.gz IFQRXBCPRRWBHA-UHFFFAOYSA-N 1 2 336.779 2.318 20 5 EEBDLO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120180028 462969611 /nfs/dbraw/zinc/96/96/11/462969611.db2.gz IFQRXBCPRRWBHA-UHFFFAOYSA-N 1 2 336.779 2.318 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000016600046 462983158 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EEBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000151273197 463504334 /nfs/dbraw/zinc/50/43/34/463504334.db2.gz HXBZOQSSPJQBBN-UHFFFAOYSA-N 1 2 333.388 2.391 20 5 EEBDLO Cc1c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000152530886 463700428 /nfs/dbraw/zinc/70/04/28/463700428.db2.gz PBDOJUFZWSSAMF-ZDUSSCGKSA-N 1 2 326.356 2.307 20 5 EEBDLO CCOc1cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000276936721 463812278 /nfs/dbraw/zinc/81/22/78/463812278.db2.gz RPMYMWMLUNYTRZ-HNNXBMFYSA-N 1 2 333.388 2.237 20 5 EEBDLO CCOc1cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000276936721 463812284 /nfs/dbraw/zinc/81/22/84/463812284.db2.gz RPMYMWMLUNYTRZ-HNNXBMFYSA-N 1 2 333.388 2.237 20 5 EEBDLO CCOc1cc(C[N@H+](CCS(C)(=O)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000276987671 463831737 /nfs/dbraw/zinc/83/17/37/463831737.db2.gz ZJTPPHQFUJKXEY-UHFFFAOYSA-N 1 2 344.433 2.249 20 5 EEBDLO CCOc1cc(C[N@@H+](CCS(C)(=O)=O)C(C)C)ccc1[N+](=O)[O-] ZINC000276987671 463831741 /nfs/dbraw/zinc/83/17/41/463831741.db2.gz ZJTPPHQFUJKXEY-UHFFFAOYSA-N 1 2 344.433 2.249 20 5 EEBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171916628 463949512 /nfs/dbraw/zinc/94/95/12/463949512.db2.gz FPXRZVDVWWGWBU-GFCCVEGCSA-N 1 2 331.294 2.190 20 5 EEBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000171916628 463949513 /nfs/dbraw/zinc/94/95/13/463949513.db2.gz FPXRZVDVWWGWBU-GFCCVEGCSA-N 1 2 331.294 2.190 20 5 EEBDLO CC(C)(CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[N+](=O)[O-] ZINC000294313817 464463291 /nfs/dbraw/zinc/46/32/91/464463291.db2.gz GJSPLAGSBINQQF-INIZCTEOSA-N 1 2 349.431 2.012 20 5 EEBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1c(F)cccc1F ZINC000265335745 464522802 /nfs/dbraw/zinc/52/28/02/464522802.db2.gz ULCRKZRWPAABNT-GFCCVEGCSA-N 1 2 338.314 2.234 20 5 EEBDLO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000189522922 464525729 /nfs/dbraw/zinc/52/57/29/464525729.db2.gz ZSWKJSAVTXJUKP-LBPRGKRZSA-N 1 2 340.273 2.488 20 5 EEBDLO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000189522922 464525734 /nfs/dbraw/zinc/52/57/34/464525734.db2.gz ZSWKJSAVTXJUKP-LBPRGKRZSA-N 1 2 340.273 2.488 20 5 EEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000246078666 464540414 /nfs/dbraw/zinc/54/04/14/464540414.db2.gz FCSPEYRSRJLRJC-DGCLKSJQSA-N 1 2 337.376 2.041 20 5 EEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000246078666 464540421 /nfs/dbraw/zinc/54/04/21/464540421.db2.gz FCSPEYRSRJLRJC-DGCLKSJQSA-N 1 2 337.376 2.041 20 5 EEBDLO CCCCC[N@H+](CC(N)=O)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184356893 464969715 /nfs/dbraw/zinc/96/97/15/464969715.db2.gz YJYVLQYNTLPJON-UHFFFAOYSA-N 1 2 327.356 2.220 20 5 EEBDLO CCCCC[N@@H+](CC(N)=O)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184356893 464969720 /nfs/dbraw/zinc/96/97/20/464969720.db2.gz YJYVLQYNTLPJON-UHFFFAOYSA-N 1 2 327.356 2.220 20 5 EEBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C[C@@H]1n1cc[nH+]c1 ZINC000268305868 465012345 /nfs/dbraw/zinc/01/23/45/465012345.db2.gz ZGCIWVVUEULPMB-GWCFXTLKSA-N 1 2 328.332 2.415 20 5 EEBDLO COc1c(C(=O)NCc2ccn3cc[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000356390065 465354451 /nfs/dbraw/zinc/35/44/51/465354451.db2.gz JINYQDCMGSQSDX-UHFFFAOYSA-N 1 2 326.312 2.181 20 5 EEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000348786777 465791915 /nfs/dbraw/zinc/79/19/15/465791915.db2.gz VQCATYVZCCUIFX-ZFYLUOEISA-N 1 2 336.413 2.117 20 5 EEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000348786777 465791921 /nfs/dbraw/zinc/79/19/21/465791921.db2.gz VQCATYVZCCUIFX-ZFYLUOEISA-N 1 2 336.413 2.117 20 5 EEBDLO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000362596275 465864582 /nfs/dbraw/zinc/86/45/82/465864582.db2.gz LKCUTYMUYUDPFC-QGZVFWFLSA-N 1 2 336.388 2.101 20 5 EEBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000362596275 465864588 /nfs/dbraw/zinc/86/45/88/465864588.db2.gz LKCUTYMUYUDPFC-QGZVFWFLSA-N 1 2 336.388 2.101 20 5 EEBDLO CC(C)[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000331588446 466151431 /nfs/dbraw/zinc/15/14/31/466151431.db2.gz BEZJLLPWBKWUFU-HOTGVXAUSA-N 1 2 333.388 2.057 20 5 EEBDLO CC(C)[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000331588446 466151435 /nfs/dbraw/zinc/15/14/35/466151435.db2.gz BEZJLLPWBKWUFU-HOTGVXAUSA-N 1 2 333.388 2.057 20 5 EEBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000353901420 466244264 /nfs/dbraw/zinc/24/42/64/466244264.db2.gz VCGDAVRTAUOUNK-SNVBAGLBSA-N 1 2 343.330 2.170 20 5 EEBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000353901420 466244268 /nfs/dbraw/zinc/24/42/68/466244268.db2.gz VCGDAVRTAUOUNK-SNVBAGLBSA-N 1 2 343.330 2.170 20 5 EEBDLO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339010854 466567792 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COc1cc(C[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000412024338 466968921 /nfs/dbraw/zinc/96/89/21/466968921.db2.gz BRGOBIDBLZDFTC-SNVBAGLBSA-N 1 2 335.339 2.159 20 5 EEBDLO COc1cc(C[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000412024338 466968925 /nfs/dbraw/zinc/96/89/25/466968925.db2.gz BRGOBIDBLZDFTC-SNVBAGLBSA-N 1 2 335.339 2.159 20 5 EEBDLO COC1([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1 ZINC000412757998 467122252 /nfs/dbraw/zinc/12/22/52/467122252.db2.gz CLKUXFICCLOQQD-LBPRGKRZSA-N 1 2 344.371 2.468 20 5 EEBDLO CN(C)C(=O)N[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413310145 467212919 /nfs/dbraw/zinc/21/29/19/467212919.db2.gz BRDCEMNRPFFPAA-ZDUSSCGKSA-N 1 2 343.387 2.383 20 5 EEBDLO CCCc1n[nH]c(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)c1[N+](=O)[O-] ZINC000378244544 467240963 /nfs/dbraw/zinc/24/09/63/467240963.db2.gz QDYHFGNUAHLUHL-NSHDSACASA-N 1 2 346.391 2.083 20 5 EEBDLO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H]1CCCOC1 ZINC000450498996 467859801 /nfs/dbraw/zinc/85/98/01/467859801.db2.gz INBBSNNUNDWQMO-TZMCWYRMSA-N 1 2 344.371 2.325 20 5 EEBDLO Cc1c(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000488751674 468101760 /nfs/dbraw/zinc/10/17/60/468101760.db2.gz WPCSAYFBCGGYTD-MRXNPFEDSA-N 1 2 346.431 2.481 20 5 EEBDLO Cc1c(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000488751674 468101763 /nfs/dbraw/zinc/10/17/63/468101763.db2.gz WPCSAYFBCGGYTD-MRXNPFEDSA-N 1 2 346.431 2.481 20 5 EEBDLO CCOc1cc(C(=O)N[C@H](C)c2[nH]cc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000519558702 468171635 /nfs/dbraw/zinc/17/16/35/468171635.db2.gz LCGOVCHROHTUGY-SECBINFHSA-N 1 2 334.332 2.216 20 5 EEBDLO COC(=O)CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000490010972 468186312 /nfs/dbraw/zinc/18/63/12/468186312.db2.gz JAJTZNLPHKOODW-UHFFFAOYSA-N 1 2 346.387 2.284 20 5 EEBDLO COC(=O)CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000490010972 468186315 /nfs/dbraw/zinc/18/63/15/468186315.db2.gz JAJTZNLPHKOODW-UHFFFAOYSA-N 1 2 346.387 2.284 20 5 EEBDLO CCc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000597706417 468645957 /nfs/dbraw/zinc/64/59/57/468645957.db2.gz FOYPMQJTAWAFDG-INIZCTEOSA-N 1 2 347.415 2.094 20 5 EEBDLO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000600892172 468678036 /nfs/dbraw/zinc/67/80/36/468678036.db2.gz GGTKGWPRAOSTJQ-UHFFFAOYSA-N 1 2 330.319 2.091 20 5 EEBDLO CC[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](CC)CO1 ZINC000593056788 468854706 /nfs/dbraw/zinc/85/47/06/468854706.db2.gz AGDTYRAQWCFNMQ-GDBMZVCRSA-N 1 2 347.415 2.373 20 5 EEBDLO CC[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](CC)CO1 ZINC000593056788 468854710 /nfs/dbraw/zinc/85/47/10/468854710.db2.gz AGDTYRAQWCFNMQ-GDBMZVCRSA-N 1 2 347.415 2.373 20 5 EEBDLO CC[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC000593057616 468855146 /nfs/dbraw/zinc/85/51/46/468855146.db2.gz 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CC(=O)c1cc(N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000586986204 469085115 /nfs/dbraw/zinc/08/51/15/469085115.db2.gz MQMDVEHQCLBNJY-OAHLLOKOSA-N 1 2 333.388 2.098 20 5 EEBDLO Cc1n[nH]c(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000619777905 469680537 /nfs/dbraw/zinc/68/05/37/469680537.db2.gz GFIFJOCAWYJSLL-LBPRGKRZSA-N 1 2 349.778 2.066 20 5 EEBDLO Cc1[nH]nc(C(=O)N2CC[NH2+][C@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000619777905 469680541 /nfs/dbraw/zinc/68/05/41/469680541.db2.gz GFIFJOCAWYJSLL-LBPRGKRZSA-N 1 2 349.778 2.066 20 5 EEBDLO C[C@H]1C[NH+]=C(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)S1 ZINC000174366255 534004191 /nfs/dbraw/zinc/00/41/91/534004191.db2.gz JVVKFJBCWVPOMB-NSHDSACASA-N 1 2 349.416 2.236 20 5 EEBDLO COc1cc(C(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc([N+](=O)[O-])c1OC ZINC000456364024 536509946 /nfs/dbraw/zinc/50/99/46/536509946.db2.gz FSFXJSRAYMSQOR-MWLCHTKSSA-N 1 2 346.343 2.244 20 5 EEBDLO COc1cc(COC(=O)[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])cc1F 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336.298 2.026 20 5 EEBDLO CC[C@@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@H](CC)CO1 ZINC000844729367 789332951 /nfs/dbraw/zinc/33/29/51/789332951.db2.gz WTJAPXVTWVOTNF-TZMCWYRMSA-N 1 2 333.392 2.495 20 5 EEBDLO CC[C@@H]1C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@H](CC)CO1 ZINC000844729367 789332957 /nfs/dbraw/zinc/33/29/57/789332957.db2.gz WTJAPXVTWVOTNF-TZMCWYRMSA-N 1 2 333.392 2.495 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(Cl)cc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000845502903 789818781 /nfs/dbraw/zinc/81/87/81/789818781.db2.gz PXUUFUKIDIDHPT-SNVBAGLBSA-N 1 2 329.759 2.298 20 5 EEBDLO CCOC(=O)C1C[NH+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173188150 797280899 /nfs/dbraw/zinc/28/08/99/797280899.db2.gz CRXDCNARRSNTLJ-SNVBAGLBSA-N 1 2 340.351 2.168 20 5 EEBDLO COc1c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000357124212 797294167 /nfs/dbraw/zinc/29/41/67/797294167.db2.gz LLGFGACBYVTBRG-LBPRGKRZSA-N 1 2 344.371 2.357 20 5 EEBDLO COC(=O)c1cn2c(n1)C[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173232504 797312455 /nfs/dbraw/zinc/31/24/55/797312455.db2.gz RIYLJWJUQVCLFC-LBPRGKRZSA-N 1 2 344.371 2.025 20 5 EEBDLO COC(=O)c1cn2c(n1)C[N@@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173232504 797312463 /nfs/dbraw/zinc/31/24/63/797312463.db2.gz RIYLJWJUQVCLFC-LBPRGKRZSA-N 1 2 344.371 2.025 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001110194741 798426056 /nfs/dbraw/zinc/42/60/56/798426056.db2.gz YRTKXQXSARHCBN-UHFFFAOYSA-N 1 2 347.350 2.069 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCCNc1ccc(C)cc1[N+](=O)[O-] ZINC001109490748 805550192 /nfs/dbraw/zinc/55/01/92/805550192.db2.gz MNTZCDVRZRCOBR-UHFFFAOYSA-N 1 2 345.403 2.438 20 5 EEBDLO Nc1c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000178156662 232096418 /nfs/dbraw/zinc/09/64/18/232096418.db2.gz SFGFTBHCQMIUGZ-UHFFFAOYSA-N 1 2 341.371 2.102 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000426914276 241355994 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336.388 2.052 20 5 EEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2cc[nH+]c2-c2cccnc2)c1 ZINC000305326372 466401495 /nfs/dbraw/zinc/40/14/95/466401495.db2.gz PBWCWLCPUHUJMX-HNNXBMFYSA-N 1 2 340.339 2.293 20 5 EEBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000350395302 466478659 /nfs/dbraw/zinc/47/86/59/466478659.db2.gz SVTFDKNZPYMIJI-UHFFFAOYSA-N 1 2 328.372 2.013 20 5 EEBDLO CC[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[N@@H+]1CCO[C@@H](CC)C1 ZINC000332351889 466522609 /nfs/dbraw/zinc/52/26/09/466522609.db2.gz UZQCJTMESVMLCH-ZFWWWQNUSA-N 1 2 347.415 2.373 20 5 EEBDLO CC[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[N@H+]1CCO[C@@H](CC)C1 ZINC000332351889 466522619 /nfs/dbraw/zinc/52/26/19/466522619.db2.gz UZQCJTMESVMLCH-ZFWWWQNUSA-N 1 2 347.415 2.373 20 5 EEBDLO CNC(=O)c1ccc(NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000354392502 466532167 /nfs/dbraw/zinc/53/21/67/466532167.db2.gz RFPBSWQAVYOPDE-UHFFFAOYSA-N 1 2 325.328 2.214 20 5 EEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000347331416 466571547 /nfs/dbraw/zinc/57/15/47/466571547.db2.gz FDCGBWBBFCEXOI-FSBNRTBOSA-N 1 2 326.418 2.363 20 5 EEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000347331416 466571550 /nfs/dbraw/zinc/57/15/50/466571550.db2.gz FDCGBWBBFCEXOI-FSBNRTBOSA-N 1 2 326.418 2.363 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000365466848 466826796 /nfs/dbraw/zinc/82/67/96/466826796.db2.gz YVLPCDKOKHMQKL-CYBMUJFWSA-N 1 2 343.387 2.146 20 5 EEBDLO C[C@H]1COCC[N@@H+]1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413121909 467173432 /nfs/dbraw/zinc/17/34/32/467173432.db2.gz HZSVCHBKTPAFAC-VIFPVBQESA-N 1 2 334.298 2.141 20 5 EEBDLO C[C@H]1COCC[N@H+]1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413121909 467173435 /nfs/dbraw/zinc/17/34/35/467173435.db2.gz HZSVCHBKTPAFAC-VIFPVBQESA-N 1 2 334.298 2.141 20 5 EEBDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451571843 467261144 /nfs/dbraw/zinc/26/11/44/467261144.db2.gz QFXHJFNFKHBHBJ-CQSZACIVSA-N 1 2 344.371 2.709 20 5 EEBDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000451571843 467261149 /nfs/dbraw/zinc/26/11/49/467261149.db2.gz QFXHJFNFKHBHBJ-CQSZACIVSA-N 1 2 344.371 2.709 20 5 EEBDLO CCC[N@H+](CC(N)=O)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000430141158 467402627 /nfs/dbraw/zinc/40/26/27/467402627.db2.gz WLFQIIOCXICXTO-UHFFFAOYSA-N 1 2 334.401 2.416 20 5 EEBDLO CCC[N@@H+](CC(N)=O)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000430141158 467402629 /nfs/dbraw/zinc/40/26/29/467402629.db2.gz WLFQIIOCXICXTO-UHFFFAOYSA-N 1 2 334.401 2.416 20 5 EEBDLO CC(C)(C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000449656486 467678999 /nfs/dbraw/zinc/67/89/99/467678999.db2.gz LCHBEPOYROSMOO-LBPRGKRZSA-N 1 2 341.358 2.233 20 5 EEBDLO O=C(NC[C@@H]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449932817 467746329 /nfs/dbraw/zinc/74/63/29/467746329.db2.gz WUVOVLNPAPOWHC-OCCSQVGLSA-N 1 2 344.371 2.061 20 5 EEBDLO CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449955360 467750185 /nfs/dbraw/zinc/75/01/85/467750185.db2.gz YYKSHZLICALWOQ-BBRMVZONSA-N 1 2 344.371 2.468 20 5 EEBDLO C[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCOC1 ZINC000450590576 467875455 /nfs/dbraw/zinc/87/54/55/467875455.db2.gz WFHFTBKSICASRG-INIZCTEOSA-N 1 2 330.344 2.079 20 5 EEBDLO C[C@H](CC(C)(C)O)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450697096 467893690 /nfs/dbraw/zinc/89/36/90/467893690.db2.gz WBWGQVYGCHAZAY-CYBMUJFWSA-N 1 2 337.420 2.388 20 5 EEBDLO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000515306137 467984558 /nfs/dbraw/zinc/98/45/58/467984558.db2.gz VYUJVQOSYANAMI-GFCCVEGCSA-N 1 2 326.324 2.081 20 5 EEBDLO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000515306137 467984559 /nfs/dbraw/zinc/98/45/59/467984559.db2.gz VYUJVQOSYANAMI-GFCCVEGCSA-N 1 2 326.324 2.081 20 5 EEBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCc1cn2c([nH+]1)CCCC2 ZINC000490886451 468261643 /nfs/dbraw/zinc/26/16/43/468261643.db2.gz MFRAQUSRSAYSDL-HJWRWDBZSA-N 1 2 340.383 2.500 20 5 EEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CO1 ZINC000597996270 468734683 /nfs/dbraw/zinc/73/46/83/468734683.db2.gz IGANTBPYFMNSLB-GHMZBOCLSA-N 1 2 341.795 2.087 20 5 EEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CO1 ZINC000597996270 468734688 /nfs/dbraw/zinc/73/46/88/468734688.db2.gz IGANTBPYFMNSLB-GHMZBOCLSA-N 1 2 341.795 2.087 20 5 EEBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000592998025 468834899 /nfs/dbraw/zinc/83/48/99/468834899.db2.gz NKWNDTPVAVQABC-UHFFFAOYSA-N 1 2 344.346 2.020 20 5 EEBDLO Cc1nccnc1N1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595472533 468865932 /nfs/dbraw/zinc/86/59/32/468865932.db2.gz MPNSRYSCADHMTI-UHFFFAOYSA-N 1 2 331.351 2.155 20 5 EEBDLO Cc1cccn2cc(CCNC(=O)Cc3cccc([N+](=O)[O-])c3)[nH+]c12 ZINC000610434631 468965988 /nfs/dbraw/zinc/96/59/88/468965988.db2.gz CJCOUHPVYSOHLB-UHFFFAOYSA-N 1 2 338.367 2.452 20 5 EEBDLO CCc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000610435774 468966720 /nfs/dbraw/zinc/96/67/20/468966720.db2.gz RHZMIBXMIQRYGC-INIZCTEOSA-N 1 2 347.415 2.094 20 5 EEBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000610711612 469047095 /nfs/dbraw/zinc/04/70/95/469047095.db2.gz XIHAAWXCNQZGJM-UHFFFAOYSA-N 1 2 329.331 2.480 20 5 EEBDLO C[N@H+](CCOC(C)(C)C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610859963 469094182 /nfs/dbraw/zinc/09/41/82/469094182.db2.gz XQMMIZGWVVVUBB-UHFFFAOYSA-N 1 2 335.404 2.231 20 5 EEBDLO C[N@@H+](CCOC(C)(C)C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000610859963 469094188 /nfs/dbraw/zinc/09/41/88/469094188.db2.gz XQMMIZGWVVVUBB-UHFFFAOYSA-N 1 2 335.404 2.231 20 5 EEBDLO CCC[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)OC ZINC000602446540 469320278 /nfs/dbraw/zinc/32/02/78/469320278.db2.gz GKMWZAXSXUNVRN-LBPRGKRZSA-N 1 2 341.433 2.229 20 5 EEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596912945 469406904 /nfs/dbraw/zinc/40/69/04/469406904.db2.gz PGTOJYFEAYUVPR-OAHLLOKOSA-N 1 2 348.403 2.096 20 5 EEBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000603585112 469413486 /nfs/dbraw/zinc/41/34/86/469413486.db2.gz IAMAWEHWLUBXLO-MRXNPFEDSA-N 1 2 339.351 2.359 20 5 EEBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000603585112 469413493 /nfs/dbraw/zinc/41/34/93/469413493.db2.gz IAMAWEHWLUBXLO-MRXNPFEDSA-N 1 2 339.351 2.359 20 5 EEBDLO CCC[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000619154565 469539872 /nfs/dbraw/zinc/53/98/72/469539872.db2.gz CPZBXQDFKPFSOH-MRXNPFEDSA-N 1 2 349.431 2.432 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258025 469907140 /nfs/dbraw/zinc/90/71/40/469907140.db2.gz ISHRRIMVARUOJT-AWEZNQCLSA-N 1 2 343.387 2.375 20 5 EEBDLO CC[C@@H](O)[C@@H](CC)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456671612 535815039 /nfs/dbraw/zinc/81/50/39/535815039.db2.gz OXDXKURKQSVPES-IUODEOHRSA-N 1 2 332.360 2.060 20 5 EEBDLO COC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450406252 536560478 /nfs/dbraw/zinc/56/04/78/536560478.db2.gz QECJLKUTDHQLKU-UHFFFAOYSA-N 1 2 344.371 2.422 20 5 EEBDLO C[N@H+](CC(F)F)C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000742237895 577869494 /nfs/dbraw/zinc/86/94/94/577869494.db2.gz RYJSTIDXIIBXPM-UHFFFAOYSA-N 1 2 341.358 2.325 20 5 EEBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000742237895 577869495 /nfs/dbraw/zinc/86/94/95/577869495.db2.gz RYJSTIDXIIBXPM-UHFFFAOYSA-N 1 2 341.358 2.325 20 5 EEBDLO C[N@H+](C[C@H]1CCCCO1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742146679 578127856 /nfs/dbraw/zinc/12/78/56/578127856.db2.gz WEOWQIHHVSWIFL-CQSZACIVSA-N 1 2 331.376 2.312 20 5 EEBDLO C[N@@H+](C[C@H]1CCCCO1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742146679 578127857 /nfs/dbraw/zinc/12/78/57/578127857.db2.gz WEOWQIHHVSWIFL-CQSZACIVSA-N 1 2 331.376 2.312 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](OCC)C2)c([N+](=O)[O-])c1 ZINC000932973310 676386320 /nfs/dbraw/zinc/38/63/20/676386320.db2.gz VODKTOXOOZNZIQ-ZDUSSCGKSA-N 1 2 337.376 2.043 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](OCC)C2)c([N+](=O)[O-])c1 ZINC000932973310 676386321 /nfs/dbraw/zinc/38/63/21/676386321.db2.gz VODKTOXOOZNZIQ-ZDUSSCGKSA-N 1 2 337.376 2.043 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)c1C ZINC000897875911 691808989 /nfs/dbraw/zinc/80/89/89/691808989.db2.gz KFRPRBMPSGQVLU-HNNXBMFYSA-N 1 2 347.415 2.148 20 5 EEBDLO Cc1[nH]nc(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000870126062 1200489658 /nfs/dbraw/zinc/48/96/58/1200489658.db2.gz XQJCRRYZNVVKDL-ZDUSSCGKSA-N 1 2 343.387 2.145 20 5 EEBDLO Cc1n[nH]c(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000870126062 1200489661 /nfs/dbraw/zinc/48/96/61/1200489661.db2.gz XQJCRRYZNVVKDL-ZDUSSCGKSA-N 1 2 343.387 2.145 20 5 EEBDLO Cc1ccc(C[NH+]2CCN(c3cc(F)ncn3)CC2)cc1[N+](=O)[O-] ZINC000878677013 1200614367 /nfs/dbraw/zinc/61/43/67/1200614367.db2.gz HOSHOCYIHQUKKH-UHFFFAOYSA-N 1 2 331.351 2.155 20 5 EEBDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886025297 1202463911 /nfs/dbraw/zinc/46/39/11/1202463911.db2.gz FRUDYCPMEDFNNK-CYBMUJFWSA-N 1 2 336.392 2.479 20 5 EEBDLO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886025297 1202463912 /nfs/dbraw/zinc/46/39/12/1202463912.db2.gz FRUDYCPMEDFNNK-CYBMUJFWSA-N 1 2 336.392 2.479 20 5 EEBDLO Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)s1 ZINC001017548038 1227510200 /nfs/dbraw/zinc/51/02/00/1227510200.db2.gz MTUIWJPUKNMPFS-QKPAOTATSA-N 1 2 349.456 2.205 20 5 EEBDLO Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)s1 ZINC001017548038 1227510204 /nfs/dbraw/zinc/51/02/04/1227510204.db2.gz MTUIWJPUKNMPFS-QKPAOTATSA-N 1 2 349.456 2.205 20 5 EEBDLO CCCCCC(=O)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096265740 1236862693 /nfs/dbraw/zinc/86/26/93/1236862693.db2.gz NSZWUVPCAFANQD-UHFFFAOYSA-N 1 2 348.447 2.413 20 5 EEBDLO Cc1cc(NC[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC001068500988 1251181685 /nfs/dbraw/zinc/18/16/85/1251181685.db2.gz PADLMVSICFUMNP-CTYIDZIISA-N 1 2 343.387 2.107 20 5 EEBDLO Cn1c[nH+]cc1CC(=O)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111825420 1303950051 /nfs/dbraw/zinc/95/00/51/1303950051.db2.gz DZRUKZIZKXLCIP-UHFFFAOYSA-N 1 2 343.387 2.022 20 5 EEBDLO CN(CCCN(C)c1ccccc1[N+](=O)[O-])C(=O)CCc1[nH]cc[nH+]1 ZINC001112077324 1304209590 /nfs/dbraw/zinc/20/95/90/1304209590.db2.gz LRLANLNMTUSZEK-UHFFFAOYSA-N 1 2 345.403 2.235 20 5 EEBDLO O=C(COc1cccc([N+](=O)[O-])c1)OCC1CN(c2cccc[nH+]2)C1 ZINC000842892402 1315793309 /nfs/dbraw/zinc/79/33/09/1315793309.db2.gz CEDRPUDBFPPSHA-UHFFFAOYSA-N 1 2 343.339 2.048 20 5 EEBDLO Cc1cc(C[N@@H+]2CCCN(c3nc(C)ccc3[N+](=O)[O-])CC2)no1 ZINC001319199021 1332664065 /nfs/dbraw/zinc/66/40/65/1332664065.db2.gz MCLSZOGPILTDHW-UHFFFAOYSA-N 1 2 331.376 2.307 20 5 EEBDLO Cc1cc(C[N@H+]2CCCN(c3nc(C)ccc3[N+](=O)[O-])CC2)no1 ZINC001319199021 1332664068 /nfs/dbraw/zinc/66/40/68/1332664068.db2.gz MCLSZOGPILTDHW-UHFFFAOYSA-N 1 2 331.376 2.307 20 5 EEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](O)CC1 ZINC000815299621 1367860783 /nfs/dbraw/zinc/86/07/83/1367860783.db2.gz KAOPSIATORQSIY-ZYHUDNBSSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](O)CC1 ZINC000815299621 1367860784 /nfs/dbraw/zinc/86/07/84/1367860784.db2.gz KAOPSIATORQSIY-ZYHUDNBSSA-N 1 2 341.795 2.422 20 5 EEBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(n2cc[nH+]c2)CC1 ZINC001167126519 757358655 /nfs/dbraw/zinc/35/86/55/757358655.db2.gz YTGHVLFCQMOMHJ-UHFFFAOYSA-N 1 2 345.359 2.205 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000908277181 785292681 /nfs/dbraw/zinc/29/26/81/785292681.db2.gz BUQSZOUBMJWTEG-NSHDSACASA-N 1 2 330.344 2.391 20 5 EEBDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028479 786399452 /nfs/dbraw/zinc/39/94/52/786399452.db2.gz SKDCFSWRFBJNCN-TWMKSMIVSA-N 1 2 346.383 2.105 20 5 EEBDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028479 786399455 /nfs/dbraw/zinc/39/94/55/786399455.db2.gz SKDCFSWRFBJNCN-TWMKSMIVSA-N 1 2 346.383 2.105 20 5 EEBDLO Cc1cnc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000171576967 791404157 /nfs/dbraw/zinc/40/41/57/791404157.db2.gz QCDAYMWGOYXUDQ-UHFFFAOYSA-N 1 2 339.311 2.236 20 5 EEBDLO O=C(NCCc1[nH]cc[nH+]1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000172993728 791808445 /nfs/dbraw/zinc/80/84/45/791808445.db2.gz VMMVPXASEBANHN-UHFFFAOYSA-N 1 2 343.387 2.281 20 5 EEBDLO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)Cn1cc[nH+]c1 ZINC001106790318 796562260 /nfs/dbraw/zinc/56/22/60/796562260.db2.gz WHJUATNHMSGBKJ-UHFFFAOYSA-N 1 2 331.376 2.060 20 5 EEBDLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccnn1C ZINC000791937425 809491163 /nfs/dbraw/zinc/49/11/63/809491163.db2.gz ULUDTISOTRLCTG-LLVKDONJSA-N 1 2 341.327 2.432 20 5 EEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000793745964 810517428 /nfs/dbraw/zinc/51/74/28/810517428.db2.gz MZWLGDZBJJVYJK-CYBMUJFWSA-N 1 2 347.371 2.209 20 5 EEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000793745964 810517435 /nfs/dbraw/zinc/51/74/35/810517435.db2.gz MZWLGDZBJJVYJK-CYBMUJFWSA-N 1 2 347.371 2.209 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000051824068 214105658 /nfs/dbraw/zinc/10/56/58/214105658.db2.gz OWRPAVQZTXVHPY-UHFFFAOYSA-N 1 2 346.412 2.052 20 5 EEBDLO C[C@@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1nncn1C ZINC000037293647 213139576 /nfs/dbraw/zinc/13/95/76/213139576.db2.gz BMVYACGPGFXFFH-MRVPVSSYSA-N 1 2 340.181 2.337 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1CCCOC1 ZINC000447800719 242318558 /nfs/dbraw/zinc/31/85/58/242318558.db2.gz WMYGXYVFSCFYJU-HNNXBMFYSA-N 1 2 335.404 2.266 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCC[C@H]1CCO ZINC000447815776 242320533 /nfs/dbraw/zinc/32/05/33/242320533.db2.gz HLGYNHXLCRZLMD-HOTGVXAUSA-N 1 2 349.431 2.390 20 5 EEBDLO O=C(N[C@H](CO)CC1CCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451358791 243088711 /nfs/dbraw/zinc/08/87/11/243088711.db2.gz VAKYGUHPTXWQNQ-AWEZNQCLSA-N 1 2 344.371 2.061 20 5 EEBDLO CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000451451582 243120581 /nfs/dbraw/zinc/12/05/81/243120581.db2.gz CWNJXWOMTDWPOE-JSGCOSHPSA-N 1 2 344.371 2.420 20 5 EEBDLO CCn1cc[nH+]c1CNC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000456107560 244152057 /nfs/dbraw/zinc/15/20/57/244152057.db2.gz VHBXZXBJHZAITA-UHFFFAOYSA-N 1 2 332.360 2.205 20 5 EEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078072755 217018837 /nfs/dbraw/zinc/01/88/37/217018837.db2.gz SLIHREOFWBNUPJ-QGZVFWFLSA-N 1 2 341.367 2.434 20 5 EEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078072755 217018840 /nfs/dbraw/zinc/01/88/40/217018840.db2.gz SLIHREOFWBNUPJ-QGZVFWFLSA-N 1 2 341.367 2.434 20 5 EEBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1 ZINC000078881928 217139126 /nfs/dbraw/zinc/13/91/26/217139126.db2.gz FFIKXIWKKIXFJT-UHFFFAOYSA-N 1 2 340.383 2.356 20 5 EEBDLO Cc1nsc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000093663430 218240467 /nfs/dbraw/zinc/24/04/67/218240467.db2.gz BKKMALCUCRQNCH-UHFFFAOYSA-N 1 2 333.417 2.385 20 5 EEBDLO COc1cc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)ccc1[N+](=O)[O-] ZINC000267205592 256037690 /nfs/dbraw/zinc/03/76/90/256037690.db2.gz KJWJNXDLTGFTSW-LLVKDONJSA-N 1 2 336.417 2.217 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000273869282 256334614 /nfs/dbraw/zinc/33/46/14/256334614.db2.gz MUOYTDDOJCCLJL-CQSZACIVSA-N 1 2 330.344 2.489 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000273869282 256334616 /nfs/dbraw/zinc/33/46/16/256334616.db2.gz MUOYTDDOJCCLJL-CQSZACIVSA-N 1 2 330.344 2.489 20 5 EEBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(Cc3ccccn3)CC2)cc1 ZINC000067386661 159011221 /nfs/dbraw/zinc/01/12/21/159011221.db2.gz DUAPWXZAKJDQHQ-UHFFFAOYSA-N 1 2 342.399 2.186 20 5 EEBDLO O=[N+]([O-])c1ccc(OCCN2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000067386661 159011222 /nfs/dbraw/zinc/01/12/22/159011222.db2.gz DUAPWXZAKJDQHQ-UHFFFAOYSA-N 1 2 342.399 2.186 20 5 EEBDLO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120906783 159396786 /nfs/dbraw/zinc/39/67/86/159396786.db2.gz JWJAHXJUKOEWRI-CYBMUJFWSA-N 1 2 331.303 2.422 20 5 EEBDLO Cc1nn(C)c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000194109839 160191308 /nfs/dbraw/zinc/19/13/08/160191308.db2.gz FNYYPZWAKDQTEC-UHFFFAOYSA-N 1 2 326.316 2.075 20 5 EEBDLO O=C(NCCc1cn2ccccc2[nH+]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344168158 161204085 /nfs/dbraw/zinc/20/40/85/161204085.db2.gz FLZFPHUQGOBFIO-UHFFFAOYSA-N 1 2 328.303 2.354 20 5 EEBDLO CC(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nncn1C ZINC000352464217 162144370 /nfs/dbraw/zinc/14/43/70/162144370.db2.gz QLTJQNKNAWNFGM-AWEZNQCLSA-N 1 2 329.364 2.087 20 5 EEBDLO COCCC(=O)N1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000355773362 163297893 /nfs/dbraw/zinc/29/78/93/163297893.db2.gz RUANKIBDDWCDCL-CQSZACIVSA-N 1 2 335.404 2.145 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)n1 ZINC000359642980 164143678 /nfs/dbraw/zinc/14/36/78/164143678.db2.gz SNPHTUOXBAYTPR-ZIAGYGMSSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)n1 ZINC000359642980 164143680 /nfs/dbraw/zinc/14/36/80/164143680.db2.gz SNPHTUOXBAYTPR-ZIAGYGMSSA-N 1 2 348.382 2.056 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000375849038 167211018 /nfs/dbraw/zinc/21/10/18/167211018.db2.gz FYGFADLBYSSKHJ-UHFFFAOYSA-N 1 2 333.367 2.180 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000375849038 167211020 /nfs/dbraw/zinc/21/10/20/167211020.db2.gz FYGFADLBYSSKHJ-UHFFFAOYSA-N 1 2 333.367 2.180 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000272653269 269004163 /nfs/dbraw/zinc/00/41/63/269004163.db2.gz ZTTMFFUYRYPZNP-AWEZNQCLSA-N 1 2 335.385 2.395 20 5 EEBDLO COC(=O)c1cc([N+](=O)[O-])c(C)cc1SCC[NH+]1CCOCC1 ZINC000278660018 274383646 /nfs/dbraw/zinc/38/36/46/274383646.db2.gz JCNOKSLLLHMXMO-UHFFFAOYSA-N 1 2 340.401 2.114 20 5 EEBDLO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000249140202 277353143 /nfs/dbraw/zinc/35/31/43/277353143.db2.gz WAPMDZSTRDAXDO-CMPLNLGQSA-N 1 2 340.351 2.374 20 5 EEBDLO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000249140202 277353145 /nfs/dbraw/zinc/35/31/45/277353145.db2.gz WAPMDZSTRDAXDO-CMPLNLGQSA-N 1 2 340.351 2.374 20 5 EEBDLO Cc1nnsc1CN[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000293890897 293319984 /nfs/dbraw/zinc/31/99/84/293319984.db2.gz 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C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522285042 468367654 /nfs/dbraw/zinc/36/76/54/468367654.db2.gz QRXQCOOIYUCZNT-NSHDSACASA-N 1 2 332.385 2.355 20 5 EEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000255658489 463740386 /nfs/dbraw/zinc/74/03/86/463740386.db2.gz ZLGPZZMKENKGHS-QTLSWZBMSA-N 1 2 336.413 2.260 20 5 EEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000255658489 463740391 /nfs/dbraw/zinc/74/03/91/463740391.db2.gz ZLGPZZMKENKGHS-QTLSWZBMSA-N 1 2 336.413 2.260 20 5 EEBDLO CCCCOCCNC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269099614 463874434 /nfs/dbraw/zinc/87/44/34/463874434.db2.gz QXJQCKYGOHICPI-UHFFFAOYSA-N 1 2 349.431 2.492 20 5 EEBDLO CCCCOCCNC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269099614 463874438 /nfs/dbraw/zinc/87/44/38/463874438.db2.gz QXJQCKYGOHICPI-UHFFFAOYSA-N 1 2 349.431 2.492 20 5 EEBDLO CN1CCO[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000284346626 464158340 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2.030 20 5 EEBDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000294757718 464596497 /nfs/dbraw/zinc/59/64/97/464596497.db2.gz ITTISPDNXBKROE-ZDUSSCGKSA-N 1 2 325.340 2.397 20 5 EEBDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000294757718 464596501 /nfs/dbraw/zinc/59/65/01/464596501.db2.gz ITTISPDNXBKROE-ZDUSSCGKSA-N 1 2 325.340 2.397 20 5 EEBDLO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000272440531 464609730 /nfs/dbraw/zinc/60/97/30/464609730.db2.gz PESKOBUYTHHNDF-JTQLQIEISA-N 1 2 344.327 2.066 20 5 EEBDLO CC(C)(CCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1)[N+](=O)[O-] ZINC000294857579 464627050 /nfs/dbraw/zinc/62/70/50/464627050.db2.gz GPHFSCUSFDOGFN-UHFFFAOYSA-N 1 2 337.395 2.305 20 5 EEBDLO O=[N+]([O-])c1cc(F)cc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)c1 ZINC000356668526 465480150 /nfs/dbraw/zinc/48/01/50/465480150.db2.gz HVQCHOWNJWTQGG-CYBMUJFWSA-N 1 2 334.307 2.320 20 5 EEBDLO O=[N+]([O-])c1cc(F)cc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)c1 ZINC000356668526 465480153 /nfs/dbraw/zinc/48/01/53/465480153.db2.gz HVQCHOWNJWTQGG-CYBMUJFWSA-N 1 2 334.307 2.320 20 5 EEBDLO COc1cc([N+](=O)[O-])c(C(=O)NCc2[nH]c[nH+]c2C)cc1SC ZINC000266949535 464882286 /nfs/dbraw/zinc/88/22/86/464882286.db2.gz DXDKUXHHKSYLBO-UHFFFAOYSA-N 1 2 336.373 2.287 20 5 EEBDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000295779790 464962511 /nfs/dbraw/zinc/96/25/11/464962511.db2.gz ZBCFCVMFNOLLHQ-LBPRGKRZSA-N 1 2 325.340 2.397 20 5 EEBDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000295779790 464962513 /nfs/dbraw/zinc/96/25/13/464962513.db2.gz ZBCFCVMFNOLLHQ-LBPRGKRZSA-N 1 2 325.340 2.397 20 5 EEBDLO C[N@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000192638946 464965752 /nfs/dbraw/zinc/96/57/52/464965752.db2.gz ZHKPHFOKYXDDPD-UHFFFAOYSA-N 1 2 342.355 2.375 20 5 EEBDLO C[N@@H+](CC(=O)NC(=O)Nc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000192638946 464965755 /nfs/dbraw/zinc/96/57/55/464965755.db2.gz 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C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346166167 465953577 /nfs/dbraw/zinc/95/35/77/465953577.db2.gz FEQSDRUJUJQTPH-OBJOEFQTSA-N 1 2 333.388 2.103 20 5 EEBDLO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346166167 465953586 /nfs/dbraw/zinc/95/35/86/465953586.db2.gz FEQSDRUJUJQTPH-OBJOEFQTSA-N 1 2 333.388 2.103 20 5 EEBDLO COc1cc[nH+]cc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000353843174 466191825 /nfs/dbraw/zinc/19/18/25/466191825.db2.gz MJVPVNMRPYIWLR-UHFFFAOYSA-N 1 2 333.300 2.268 20 5 EEBDLO CCOc1cc(N2CCN(Cc3[nH]cc(C)[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000600156999 468479400 /nfs/dbraw/zinc/47/94/00/468479400.db2.gz XHTYCJQYUUSHNP-UHFFFAOYSA-N 1 2 345.403 2.347 20 5 EEBDLO Cc1[nH]c2ccc(NC(=O)CCn3cc([N+](=O)[O-])nc3C)cc2[nH+]1 ZINC000354410328 466548439 /nfs/dbraw/zinc/54/84/39/466548439.db2.gz SVCVEWFQOCAGGD-UHFFFAOYSA-N 1 2 328.332 2.313 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F 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O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccc(O)cc3)CC2)c(F)c1 ZINC000601256490 468800719 /nfs/dbraw/zinc/80/07/19/468800719.db2.gz CBIUOLUWYZFBKZ-UHFFFAOYSA-N 1 2 332.335 2.157 20 5 EEBDLO C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000595384141 468834690 /nfs/dbraw/zinc/83/46/90/468834690.db2.gz SKUHPPIZQASQIK-MRVPVSSYSA-N 1 2 344.780 2.021 20 5 EEBDLO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598558807 468912930 /nfs/dbraw/zinc/91/29/30/468912930.db2.gz DLGYNKCRUJPIAC-ZDUSSCGKSA-N 1 2 333.388 2.152 20 5 EEBDLO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598558807 468912933 /nfs/dbraw/zinc/91/29/33/468912933.db2.gz DLGYNKCRUJPIAC-ZDUSSCGKSA-N 1 2 333.388 2.152 20 5 EEBDLO CC(C)(C)[N@@H+]1CC[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596335135 469245957 /nfs/dbraw/zinc/24/59/57/469245957.db2.gz FUOQOLUVJUMAGY-SECBINFHSA-N 1 2 347.462 2.345 20 5 EEBDLO CC(C)(C)[N@H+]1CC[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596335135 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LTOZHVFETKKHPL-IMRBUKKESA-N 1 2 335.429 2.393 20 5 EEBDLO CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4csc([N+](=O)[O-])c4)C[C@H]32)CCC1 ZINC001025946627 683670494 /nfs/dbraw/zinc/67/04/94/683670494.db2.gz LTOZHVFETKKHPL-IMRBUKKESA-N 1 2 335.429 2.393 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1 ZINC001029305410 683942280 /nfs/dbraw/zinc/94/22/80/683942280.db2.gz YAAYBWNSEIVAOR-QKPAOTATSA-N 1 2 349.818 2.180 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1 ZINC001029305410 683942281 /nfs/dbraw/zinc/94/22/81/683942281.db2.gz YAAYBWNSEIVAOR-QKPAOTATSA-N 1 2 349.818 2.180 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)c1C ZINC000890297128 1204262043 /nfs/dbraw/zinc/26/20/43/1204262043.db2.gz HPGGPEJIGFEJQU-CYBMUJFWSA-N 1 2 335.404 2.004 20 5 EEBDLO O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000932718194 1207664431 /nfs/dbraw/zinc/66/44/31/1207664431.db2.gz SWCORSKMEPAUHZ-HZPDHXFCSA-N 1 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CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852051227 1291972650 /nfs/dbraw/zinc/97/26/50/1291972650.db2.gz XADIQPAEPQXXMK-CYBMUJFWSA-N 1 2 325.340 2.444 20 5 EEBDLO Cc1c(C[NH+]2CCN(c3cc(F)ncn3)CC2)cccc1[N+](=O)[O-] ZINC000852130530 1292002866 /nfs/dbraw/zinc/00/28/66/1292002866.db2.gz SIDCQIQWEFRPBK-UHFFFAOYSA-N 1 2 331.351 2.155 20 5 EEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCc2[nH+]c[nH]c2C1 ZINC000859308538 1294386563 /nfs/dbraw/zinc/38/65/63/1294386563.db2.gz NRSUNAJFJHYNEF-SECBINFHSA-N 1 2 349.778 2.357 20 5 EEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCc2[nH+]c[nH]c2C1 ZINC000859308540 1294387215 /nfs/dbraw/zinc/38/72/15/1294387215.db2.gz NRSUNAJFJHYNEF-VIFPVBQESA-N 1 2 349.778 2.357 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(OC4CC[NH2+]CC4)c3nc2cc1C ZINC001217964115 1297539315 /nfs/dbraw/zinc/53/93/15/1297539315.db2.gz IHYMDHRWHGQELB-UHFFFAOYSA-N 1 2 325.372 2.026 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC001101718480 1299752148 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20 5 EEBDLO O[C@H]1CC[N@H+](Cc2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001211789199 780891946 /nfs/dbraw/zinc/89/19/46/780891946.db2.gz JKBYNRSOWKQSNU-AWEZNQCLSA-N 1 2 347.378 2.400 20 5 EEBDLO O[C@H]1CC[N@@H+](Cc2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001211789199 780891958 /nfs/dbraw/zinc/89/19/58/780891958.db2.gz JKBYNRSOWKQSNU-AWEZNQCLSA-N 1 2 347.378 2.400 20 5 EEBDLO Cn1c[nH+]cc1CS(=O)(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000906025628 783645764 /nfs/dbraw/zinc/64/57/64/783645764.db2.gz OPMYVHZQBHFYHK-UHFFFAOYSA-N 1 2 329.765 2.097 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000908283307 785297293 /nfs/dbraw/zinc/29/72/93/785297293.db2.gz ZIDZKDUKNXXXHI-NSHDSACASA-N 1 2 330.344 2.391 20 5 EEBDLO C[C@H](CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000845278567 789705995 /nfs/dbraw/zinc/70/59/95/789705995.db2.gz UPHMTPDXVDPUFM-NEPJUHHUSA-N 1 2 346.343 2.313 20 5 EEBDLO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)CCc1[nH]cc[nH+]1 ZINC001106759808 796470568 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332.408 2.310 20 5 EEBDLO CC(C)[C@@](C)(O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447810631 242319864 /nfs/dbraw/zinc/31/98/64/242319864.db2.gz KIGDFFSOYIBPBO-KRWDZBQOSA-N 1 2 337.420 2.246 20 5 EEBDLO CCN(C[C@H](C)OC)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451895105 243297478 /nfs/dbraw/zinc/29/74/78/243297478.db2.gz XCXSDJPRXACXEC-LBPRGKRZSA-N 1 2 332.360 2.278 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456206115 244181782 /nfs/dbraw/zinc/18/17/82/244181782.db2.gz PWKPUMGRDNRJHD-GASCZTMLSA-N 1 2 347.415 2.113 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456206115 244181786 /nfs/dbraw/zinc/18/17/86/244181786.db2.gz PWKPUMGRDNRJHD-GASCZTMLSA-N 1 2 347.415 2.113 20 5 EEBDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000495985944 247255472 /nfs/dbraw/zinc/25/54/72/247255472.db2.gz YIEXTDVDDJNVSS-AWEZNQCLSA-N 1 2 347.375 2.065 20 5 EEBDLO 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C[C@H]1COCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000287006084 463770276 /nfs/dbraw/zinc/77/02/76/463770276.db2.gz UTWFLNGNECIVLT-JSGCOSHPSA-N 1 2 344.371 2.183 20 5 EEBDLO Cc1c(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000298566649 465433948 /nfs/dbraw/zinc/43/39/48/465433948.db2.gz MYBALHRTVPADMC-CYBMUJFWSA-N 1 2 326.418 2.160 20 5 EEBDLO Cc1c(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000298566649 465433952 /nfs/dbraw/zinc/43/39/52/465433952.db2.gz MYBALHRTVPADMC-CYBMUJFWSA-N 1 2 326.418 2.160 20 5 EEBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000523282183 468386463 /nfs/dbraw/zinc/38/64/63/468386463.db2.gz BDIZKRLUBWQWOZ-LLVKDONJSA-N 1 2 338.327 2.062 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000279255825 464079944 /nfs/dbraw/zinc/07/99/44/464079944.db2.gz HSLJQGLKGNJGPG-CQSZACIVSA-N 1 2 349.431 2.313 20 5 EEBDLO CC(C)c1ccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] 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CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000308684041 466501737 /nfs/dbraw/zinc/50/17/37/466501737.db2.gz UUDMNMPQQBSNPB-UHFFFAOYSA-N 1 2 341.795 2.089 20 5 EEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2cncs2)CC1 ZINC000411768928 466897551 /nfs/dbraw/zinc/89/75/51/466897551.db2.gz JOGVQWKOUQNCBV-UHFFFAOYSA-N 1 2 346.412 2.052 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000411846775 466916634 /nfs/dbraw/zinc/91/66/34/466916634.db2.gz PWDFZGVHDZTKNQ-UHFFFAOYSA-N 1 2 343.387 2.024 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411846775 466916640 /nfs/dbraw/zinc/91/66/40/466916640.db2.gz PWDFZGVHDZTKNQ-UHFFFAOYSA-N 1 2 343.387 2.024 20 5 EEBDLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411933016 466939074 /nfs/dbraw/zinc/93/90/74/466939074.db2.gz GKVCJSGZPJSKNY-RHSMWYFYSA-N 1 2 341.367 2.341 20 5 EEBDLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000411933016 466939077 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345.403 2.612 20 5 EEBDLO C[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000427990274 467191555 /nfs/dbraw/zinc/19/15/55/467191555.db2.gz IDGXTBAMPKGWQJ-MNOVXSKESA-N 1 2 332.335 2.165 20 5 EEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428352906 467224775 /nfs/dbraw/zinc/22/47/75/467224775.db2.gz RKAMHAQWPFFCBQ-LLVKDONJSA-N 1 2 332.385 2.015 20 5 EEBDLO COc1cc(C(=O)Nc2c[nH+]c3n2CCCC3)cc([N+](=O)[O-])c1OC ZINC000452331192 467348932 /nfs/dbraw/zinc/34/89/32/467348932.db2.gz CMGPUZBYPSEBCU-UHFFFAOYSA-N 1 2 346.343 2.397 20 5 EEBDLO Cc1cc(OCC(=O)Nc2c[nH+]c3n2CCCC3)ccc1[N+](=O)[O-] ZINC000452332980 467348970 /nfs/dbraw/zinc/34/89/70/467348970.db2.gz OIWNGTUWWGZODC-UHFFFAOYSA-N 1 2 330.344 2.454 20 5 EEBDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452840357 467430344 /nfs/dbraw/zinc/43/03/44/467430344.db2.gz GJGNZSHVBPGMKI-NVXWUHKLSA-N 1 2 347.415 2.022 20 5 EEBDLO 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327.812 2.401 20 5 EEBDLO C[C@H]1C[N@@H+](CCN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000191559502 239184171 /nfs/dbraw/zinc/18/41/71/239184171.db2.gz DBNGASDMCDCNFL-LBPRGKRZSA-N 1 2 327.812 2.401 20 5 EEBDLO C[C@H]1CN(CC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000191559502 239184175 /nfs/dbraw/zinc/18/41/75/239184175.db2.gz DBNGASDMCDCNFL-LBPRGKRZSA-N 1 2 327.812 2.401 20 5 EEBDLO C[C@H]1CN(CC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000191559502 239184179 /nfs/dbraw/zinc/18/41/79/239184179.db2.gz DBNGASDMCDCNFL-LBPRGKRZSA-N 1 2 327.812 2.401 20 5 EEBDLO C[C@@H]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2[nH+]ccn21 ZINC000456402554 244245915 /nfs/dbraw/zinc/24/59/15/244245915.db2.gz WIITZXYJEDTSJA-PRHODGIISA-N 1 2 326.316 2.103 20 5 EEBDLO COc1cc(OCC(=O)NCc2c[nH+]c(C)cc2C)ccc1[N+](=O)[O-] ZINC000456858471 244372873 /nfs/dbraw/zinc/37/28/73/244372873.db2.gz LVBIUOJHZIXILF-UHFFFAOYSA-N 1 2 345.355 2.310 20 5 EEBDLO Nc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000264126827 246089847 /nfs/dbraw/zinc/08/98/47/246089847.db2.gz SJRYKLVLDQRYQR-UHFFFAOYSA-N 1 2 329.360 2.194 20 5 EEBDLO O=C(NCCCNc1cccc[nH+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000266481060 248322988 /nfs/dbraw/zinc/32/29/88/248322988.db2.gz HQWHLPWOJQNIMR-UHFFFAOYSA-N 1 2 343.387 2.334 20 5 EEBDLO O=C(C[N@H+]1CCCC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267894636 256095266 /nfs/dbraw/zinc/09/52/66/256095266.db2.gz VUMSUJZIHUEJMO-LLVKDONJSA-N 1 2 327.768 2.034 20 5 EEBDLO O=C(C[N@@H+]1CCCC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000267894636 256095268 /nfs/dbraw/zinc/09/52/68/256095268.db2.gz VUMSUJZIHUEJMO-LLVKDONJSA-N 1 2 327.768 2.034 20 5 EEBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000270860768 256180744 /nfs/dbraw/zinc/18/07/44/256180744.db2.gz ICMZHHUOLNKPIF-GPCCPHFNSA-N 1 2 341.795 2.278 20 5 EEBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1O ZINC000270860768 256180745 /nfs/dbraw/zinc/18/07/45/256180745.db2.gz ICMZHHUOLNKPIF-GPCCPHFNSA-N 1 2 341.795 2.278 20 5 EEBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCNc1cccc[nH+]1 ZINC000359448812 153369109 /nfs/dbraw/zinc/36/91/09/153369109.db2.gz DJMAGHWFUJUSDW-UHFFFAOYSA-N 1 2 329.360 2.264 20 5 EEBDLO Cc1ncsc1C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000066565715 159000333 /nfs/dbraw/zinc/00/03/33/159000333.db2.gz PWLGELJOAAJVBJ-UHFFFAOYSA-N 1 2 334.401 2.455 20 5 EEBDLO Cc1ncsc1C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000066565715 159000335 /nfs/dbraw/zinc/00/03/35/159000335.db2.gz PWLGELJOAAJVBJ-UHFFFAOYSA-N 1 2 334.401 2.455 20 5 EEBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000343362759 161128526 /nfs/dbraw/zinc/12/85/26/161128526.db2.gz UEGDQOFANDVPOU-UHFFFAOYSA-N 1 2 339.311 2.193 20 5 EEBDLO CC[N@@H+]1C[C@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000345974131 161346690 /nfs/dbraw/zinc/34/66/90/161346690.db2.gz XRJIAGGZALTGIK-MNOVXSKESA-N 1 2 331.376 2.026 20 5 EEBDLO CC[N@H+]1C[C@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000345974131 161346691 /nfs/dbraw/zinc/34/66/91/161346691.db2.gz XRJIAGGZALTGIK-MNOVXSKESA-N 1 2 331.376 2.026 20 5 EEBDLO CC[N@@H+]1C[C@@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000345974130 161346821 /nfs/dbraw/zinc/34/68/21/161346821.db2.gz XRJIAGGZALTGIK-GHMZBOCLSA-N 1 2 331.376 2.026 20 5 EEBDLO CC[N@H+]1C[C@@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000345974130 161346822 /nfs/dbraw/zinc/34/68/22/161346822.db2.gz XRJIAGGZALTGIK-GHMZBOCLSA-N 1 2 331.376 2.026 20 5 EEBDLO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N(C)C ZINC000359821929 164178083 /nfs/dbraw/zinc/17/80/83/164178083.db2.gz YBNYQDNNSBDRFL-SNVBAGLBSA-N 1 2 334.401 2.285 20 5 EEBDLO CCOC(=O)C[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000359873284 164189207 /nfs/dbraw/zinc/18/92/07/164189207.db2.gz HPQQLEPLQGIOPY-UHFFFAOYSA-N 1 2 339.367 2.118 20 5 EEBDLO CCOC(=O)C[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000359873284 164189209 /nfs/dbraw/zinc/18/92/09/164189209.db2.gz HPQQLEPLQGIOPY-UHFFFAOYSA-N 1 2 339.367 2.118 20 5 EEBDLO O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000246829763 292619429 /nfs/dbraw/zinc/61/94/29/292619429.db2.gz SMBZTRVPWFYFKJ-MQMHXKEQSA-N 1 2 344.371 2.061 20 5 EEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282731853 269506712 /nfs/dbraw/zinc/50/67/12/269506712.db2.gz XDRUGLFBVYXWCE-CYBMUJFWSA-N 1 2 331.376 2.064 20 5 EEBDLO CCCN(CC(=O)NC)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270280740 274121077 /nfs/dbraw/zinc/12/10/77/274121077.db2.gz XZYCQFOUHRUBCU-UHFFFAOYSA-N 1 2 343.387 2.323 20 5 EEBDLO CCC(=O)c1ccc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286488861 274877075 /nfs/dbraw/zinc/87/70/75/274877075.db2.gz XDYKXEWGOGBLBG-ZFWWWQNUSA-N 1 2 347.415 2.487 20 5 EEBDLO O=[N+]([O-])c1cnc(N2CCc3c([nH+]cn3-c3ccc(F)cc3)C2)nc1 ZINC000354604718 275041196 /nfs/dbraw/zinc/04/11/96/275041196.db2.gz NTIUWQWWUCXKOK-UHFFFAOYSA-N 1 2 340.318 2.272 20 5 EEBDLO Cc1nc(N(C)Cc2[nH+]ccn2CC(F)(F)F)ncc1[N+](=O)[O-] ZINC000296918552 294101464 /nfs/dbraw/zinc/10/14/64/294101464.db2.gz APRVCABOPGVUSR-UHFFFAOYSA-N 1 2 330.270 2.088 20 5 EEBDLO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000171292062 311404766 /nfs/dbraw/zinc/40/47/66/311404766.db2.gz MQOOYJMZQJHUDP-UHFFFAOYSA-N 1 2 346.734 2.269 20 5 EEBDLO O=C(C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000330420043 311751060 /nfs/dbraw/zinc/75/10/60/311751060.db2.gz GIWFNDIHTFGLTD-UHFFFAOYSA-N 1 2 333.388 2.135 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000332450165 312009520 /nfs/dbraw/zinc/00/95/20/312009520.db2.gz TXDUHAAHFXTAAU-WFASDCNBSA-N 1 2 344.371 2.287 20 5 EEBDLO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CS1 ZINC000412614310 312695501 /nfs/dbraw/zinc/69/55/01/312695501.db2.gz QGSNDASVOATBAU-PWSUYJOCSA-N 1 2 332.385 2.404 20 5 EEBDLO NC(=O)c1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000439103652 315068022 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O=[N+]([O-])c1ccc(NCC[NH+]2CCOCC2)nc1-c1ccccc1 ZINC000090065756 462771990 /nfs/dbraw/zinc/77/19/90/462771990.db2.gz FOLRJJSNQMAAHO-UHFFFAOYSA-N 1 2 328.372 2.401 20 5 EEBDLO CCc1cc(NCC2(CO)COC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000120497858 463005377 /nfs/dbraw/zinc/00/53/77/463005377.db2.gz QGKCKTGVDDKSOW-UHFFFAOYSA-N 1 2 344.371 2.035 20 5 EEBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000051203837 463026125 /nfs/dbraw/zinc/02/61/25/463026125.db2.gz HZSSLCGPWJGEIK-QPJJXVBHSA-N 1 2 340.383 2.394 20 5 EEBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc2[nH+]ccn2c1 ZINC000068397091 463130903 /nfs/dbraw/zinc/13/09/03/463130903.db2.gz RZNJKNPLYOYSRX-UHFFFAOYSA-N 1 2 325.328 2.084 20 5 EEBDLO C[C@H](N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000137070659 463275950 /nfs/dbraw/zinc/27/59/50/463275950.db2.gz LBGADAWMUCMNQC-SMDDNHRTSA-N 1 2 347.337 2.197 20 5 EEBDLO Cn1cc[nH+]c1[C@H](Nc1c([N+](=O)[O-])ncn1C)c1cccc(F)c1 ZINC000138462157 463309221 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ZINC001100756091 1259219739 /nfs/dbraw/zinc/21/97/39/1259219739.db2.gz AYWJEMCJVPRVDO-UHFFFAOYSA-N 1 2 345.403 2.202 20 5 EEBDLO CCN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ccc(C)cc1[N+](=O)[O-] ZINC001100756091 1259219749 /nfs/dbraw/zinc/21/97/49/1259219749.db2.gz AYWJEMCJVPRVDO-UHFFFAOYSA-N 1 2 345.403 2.202 20 5 EEBDLO CCOC(=O)c1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC001218011828 1297548098 /nfs/dbraw/zinc/54/80/98/1297548098.db2.gz XNBYCOYDQFZWLG-LBPRGKRZSA-N 1 2 330.287 2.148 20 5 EEBDLO CCCSc1nc(O[C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218407433 1297654977 /nfs/dbraw/zinc/65/49/77/1297654977.db2.gz PXJSWUJHSWQMBZ-IUCAKERBSA-N 1 2 328.394 2.112 20 5 EEBDLO Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@H]([NH3+])C(=O)OC(C)(C)C)n1 ZINC001162850054 1320973690 /nfs/dbraw/zinc/97/36/90/1320973690.db2.gz SCMUPVIHASXUGN-VIFPVBQESA-N 1 2 330.772 2.033 20 5 EEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000840164719 1315314156 /nfs/dbraw/zinc/31/41/56/1315314156.db2.gz UCKOSGVQRVHIIC-NSHDSACASA-N 1 2 348.325 2.430 20 5 EEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000840164719 1315314161 /nfs/dbraw/zinc/31/41/61/1315314161.db2.gz UCKOSGVQRVHIIC-NSHDSACASA-N 1 2 348.325 2.430 20 5 EEBDLO Cc1cc([N+](=O)[O-])c(NCC2([NH+]3CCCC3)COC2)nc1Cl ZINC001157654536 1318772861 /nfs/dbraw/zinc/77/28/61/1318772861.db2.gz DWRGAQQBUSYTNS-UHFFFAOYSA-N 1 2 326.784 2.228 20 5 EEBDLO Cc1nc(N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)ncc1[N+](=O)[O-] ZINC001158628403 1319343827 /nfs/dbraw/zinc/34/38/27/1319343827.db2.gz KINHWAZVCMVGIL-LBPRGKRZSA-N 1 2 327.335 2.003 20 5 EEBDLO C[C@@H]1C[NH+](C2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C2)C[C@@H](C)O1 ZINC001158719666 1319398112 /nfs/dbraw/zinc/39/81/12/1319398112.db2.gz RKMXPZIOSDZXHZ-CHWSQXEVSA-N 1 2 342.399 2.441 20 5 EEBDLO COC(=O)c1ccc([N+](=O)[O-])c(CSc2nc(N)cc(C)[nH+]2)c1 ZINC001307274819 1331522166 /nfs/dbraw/zinc/52/21/66/1331522166.db2.gz UZHSGWANVSALQJ-UHFFFAOYSA-N 1 2 334.357 2.354 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001336024059 1336467076 /nfs/dbraw/zinc/46/70/76/1336467076.db2.gz GQIMHFSAZTYFJU-AWEZNQCLSA-N 1 2 348.790 2.373 20 5 EEBDLO CCN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC001100509978 1338457392 /nfs/dbraw/zinc/45/73/92/1338457392.db2.gz JIXODHJNRJLBEI-UHFFFAOYSA-N 1 2 349.366 2.032 20 5 EEBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000859797236 1369445426 /nfs/dbraw/zinc/44/54/26/1369445426.db2.gz SGEOBJHFUXLVPB-QGZVFWFLSA-N 1 2 340.383 2.354 20 5 EEBDLO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000859797236 1369445429 /nfs/dbraw/zinc/44/54/29/1369445429.db2.gz SGEOBJHFUXLVPB-QGZVFWFLSA-N 1 2 340.383 2.354 20 5 EEBDLO CCCOC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835387631 1372620552 /nfs/dbraw/zinc/62/05/52/1372620552.db2.gz CNZLKJOQUXTUSL-NSHDSACASA-N 1 2 347.327 2.279 20 5 EEBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)cc1 ZINC000840234707 782447402 /nfs/dbraw/zinc/44/74/02/782447402.db2.gz TUYXOCHJTIBAAU-UHFFFAOYSA-N 1 2 340.387 2.286 20 5 EEBDLO O=[N+]([O-])c1ccc(N2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)cc1 ZINC000840234707 782447412 /nfs/dbraw/zinc/44/74/12/782447412.db2.gz TUYXOCHJTIBAAU-UHFFFAOYSA-N 1 2 340.387 2.286 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001091410827 790631355 /nfs/dbraw/zinc/63/13/55/790631355.db2.gz DXEBPAKESIJNOR-BETUJISGSA-N 1 2 343.387 2.176 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NC/C=C/CNc1cccc(F)c1[N+](=O)[O-] ZINC001107285483 786721441 /nfs/dbraw/zinc/72/14/41/786721441.db2.gz OQOAQNMGPSUOEC-NSCUHMNNSA-N 1 2 347.350 2.092 20 5 EEBDLO O=C(CCn1cc[nH+]c1)NC/C=C\CNc1cccc(F)c1[N+](=O)[O-] ZINC001107445559 787259388 /nfs/dbraw/zinc/25/93/88/787259388.db2.gz KARVCXJJDREKKU-UPHRSURJSA-N 1 2 347.350 2.105 20 5 EEBDLO O=C(CCn1cc[nH+]c1)NC/C=C\CNc1ccc([N+](=O)[O-])cc1F ZINC001107446265 787260269 /nfs/dbraw/zinc/26/02/69/787260269.db2.gz ZRZIYZFKMJKGDA-UPHRSURJSA-N 1 2 347.350 2.105 20 5 EEBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825394231 788610213 /nfs/dbraw/zinc/61/02/13/788610213.db2.gz VSSFJNSTOQJAIY-LSDHHAIUSA-N 1 2 346.387 2.056 20 5 EEBDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235446 797313091 /nfs/dbraw/zinc/31/30/91/797313091.db2.gz XDVNOIPXCLKBOT-ZFZWDLNGSA-N 1 2 348.399 2.178 20 5 EEBDLO COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)[N@H+]2[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235446 797313099 /nfs/dbraw/zinc/31/30/99/797313099.db2.gz XDVNOIPXCLKBOT-ZFZWDLNGSA-N 1 2 348.399 2.178 20 5 EEBDLO COc1ccc(C[C@@H](C)[NH+]2CC(N3CC[C@H](F)C3)C2)c([N+](=O)[O-])c1 ZINC001170348012 809918252 /nfs/dbraw/zinc/91/82/52/809918252.db2.gz URQXNMPQHVUOMA-OCCSQVGLSA-N 1 2 337.395 2.262 20 5 EEBDLO COc1ccc(C[C@@H](C)N2CC([N@@H+]3CC[C@H](F)C3)C2)c([N+](=O)[O-])c1 ZINC001170348012 809918258 /nfs/dbraw/zinc/91/82/58/809918258.db2.gz URQXNMPQHVUOMA-OCCSQVGLSA-N 1 2 337.395 2.262 20 5 EEBDLO COc1ccc(C[C@@H](C)N2CC([N@H+]3CC[C@H](F)C3)C2)c([N+](=O)[O-])c1 ZINC001170348012 809918262 /nfs/dbraw/zinc/91/82/62/809918262.db2.gz URQXNMPQHVUOMA-OCCSQVGLSA-N 1 2 337.395 2.262 20 5 EEBDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000055816122 214342908 /nfs/dbraw/zinc/34/29/08/214342908.db2.gz GAMNKVUGBVONAJ-UHFFFAOYSA-N 1 2 331.328 2.272 20 5 EEBDLO O=[N+]([O-])c1c(N2CC[NH+](Cc3cccnc3)CC2)nc2sccn21 ZINC000022317757 212289922 /nfs/dbraw/zinc/28/99/22/212289922.db2.gz VLZHWYIORBHNHS-UHFFFAOYSA-N 1 2 344.400 2.021 20 5 EEBDLO NC(=O)c1cccc(NCc2ccccc2-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000439174508 242068190 /nfs/dbraw/zinc/06/81/90/242068190.db2.gz WWBVXASGBJHMSY-UHFFFAOYSA-N 1 2 337.339 2.492 20 5 EEBDLO C[C@H]1C[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000455458985 244002420 /nfs/dbraw/zinc/00/24/20/244002420.db2.gz ADSPQMNXALDHKU-FZMZJTMJSA-N 1 2 344.375 2.208 20 5 EEBDLO Cc1cc(C)c(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c[nH+]1 ZINC000456826315 244366341 /nfs/dbraw/zinc/36/63/41/244366341.db2.gz AONBKXXAWZVSMP-UHFFFAOYSA-N 1 2 329.312 2.265 20 5 EEBDLO Cc1noc(C2C[NH+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C2)n1 ZINC000459607813 245186976 /nfs/dbraw/zinc/18/69/76/245186976.db2.gz PALNPVHICLOYJJ-UHFFFAOYSA-N 1 2 340.286 2.487 20 5 EEBDLO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000110998127 220090499 /nfs/dbraw/zinc/09/04/99/220090499.db2.gz CGUHSALMRXERIE-GFCCVEGCSA-N 1 2 331.376 2.075 20 5 EEBDLO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000110998127 220090502 /nfs/dbraw/zinc/09/05/02/220090502.db2.gz CGUHSALMRXERIE-GFCCVEGCSA-N 1 2 331.376 2.075 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000266167550 248144954 /nfs/dbraw/zinc/14/49/54/248144954.db2.gz YKTSYVNEXBPWAH-JTQLQIEISA-N 1 2 331.319 2.329 20 5 EEBDLO O=[N+]([O-])c1ccc2c(c1N1CCC([C@@H](O)c3[nH]cc[nH+]3)CC1)CCN2 ZINC000369083837 285146148 /nfs/dbraw/zinc/14/61/48/285146148.db2.gz KEIYALYAAPLCGA-MRXNPFEDSA-N 1 2 343.387 2.236 20 5 EEBDLO Cc1ccc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000274014365 256346223 /nfs/dbraw/zinc/34/62/23/256346223.db2.gz ZKPZKOJSEVQJOR-AWEZNQCLSA-N 1 2 330.344 2.489 20 5 EEBDLO Cc1ccc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cc1[N+](=O)[O-] ZINC000274014365 256346224 /nfs/dbraw/zinc/34/62/24/256346224.db2.gz ZKPZKOJSEVQJOR-AWEZNQCLSA-N 1 2 330.344 2.489 20 5 EEBDLO O=C(NCCc1cn2ccccc2[nH+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000056459205 292143993 /nfs/dbraw/zinc/14/39/93/292143993.db2.gz DPUIOFYYENYUCX-UHFFFAOYSA-N 1 2 339.355 2.284 20 5 EEBDLO O=C(c1ccc2[nH+]ccn2c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188458145 160123835 /nfs/dbraw/zinc/12/38/35/160123835.db2.gz WHFHJTBHFHHJDN-UHFFFAOYSA-N 1 2 338.323 2.146 20 5 EEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000341720188 161008560 /nfs/dbraw/zinc/00/85/60/161008560.db2.gz OYAHVPLHZAUSBJ-CYBMUJFWSA-N 1 2 340.343 2.086 20 5 EEBDLO CCc1ccc(C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000345398092 161298585 /nfs/dbraw/zinc/29/85/85/161298585.db2.gz XTJWWHAFPNHSOB-ZIAGYGMSSA-N 1 2 349.431 2.338 20 5 EEBDLO Cc1c(C[NH2+]Cc2cn(Cc3cccnc3)nn2)cccc1[N+](=O)[O-] ZINC000359788838 164172169 /nfs/dbraw/zinc/17/21/69/164172169.db2.gz AXOBICGXEDDBTB-UHFFFAOYSA-N 1 2 338.371 2.228 20 5 EEBDLO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000360700013 164365622 /nfs/dbraw/zinc/36/56/22/164365622.db2.gz ARSYWIMTBCYTOQ-UHFFFAOYSA-N 1 2 340.343 2.345 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368976033 166163852 /nfs/dbraw/zinc/16/38/52/166163852.db2.gz SVMBCNABGQHDLF-SGIREYDYSA-N 1 2 333.388 2.079 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368976033 166163854 /nfs/dbraw/zinc/16/38/54/166163854.db2.gz SVMBCNABGQHDLF-SGIREYDYSA-N 1 2 333.388 2.079 20 5 EEBDLO COc1ccc(-c2nc([C@@H]3C[N@@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000272688886 269009042 /nfs/dbraw/zinc/00/90/42/269009042.db2.gz TZRKCSBJEPZVRI-AWEZNQCLSA-N 1 2 348.359 2.435 20 5 EEBDLO COc1ccc(-c2nc([C@@H]3C[N@H+](C(C)C)CCO3)no2)cc1[N+](=O)[O-] ZINC000272688886 269009044 /nfs/dbraw/zinc/00/90/44/269009044.db2.gz TZRKCSBJEPZVRI-AWEZNQCLSA-N 1 2 348.359 2.435 20 5 EEBDLO Nc1c(F)c(N2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000274709903 269044877 /nfs/dbraw/zinc/04/48/77/269044877.db2.gz XKMSSWABNSOBLA-UHFFFAOYSA-N 1 2 331.351 2.033 20 5 EEBDLO CC(C)(C)n1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)nn1 ZINC000278622971 269236783 /nfs/dbraw/zinc/23/67/83/269236783.db2.gz HKEGYWQNUURAPL-UHFFFAOYSA-N 1 2 329.364 2.107 20 5 EEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](OCCO)C2)c1 ZINC000179580872 274003649 /nfs/dbraw/zinc/00/36/49/274003649.db2.gz KLWPFYLBEHGSPP-ZDUSSCGKSA-N 1 2 346.330 2.170 20 5 EEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000179580872 274003650 /nfs/dbraw/zinc/00/36/50/274003650.db2.gz KLWPFYLBEHGSPP-ZDUSSCGKSA-N 1 2 346.330 2.170 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000289151706 275101450 /nfs/dbraw/zinc/10/14/50/275101450.db2.gz TXKAAMKWGXATAW-AWEZNQCLSA-N 1 2 346.343 2.189 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000289151706 275101451 /nfs/dbraw/zinc/10/14/51/275101451.db2.gz TXKAAMKWGXATAW-AWEZNQCLSA-N 1 2 346.343 2.189 20 5 EEBDLO CC(C)N1CCC[C@H]([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1=O ZINC000177672725 277605045 /nfs/dbraw/zinc/60/50/45/277605045.db2.gz CZSCEZOPNYHEJP-KRWDZBQOSA-N 1 2 346.431 2.116 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296045769 293879240 /nfs/dbraw/zinc/87/92/40/293879240.db2.gz YVVUGUZAXHWZES-OAHLLOKOSA-N 1 2 344.371 2.317 20 5 EEBDLO O=[N+]([O-])c1ccc(OC2C[NH+](Cc3c[nH]c4nccnc34)C2)cc1 ZINC000297459403 294250208 /nfs/dbraw/zinc/25/02/08/294250208.db2.gz RIIHGYXABZBWFV-UHFFFAOYSA-N 1 2 325.328 2.129 20 5 EEBDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000377795301 295256762 /nfs/dbraw/zinc/25/67/62/295256762.db2.gz AVTLHGQCUQNJMN-UHFFFAOYSA-N 1 2 328.372 2.384 20 5 EEBDLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000377795301 295256764 /nfs/dbraw/zinc/25/67/64/295256764.db2.gz AVTLHGQCUQNJMN-UHFFFAOYSA-N 1 2 328.372 2.384 20 5 EEBDLO C[C@H](c1cccnc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413132095 312798230 /nfs/dbraw/zinc/79/82/30/312798230.db2.gz BJKIFIOCSHPWEA-GFCCVEGCSA-N 1 2 331.351 2.407 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000421536625 314116011 /nfs/dbraw/zinc/11/60/11/314116011.db2.gz DJGITULBYZESHS-LSDHHAIUSA-N 1 2 347.415 2.147 20 5 EEBDLO CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000440502778 315134770 /nfs/dbraw/zinc/13/47/70/315134770.db2.gz SESGZAPAXFIFHO-WDEREUQCSA-N 1 2 332.364 2.183 20 5 EEBDLO CCc1nnc([C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000440502778 315134773 /nfs/dbraw/zinc/13/47/73/315134773.db2.gz SESGZAPAXFIFHO-WDEREUQCSA-N 1 2 332.364 2.183 20 5 EEBDLO Cc1nccnc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000440525919 315136276 /nfs/dbraw/zinc/13/62/76/315136276.db2.gz KMNLVWGQPRBPLN-UHFFFAOYSA-N 1 2 331.351 2.155 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000523736404 317001617 /nfs/dbraw/zinc/00/16/17/317001617.db2.gz BTGCXPRLLOIZCM-UHFFFAOYSA-N 1 2 325.328 2.049 20 5 EEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000545908612 318231916 /nfs/dbraw/zinc/23/19/16/318231916.db2.gz XBQFIERUDGLVBQ-GOEBONIOSA-N 1 2 349.431 2.000 20 5 EEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000545908612 318231917 /nfs/dbraw/zinc/23/19/17/318231917.db2.gz XBQFIERUDGLVBQ-GOEBONIOSA-N 1 2 349.431 2.000 20 5 EEBDLO COc1ccc(CC(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000568598264 319501617 /nfs/dbraw/zinc/50/16/17/319501617.db2.gz YXUYWSVMKYFNJB-JQWIXIFHSA-N 1 2 330.344 2.165 20 5 EEBDLO Cc1[nH+]c2cc(CNC(=O)c3c[nH]nc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000575346621 320102362 /nfs/dbraw/zinc/10/23/62/320102362.db2.gz SFVUAIOVWWNMBS-UHFFFAOYSA-N 1 2 340.343 2.241 20 5 EEBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000347626833 465132398 /nfs/dbraw/zinc/13/23/98/465132398.db2.gz UPHHFFYVPJXZJJ-CQSZACIVSA-N 1 2 341.795 2.089 20 5 EEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCO1 ZINC000347626833 465132407 /nfs/dbraw/zinc/13/24/07/465132407.db2.gz UPHHFFYVPJXZJJ-CQSZACIVSA-N 1 2 341.795 2.089 20 5 EEBDLO CN(Cc1[nH+]ccn1C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000062330402 462613981 /nfs/dbraw/zinc/61/39/81/462613981.db2.gz QWYVYXBPMLPFHW-UHFFFAOYSA-N 1 2 326.154 2.122 20 5 EEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOC[C@@H]1C1CC1 ZINC000089974385 462759309 /nfs/dbraw/zinc/75/93/09/462759309.db2.gz MYPKIBMEHOPUPT-MRXNPFEDSA-N 1 2 342.355 2.032 20 5 EEBDLO Cc1ccc(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000590754510 468327575 /nfs/dbraw/zinc/32/75/75/468327575.db2.gz KDXPCSGMPQDGLF-UHFFFAOYSA-N 1 2 328.372 2.393 20 5 EEBDLO Cc1ccc(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000590754510 468327580 /nfs/dbraw/zinc/32/75/80/468327580.db2.gz KDXPCSGMPQDGLF-UHFFFAOYSA-N 1 2 328.372 2.393 20 5 EEBDLO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000021822764 463041028 /nfs/dbraw/zinc/04/10/28/463041028.db2.gz RQFYWXNBRLSMRZ-GFCCVEGCSA-N 1 2 349.387 2.197 20 5 EEBDLO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000134853971 463087871 /nfs/dbraw/zinc/08/78/71/463087871.db2.gz JCBMWLWCLXUMFN-GHMZBOCLSA-N 1 2 341.795 2.087 20 5 EEBDLO Cc1cccc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000026060584 463148368 /nfs/dbraw/zinc/14/83/68/463148368.db2.gz KWDRUZWDKTWNMO-OAHLLOKOSA-N 1 2 349.431 2.380 20 5 EEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1cccc(F)c1 ZINC000053339993 463151049 /nfs/dbraw/zinc/15/10/49/463151049.db2.gz QLCWZNKXIPRKOA-CQSZACIVSA-N 1 2 343.318 2.315 20 5 EEBDLO Cc1n[nH]c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000158342532 463227537 /nfs/dbraw/zinc/22/75/37/463227537.db2.gz HRYPAMCESGKKNT-NSHDSACASA-N 1 2 349.416 2.207 20 5 EEBDLO Cc1[nH]nc(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000158342532 463227540 /nfs/dbraw/zinc/22/75/40/463227540.db2.gz HRYPAMCESGKKNT-NSHDSACASA-N 1 2 349.416 2.207 20 5 EEBDLO C[C@@H]1C[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000097083923 463318087 /nfs/dbraw/zinc/31/80/87/463318087.db2.gz QEJRPYBHBPBWGZ-BDAKNGLRSA-N 1 2 345.446 2.097 20 5 EEBDLO C[C@@H]1C[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000097083923 463318088 /nfs/dbraw/zinc/31/80/88/463318088.db2.gz QEJRPYBHBPBWGZ-BDAKNGLRSA-N 1 2 345.446 2.097 20 5 EEBDLO CC(=O)N1CC[NH+](CCNc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000080571005 463331714 /nfs/dbraw/zinc/33/17/14/463331714.db2.gz BAXPPMXXIVPLKZ-UHFFFAOYSA-N 1 2 340.811 2.133 20 5 EEBDLO COC(=O)[C@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000081152879 463399053 /nfs/dbraw/zinc/39/90/53/463399053.db2.gz QKZKFCWGXCRIHI-QGZVFWFLSA-N 1 2 349.387 2.163 20 5 EEBDLO COC(=O)[C@@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000081152290 463399105 /nfs/dbraw/zinc/39/91/05/463399105.db2.gz VDKRBUKAUPNERQ-KRWDZBQOSA-N 1 2 349.387 2.163 20 5 EEBDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000081521860 463451645 /nfs/dbraw/zinc/45/16/45/463451645.db2.gz PXXSFXDCYWYWSO-UHFFFAOYSA-N 1 2 339.355 2.292 20 5 EEBDLO Cc1cc(NC[C@@H]2COCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057827785 463522822 /nfs/dbraw/zinc/52/28/22/463522822.db2.gz NCOJKYJFJPVQKA-CQSZACIVSA-N 1 2 330.344 2.188 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](OC)C1 ZINC000170821092 463712155 /nfs/dbraw/zinc/71/21/55/463712155.db2.gz LSLOPKUXVJTAGT-AAEUAGOBSA-N 1 2 337.376 2.041 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](OC)C1 ZINC000170821092 463712162 /nfs/dbraw/zinc/71/21/62/463712162.db2.gz LSLOPKUXVJTAGT-AAEUAGOBSA-N 1 2 337.376 2.041 20 5 EEBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268500296 463768226 /nfs/dbraw/zinc/76/82/26/463768226.db2.gz QAVIOGUWLMKUAX-UHFFFAOYSA-N 1 2 331.376 2.225 20 5 EEBDLO CCOc1cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000276936725 463811772 /nfs/dbraw/zinc/81/17/72/463811772.db2.gz RPMYMWMLUNYTRZ-OAHLLOKOSA-N 1 2 333.388 2.237 20 5 EEBDLO CCOc1cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000276936725 463811779 /nfs/dbraw/zinc/81/17/79/463811779.db2.gz RPMYMWMLUNYTRZ-OAHLLOKOSA-N 1 2 333.388 2.237 20 5 EEBDLO Cc1ccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000194725004 463917430 /nfs/dbraw/zinc/91/74/30/463917430.db2.gz XCTXTKJVHAYGIA-OKILXGFUSA-N 1 2 335.404 2.084 20 5 EEBDLO Cc1ccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000194725004 463917435 /nfs/dbraw/zinc/91/74/35/463917435.db2.gz XCTXTKJVHAYGIA-OKILXGFUSA-N 1 2 335.404 2.084 20 5 EEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCn2cc[nH+]c2C1 ZINC000186019936 463922719 /nfs/dbraw/zinc/92/27/19/463922719.db2.gz ZNZQUEKKXUABQS-SNVBAGLBSA-N 1 2 334.763 2.324 20 5 EEBDLO CC(C)c1n[nH]c(C(=O)NCCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000269439882 463984028 /nfs/dbraw/zinc/98/40/28/463984028.db2.gz PAGRCVWNLVWTPB-UHFFFAOYSA-N 1 2 346.391 2.458 20 5 EEBDLO Cc1csc(N2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000269701083 464062438 /nfs/dbraw/zinc/06/24/38/464062438.db2.gz YJOWDGCDUVJNLS-HNNXBMFYSA-N 1 2 348.428 2.215 20 5 EEBDLO CCc1nn(C)cc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000179559901 464158175 /nfs/dbraw/zinc/15/81/75/464158175.db2.gz YEUYYWOYJFLPEV-UHFFFAOYSA-N 1 2 329.404 2.213 20 5 EEBDLO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)CC1 ZINC000270238666 464229547 /nfs/dbraw/zinc/22/95/47/464229547.db2.gz NOHMQDAHYBJTDK-CQSZACIVSA-N 1 2 333.388 2.104 20 5 EEBDLO Cc1nc(C(C)(C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)no1 ZINC000264380482 464304590 /nfs/dbraw/zinc/30/45/90/464304590.db2.gz XTPYOERJZUEZJB-UHFFFAOYSA-N 1 2 347.375 2.448 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)Cc2[nH+]ccn2C)c1 ZINC000281270068 464395104 /nfs/dbraw/zinc/39/51/04/464395104.db2.gz PPGMWQHAOZBWPZ-UHFFFAOYSA-N 1 2 332.360 2.064 20 5 EEBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000281828904 464600829 /nfs/dbraw/zinc/60/08/29/464600829.db2.gz OSRWXOGTEZDFEF-CQSZACIVSA-N 1 2 346.391 2.152 20 5 EEBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](c2ccccc2)CO1 ZINC000246602690 464604585 /nfs/dbraw/zinc/60/45/85/464604585.db2.gz OYUNNJOIJYZNGK-WMLDXEAASA-N 1 2 343.383 2.219 20 5 EEBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](c2ccccc2)CO1 ZINC000246602690 464604592 /nfs/dbraw/zinc/60/45/92/464604592.db2.gz OYUNNJOIJYZNGK-WMLDXEAASA-N 1 2 343.383 2.219 20 5 EEBDLO Cc1cnccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000294850300 464624387 /nfs/dbraw/zinc/62/43/87/464624387.db2.gz OUQIIULHBWFNET-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO COc1ccc(C[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000294858119 464627595 /nfs/dbraw/zinc/62/75/95/464627595.db2.gz SSMBMGKIPLOKSI-ZDUSSCGKSA-N 1 2 337.376 2.266 20 5 EEBDLO COc1ccc(C[N@H+]2CCC[C@H](OC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000294858119 464627601 /nfs/dbraw/zinc/62/76/01/464627601.db2.gz SSMBMGKIPLOKSI-ZDUSSCGKSA-N 1 2 337.376 2.266 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000272487163 464628737 /nfs/dbraw/zinc/62/87/37/464628737.db2.gz MRDLFNYKSWVITH-NSHDSACASA-N 1 2 348.432 2.220 20 5 EEBDLO C[C@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000265786884 464687029 /nfs/dbraw/zinc/68/70/29/464687029.db2.gz KXGPYSWJSJFBOK-KBPBESRZSA-N 1 2 349.431 2.098 20 5 EEBDLO CC[N@@H+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)C1 ZINC000295408309 464820324 /nfs/dbraw/zinc/82/03/24/464820324.db2.gz TXXLRJAHRAUKEK-LBPRGKRZSA-N 1 2 343.387 2.151 20 5 EEBDLO CC[N@H+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)C1 ZINC000295408309 464820331 /nfs/dbraw/zinc/82/03/31/464820331.db2.gz TXXLRJAHRAUKEK-LBPRGKRZSA-N 1 2 343.387 2.151 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295835338 464980658 /nfs/dbraw/zinc/98/06/58/464980658.db2.gz IWSPETOMGLHGKS-HNNXBMFYSA-N 1 2 328.372 2.481 20 5 EEBDLO C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000298640940 465457226 /nfs/dbraw/zinc/45/72/26/465457226.db2.gz QIVLUFDHAKNXPO-OAHLLOKOSA-N 1 2 346.431 2.118 20 5 EEBDLO Cc1ccc(S(=O)(=O)NCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000337812661 465600597 /nfs/dbraw/zinc/60/05/97/465600597.db2.gz OSWHOMUGCZSBQZ-UHFFFAOYSA-N 1 2 346.368 2.029 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 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CC1(C)CC[N@@H+](CCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000897248717 686317736 /nfs/dbraw/zinc/31/77/36/686317736.db2.gz YOUZJZMYADRWBZ-UHFFFAOYSA-N 1 2 341.433 2.142 20 5 EEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000874698628 1198947542 /nfs/dbraw/zinc/94/75/42/1198947542.db2.gz IUKZUGSRJJTYNT-LLVKDONJSA-N 1 2 341.795 2.089 20 5 EEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000874698628 1198947544 /nfs/dbraw/zinc/94/75/44/1198947544.db2.gz IUKZUGSRJJTYNT-LLVKDONJSA-N 1 2 341.795 2.089 20 5 EEBDLO Cc1ocnc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173036 1201142138 /nfs/dbraw/zinc/14/21/38/1201142138.db2.gz RTIBGXUVIOJHAC-AWEZNQCLSA-N 1 2 331.328 2.323 20 5 EEBDLO Cc1ocnc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173036 1201142142 /nfs/dbraw/zinc/14/21/42/1201142142.db2.gz RTIBGXUVIOJHAC-AWEZNQCLSA-N 1 2 331.328 2.323 20 5 EEBDLO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 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349.818 2.079 20 5 EEBDLO Cn1cc[nH+]c1CCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110410552 1280374808 /nfs/dbraw/zinc/37/48/08/1280374808.db2.gz VRAGTBQIFBFGQN-UHFFFAOYSA-N 1 2 343.387 2.022 20 5 EEBDLO C[C@@H]1Cc2c[nH+]ccc2N1S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000857899374 1293946705 /nfs/dbraw/zinc/94/67/05/1293946705.db2.gz CXMFLXFSEJHQQH-LLVKDONJSA-N 1 2 333.369 2.271 20 5 EEBDLO Nc1[nH+]cccc1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC001225075861 1300874397 /nfs/dbraw/zinc/87/43/97/1300874397.db2.gz QTPLJTSHJYYIFP-UHFFFAOYSA-N 1 2 349.778 2.267 20 5 EEBDLO CO[C@@H]1CC[N@H+](CCOc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001225611455 1301090625 /nfs/dbraw/zinc/09/06/25/1301090625.db2.gz WRYAYFWWUNTUBF-SNVBAGLBSA-N 1 2 345.193 2.457 20 5 EEBDLO CO[C@@H]1CC[N@@H+](CCOc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001225611455 1301090638 /nfs/dbraw/zinc/09/06/38/1301090638.db2.gz WRYAYFWWUNTUBF-SNVBAGLBSA-N 1 2 345.193 2.457 20 5 EEBDLO Cc1cc(Cl)nc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001162848709 1320973218 /nfs/dbraw/zinc/97/32/18/1320973218.db2.gz ASEZTROOWKECRI-QMMMGPOBSA-N 1 2 330.772 2.033 20 5 EEBDLO CC(C)CNC(=O)C1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCC1 ZINC001307549688 1331539365 /nfs/dbraw/zinc/53/93/65/1331539365.db2.gz IWEJQFGLBZNRGZ-UHFFFAOYSA-N 1 2 335.404 2.475 20 5 EEBDLO COCC[N@H+](CCC(=O)OC(C)(C)C)Cc1onc(C)c1[N+](=O)[O-] ZINC001308143711 1331567655 /nfs/dbraw/zinc/56/76/55/1331567655.db2.gz WXCGROUQWIRKMX-UHFFFAOYSA-N 1 2 343.380 2.071 20 5 EEBDLO COCC[N@@H+](CCC(=O)OC(C)(C)C)Cc1onc(C)c1[N+](=O)[O-] ZINC001308143711 1331567661 /nfs/dbraw/zinc/56/76/61/1331567661.db2.gz WXCGROUQWIRKMX-UHFFFAOYSA-N 1 2 343.380 2.071 20 5 EEBDLO C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC[C@H]21 ZINC001610134185 1352170601 /nfs/dbraw/zinc/17/06/01/1352170601.db2.gz YJCAZXXYUZBUAC-UKRRQHHQSA-N 1 2 333.388 2.209 20 5 EEBDLO C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC[C@H]21 ZINC001610134185 1352170604 /nfs/dbraw/zinc/17/06/04/1352170604.db2.gz 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329.356 2.456 20 5 EEBDLO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCCc2ccc(C)cc2)C1 ZINC000950055917 775880604 /nfs/dbraw/zinc/88/06/04/775880604.db2.gz QNOHGFIWPIDIGN-QZTJIDSGSA-N 1 2 345.443 2.126 20 5 EEBDLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001091476189 790944213 /nfs/dbraw/zinc/94/42/13/790944213.db2.gz CRQSTVBFOGVRGS-UMSPYCQHSA-N 1 2 347.350 2.006 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NC/C=C/CNc1ccc(C)cc1[N+](=O)[O-] ZINC001107285503 786721417 /nfs/dbraw/zinc/72/14/17/786721417.db2.gz PILXOZVHCAWPSL-ONEGZZNKSA-N 1 2 343.387 2.262 20 5 EEBDLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000823402173 787736684 /nfs/dbraw/zinc/73/66/84/787736684.db2.gz SNKBKZQLCHWHFQ-ZETCQYMHSA-N 1 2 340.361 2.438 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCn3ccnc3C2)c1F ZINC001173180818 797279435 /nfs/dbraw/zinc/27/94/35/797279435.db2.gz NNQDMJOVGGUFOZ-NSHDSACASA-N 1 2 334.351 2.386 20 5 EEBDLO 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577407853 /nfs/dbraw/zinc/40/78/53/577407853.db2.gz FWLSTBBQEBNOAI-UHFFFAOYSA-N 1 2 334.767 2.421 20 5 EEBDLO C[C@@H](N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000776277507 577456523 /nfs/dbraw/zinc/45/65/23/577456523.db2.gz MVMPQKHEMYDJIC-RISCZKNCSA-N 1 2 347.337 2.197 20 5 EEBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CCn2cc[nH+]c2C1 ZINC000777587324 577482603 /nfs/dbraw/zinc/48/26/03/577482603.db2.gz GXOQKXWOHUXZPR-NSHDSACASA-N 1 2 349.778 2.259 20 5 EEBDLO COc1ccc(OCCO[NH+]=C(N)COC(C)(C)C)c([N+](=O)[O-])c1 ZINC000768931279 577565948 /nfs/dbraw/zinc/56/59/48/577565948.db2.gz JSIOCDDGALUJJA-UHFFFAOYSA-N 1 2 341.364 2.296 20 5 EEBDLO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1ccc(C)[nH+]c1C ZINC000755770486 577830730 /nfs/dbraw/zinc/83/07/30/577830730.db2.gz FVGWFXUCPMVXAR-LBPRGKRZSA-N 1 2 346.391 2.478 20 5 EEBDLO Cc1nn(C[N@H+]2CCOC[C@@H]2CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749952903 577984420 /nfs/dbraw/zinc/98/44/20/577984420.db2.gz JGWMYTUWQKGSQO-AWEZNQCLSA-N 1 2 333.392 2.352 20 5 EEBDLO Cc1nn(C[N@@H+]2CCOC[C@@H]2CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749952903 577984421 /nfs/dbraw/zinc/98/44/21/577984421.db2.gz JGWMYTUWQKGSQO-AWEZNQCLSA-N 1 2 333.392 2.352 20 5 EEBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741149456 578113909 /nfs/dbraw/zinc/11/39/09/578113909.db2.gz YPIAAPHCDQWZQK-IUODEOHRSA-N 1 2 349.387 2.339 20 5 EEBDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741149456 578113910 /nfs/dbraw/zinc/11/39/10/578113910.db2.gz YPIAAPHCDQWZQK-IUODEOHRSA-N 1 2 349.387 2.339 20 5 EEBDLO COc1c(O)ccc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1[N+](=O)[O-] ZINC000892054993 677956646 /nfs/dbraw/zinc/95/66/46/677956646.db2.gz FJWOYNJRGLRKDP-OAHLLOKOSA-N 1 2 344.367 2.401 20 5 EEBDLO COc1c(O)ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)c1[N+](=O)[O-] ZINC000892054993 677956647 /nfs/dbraw/zinc/95/66/47/677956647.db2.gz FJWOYNJRGLRKDP-OAHLLOKOSA-N 1 2 344.367 2.401 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000899969371 693947380 /nfs/dbraw/zinc/94/73/80/693947380.db2.gz LXBFKZAQPWDWNR-HNNXBMFYSA-N 1 2 347.415 2.148 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000877545161 1199961673 /nfs/dbraw/zinc/96/16/73/1199961673.db2.gz CTUTUUKVENGTGS-UHFFFAOYSA-N 1 2 340.445 2.468 20 5 EEBDLO Cc1nn(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000811775814 1200289942 /nfs/dbraw/zinc/28/99/42/1200289942.db2.gz GHNGSBZFXYCATE-HUUCEWRRSA-N 1 2 345.403 2.495 20 5 EEBDLO Cc1nn(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000811775814 1200289950 /nfs/dbraw/zinc/28/99/50/1200289950.db2.gz GHNGSBZFXYCATE-HUUCEWRRSA-N 1 2 345.403 2.495 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC(C)=C(Br)C1 ZINC000878547931 1200536985 /nfs/dbraw/zinc/53/69/85/1200536985.db2.gz QFGDGEABVFPCGW-UHFFFAOYSA-N 1 2 329.198 2.474 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC(C)=C(Br)C1 ZINC000878547931 1200536990 /nfs/dbraw/zinc/53/69/90/1200536990.db2.gz QFGDGEABVFPCGW-UHFFFAOYSA-N 1 2 329.198 2.474 20 5 EEBDLO CC[N@H+](C[C@H](C)OC)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000812301645 1200652459 /nfs/dbraw/zinc/65/24/59/1200652459.db2.gz JTRKBSIUDIEHHA-AWEZNQCLSA-N 1 2 348.403 2.170 20 5 EEBDLO CC[N@@H+](C[C@H](C)OC)Cn1cc(C)n(-c2ccccc2[N+](=O)[O-])c1=O ZINC000812301645 1200652461 /nfs/dbraw/zinc/65/24/61/1200652461.db2.gz JTRKBSIUDIEHHA-AWEZNQCLSA-N 1 2 348.403 2.170 20 5 EEBDLO C[C@@H](C(=O)OCC[N@@H+]1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000800200156 1202219588 /nfs/dbraw/zinc/21/95/88/1202219588.db2.gz KCWZEUDNUDHFKH-NWDGAFQWSA-N 1 2 340.351 2.101 20 5 EEBDLO C[C@@H](C(=O)OCC[N@H+]1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000800200156 1202219590 /nfs/dbraw/zinc/21/95/90/1202219590.db2.gz KCWZEUDNUDHFKH-NWDGAFQWSA-N 1 2 340.351 2.101 20 5 EEBDLO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886028347 1202463923 /nfs/dbraw/zinc/46/39/23/1202463923.db2.gz 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CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794640950 1296481910 /nfs/dbraw/zinc/48/19/10/1296481910.db2.gz AVUXBNWBQHTWAM-WCQYABFASA-N 1 2 332.360 2.489 20 5 EEBDLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794640950 1296481917 /nfs/dbraw/zinc/48/19/17/1296481917.db2.gz AVUXBNWBQHTWAM-WCQYABFASA-N 1 2 332.360 2.489 20 5 EEBDLO Cc1cc(Br)c(OC[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001230981118 1303575480 /nfs/dbraw/zinc/57/54/80/1303575480.db2.gz LYDUQFDVPIALLR-SNVBAGLBSA-N 1 2 345.193 2.375 20 5 EEBDLO Cc1cc(Br)c(OC[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC001230981118 1303575473 /nfs/dbraw/zinc/57/54/73/1303575473.db2.gz LYDUQFDVPIALLR-SNVBAGLBSA-N 1 2 345.193 2.375 20 5 EEBDLO CC(C)C[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000780763378 1303698866 /nfs/dbraw/zinc/69/88/66/1303698866.db2.gz ACVATXLYPVNOOW-HZPDHXFCSA-N 1 2 332.404 2.414 20 5 EEBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1F ZINC000832518309 1314682103 /nfs/dbraw/zinc/68/21/03/1314682103.db2.gz ZMSDUDRIJXXPAJ-SECBINFHSA-N 1 2 336.298 2.123 20 5 EEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000840164718 1315314563 /nfs/dbraw/zinc/31/45/63/1315314563.db2.gz UCKOSGVQRVHIIC-LLVKDONJSA-N 1 2 348.325 2.430 20 5 EEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000840164718 1315314566 /nfs/dbraw/zinc/31/45/66/1315314566.db2.gz UCKOSGVQRVHIIC-LLVKDONJSA-N 1 2 348.325 2.430 20 5 EEBDLO C[NH+]1CC2(CN(C(=O)c3ccc4oc5ccccc5c(=O)c4c3)C2)C1 ZINC001153421626 1316826362 /nfs/dbraw/zinc/82/63/62/1316826362.db2.gz CVFJFGICNIHKEX-UHFFFAOYSA-N 1 2 334.375 2.334 20 5 EEBDLO C[C@H]1C[NH+](C2CN(c3ncc([N+](=O)[O-])c4ccccc43)C2)C[C@H](C)O1 ZINC001158717695 1319396731 /nfs/dbraw/zinc/39/67/31/1319396731.db2.gz PHVWITVTMUOGHP-STQMWFEESA-N 1 2 342.399 2.441 20 5 EEBDLO O=C(NCC1CC1)C1([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])CCCC1 ZINC001307550198 1331539546 /nfs/dbraw/zinc/53/95/46/1331539546.db2.gz LMPUKRSLKIRBSP-UHFFFAOYSA-N 1 2 333.388 2.229 20 5 EEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001308112757 1331565724 /nfs/dbraw/zinc/56/57/24/1331565724.db2.gz LCTHYBZZISZSEL-OLZOCXBDSA-N 1 2 341.371 2.201 20 5 EEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001308112757 1331565727 /nfs/dbraw/zinc/56/57/27/1331565727.db2.gz LCTHYBZZISZSEL-OLZOCXBDSA-N 1 2 341.371 2.201 20 5 EEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cn(C4CC4)cn3)C2)nc1 ZINC001308574724 1331599627 /nfs/dbraw/zinc/59/96/27/1331599627.db2.gz SUUGESHHPVHBKL-LBPRGKRZSA-N 1 2 328.376 2.208 20 5 EEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cn(C4CC4)cn3)C2)nc1 ZINC001308574724 1331599653 /nfs/dbraw/zinc/59/96/53/1331599653.db2.gz SUUGESHHPVHBKL-LBPRGKRZSA-N 1 2 328.376 2.208 20 5 EEBDLO CC[C@H]([NH2+]Cc1nc(-c2nn[nH]n2)cs1)c1cccc([N+](=O)[O-])c1 ZINC001590868352 1349407425 /nfs/dbraw/zinc/40/74/25/1349407425.db2.gz MLRQTNAUZFQFFC-NSHDSACASA-N 1 2 345.388 2.472 20 5 EEBDLO Cc1cc(CNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc(C)[nH+]1 ZINC001605661657 1351212881 /nfs/dbraw/zinc/21/28/81/1351212881.db2.gz FDEHYPCIQMZKMG-UHFFFAOYSA-N 1 2 325.332 2.399 20 5 EEBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CCCC2(CC2)C1 ZINC000840050913 1372920102 /nfs/dbraw/zinc/92/01/02/1372920102.db2.gz AMHJCPZNFYHHRU-MRXNPFEDSA-N 1 2 331.372 2.366 20 5 EEBDLO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CCCC2(CC2)C1 ZINC000840050913 1372920107 /nfs/dbraw/zinc/92/01/07/1372920107.db2.gz AMHJCPZNFYHHRU-MRXNPFEDSA-N 1 2 331.372 2.366 20 5 EEBDLO O=C(CCc1[nH]cc[nH+]1)NC/C=C/CNc1ccccc1[N+](=O)[O-] ZINC001107173854 786220507 /nfs/dbraw/zinc/22/05/07/786220507.db2.gz SFYMGVMUJSJHDD-ONEGZZNKSA-N 1 2 329.360 2.035 20 5 EEBDLO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)CCn1cc[nH+]c1 ZINC001109580296 805710418 /nfs/dbraw/zinc/71/04/18/805710418.db2.gz QGSMAFGLWOTPRQ-UHFFFAOYSA-N 1 2 331.376 2.142 20 5 EEBDLO Cn1c[nH+]cc1CCC(=O)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107297628 786757082 /nfs/dbraw/zinc/75/70/82/786757082.db2.gz MUCYABBSHQYMPI-NSCUHMNNSA-N 1 2 343.387 2.045 20 5 EEBDLO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]([NH3+])CC(=O)OC(C)(C)C)no1 ZINC000823396973 787732672 /nfs/dbraw/zinc/73/26/72/787732672.db2.gz GIQKDFOOSKHQDT-NSHDSACASA-N 1 2 349.347 2.080 20 5 EEBDLO C[C@@H](OC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000845279096 789706714 /nfs/dbraw/zinc/70/67/14/789706714.db2.gz LGCITBKAXBHIDR-NWDGAFQWSA-N 1 2 346.343 2.313 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NCCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC001094523529 796356747 /nfs/dbraw/zinc/35/67/47/796356747.db2.gz BOXYDLOWNXDZRC-UHFFFAOYSA-N 1 2 331.376 2.096 20 5 EEBDLO COc1cc[nH+]cc1CC(=O)NCCCNc1ccccc1[N+](=O)[O-] ZINC001094868179 796869367 /nfs/dbraw/zinc/86/93/67/796869367.db2.gz HXLCMSVECCUTGV-UHFFFAOYSA-N 1 2 344.371 2.159 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC3(C2)OCCO3)c1F ZINC001173190311 797281952 /nfs/dbraw/zinc/28/19/52/797281952.db2.gz SMOHCMGFKKROSW-NSHDSACASA-N 1 2 340.351 2.122 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCC3(C2)OCCO3)c1F ZINC001173190311 797281958 /nfs/dbraw/zinc/28/19/58/797281958.db2.gz SMOHCMGFKKROSW-NSHDSACASA-N 1 2 340.351 2.122 20 5 EEBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791927720 809484183 /nfs/dbraw/zinc/48/41/83/809484183.db2.gz BFSBWVXKLSFNBO-ZDUSSCGKSA-N 1 2 337.332 2.421 20 5 EEBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791927720 809484186 /nfs/dbraw/zinc/48/41/86/809484186.db2.gz BFSBWVXKLSFNBO-ZDUSSCGKSA-N 1 2 337.332 2.421 20 5 EEBDLO O=[N+]([O-])c1cc(Br)cnc1NCCCn1cc[nH+]c1 ZINC000040713368 213372789 /nfs/dbraw/zinc/37/27/89/213372789.db2.gz FHCGPDMACCRMQQ-UHFFFAOYSA-N 1 2 326.154 2.451 20 5 EEBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000023800920 202107918 /nfs/dbraw/zinc/10/79/18/202107918.db2.gz BXEJMUKUVXHDMR-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO C[C@@H](NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000339984981 296038890 /nfs/dbraw/zinc/03/88/90/296038890.db2.gz ZFHIVGIJJNXTLR-KGLIPLIRSA-N 1 2 349.431 2.098 20 5 EEBDLO C[N@H+](Cc1ccccn1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451370139 243093037 /nfs/dbraw/zinc/09/30/37/243093037.db2.gz CKVFOUIJBRPDKD-INIZCTEOSA-N 1 2 326.356 2.227 20 5 EEBDLO C[N@@H+](Cc1ccccn1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000451370139 243093042 /nfs/dbraw/zinc/09/30/42/243093042.db2.gz CKVFOUIJBRPDKD-INIZCTEOSA-N 1 2 326.356 2.227 20 5 EEBDLO Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000451950026 243319402 /nfs/dbraw/zinc/31/94/02/243319402.db2.gz ZVRSWUAFRSJTMJ-PWSUYJOCSA-N 1 2 336.373 2.084 20 5 EEBDLO COc1ccc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1[N+](=O)[O-] ZINC000246211699 205185640 /nfs/dbraw/zinc/18/56/40/205185640.db2.gz FBJSBHVBBMWWQJ-JJRVBVJISA-N 1 2 336.388 2.372 20 5 EEBDLO COc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1[N+](=O)[O-] ZINC000246211699 205185642 /nfs/dbraw/zinc/18/56/42/205185642.db2.gz FBJSBHVBBMWWQJ-JJRVBVJISA-N 1 2 336.388 2.372 20 5 EEBDLO C[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000264202709 246177448 /nfs/dbraw/zinc/17/74/48/246177448.db2.gz DUWGBBZZJKQLOR-WDEREUQCSA-N 1 2 341.795 2.087 20 5 EEBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000492233469 246360945 /nfs/dbraw/zinc/36/09/45/246360945.db2.gz HYEUCXYGXYFYSH-AFNCTOJWSA-N 1 2 326.356 2.498 20 5 EEBDLO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)Cc1[nH+]ccn1C ZINC000161945614 206379159 /nfs/dbraw/zinc/37/91/59/206379159.db2.gz PIDZHKHTSGOFAH-UHFFFAOYSA-N 1 2 337.767 2.052 20 5 EEBDLO O=C(CCn1cc[nH+]c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266299769 248233699 /nfs/dbraw/zinc/23/36/99/248233699.db2.gz JKURMXKKAYPZAJ-UHFFFAOYSA-N 1 2 344.371 2.251 20 5 EEBDLO Cc1cc(C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cc([N+](=O)[O-])c1 ZINC000174415555 207017580 /nfs/dbraw/zinc/01/75/80/207017580.db2.gz UOAUPRPMUJGMRG-GFCCVEGCSA-N 1 2 348.428 2.152 20 5 EEBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000274187307 256362495 /nfs/dbraw/zinc/36/24/95/256362495.db2.gz JMYQFKNAKRVVNJ-ZDUSSCGKSA-N 1 2 338.795 2.284 20 5 EEBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000274187307 256362496 /nfs/dbraw/zinc/36/24/96/256362496.db2.gz JMYQFKNAKRVVNJ-ZDUSSCGKSA-N 1 2 338.795 2.284 20 5 EEBDLO COC(=O)C1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184234993 533293676 /nfs/dbraw/zinc/29/36/76/533293676.db2.gz LBVXKZWARPXFNO-UHFFFAOYSA-N 1 2 326.324 2.128 20 5 EEBDLO Cc1cc(N2C[C@H](C)[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000357659043 153271129 /nfs/dbraw/zinc/27/11/29/153271129.db2.gz OZYYHVWUXQIXON-FZMZJTMJSA-N 1 2 328.372 2.425 20 5 EEBDLO Cc1c(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])cnn1C ZINC000357784362 153345024 /nfs/dbraw/zinc/34/50/24/153345024.db2.gz DDGBUKOMMGJFDT-UHFFFAOYSA-N 1 2 345.403 2.081 20 5 EEBDLO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000359448765 153369339 /nfs/dbraw/zinc/36/93/39/153369339.db2.gz BEUQEPJDBQREFU-CYBMUJFWSA-N 1 2 338.371 2.479 20 5 EEBDLO COc1cc(F)c([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000341866935 161019989 /nfs/dbraw/zinc/01/99/89/161019989.db2.gz YMQLAWALKVWKAJ-VIFPVBQESA-N 1 2 338.339 2.335 20 5 EEBDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC000345419428 161300224 /nfs/dbraw/zinc/30/02/24/161300224.db2.gz QSNMNIBABYQBFK-UHFFFAOYSA-N 1 2 344.389 2.489 20 5 EEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000345488800 161305529 /nfs/dbraw/zinc/30/55/29/161305529.db2.gz CSSCEDZOZGANAU-HNNXBMFYSA-N 1 2 343.387 2.321 20 5 EEBDLO NC(=O)c1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)on1 ZINC000350359542 161730355 /nfs/dbraw/zinc/73/03/55/161730355.db2.gz SPBYROHEKPZIPG-UHFFFAOYSA-N 1 2 342.311 2.232 20 5 EEBDLO CC[C@H](C(=O)OC)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000352670839 162238984 /nfs/dbraw/zinc/23/89/84/162238984.db2.gz GWKAHGFIVOLINH-XJKSGUPXSA-N 1 2 335.404 2.225 20 5 EEBDLO CCN1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1c1[nH]cc[nH+]1 ZINC000359994602 164211226 /nfs/dbraw/zinc/21/12/26/164211226.db2.gz QGXKYOHTLWAESO-LBPRGKRZSA-N 1 2 336.783 2.250 20 5 EEBDLO O=C(C[NH+]1CCC(c2cn[nH]c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000364628676 165212073 /nfs/dbraw/zinc/21/20/73/165212073.db2.gz DMCIMONTIHBNEN-UHFFFAOYSA-N 1 2 329.360 2.136 20 5 EEBDLO Cc1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000368651758 166098508 /nfs/dbraw/zinc/09/85/08/166098508.db2.gz JBDKRZUQOBWVOU-FICVDOATSA-N 1 2 326.356 2.035 20 5 EEBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374382816 167031184 /nfs/dbraw/zinc/03/11/84/167031184.db2.gz BUBOBAXBDFVKSM-OAHLLOKOSA-N 1 2 346.774 2.430 20 5 EEBDLO CN(C)c1ccc2cc(NC(=O)c3n[nH]cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000179634832 274004053 /nfs/dbraw/zinc/00/40/53/274004053.db2.gz GOQZTABLNNBRNU-UHFFFAOYSA-N 1 2 326.316 2.184 20 5 EEBDLO CC[C@@H](C)[NH+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000296750904 294057631 /nfs/dbraw/zinc/05/76/31/294057631.db2.gz BEWMVUSWNLURCA-LLVKDONJSA-N 1 2 331.376 2.027 20 5 EEBDLO O=c1[nH]cnc2cc(NCCCCn3cc[nH+]c3)c([N+](=O)[O-])cc21 ZINC000324426702 311600777 /nfs/dbraw/zinc/60/07/77/311600777.db2.gz ASCDFORTSBFVRV-UHFFFAOYSA-N 1 2 328.332 2.332 20 5 EEBDLO COc1cc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c([N+](=O)[O-])cc1F ZINC000410852597 312495918 /nfs/dbraw/zinc/49/59/18/312495918.db2.gz LWLFNQHIMTVBPC-AWEZNQCLSA-N 1 2 348.334 2.357 20 5 EEBDLO COCC[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000412474448 312671956 /nfs/dbraw/zinc/67/19/56/312671956.db2.gz APUNDJKWLPBSPN-GFCCVEGCSA-N 1 2 332.360 2.183 20 5 EEBDLO CCCC[C@H](C(=O)OC)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000434521108 314844877 /nfs/dbraw/zinc/84/48/77/314844877.db2.gz FRACHOKYXUOZSU-MRXNPFEDSA-N 1 2 335.404 2.449 20 5 EEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000520618342 316871958 /nfs/dbraw/zinc/87/19/58/316871958.db2.gz QHMGEZQGXNIUKT-UHFFFAOYSA-N 1 2 326.316 2.210 20 5 EEBDLO Cc1noc([C@H](C)[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000563546116 319021695 /nfs/dbraw/zinc/02/16/95/319021695.db2.gz ZHKFHQSFKWIBLG-JTQLQIEISA-N 1 2 333.348 2.308 20 5 EEBDLO Cc1noc([C@H](C)[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000563546116 319021698 /nfs/dbraw/zinc/02/16/98/319021698.db2.gz ZHKFHQSFKWIBLG-JTQLQIEISA-N 1 2 333.348 2.308 20 5 EEBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000568025229 319446056 /nfs/dbraw/zinc/44/60/56/319446056.db2.gz HUCPGXKQHNQKRR-DABQJJPHSA-N 1 2 344.371 2.466 20 5 EEBDLO CO[C@H]1CC[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000572613106 319862654 /nfs/dbraw/zinc/86/26/54/319862654.db2.gz VGKIUAAKXRUBGW-GJZGRUSLSA-N 1 2 335.404 2.406 20 5 EEBDLO C[C@@H](O)[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000575128375 320089385 /nfs/dbraw/zinc/08/93/85/320089385.db2.gz MRQTWNRTDVLECU-GDBMZVCRSA-N 1 2 349.431 2.024 20 5 EEBDLO CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433105001 323562970 /nfs/dbraw/zinc/56/29/70/323562970.db2.gz PEOKRWGWRJOOLM-OAHLLOKOSA-N 1 2 343.387 2.145 20 5 EEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000581054216 324175289 /nfs/dbraw/zinc/17/52/89/324175289.db2.gz WHARSQMNSCDUPS-UHFFFAOYSA-N 1 2 338.371 2.188 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1(C)C ZINC000296218783 465120156 /nfs/dbraw/zinc/12/01/56/465120156.db2.gz NNUHUPKFLDMHIO-CYBMUJFWSA-N 1 2 329.360 2.134 20 5 EEBDLO Cc1noc([C@@H](C)[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000578903331 468277822 /nfs/dbraw/zinc/27/78/22/468277822.db2.gz FEDNQZMOKDUTSK-SNVBAGLBSA-N 1 2 333.348 2.308 20 5 EEBDLO Cc1noc([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000578903331 468277827 /nfs/dbraw/zinc/27/78/27/468277827.db2.gz FEDNQZMOKDUTSK-SNVBAGLBSA-N 1 2 333.348 2.308 20 5 EEBDLO CC(=O)c1ccc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000074055326 462549689 /nfs/dbraw/zinc/54/96/89/462549689.db2.gz PWWZLTCDTURXRH-SFHVURJKSA-N 1 2 348.447 2.481 20 5 EEBDLO Cc1c(NC(=O)[C@@H](C)N(C)Cc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000153369135 462643370 /nfs/dbraw/zinc/64/33/70/462643370.db2.gz COGCYCDACPYBNK-GFCCVEGCSA-N 1 2 331.376 2.096 20 5 EEBDLO CC[C@H](c1ccccc1)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)OC ZINC000090560055 462797074 /nfs/dbraw/zinc/79/70/74/462797074.db2.gz JTDPSYUFGQZFSU-OAHLLOKOSA-N 1 2 346.387 2.418 20 5 EEBDLO CC[C@H](c1ccccc1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)OC ZINC000090560055 462797081 /nfs/dbraw/zinc/79/70/81/462797081.db2.gz JTDPSYUFGQZFSU-OAHLLOKOSA-N 1 2 346.387 2.418 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000010355960 462818326 /nfs/dbraw/zinc/81/83/26/462818326.db2.gz NOZBZESJDBCHIX-UHFFFAOYSA-N 1 2 340.339 2.224 20 5 EEBDLO CC(C)Cc1noc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000118866190 462858208 /nfs/dbraw/zinc/85/82/08/462858208.db2.gz ANXFABJOKOURRP-GFCCVEGCSA-N 1 2 346.391 2.258 20 5 EEBDLO CC(C)Cc1noc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000118866190 462858213 /nfs/dbraw/zinc/85/82/13/462858213.db2.gz ANXFABJOKOURRP-GFCCVEGCSA-N 1 2 346.391 2.258 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000120139344 462966256 /nfs/dbraw/zinc/96/62/56/462966256.db2.gz ACFFGNBRRNJDPD-CYBMUJFWSA-N 1 2 336.392 2.054 20 5 EEBDLO COc1ccc(CNC(=O)Nc2cc(C)[nH+]cc2C)cc1[N+](=O)[O-] ZINC000535772782 468328892 /nfs/dbraw/zinc/32/88/92/468328892.db2.gz NXXXMLFWCKXYOB-UHFFFAOYSA-N 1 2 330.344 2.359 20 5 EEBDLO O=[N+]([O-])c1sccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000067912464 463066693 /nfs/dbraw/zinc/06/66/93/463066693.db2.gz SZURAMUKDLIJJW-ZDUSSCGKSA-N 1 2 329.447 2.276 20 5 EEBDLO COc1ccc(C[N@@H+]2CCCN(C(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000121186995 463095002 /nfs/dbraw/zinc/09/50/02/463095002.db2.gz KBBODOKRKOOKDP-UHFFFAOYSA-N 1 2 333.388 2.048 20 5 EEBDLO COc1ccc(C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1[N+](=O)[O-] ZINC000121186995 463095006 /nfs/dbraw/zinc/09/50/06/463095006.db2.gz KBBODOKRKOOKDP-UHFFFAOYSA-N 1 2 333.388 2.048 20 5 EEBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000068252382 463112085 /nfs/dbraw/zinc/11/20/85/463112085.db2.gz YZJCCEGTGYMFEV-UHFFFAOYSA-N 1 2 329.331 2.480 20 5 EEBDLO Cc1noc(C)c1C[NH+]1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000078629895 463136206 /nfs/dbraw/zinc/13/62/06/463136206.db2.gz FQDSYEZPDXTVSJ-UHFFFAOYSA-N 1 2 331.376 2.225 20 5 EEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccc(F)cc1 ZINC000053472829 463167271 /nfs/dbraw/zinc/16/72/71/463167271.db2.gz KSPNSAZGOHXWFL-AWEZNQCLSA-N 1 2 343.318 2.315 20 5 EEBDLO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)nc1 ZINC000029525983 463260713 /nfs/dbraw/zinc/26/07/13/463260713.db2.gz WZYLWLFCYFYNDO-MRXNPFEDSA-N 1 2 328.372 2.475 20 5 EEBDLO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000036830205 463440272 /nfs/dbraw/zinc/44/02/72/463440272.db2.gz UWXQDCZUNCGISG-INIZCTEOSA-N 1 2 329.356 2.469 20 5 EEBDLO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000036830205 463440275 /nfs/dbraw/zinc/44/02/75/463440275.db2.gz UWXQDCZUNCGISG-INIZCTEOSA-N 1 2 329.356 2.469 20 5 EEBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161841094 463461544 /nfs/dbraw/zinc/46/15/44/463461544.db2.gz JOKVZBWWGMNXGI-HNNXBMFYSA-N 1 2 342.399 2.493 20 5 EEBDLO Cn1cccc1[C@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000162341154 463501103 /nfs/dbraw/zinc/50/11/03/463501103.db2.gz MRHFIESRPKQWIP-QGZVFWFLSA-N 1 2 331.372 2.386 20 5 EEBDLO Cn1cccc1[C@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000162341154 463501107 /nfs/dbraw/zinc/50/11/07/463501107.db2.gz MRHFIESRPKQWIP-QGZVFWFLSA-N 1 2 331.372 2.386 20 5 EEBDLO O=C(Nc1ccncc1O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000109890787 463652937 /nfs/dbraw/zinc/65/29/37/463652937.db2.gz POTDQPPYXPMXNV-UHFFFAOYSA-N 1 2 325.284 2.133 20 5 EEBDLO Cc1c(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000287036690 463779077 /nfs/dbraw/zinc/77/90/77/463779077.db2.gz RVRLYHXTHKAOCL-OCCSQVGLSA-N 1 2 348.403 2.230 20 5 EEBDLO Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000287045605 463783496 /nfs/dbraw/zinc/78/34/96/463783496.db2.gz SIQYPKWKPUVIHS-HIFRSBDPSA-N 1 2 348.403 2.230 20 5 EEBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000523282184 468386208 /nfs/dbraw/zinc/38/62/08/468386208.db2.gz BDIZKRLUBWQWOZ-NSHDSACASA-N 1 2 338.327 2.062 20 5 EEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279215358 464066943 /nfs/dbraw/zinc/06/69/43/464066943.db2.gz CGUIDBLSCQIVOK-XHBSWPGZSA-N 1 2 333.388 2.421 20 5 EEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279215358 464066947 /nfs/dbraw/zinc/06/69/47/464066947.db2.gz CGUIDBLSCQIVOK-XHBSWPGZSA-N 1 2 333.388 2.421 20 5 EEBDLO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000279235585 464073580 /nfs/dbraw/zinc/07/35/80/464073580.db2.gz FIXJJTFLDTYNMO-LRDDRELGSA-N 1 2 333.388 2.057 20 5 EEBDLO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000279235585 464073584 /nfs/dbraw/zinc/07/35/84/464073584.db2.gz FIXJJTFLDTYNMO-LRDDRELGSA-N 1 2 333.388 2.057 20 5 EEBDLO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@]1=O ZINC000351924867 465446989 /nfs/dbraw/zinc/44/69/89/465446989.db2.gz JBJVCXXASPUQNG-FNODVLLQSA-N 1 2 349.412 2.245 20 5 EEBDLO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@]1=O ZINC000351924867 465446993 /nfs/dbraw/zinc/44/69/93/465446993.db2.gz JBJVCXXASPUQNG-FNODVLLQSA-N 1 2 349.412 2.245 20 5 EEBDLO COC1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000271698099 464365491 /nfs/dbraw/zinc/36/54/91/464365491.db2.gz GSDCESOAIYZLHV-UHFFFAOYSA-N 1 2 344.371 2.422 20 5 EEBDLO CCCc1n[nH]c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000264646250 464407951 /nfs/dbraw/zinc/40/79/51/464407951.db2.gz DLDMXKWHWRSLQH-SNVBAGLBSA-N 1 2 332.364 2.013 20 5 EEBDLO CCCc1[nH]nc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000264646250 464407958 /nfs/dbraw/zinc/40/79/58/464407958.db2.gz DLDMXKWHWRSLQH-SNVBAGLBSA-N 1 2 332.364 2.013 20 5 EEBDLO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H](O)C(F)(F)F ZINC000189453853 464508392 /nfs/dbraw/zinc/50/83/92/464508392.db2.gz CLMITNVDHVNBGE-GFCCVEGCSA-N 1 2 349.309 2.087 20 5 EEBDLO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H](O)C(F)(F)F ZINC000189453853 464508396 /nfs/dbraw/zinc/50/83/96/464508396.db2.gz CLMITNVDHVNBGE-GFCCVEGCSA-N 1 2 349.309 2.087 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCOc3ccccc32)c(F)c1 ZINC000281647149 464533138 /nfs/dbraw/zinc/53/31/38/464533138.db2.gz JKNLZJVBNQAPCL-KRWDZBQOSA-N 1 2 332.331 2.494 20 5 EEBDLO CN(CCCn1cc[nH+]c1)C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295004533 464677189 /nfs/dbraw/zinc/67/71/89/464677189.db2.gz QGXDEALHOROQHA-UHFFFAOYSA-N 1 2 344.371 2.303 20 5 EEBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](CO)O1 ZINC000248962918 464825715 /nfs/dbraw/zinc/82/57/15/464825715.db2.gz GTTCYFOCYPBYNE-LRDDRELGSA-N 1 2 332.356 2.436 20 5 EEBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](CO)O1 ZINC000248962918 464825719 /nfs/dbraw/zinc/82/57/19/464825719.db2.gz GTTCYFOCYPBYNE-LRDDRELGSA-N 1 2 332.356 2.436 20 5 EEBDLO Cc1cc[nH+]c(NCCn2cc([N+](=O)[O-])cn2)c1Br ZINC000286335478 464884568 /nfs/dbraw/zinc/88/45/68/464884568.db2.gz VRFDZRFLFQOOHO-UHFFFAOYSA-N 1 2 326.154 2.369 20 5 EEBDLO CCn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])c(C)n1)C1CCOCC1 ZINC000295702512 464934861 /nfs/dbraw/zinc/93/48/61/464934861.db2.gz QECBRUQDRQEDGE-AWEZNQCLSA-N 1 2 346.391 2.489 20 5 EEBDLO CC(C)n1cc[nH+]c1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298197154 465329678 /nfs/dbraw/zinc/32/96/78/465329678.db2.gz XORONKPQRBODEB-UHFFFAOYSA-N 1 2 330.392 2.089 20 5 EEBDLO COC(=O)C1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000348311748 465545045 /nfs/dbraw/zinc/54/50/45/465545045.db2.gz ISSFXZJLIGUYCU-UHFFFAOYSA-N 1 2 338.360 2.058 20 5 EEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)cc1 ZINC000340578026 466182448 /nfs/dbraw/zinc/18/24/48/466182448.db2.gz HRWVZAPNRBUGLT-AWEZNQCLSA-N 1 2 343.318 2.315 20 5 EEBDLO O=[N+]([O-])c1cccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c1 ZINC000302879859 466203947 /nfs/dbraw/zinc/20/39/47/466203947.db2.gz HFJMXFDFAZUMQZ-OAHLLOKOSA-N 1 2 343.387 2.348 20 5 EEBDLO O=[N+]([O-])c1cccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c1 ZINC000302879859 466203953 /nfs/dbraw/zinc/20/39/53/466203953.db2.gz HFJMXFDFAZUMQZ-OAHLLOKOSA-N 1 2 343.387 2.348 20 5 EEBDLO COc1cc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C2CC2)ccc1O ZINC000340776611 466328382 /nfs/dbraw/zinc/32/83/82/466328382.db2.gz OLJHANNCHHTEEJ-UHFFFAOYSA-N 1 2 332.360 2.207 20 5 EEBDLO COc1cc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C2CC2)ccc1O ZINC000340776611 466328388 /nfs/dbraw/zinc/32/83/88/466328388.db2.gz OLJHANNCHHTEEJ-UHFFFAOYSA-N 1 2 332.360 2.207 20 5 EEBDLO Cc1cc(NCCc2cnccn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000340966765 466474709 /nfs/dbraw/zinc/47/47/09/466474709.db2.gz XXXXULMCPLJFGR-UHFFFAOYSA-N 1 2 336.355 2.227 20 5 EEBDLO CC[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC000332351887 466522992 /nfs/dbraw/zinc/52/29/92/466522992.db2.gz UZQCJTMESVMLCH-UKRRQHHQSA-N 1 2 347.415 2.373 20 5 EEBDLO CC[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC000332351887 466522997 /nfs/dbraw/zinc/52/29/97/466522997.db2.gz UZQCJTMESVMLCH-UKRRQHHQSA-N 1 2 347.415 2.373 20 5 EEBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1c(Cl)cccc1[N+](=O)[O-] ZINC000423695514 466806349 /nfs/dbraw/zinc/80/63/49/466806349.db2.gz INCQCJIPZZXCFL-QMMMGPOBSA-N 1 2 333.722 2.223 20 5 EEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCO[C@@H](CF)C2)c2c(c1)COCO2 ZINC000411851982 466917828 /nfs/dbraw/zinc/91/78/28/466917828.db2.gz LSPWQIWGPIHIDS-AWEZNQCLSA-N 1 2 326.324 2.022 20 5 EEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCO[C@@H](CF)C2)c2c(c1)COCO2 ZINC000411851982 466917831 /nfs/dbraw/zinc/91/78/31/466917831.db2.gz LSPWQIWGPIHIDS-AWEZNQCLSA-N 1 2 326.324 2.022 20 5 EEBDLO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000412098159 467007398 /nfs/dbraw/zinc/00/73/98/467007398.db2.gz VLENUQUJNRADRE-GHMZBOCLSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@@H]1[C@@H](CO)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000412098159 467007401 /nfs/dbraw/zinc/00/74/01/467007401.db2.gz VLENUQUJNRADRE-GHMZBOCLSA-N 1 2 341.795 2.280 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2nccnc2C)CC1 ZINC000374137959 467008820 /nfs/dbraw/zinc/00/88/20/467008820.db2.gz LHVAYNRXJVZZBG-UHFFFAOYSA-N 1 2 343.387 2.024 20 5 EEBDLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000377527449 467080506 /nfs/dbraw/zinc/08/05/06/467080506.db2.gz XFMDCHVHCRVLSV-JTQLQIEISA-N 1 2 337.767 2.452 20 5 EEBDLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000377527449 467080508 /nfs/dbraw/zinc/08/05/08/467080508.db2.gz XFMDCHVHCRVLSV-JTQLQIEISA-N 1 2 337.767 2.452 20 5 EEBDLO C[C@@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H](C)O1 ZINC000412655520 467107710 /nfs/dbraw/zinc/10/77/10/467107710.db2.gz OPNOSAYRQNNJNM-MBNYWOFBSA-N 1 2 344.371 2.324 20 5 EEBDLO CCn1nccc1C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429709218 467360818 /nfs/dbraw/zinc/36/08/18/467360818.db2.gz PCINLIFWCASHCZ-LBPRGKRZSA-N 1 2 331.376 2.270 20 5 EEBDLO CCn1nccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429709218 467360823 /nfs/dbraw/zinc/36/08/23/467360823.db2.gz PCINLIFWCASHCZ-LBPRGKRZSA-N 1 2 331.376 2.270 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000430228212 467410070 /nfs/dbraw/zinc/41/00/70/467410070.db2.gz RNARUGXHPANUPG-CYBMUJFWSA-N 1 2 331.376 2.410 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000430228212 467410073 /nfs/dbraw/zinc/41/00/73/467410073.db2.gz RNARUGXHPANUPG-CYBMUJFWSA-N 1 2 331.376 2.410 20 5 EEBDLO CC(C)c1ccc(C[NH2+][C@@H](C(N)=O)c2ccccn2)cc1[N+](=O)[O-] ZINC000449362583 467633510 /nfs/dbraw/zinc/63/35/10/467633510.db2.gz NIFIKXHRJGNSQP-MRXNPFEDSA-N 1 2 328.372 2.429 20 5 EEBDLO CO[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450073399 467771969 /nfs/dbraw/zinc/77/19/69/467771969.db2.gz KNGCKYFIJQIEIA-GJZGRUSLSA-N 1 2 344.371 2.324 20 5 EEBDLO COC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCC1 ZINC000450501655 467860713 /nfs/dbraw/zinc/86/07/13/467860713.db2.gz NTDPPXMWLNBXTB-UHFFFAOYSA-N 1 2 330.344 2.079 20 5 EEBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1CC[NH2+]CC1(F)F ZINC000493736781 467973466 /nfs/dbraw/zinc/97/34/66/467973466.db2.gz FUAHAWUCNWHRPU-JRBALWBOSA-N 1 2 343.305 2.108 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1cccnc1 ZINC000471826969 467977034 /nfs/dbraw/zinc/97/70/34/467977034.db2.gz OSTWTKRJRUBVPN-UHFFFAOYSA-N 1 2 328.372 2.434 20 5 EEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000518896528 468129792 /nfs/dbraw/zinc/12/97/92/468129792.db2.gz MNUWYTDCUHORCY-LLVKDONJSA-N 1 2 341.795 2.041 20 5 EEBDLO C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000559341771 468738773 /nfs/dbraw/zinc/73/87/73/468738773.db2.gz OSHYISSATAYIRE-AWEZNQCLSA-N 1 2 340.383 2.442 20 5 EEBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595347429 468819693 /nfs/dbraw/zinc/81/96/93/468819693.db2.gz OKVITWKOHGZKQL-LBPRGKRZSA-N 1 2 328.365 2.214 20 5 EEBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595347429 468819694 /nfs/dbraw/zinc/81/96/94/468819694.db2.gz OKVITWKOHGZKQL-LBPRGKRZSA-N 1 2 328.365 2.214 20 5 EEBDLO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000595472566 468866737 /nfs/dbraw/zinc/86/67/37/468866737.db2.gz NEOWPPLZSNXPFG-KRWDZBQOSA-N 1 2 332.331 2.494 20 5 EEBDLO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCc2c[nH+]cn2C1 ZINC000584472246 468880791 /nfs/dbraw/zinc/88/07/91/468880791.db2.gz HQUXVVORBJCMPM-GFCCVEGCSA-N 1 2 348.790 2.366 20 5 EEBDLO COc1ccc(NC(=O)C[N@H+](C)CC2=CCSC2)c([N+](=O)[O-])c1 ZINC000595888416 469065018 /nfs/dbraw/zinc/06/50/18/469065018.db2.gz LSZIXFHUYSNOOJ-UHFFFAOYSA-N 1 2 337.401 2.147 20 5 EEBDLO COc1ccc(NC(=O)C[N@@H+](C)CC2=CCSC2)c([N+](=O)[O-])c1 ZINC000595888416 469065022 /nfs/dbraw/zinc/06/50/22/469065022.db2.gz LSZIXFHUYSNOOJ-UHFFFAOYSA-N 1 2 337.401 2.147 20 5 EEBDLO CCC1CCC([NH2+]CCn2c(C)ncc2[N+](=O)[O-])(C(=O)OC)CC1 ZINC000602797983 469082415 /nfs/dbraw/zinc/08/24/15/469082415.db2.gz UCOHSTIMDYFEQA-UHFFFAOYSA-N 1 2 338.408 2.201 20 5 EEBDLO C[C@@H](c1nccs1)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596194677 469196314 /nfs/dbraw/zinc/19/63/14/469196314.db2.gz ILKGOQTURJVYAF-JTQLQIEISA-N 1 2 335.389 2.035 20 5 EEBDLO CC[C@@]1(C)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000619156949 469539921 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Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000744393900 577897077 /nfs/dbraw/zinc/89/70/77/577897077.db2.gz VQYTVUJYVNKZHJ-OAHLLOKOSA-N 1 2 349.387 2.069 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000744393900 577897078 /nfs/dbraw/zinc/89/70/78/577897078.db2.gz VQYTVUJYVNKZHJ-OAHLLOKOSA-N 1 2 349.387 2.069 20 5 EEBDLO Cc1ccoc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025679788 683231766 /nfs/dbraw/zinc/23/17/66/683231766.db2.gz JHOMERNEOKSWQF-IMRBUKKESA-N 1 2 347.396 2.418 20 5 EEBDLO Cc1ccoc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025679788 683231768 /nfs/dbraw/zinc/23/17/68/683231768.db2.gz JHOMERNEOKSWQF-IMRBUKKESA-N 1 2 347.396 2.418 20 5 EEBDLO O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029210569 683544581 /nfs/dbraw/zinc/54/45/81/683544581.db2.gz LLWYBPOKEMJOHO-GASCZTMLSA-N 1 2 340.383 2.412 20 5 EEBDLO O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029210569 683544583 /nfs/dbraw/zinc/54/45/83/683544583.db2.gz LLWYBPOKEMJOHO-GASCZTMLSA-N 1 2 340.383 2.412 20 5 EEBDLO CCn1c[nH+]c2c1CCN(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000897336627 687139270 /nfs/dbraw/zinc/13/92/70/687139270.db2.gz JGXXIJWOKKKTDB-UHFFFAOYSA-N 1 2 346.387 2.387 20 5 EEBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC[NH+]1Cc2ccccc2C1 ZINC000865003486 1198042645 /nfs/dbraw/zinc/04/26/45/1198042645.db2.gz QJYQOQKKMGXEEO-UHFFFAOYSA-N 1 2 343.358 2.408 20 5 EEBDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000809973821 1199168300 /nfs/dbraw/zinc/16/83/00/1199168300.db2.gz BEKCCEGDWOPREV-ZDUSSCGKSA-N 1 2 335.187 2.485 20 5 EEBDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000809973821 1199168304 /nfs/dbraw/zinc/16/83/04/1199168304.db2.gz BEKCCEGDWOPREV-ZDUSSCGKSA-N 1 2 335.187 2.485 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(c2nccn2C)CC1 ZINC000877642325 1200002026 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EEBDLO CCCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ccc(C)cc1[N+](=O)[O-] ZINC001101245980 1245566034 /nfs/dbraw/zinc/56/60/34/1245566034.db2.gz QHHNTHOVZMYOEN-UHFFFAOYSA-N 1 2 345.403 2.202 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCNC(=O)C=C1CCCCC1 ZINC001234999433 1305079164 /nfs/dbraw/zinc/07/91/64/1305079164.db2.gz GUDXIZCOEMNHBC-UHFFFAOYSA-N 1 2 349.435 2.157 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCNC(=O)C=C1CCCCC1 ZINC001234999433 1305079170 /nfs/dbraw/zinc/07/91/70/1305079170.db2.gz GUDXIZCOEMNHBC-UHFFFAOYSA-N 1 2 349.435 2.157 20 5 EEBDLO Cc1noc(C[N@@H+]2CCCC[C@H]2COC(=O)NC2CC2)c1[N+](=O)[O-] ZINC000852055940 1291975165 /nfs/dbraw/zinc/97/51/65/1291975165.db2.gz YLFODYFTQUEBQN-LBPRGKRZSA-N 1 2 338.364 2.134 20 5 EEBDLO Cc1noc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)c1[N+](=O)[O-] ZINC000852055940 1291975172 /nfs/dbraw/zinc/97/51/72/1291975172.db2.gz YLFODYFTQUEBQN-LBPRGKRZSA-N 1 2 338.364 2.134 20 5 EEBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(Cc3cncs3)CC2)cc1 ZINC000931362582 1297158290 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CCOC1(C)CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000793543223 810398058 /nfs/dbraw/zinc/39/80/58/810398058.db2.gz NWVRENXFRJCDRD-UHFFFAOYSA-N 1 2 335.360 2.351 20 5 EEBDLO O=C(NCCCCNc1cccc[nH+]1)Nc1ccncc1[N+](=O)[O-] ZINC000183591466 235154944 /nfs/dbraw/zinc/15/49/44/235154944.db2.gz BDJGPIHHZQFEAK-UHFFFAOYSA-N 1 2 330.348 2.399 20 5 EEBDLO CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)C1 ZINC000451451581 243119959 /nfs/dbraw/zinc/11/99/59/243119959.db2.gz CWNJXWOMTDWPOE-GXTWGEPZSA-N 1 2 344.371 2.420 20 5 EEBDLO Cc1cc(C)c(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c[nH+]1 ZINC000452049179 243334216 /nfs/dbraw/zinc/33/42/16/243334216.db2.gz RXSLIZFSYDYNIO-UHFFFAOYSA-N 1 2 335.385 2.394 20 5 EEBDLO COC(=O)C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000271293433 256230194 /nfs/dbraw/zinc/23/01/94/256230194.db2.gz RXEJWOSSPRDJGL-UHFFFAOYSA-N 1 2 344.371 2.133 20 5 EEBDLO COC(=O)C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000271293433 256230195 /nfs/dbraw/zinc/23/01/95/256230195.db2.gz RXEJWOSSPRDJGL-UHFFFAOYSA-N 1 2 344.371 2.133 20 5 EEBDLO Cc1nnc([C@H](C)[NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000273563929 256307450 /nfs/dbraw/zinc/30/74/50/256307450.db2.gz DSPLQZWLMXOPLA-VIFPVBQESA-N 1 2 335.389 2.068 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000274182356 256361779 /nfs/dbraw/zinc/36/17/79/256361779.db2.gz PBZDNYJKDBACIS-GXTWGEPZSA-N 1 2 326.418 2.473 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000274182356 256361780 /nfs/dbraw/zinc/36/17/80/256361780.db2.gz PBZDNYJKDBACIS-GXTWGEPZSA-N 1 2 326.418 2.473 20 5 EEBDLO Cc1cc(C(=O)N2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000080483046 159141906 /nfs/dbraw/zinc/14/19/06/159141906.db2.gz ALFLQLSJRSRTLM-UHFFFAOYSA-N 1 2 335.404 2.086 20 5 EEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@H]1C[NH+]2CCN1CC2 ZINC000342786234 161090630 /nfs/dbraw/zinc/09/06/30/161090630.db2.gz UJGSZUKEGREXQY-JTQLQIEISA-N 1 2 331.203 2.313 20 5 EEBDLO CS(=O)(=O)c1cccc(NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000345171985 161278747 /nfs/dbraw/zinc/27/87/47/161278747.db2.gz KDXBPQJNHZWLBW-UHFFFAOYSA-N 1 2 346.368 2.258 20 5 EEBDLO CCc1ccc(C(=O)N(C)CC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000345398089 161298581 /nfs/dbraw/zinc/29/85/81/161298581.db2.gz XTJWWHAFPNHSOB-KBPBESRZSA-N 1 2 349.431 2.338 20 5 EEBDLO Cc1nn(C)c(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1[N+](=O)[O-] ZINC000352844904 162307779 /nfs/dbraw/zinc/30/77/79/162307779.db2.gz VEIKVVMHZVYWRP-UHFFFAOYSA-N 1 2 344.306 2.214 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)Cc1cnn(CC)c1 ZINC000355568512 163233697 /nfs/dbraw/zinc/23/36/97/163233697.db2.gz QAUPUGZCFDABLE-UHFFFAOYSA-N 1 2 348.403 2.204 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)Cc1cnn(CC)c1 ZINC000355568512 163233699 /nfs/dbraw/zinc/23/36/99/163233699.db2.gz QAUPUGZCFDABLE-UHFFFAOYSA-N 1 2 348.403 2.204 20 5 EEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000279433060 269277492 /nfs/dbraw/zinc/27/74/92/269277492.db2.gz ZDRJXXDSUOJWJZ-LLVKDONJSA-N 1 2 341.795 2.041 20 5 EEBDLO Cc1cn(C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)nc1[N+](=O)[O-] ZINC000280458992 269364078 /nfs/dbraw/zinc/36/40/78/269364078.db2.gz WPZCJGCXBIUTSH-CYBMUJFWSA-N 1 2 329.360 2.127 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000282336825 269483529 /nfs/dbraw/zinc/48/35/29/269483529.db2.gz LWJXWFSUKKGDJL-YPMHNXCESA-N 1 2 337.376 2.041 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000282336825 269483531 /nfs/dbraw/zinc/48/35/31/269483531.db2.gz LWJXWFSUKKGDJL-YPMHNXCESA-N 1 2 337.376 2.041 20 5 EEBDLO CC(=O)c1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286359954 274863943 /nfs/dbraw/zinc/86/39/43/274863943.db2.gz NDADTFXXSAQKPZ-SWLSCSKDSA-N 1 2 333.388 2.097 20 5 EEBDLO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000288075454 275020885 /nfs/dbraw/zinc/02/08/85/275020885.db2.gz HHYFMJUENYOGMZ-UHFFFAOYSA-N 1 2 348.407 2.047 20 5 EEBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000255850282 292720986 /nfs/dbraw/zinc/72/09/86/292720986.db2.gz YYSQPJQXNXEKAE-WLMCBFPDSA-N 1 2 326.356 2.496 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Cc1ccccc1 ZINC000027587789 289287639 /nfs/dbraw/zinc/28/76/39/289287639.db2.gz XIBKBEYLIQRSIT-OAHLLOKOSA-N 1 2 343.383 2.203 20 5 EEBDLO CC1(C)CC[C@@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000293114348 293129475 /nfs/dbraw/zinc/12/94/75/293129475.db2.gz LVQCIDIFBVUAHR-AWEZNQCLSA-N 1 2 347.415 2.310 20 5 EEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000295398721 293706438 /nfs/dbraw/zinc/70/64/38/293706438.db2.gz SFZOZZTWSXHDHJ-CYBMUJFWSA-N 1 2 341.433 2.008 20 5 EEBDLO Cc1nc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000296658311 294032712 /nfs/dbraw/zinc/03/27/12/294032712.db2.gz YCWXPLPPTMXWBL-INIZCTEOSA-N 1 2 343.387 2.179 20 5 EEBDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000161112450 311362362 /nfs/dbraw/zinc/36/23/62/311362362.db2.gz NCWJRMZRDVGYDG-CYBMUJFWSA-N 1 2 345.403 2.486 20 5 EEBDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000161112450 311362364 /nfs/dbraw/zinc/36/23/64/311362364.db2.gz NCWJRMZRDVGYDG-CYBMUJFWSA-N 1 2 345.403 2.486 20 5 EEBDLO C[C@@H]([NH2+]Cc1nnnn1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000537078678 318013007 /nfs/dbraw/zinc/01/30/07/318013007.db2.gz ODWGYCQEKAJCAR-CYBMUJFWSA-N 1 2 338.371 2.480 20 5 EEBDLO O=C1NCCN1[C@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000564544575 319090406 /nfs/dbraw/zinc/09/04/06/319090406.db2.gz OHLIWDACHFRUEQ-AWEZNQCLSA-N 1 2 341.371 2.137 20 5 EEBDLO CO[C@H]1CC[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000572613105 319862544 /nfs/dbraw/zinc/86/25/44/319862544.db2.gz VGKIUAAKXRUBGW-CABCVRRESA-N 1 2 335.404 2.406 20 5 EEBDLO C[N@@H+]1CCO[C@H](CSc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000580188844 324012527 /nfs/dbraw/zinc/01/25/27/324012527.db2.gz WFNZVUMBGQRWLJ-QMMMGPOBSA-N 1 2 337.323 2.431 20 5 EEBDLO C[N@H+]1CCO[C@H](CSc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000580188844 324012531 /nfs/dbraw/zinc/01/25/31/324012531.db2.gz WFNZVUMBGQRWLJ-QMMMGPOBSA-N 1 2 337.323 2.431 20 5 EEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2cn3ccccc3[nH+]2)n1 ZINC000341340262 465119647 /nfs/dbraw/zinc/11/96/47/465119647.db2.gz DLNGUYNOBGFPFQ-UHFFFAOYSA-N 1 2 327.300 2.036 20 5 EEBDLO COC[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccco1 ZINC000347616988 465125610 /nfs/dbraw/zinc/12/56/10/465125610.db2.gz PSIIMKAOTLBANJ-LBPRGKRZSA-N 1 2 333.344 2.412 20 5 EEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccn(C(F)F)n3)C2)nc1 ZINC000347656568 465153431 /nfs/dbraw/zinc/15/34/31/465153431.db2.gz BHYHDTIXPHGQJY-SNVBAGLBSA-N 1 2 338.318 2.268 20 5 EEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccn(C(F)F)n3)C2)nc1 ZINC000347656568 465153437 /nfs/dbraw/zinc/15/34/37/465153437.db2.gz BHYHDTIXPHGQJY-SNVBAGLBSA-N 1 2 338.318 2.268 20 5 EEBDLO CCOC(=O)CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000130253348 462747609 /nfs/dbraw/zinc/74/76/09/462747609.db2.gz ADPYDPVTSYJERM-UHFFFAOYSA-N 1 2 349.387 2.199 20 5 EEBDLO COc1ccccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000076290806 462836937 /nfs/dbraw/zinc/83/69/37/462836937.db2.gz YBMXSHFQUNRWQA-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO O=C(NCc1cn2ccccc2[nH+]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000078250826 463094776 /nfs/dbraw/zinc/09/47/76/463094776.db2.gz BOSHVIMKGUOITI-UHFFFAOYSA-N 1 2 336.311 2.049 20 5 EEBDLO C[C@H]1C[NH+]=C(N2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)S1 ZINC000079497489 463220773 /nfs/dbraw/zinc/22/07/73/463220773.db2.gz BWRMYUYLBDXIPW-NSHDSACASA-N 1 2 338.408 2.343 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000069349572 463234288 /nfs/dbraw/zinc/23/42/88/463234288.db2.gz SDJNUPPTVSJMEV-HNNXBMFYSA-N 1 2 335.404 2.435 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000069349572 463234291 /nfs/dbraw/zinc/23/42/91/463234291.db2.gz SDJNUPPTVSJMEV-HNNXBMFYSA-N 1 2 335.404 2.435 20 5 EEBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000057842970 463523845 /nfs/dbraw/zinc/52/38/45/463523845.db2.gz IUMKEPFRCWIPGG-GFCCVEGCSA-N 1 2 349.412 2.435 20 5 EEBDLO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000057842970 463523848 /nfs/dbraw/zinc/52/38/48/463523848.db2.gz IUMKEPFRCWIPGG-GFCCVEGCSA-N 1 2 349.412 2.435 20 5 EEBDLO CCOC(=O)N1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169895 463537243 /nfs/dbraw/zinc/53/72/43/463537243.db2.gz KUXIMPWBOSWZCQ-UHFFFAOYSA-N 1 2 348.359 2.400 20 5 EEBDLO CCOC(=O)N1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169895 463537245 /nfs/dbraw/zinc/53/72/45/463537245.db2.gz KUXIMPWBOSWZCQ-UHFFFAOYSA-N 1 2 348.359 2.400 20 5 EEBDLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286989880 463764756 /nfs/dbraw/zinc/76/47/56/463764756.db2.gz DTMCWOYKMBTIBT-DZGCQCFKSA-N 1 2 348.403 2.230 20 5 EEBDLO Cc1c(C[NH+]2CCN(C(=O)c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000194155933 463803424 /nfs/dbraw/zinc/80/34/24/463803424.db2.gz KJXRYSGUTCQSNT-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO CCc1ccc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000194769041 463926466 /nfs/dbraw/zinc/92/64/66/463926466.db2.gz XTJWWHAFPNHSOB-OKILXGFUSA-N 1 2 349.431 2.338 20 5 EEBDLO CCc1ccc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000194769041 463926470 /nfs/dbraw/zinc/92/64/70/463926470.db2.gz XTJWWHAFPNHSOB-OKILXGFUSA-N 1 2 349.431 2.338 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000194949744 463965375 /nfs/dbraw/zinc/96/53/75/463965375.db2.gz BAPHHVXBDVKSQX-CYBMUJFWSA-N 1 2 326.356 2.307 20 5 EEBDLO C[C@@H]1C[N@@H+](CCN(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000278821123 463994930 /nfs/dbraw/zinc/99/49/30/463994930.db2.gz JGDYGTLZFXYBRA-TXEJJXNPSA-N 1 2 338.364 2.048 20 5 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464231001 /nfs/dbraw/zinc/23/10/01/464231001.db2.gz VCDUORQFWUAPKP-UHFFFAOYSA-N 1 2 331.376 2.449 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000298701978 465476399 /nfs/dbraw/zinc/47/63/99/465476399.db2.gz SHPIFSGMSUSEKC-ZDUSSCGKSA-N 1 2 343.343 2.097 20 5 EEBDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000295030784 464683905 /nfs/dbraw/zinc/68/39/05/464683905.db2.gz IKIKLTVMHLXART-UHFFFAOYSA-N 1 2 341.795 2.089 20 5 EEBDLO CC1(C)C[N@@H+](CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000295030784 464683912 /nfs/dbraw/zinc/68/39/12/464683912.db2.gz IKIKLTVMHLXART-UHFFFAOYSA-N 1 2 341.795 2.089 20 5 EEBDLO C[C@@H]1C[NH+]=C(N2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)S1 ZINC000276310800 464884757 /nfs/dbraw/zinc/88/47/57/464884757.db2.gz MEPQNGOYOPNMEC-LLVKDONJSA-N 1 2 338.408 2.343 20 5 EEBDLO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295572042 464886150 /nfs/dbraw/zinc/88/61/50/464886150.db2.gz ARFDMYMPUYCABM-NSHDSACASA-N 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332.385 2.258 20 5 EEBDLO CC(C)(C(=O)N[C@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000598945385 469061414 /nfs/dbraw/zinc/06/14/14/469061414.db2.gz BBDXQQYDNWMIKL-ZDUSSCGKSA-N 1 2 328.372 2.200 20 5 EEBDLO COC1CC[NH+](Cc2cn(Cc3cccc([N+](=O)[O-])c3C)nn2)CC1 ZINC000603195345 469305798 /nfs/dbraw/zinc/30/57/98/469305798.db2.gz HQHCHUFAHWPRCB-UHFFFAOYSA-N 1 2 345.403 2.154 20 5 EEBDLO CC(C)[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000619154646 469539252 /nfs/dbraw/zinc/53/92/52/469539252.db2.gz BHMCVCSMMFWJRY-SFHVURJKSA-N 1 2 349.431 2.288 20 5 EEBDLO COC(=O)c1cc(NC(=O)CCCn2cc[nH+]c2)c(C)c([N+](=O)[O-])c1 ZINC000617151966 469607864 /nfs/dbraw/zinc/60/78/64/469607864.db2.gz GQGWQYQWODCLBG-UHFFFAOYSA-N 1 2 346.343 2.305 20 5 EEBDLO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000619777535 469681027 /nfs/dbraw/zinc/68/10/27/469681027.db2.gz GNDYWAHOXFSZHX-AWEZNQCLSA-N 1 2 334.763 2.363 20 5 EEBDLO CC[C@@H](O)[C@@H](CC)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456645702 535814854 /nfs/dbraw/zinc/81/48/54/535814854.db2.gz YJWUQUYOLAQKFV-IUODEOHRSA-N 1 2 332.360 2.060 20 5 EEBDLO CC(C)OC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000730563500 577042853 /nfs/dbraw/zinc/04/28/53/577042853.db2.gz GWKUEKXILJHTTI-UHFFFAOYSA-N 1 2 335.360 2.350 20 5 EEBDLO O=C(COC(=O)c1ccc2[nH+]ccn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000732348704 577173371 /nfs/dbraw/zinc/17/33/71/577173371.db2.gz NYJWJSGXSKMVLB-UHFFFAOYSA-N 1 2 325.280 2.282 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000774986302 577425476 /nfs/dbraw/zinc/42/54/76/577425476.db2.gz GZCJSKWAFRIVMO-LLVKDONJSA-N 1 2 340.401 2.084 20 5 EEBDLO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000769339351 577575440 /nfs/dbraw/zinc/57/54/40/577575440.db2.gz VXKSEFOSRGMFKI-AWEZNQCLSA-N 1 2 333.388 2.277 20 5 EEBDLO O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000769339351 577575441 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349.387 2.259 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001059271977 683866108 /nfs/dbraw/zinc/86/61/08/683866108.db2.gz KZMPYMOFKFKSEL-XYPYZODXSA-N 1 2 347.350 2.067 20 5 EEBDLO C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246191 684381040 /nfs/dbraw/zinc/38/10/40/684381040.db2.gz MTPRKRBTIYRYLT-WBMJQRKESA-N 1 2 329.404 2.189 20 5 EEBDLO C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895246191 684381042 /nfs/dbraw/zinc/38/10/42/684381042.db2.gz MTPRKRBTIYRYLT-WBMJQRKESA-N 1 2 329.404 2.189 20 5 EEBDLO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000263527452 690050469 /nfs/dbraw/zinc/05/04/69/690050469.db2.gz USGORHCJLLCHPR-UHFFFAOYSA-N 1 2 333.388 2.012 20 5 EEBDLO O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000263527452 690050471 /nfs/dbraw/zinc/05/04/71/690050471.db2.gz USGORHCJLLCHPR-UHFFFAOYSA-N 1 2 333.388 2.012 20 5 EEBDLO 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EEBDLO CN(C)c1ccccc1C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289125484 275100391 /nfs/dbraw/zinc/10/03/91/275100391.db2.gz XIOKBLFRBNATGY-UHFFFAOYSA-N 1 2 342.399 2.392 20 5 EEBDLO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289125484 275100392 /nfs/dbraw/zinc/10/03/92/275100392.db2.gz XIOKBLFRBNATGY-UHFFFAOYSA-N 1 2 342.399 2.392 20 5 EEBDLO CCn1cc[nH+]c1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000297178336 294172875 /nfs/dbraw/zinc/17/28/75/294172875.db2.gz KWCYBSPMONAHJS-UHFFFAOYSA-N 1 2 343.387 2.341 20 5 EEBDLO Cc1nc([N+](=O)[O-])cn1CCc1nc(Cc2ccc(C)[nH+]c2)no1 ZINC000350638363 312335724 /nfs/dbraw/zinc/33/57/24/312335724.db2.gz WMCQGAOOFAKVMT-UHFFFAOYSA-N 1 2 328.332 2.020 20 5 EEBDLO Cc1nn(CCc2nc(Cc3ccc[nH+]c3C)no2)c(C)c1[N+](=O)[O-] ZINC000351233372 312374870 /nfs/dbraw/zinc/37/48/70/312374870.db2.gz LRDHNRNDAWVVST-UHFFFAOYSA-N 1 2 342.359 2.328 20 5 EEBDLO CC[C@](C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC ZINC000452718687 315588599 /nfs/dbraw/zinc/58/85/99/315588599.db2.gz QUYFJNIDYGEPIZ-MRXNPFEDSA-N 1 2 332.360 2.325 20 5 EEBDLO C[C@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCO1 ZINC000531029881 317765670 /nfs/dbraw/zinc/76/56/70/317765670.db2.gz VQYCPOWXKSEMHC-MRXNPFEDSA-N 1 2 330.344 2.079 20 5 EEBDLO Cc1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)c(C)c[nH+]1 ZINC000536574759 318001768 /nfs/dbraw/zinc/00/17/68/318001768.db2.gz BXXWONXLJSNJSR-UHFFFAOYSA-N 1 2 337.339 2.467 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]([NH+]3CCOCC3)C2)c(F)c1 ZINC000563364656 319001051 /nfs/dbraw/zinc/00/10/51/319001051.db2.gz NUEPDPXUNIVCPC-LBPRGKRZSA-N 1 2 341.358 2.170 20 5 EEBDLO COC[C@@H]1C[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000251517043 464936786 /nfs/dbraw/zinc/93/67/86/464936786.db2.gz CKYVYXCTPIGEGA-LRDDRELGSA-N 1 2 347.371 2.486 20 5 EEBDLO COC[C@@H]1C[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)O1 ZINC000251517043 464936792 /nfs/dbraw/zinc/93/67/92/464936792.db2.gz CKYVYXCTPIGEGA-LRDDRELGSA-N 1 2 347.371 2.486 20 5 EEBDLO CC(C)n1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000296132028 465091299 /nfs/dbraw/zinc/09/12/99/465091299.db2.gz WINWZGZMHNJJJL-UHFFFAOYSA-N 1 2 330.392 2.089 20 5 EEBDLO COC(=O)[C@H](C)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355562227 465257186 /nfs/dbraw/zinc/25/71/86/465257186.db2.gz ZOQYDRKJBBJBDC-CYBMUJFWSA-N 1 2 346.387 2.140 20 5 EEBDLO COC(=O)[C@H](C)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccccc1 ZINC000355562227 465257193 /nfs/dbraw/zinc/25/71/93/465257193.db2.gz ZOQYDRKJBBJBDC-CYBMUJFWSA-N 1 2 346.387 2.140 20 5 EEBDLO CCS[C@@H](C)c1noc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000128237279 462621353 /nfs/dbraw/zinc/62/13/53/462621353.db2.gz JFXALDBBZKYEIT-JTQLQIEISA-N 1 2 340.409 2.120 20 5 EEBDLO CCS[C@@H](C)c1noc(C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000128237279 462621355 /nfs/dbraw/zinc/62/13/55/462621355.db2.gz JFXALDBBZKYEIT-JTQLQIEISA-N 1 2 340.409 2.120 20 5 EEBDLO O=C(Nc1cc[nH+]cc1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000153839177 462698362 /nfs/dbraw/zinc/69/83/62/462698362.db2.gz SPBLIMFUDKWJFR-UHFFFAOYSA-N 1 2 325.284 2.133 20 5 EEBDLO CNc1ccc(C(=O)NCCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000011534830 462834637 /nfs/dbraw/zinc/83/46/37/462834637.db2.gz NRWPIKTZNYOKCM-UHFFFAOYSA-N 1 2 339.355 2.257 20 5 EEBDLO CCOC(=O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccccc1 ZINC000119106772 462876140 /nfs/dbraw/zinc/87/61/40/462876140.db2.gz XYSOSBRYZDBDIO-CQSZACIVSA-N 1 2 346.387 2.418 20 5 EEBDLO CCOC(=O)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccccc1 ZINC000119106772 462876143 /nfs/dbraw/zinc/87/61/43/462876143.db2.gz XYSOSBRYZDBDIO-CQSZACIVSA-N 1 2 346.387 2.418 20 5 EEBDLO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000093613142 463043327 /nfs/dbraw/zinc/04/33/27/463043327.db2.gz RMNHIIJJKDRGIV-HOTGVXAUSA-N 1 2 336.388 2.052 20 5 EEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCn1cc[nH+]c1 ZINC000068352998 463126289 /nfs/dbraw/zinc/12/62/89/463126289.db2.gz UBBZSOZOBFLENF-JTQLQIEISA-N 1 2 338.751 2.028 20 5 EEBDLO C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@H]1n1cc[nH+]c1 ZINC000124299932 463407994 /nfs/dbraw/zinc/40/79/94/463407994.db2.gz FGDUNXOKCQRGHU-SMDDNHRTSA-N 1 2 329.360 2.097 20 5 EEBDLO COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000165692681 463646340 /nfs/dbraw/zinc/64/63/40/463646340.db2.gz YSJZEGDUNGAXGU-CYBMUJFWSA-N 1 2 349.387 2.259 20 5 EEBDLO COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000165692681 463646343 /nfs/dbraw/zinc/64/63/43/463646343.db2.gz YSJZEGDUNGAXGU-CYBMUJFWSA-N 1 2 349.387 2.259 20 5 EEBDLO CCOc1cc(N2CC[NH+](Cc3ccn(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000279658735 464122919 /nfs/dbraw/zinc/12/29/19/464122919.db2.gz GAYBAWSESSNAEG-UHFFFAOYSA-N 1 2 345.403 2.049 20 5 EEBDLO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ncc([N+](=O)[O-])s1 ZINC000281764610 464576980 /nfs/dbraw/zinc/57/69/80/464576980.db2.gz CTGOONRZPFRESK-GFCCVEGCSA-N 1 2 348.432 2.069 20 5 EEBDLO Cc1cc(Cl)c(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000294735904 464589496 /nfs/dbraw/zinc/58/94/96/464589496.db2.gz BZFTZMMKGSAQAC-LLVKDONJSA-N 1 2 341.795 2.007 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000182637029 464699078 /nfs/dbraw/zinc/69/90/78/464699078.db2.gz JZGDVWCKXLKUKA-PBHICJAKSA-N 1 2 347.415 2.287 20 5 EEBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000347971795 465343475 /nfs/dbraw/zinc/34/34/75/465343475.db2.gz TWZBQUSWNDPZRK-LBPRGKRZSA-N 1 2 340.343 2.385 20 5 EEBDLO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000343035153 465467804 /nfs/dbraw/zinc/46/78/04/465467804.db2.gz RXHJSAMSZQTSFA-VIFPVBQESA-N 1 2 334.203 2.404 20 5 EEBDLO C[C@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000343035153 465467809 /nfs/dbraw/zinc/46/78/09/465467809.db2.gz RXHJSAMSZQTSFA-VIFPVBQESA-N 1 2 334.203 2.404 20 5 EEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)CCC2 ZINC000356788506 465541815 /nfs/dbraw/zinc/54/18/15/465541815.db2.gz WUQRDHHZWPRDHG-NSHDSACASA-N 1 2 330.344 2.113 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000344597531 465707215 /nfs/dbraw/zinc/70/72/15/465707215.db2.gz NRPCOWYSKRHEKO-AWEZNQCLSA-N 1 2 330.344 2.218 20 5 EEBDLO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346166169 465953105 /nfs/dbraw/zinc/95/31/05/465953105.db2.gz FEQSDRUJUJQTPH-OUCADQQQSA-N 1 2 333.388 2.103 20 5 EEBDLO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346166169 465953116 /nfs/dbraw/zinc/95/31/16/465953116.db2.gz FEQSDRUJUJQTPH-OUCADQQQSA-N 1 2 333.388 2.103 20 5 EEBDLO Cc1nc(C)n(C[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)n1 ZINC000331711025 466209514 /nfs/dbraw/zinc/20/95/14/466209514.db2.gz CYPLFDYFFJGONX-MRXNPFEDSA-N 1 2 345.403 2.013 20 5 EEBDLO Cc1nc(C)n(C[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3C)CCO2)n1 ZINC000331711025 466209516 /nfs/dbraw/zinc/20/95/16/466209516.db2.gz CYPLFDYFFJGONX-MRXNPFEDSA-N 1 2 345.403 2.013 20 5 EEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])CCC2 ZINC000372250499 466250369 /nfs/dbraw/zinc/25/03/69/466250369.db2.gz SYZKXKHKUCHIEY-ZDUSSCGKSA-N 1 2 344.371 2.172 20 5 EEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]2c2[nH]cc[nH+]2)s1 ZINC000363669972 466547988 /nfs/dbraw/zinc/54/79/88/466547988.db2.gz DMALRFQAGPXJGZ-QMMMGPOBSA-N 1 2 342.402 2.124 20 5 EEBDLO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2CF)cc1[N+](=O)[O-] ZINC000354522180 466627394 /nfs/dbraw/zinc/62/73/94/466627394.db2.gz QENKACZOFJIDBO-GFCCVEGCSA-N 1 2 326.324 2.081 20 5 EEBDLO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2CF)cc1[N+](=O)[O-] ZINC000354522180 466627397 /nfs/dbraw/zinc/62/73/97/466627397.db2.gz QENKACZOFJIDBO-GFCCVEGCSA-N 1 2 326.324 2.081 20 5 EEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411845102 466916879 /nfs/dbraw/zinc/91/68/79/466916879.db2.gz NSRWAVOVTKYQQO-GFCCVEGCSA-N 1 2 343.387 2.104 20 5 EEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCCc2c(cnn2C)C1 ZINC000411845102 466916882 /nfs/dbraw/zinc/91/68/82/466916882.db2.gz NSRWAVOVTKYQQO-GFCCVEGCSA-N 1 2 343.387 2.104 20 5 EEBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](n4ccnn4)C3)nc2c1 ZINC000425496254 467099395 /nfs/dbraw/zinc/09/93/95/467099395.db2.gz AHHXJUNUFPBEOE-LBPRGKRZSA-N 1 2 328.332 2.165 20 5 EEBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](n4ccnn4)C3)nc2c1 ZINC000425496254 467099400 /nfs/dbraw/zinc/09/94/00/467099400.db2.gz AHHXJUNUFPBEOE-LBPRGKRZSA-N 1 2 328.332 2.165 20 5 EEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000455456354 467685384 /nfs/dbraw/zinc/68/53/84/467685384.db2.gz AMAVRXSQQASFHQ-GASCZTMLSA-N 1 2 348.403 2.142 20 5 EEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000455456354 467685388 /nfs/dbraw/zinc/68/53/88/467685388.db2.gz AMAVRXSQQASFHQ-GASCZTMLSA-N 1 2 348.403 2.142 20 5 EEBDLO CC(C)(C)C[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449885182 467736661 /nfs/dbraw/zinc/73/66/61/467736661.db2.gz RTQSMNJSFCDZDL-ZDUSSCGKSA-N 1 2 346.387 2.307 20 5 EEBDLO COc1cc[nH+]cc1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492799932 467756243 /nfs/dbraw/zinc/75/62/43/467756243.db2.gz NQTWRUCVMOHURI-HWKANZROSA-N 1 2 331.303 2.467 20 5 EEBDLO CC1(F)CC[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000600888550 468676220 /nfs/dbraw/zinc/67/62/20/468676220.db2.gz ZHLQMKXWXLPRDS-ZDUSSCGKSA-N 1 2 335.335 2.051 20 5 EEBDLO CCC[C@H](CCO)Nc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000601212520 468783784 /nfs/dbraw/zinc/78/37/84/468783784.db2.gz NIDTUCMGYGDPHE-OAHLLOKOSA-N 1 2 337.420 2.390 20 5 EEBDLO Cc1noc(C[NH2+][C@@H](CC(=O)N(C)C)c2ccccc2)c1[N+](=O)[O-] ZINC000595413395 468843830 /nfs/dbraw/zinc/84/38/30/468843830.db2.gz AKXWFAPADDOGPD-ZDUSSCGKSA-N 1 2 332.360 2.200 20 5 EEBDLO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)CO1 ZINC000593282790 468927325 /nfs/dbraw/zinc/92/73/25/468927325.db2.gz ZCQATCSONVMQEV-GXTWGEPZSA-N 1 2 344.371 2.420 20 5 EEBDLO CC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593286572 468929250 /nfs/dbraw/zinc/92/92/50/468929250.db2.gz ZHWJVUQHGWFYSZ-JSGCOSHPSA-N 1 2 344.371 2.420 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598950029 469063749 /nfs/dbraw/zinc/06/37/49/469063749.db2.gz ZWTNVBKJUUATNA-ZDUSSCGKSA-N 1 2 328.372 2.461 20 5 EEBDLO CCn1nccc1CN[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000596093714 469151884 /nfs/dbraw/zinc/15/18/84/469151884.db2.gz FBYDKIGCRPHPQN-INIZCTEOSA-N 1 2 340.387 2.424 20 5 EEBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc3c(cnn3C)c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000611404554 469242312 /nfs/dbraw/zinc/24/23/12/469242312.db2.gz UTNBJIFWLDAHDO-JTQLQIEISA-N 1 2 342.359 2.136 20 5 EEBDLO CC1(C)C[C@@H]([NH2+]Cc2nnnn2C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000618986666 469488925 /nfs/dbraw/zinc/48/89/25/469488925.db2.gz 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CC(C)[C@H]1CCC[N@@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000755269988 577822780 /nfs/dbraw/zinc/82/27/80/577822780.db2.gz SBVRGTAAIAHVJW-CQSZACIVSA-N 1 2 332.360 2.489 20 5 EEBDLO CC(C)[C@H]1CCC[N@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000755269988 577822781 /nfs/dbraw/zinc/82/27/81/577822781.db2.gz SBVRGTAAIAHVJW-CQSZACIVSA-N 1 2 332.360 2.489 20 5 EEBDLO CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000932972024 676385376 /nfs/dbraw/zinc/38/53/76/676385376.db2.gz PRPUCQAQTZMBSN-YPMHNXCESA-N 1 2 337.376 2.041 20 5 EEBDLO CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000932972024 676385379 /nfs/dbraw/zinc/38/53/79/676385379.db2.gz PRPUCQAQTZMBSN-YPMHNXCESA-N 1 2 337.376 2.041 20 5 EEBDLO C[N@H+](CCn1cccn1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000111281539 693969453 /nfs/dbraw/zinc/96/94/53/693969453.db2.gz JXXQRKVWPVXMLM-UHFFFAOYSA-N 1 2 337.767 2.015 20 5 EEBDLO C[N@@H+](CCn1cccn1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000111281539 693969458 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ZINC000128378104 292341309 /nfs/dbraw/zinc/34/13/09/292341309.db2.gz JXYLCOOREIWTSG-UHFFFAOYSA-N 1 2 335.404 2.326 20 5 EEBDLO Cc1c(C(=O)Nc2cc[nH+]cc2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000107291250 159330072 /nfs/dbraw/zinc/33/00/72/159330072.db2.gz IRJLELBQMSIZDU-UHFFFAOYSA-N 1 2 338.327 2.440 20 5 EEBDLO Cc1cccc(CC2(O)CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000376020037 167246185 /nfs/dbraw/zinc/24/61/85/167246185.db2.gz DFGYUSJCADSGEG-UHFFFAOYSA-N 1 2 344.415 2.206 20 5 EEBDLO Cc1ccc(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000278654139 269239768 /nfs/dbraw/zinc/23/97/68/269239768.db2.gz JXTHNZLBUUFLEZ-AWEZNQCLSA-N 1 2 326.418 2.302 20 5 EEBDLO Cc1ccc(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000278654139 269239769 /nfs/dbraw/zinc/23/97/69/269239769.db2.gz JXTHNZLBUUFLEZ-AWEZNQCLSA-N 1 2 326.418 2.302 20 5 EEBDLO C[C@@H](Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000272095132 274166045 /nfs/dbraw/zinc/16/60/45/274166045.db2.gz YDXYRSLEBHJFJR-CQSZACIVSA-N 1 2 345.403 2.297 20 5 EEBDLO C[C@@H](CNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000272344018 274168254 /nfs/dbraw/zinc/16/82/54/274168254.db2.gz NODGCLTUCJPKKI-NSHDSACASA-N 1 2 338.314 2.336 20 5 EEBDLO C[NH+]1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 ZINC000281089951 274630389 /nfs/dbraw/zinc/63/03/89/274630389.db2.gz DSMATPHWEWGPPP-UHFFFAOYSA-N 1 2 326.356 2.044 20 5 EEBDLO CC(=O)c1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286359950 274863945 /nfs/dbraw/zinc/86/39/45/274863945.db2.gz NDADTFXXSAQKPZ-DOMZBBRYSA-N 1 2 333.388 2.097 20 5 EEBDLO COC(=O)c1cc([N+](=O)[O-])c(N2CCn3c[nH+]cc3C2)cc1Cl ZINC000290595148 275221349 /nfs/dbraw/zinc/22/13/49/275221349.db2.gz DJKUEIUCEOQDHO-UHFFFAOYSA-N 1 2 336.735 2.252 20 5 EEBDLO CC(C)([NH2+]Cc1nnnn1CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000292081803 275373253 /nfs/dbraw/zinc/37/32/53/275373253.db2.gz FSJZKXQDSBGHEB-UHFFFAOYSA-N 1 2 344.297 2.169 20 5 EEBDLO CC(=O)c1ccc(N2CCC[C@@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000160424089 278246936 /nfs/dbraw/zinc/24/69/36/278246936.db2.gz JDTXKWMTUIWTMP-OAHLLOKOSA-N 1 2 333.388 2.098 20 5 EEBDLO Cc1cnc(N2CCN(C3=[NH+]CC(C)(C)S3)CC2)c([N+](=O)[O-])c1 ZINC000268216899 279015286 /nfs/dbraw/zinc/01/52/86/279015286.db2.gz RQKZSLFCMKWWSA-UHFFFAOYSA-N 1 2 335.433 2.302 20 5 EEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000295220238 293651078 /nfs/dbraw/zinc/65/10/78/293651078.db2.gz AZSXUBFWPDGXKV-LBPRGKRZSA-N 1 2 341.433 2.008 20 5 EEBDLO C[C@@H]1C[NH+]=C(N2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)S1 ZINC000301787701 294894655 /nfs/dbraw/zinc/89/46/55/294894655.db2.gz MNRRFSSEYKFIPX-SECBINFHSA-N 1 2 342.371 2.486 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000451947917 302050413 /nfs/dbraw/zinc/05/04/13/302050413.db2.gz RQEYJRJADRPYNP-MNOVXSKESA-N 1 2 336.373 2.084 20 5 EEBDLO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000170957371 311399272 /nfs/dbraw/zinc/39/92/72/311399272.db2.gz SDQGCVKKEAPJNJ-UHFFFAOYSA-N 1 2 339.396 2.080 20 5 EEBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000452335431 315520744 /nfs/dbraw/zinc/52/07/44/315520744.db2.gz QCAZSMAGOSVQND-UHFFFAOYSA-N 1 2 326.316 2.256 20 5 EEBDLO CCOC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000495707717 316066032 /nfs/dbraw/zinc/06/60/32/316066032.db2.gz ISCRGXNUKZSAQL-UHFFFAOYSA-N 1 2 337.376 2.268 20 5 EEBDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000495707717 316066035 /nfs/dbraw/zinc/06/60/35/316066035.db2.gz ISCRGXNUKZSAQL-UHFFFAOYSA-N 1 2 337.376 2.268 20 5 EEBDLO CNc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000565987561 319232247 /nfs/dbraw/zinc/23/22/47/319232247.db2.gz ROPVAIZFBJIKCV-UHFFFAOYSA-N 1 2 343.387 2.442 20 5 EEBDLO C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(N)=O ZINC000339210544 465143590 /nfs/dbraw/zinc/14/35/90/465143590.db2.gz MHYNIRYEFPZHFW-BDJLRTHQSA-N 1 2 329.356 2.048 20 5 EEBDLO CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000074449073 462600538 /nfs/dbraw/zinc/60/05/38/462600538.db2.gz FBRNTXQPRWIXJD-UHFFFAOYSA-N 1 2 330.344 2.032 20 5 EEBDLO O=c1c([N+](=O)[O-])cc(Br)cn1Cc1[nH+]ccn1C(F)F ZINC000153463176 462653221 /nfs/dbraw/zinc/65/32/21/462653221.db2.gz UEFKAJLJEJTHMS-UHFFFAOYSA-N 1 2 349.091 2.159 20 5 EEBDLO Cc1ccc(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] ZINC000093392151 463035117 /nfs/dbraw/zinc/03/51/17/463035117.db2.gz MSDZCPBINKKQDT-GFCCVEGCSA-N 1 2 326.418 2.301 20 5 EEBDLO Cc1ccc(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] ZINC000093392151 463035122 /nfs/dbraw/zinc/03/51/22/463035122.db2.gz MSDZCPBINKKQDT-GFCCVEGCSA-N 1 2 326.418 2.301 20 5 EEBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2[nH+]ccn2c1 ZINC000068186030 463102941 /nfs/dbraw/zinc/10/29/41/463102941.db2.gz XKVUJKMKSNFWPO-UHFFFAOYSA-N 1 2 326.312 2.051 20 5 EEBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000159245754 463276048 /nfs/dbraw/zinc/27/60/48/463276048.db2.gz JUHIXISLQNUYPA-NSHDSACASA-N 1 2 340.343 2.005 20 5 EEBDLO COC[C@](C)(O)CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000069800002 463327742 /nfs/dbraw/zinc/32/77/42/463327742.db2.gz QMYYZKRLQQGXAU-MRXNPFEDSA-N 1 2 332.360 2.170 20 5 EEBDLO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000071014934 463402153 /nfs/dbraw/zinc/40/21/53/463402153.db2.gz QVQKOURRFAITOG-AWEZNQCLSA-N 1 2 342.417 2.003 20 5 EEBDLO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC000071014934 463402154 /nfs/dbraw/zinc/40/21/54/463402154.db2.gz QVQKOURRFAITOG-AWEZNQCLSA-N 1 2 342.417 2.003 20 5 EEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC000042513079 463571176 /nfs/dbraw/zinc/57/11/76/463571176.db2.gz DOHREFDHDFHSJJ-NSHDSACASA-N 1 2 348.359 2.017 20 5 EEBDLO CCn1cc(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000072988903 463571455 /nfs/dbraw/zinc/57/14/55/463571455.db2.gz BOEPNKQKEUOLFW-INIZCTEOSA-N 1 2 343.387 2.049 20 5 EEBDLO CCn1cc(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000072988903 463571460 /nfs/dbraw/zinc/57/14/60/463571460.db2.gz BOEPNKQKEUOLFW-INIZCTEOSA-N 1 2 343.387 2.049 20 5 EEBDLO CCOc1cc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000042513317 463571509 /nfs/dbraw/zinc/57/15/09/463571509.db2.gz GZECIGFASLRARK-LLVKDONJSA-N 1 2 348.359 2.017 20 5 EEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000255658490 463740409 /nfs/dbraw/zinc/74/04/09/463740409.db2.gz ZLGPZZMKENKGHS-UYWPIULCSA-N 1 2 336.413 2.260 20 5 EEBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000255658490 463740413 /nfs/dbraw/zinc/74/04/13/463740413.db2.gz ZLGPZZMKENKGHS-UYWPIULCSA-N 1 2 336.413 2.260 20 5 EEBDLO COc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000178056878 463837207 /nfs/dbraw/zinc/83/72/07/463837207.db2.gz AEXDHHPBOXJZJI-UHFFFAOYSA-N 1 2 326.312 2.181 20 5 EEBDLO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000269830558 464106364 /nfs/dbraw/zinc/10/63/64/464106364.db2.gz PQNZCHVVXHEPQX-MNOVXSKESA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@@H](O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000269830558 464106372 /nfs/dbraw/zinc/10/63/72/464106372.db2.gz PQNZCHVVXHEPQX-MNOVXSKESA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292392291 464216633 /nfs/dbraw/zinc/21/66/33/464216633.db2.gz KMPRHOADBDQZKW-ONGXEEELSA-N 1 2 327.768 2.032 20 5 EEBDLO C[C@H]1C[C@@H](O)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292392291 464216641 /nfs/dbraw/zinc/21/66/41/464216641.db2.gz KMPRHOADBDQZKW-ONGXEEELSA-N 1 2 327.768 2.032 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(NCc2ccc[nH+]c2N2CCOCC2)c1 ZINC000264623335 464398691 /nfs/dbraw/zinc/39/86/91/464398691.db2.gz IPXSKSHKVTVKLY-UHFFFAOYSA-N 1 2 344.371 2.447 20 5 EEBDLO Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c[nH+]1 ZINC000238024207 464420586 /nfs/dbraw/zinc/42/05/86/464420586.db2.gz APRZSXRFFBTLSR-UHFFFAOYSA-N 1 2 327.344 2.425 20 5 EEBDLO COc1ccc(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000294858116 464627293 /nfs/dbraw/zinc/62/72/93/464627293.db2.gz SSMBMGKIPLOKSI-CYBMUJFWSA-N 1 2 337.376 2.266 20 5 EEBDLO COc1ccc(C[N@H+]2CCC[C@@H](OC(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000294858116 464627298 /nfs/dbraw/zinc/62/72/98/464627298.db2.gz SSMBMGKIPLOKSI-CYBMUJFWSA-N 1 2 337.376 2.266 20 5 EEBDLO Cn1ccnc1[C@@H]([NH2+]CCOCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272548434 464655671 /nfs/dbraw/zinc/65/56/71/464655671.db2.gz QQHCQMIGQXOAND-INIZCTEOSA-N 1 2 330.388 2.434 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000182637049 464699638 /nfs/dbraw/zinc/69/96/38/464699638.db2.gz JZGDVWCKXLKUKA-YOEHRIQHSA-N 1 2 347.415 2.287 20 5 EEBDLO CCn1cnc2c(c1=O)CC[N@@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000285999833 464770720 /nfs/dbraw/zinc/77/07/20/464770720.db2.gz GGWOPFALYUMGKX-GFCCVEGCSA-N 1 2 328.372 2.291 20 5 EEBDLO CCn1cnc2c(c1=O)CC[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2 ZINC000285999833 464770727 /nfs/dbraw/zinc/77/07/27/464770727.db2.gz GGWOPFALYUMGKX-GFCCVEGCSA-N 1 2 328.372 2.291 20 5 EEBDLO CNc1c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cccc1[N+](=O)[O-] ZINC000361181045 465819640 /nfs/dbraw/zinc/81/96/40/465819640.db2.gz WGJMACGBKKPSLY-UHFFFAOYSA-N 1 2 347.400 2.333 20 5 EEBDLO CNc1c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cccc1[N+](=O)[O-] ZINC000361181045 465819646 /nfs/dbraw/zinc/81/96/46/465819646.db2.gz WGJMACGBKKPSLY-UHFFFAOYSA-N 1 2 347.400 2.333 20 5 EEBDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000353582020 465992278 /nfs/dbraw/zinc/99/22/78/465992278.db2.gz OGLIEZICHZKWNN-SECBINFHSA-N 1 2 335.389 2.352 20 5 EEBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083610 466119596 /nfs/dbraw/zinc/11/95/96/466119596.db2.gz HNEGEFIVWMWOIJ-SQRWCISFSA-N 1 2 338.367 2.176 20 5 EEBDLO Cc1nc(C)n(C[C@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000331739289 466227845 /nfs/dbraw/zinc/22/78/45/466227845.db2.gz WMNLMUNGFXUCCE-SJKOYZFVSA-N 1 2 345.403 2.265 20 5 EEBDLO Cc1nc(C)n(C[C@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000331739289 466227849 /nfs/dbraw/zinc/22/78/49/466227849.db2.gz WMNLMUNGFXUCCE-SJKOYZFVSA-N 1 2 345.403 2.265 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347345847 466581879 /nfs/dbraw/zinc/58/18/79/466581879.db2.gz QDQZKENJINOEPY-OLZOCXBDSA-N 1 2 348.428 2.329 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347345847 466581888 /nfs/dbraw/zinc/58/18/88/466581888.db2.gz QDQZKENJINOEPY-OLZOCXBDSA-N 1 2 348.428 2.329 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000373075441 466684892 /nfs/dbraw/zinc/68/48/92/466684892.db2.gz WBGQFMSTWGCVMT-NSHDSACASA-N 1 2 332.335 2.487 20 5 EEBDLO CCOc1cc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000369732600 466748240 /nfs/dbraw/zinc/74/82/40/466748240.db2.gz PMPKJIFSZVOZBN-VERVWZFWSA-N 1 2 326.418 2.194 20 5 EEBDLO CCOc1cc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000369732600 466748244 /nfs/dbraw/zinc/74/82/44/466748244.db2.gz PMPKJIFSZVOZBN-VERVWZFWSA-N 1 2 326.418 2.194 20 5 EEBDLO C[C@@H]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)O1 ZINC000412644329 467106610 /nfs/dbraw/zinc/10/66/10/467106610.db2.gz QTNUOONDDQMEBS-DYEKYZERSA-N 1 2 344.371 2.324 20 5 EEBDLO O=[N+]([O-])c1ccccc1N1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413027400 467157720 /nfs/dbraw/zinc/15/77/20/467157720.db2.gz YSIHGMHQTQXWIE-UHFFFAOYSA-N 1 2 340.387 2.286 20 5 EEBDLO O=[N+]([O-])c1ccccc1N1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413027400 467157724 /nfs/dbraw/zinc/15/77/24/467157724.db2.gz YSIHGMHQTQXWIE-UHFFFAOYSA-N 1 2 340.387 2.286 20 5 EEBDLO COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000450906543 467203110 /nfs/dbraw/zinc/20/31/10/467203110.db2.gz 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EEBDLO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H](O)C(F)(F)F ZINC000614583666 468979843 /nfs/dbraw/zinc/97/98/43/468979843.db2.gz DMJXZQJZKOUIMP-NSHDSACASA-N 1 2 333.266 2.481 20 5 EEBDLO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H](O)C(F)(F)F ZINC000614583666 468979852 /nfs/dbraw/zinc/97/98/52/468979852.db2.gz DMJXZQJZKOUIMP-NSHDSACASA-N 1 2 333.266 2.481 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595937494 469092178 /nfs/dbraw/zinc/09/21/78/469092178.db2.gz VHQVMMVFHUVUMB-CQSZACIVSA-N 1 2 333.388 2.152 20 5 EEBDLO CCNC(=O)C[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000611262384 469212558 /nfs/dbraw/zinc/21/25/58/469212558.db2.gz VWLUWSFMVCBKHP-UHFFFAOYSA-N 1 2 347.371 2.431 20 5 EEBDLO CCNC(=O)C[N@@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000611262384 469212565 /nfs/dbraw/zinc/21/25/65/469212565.db2.gz VWLUWSFMVCBKHP-UHFFFAOYSA-N 1 2 347.371 2.431 20 5 EEBDLO O=C1CC[C@H]2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC[C@@H]2N1 ZINC000596457598 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Cc1cccc([C@H](CNc2ncc([N+](=O)[O-])cn2)[NH+]2CCOCC2)c1 ZINC000273181607 256274253 /nfs/dbraw/zinc/27/42/53/256274253.db2.gz OGWJBCOJBOJCKN-INIZCTEOSA-N 1 2 343.387 2.179 20 5 EEBDLO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000246954917 160302241 /nfs/dbraw/zinc/30/22/41/160302241.db2.gz CEWMGCHOJRQECM-XJKSGUPXSA-N 1 2 343.387 2.313 20 5 EEBDLO C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000246954917 160302242 /nfs/dbraw/zinc/30/22/42/160302242.db2.gz CEWMGCHOJRQECM-XJKSGUPXSA-N 1 2 343.387 2.313 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1C[C@@H]1C(F)F ZINC000343863513 161175413 /nfs/dbraw/zinc/17/54/13/161175413.db2.gz PTJDHYGVHZZXKL-RYUDHWBXSA-N 1 2 327.331 2.493 20 5 EEBDLO O=C1C[N@H+](CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CCN1 ZINC000345309380 161290635 /nfs/dbraw/zinc/29/06/35/161290635.db2.gz VSIZNWPVJYDUBT-UHFFFAOYSA-N 1 2 347.202 2.135 20 5 EEBDLO O=C1C[N@@H+](CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CCN1 ZINC000345309380 161290636 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343.387 2.404 20 5 EEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000408040156 167742452 /nfs/dbraw/zinc/74/24/52/167742452.db2.gz DMBNVJFOSTXSDK-STQMWFEESA-N 1 2 341.433 2.006 20 5 EEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000408040156 167742453 /nfs/dbraw/zinc/74/24/53/167742453.db2.gz DMBNVJFOSTXSDK-STQMWFEESA-N 1 2 341.433 2.006 20 5 EEBDLO COc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000271793083 274153297 /nfs/dbraw/zinc/15/32/97/274153297.db2.gz JHZDXMQPSWSNHG-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO C[C@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272598747 274176819 /nfs/dbraw/zinc/17/68/19/274176819.db2.gz GVLFWOUYLDPPKB-JQWIXIFHSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@H]1CCC[C@@H](CO)[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272598747 274176821 /nfs/dbraw/zinc/17/68/21/274176821.db2.gz GVLFWOUYLDPPKB-JQWIXIFHSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000289886738 275158540 /nfs/dbraw/zinc/15/85/40/275158540.db2.gz RQFFDYARKQAYTA-NSHDSACASA-N 1 2 348.371 2.346 20 5 EEBDLO C[C@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000289886738 275158541 /nfs/dbraw/zinc/15/85/41/275158541.db2.gz RQFFDYARKQAYTA-NSHDSACASA-N 1 2 348.371 2.346 20 5 EEBDLO CC[N@H+](CC(=O)[O-])C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186691026 279060171 /nfs/dbraw/zinc/06/01/71/279060171.db2.gz ORUSWTHOBLTMHB-UHFFFAOYSA-N 1 2 335.404 2.008 20 5 EEBDLO CC[N@@H+](CC(=O)[O-])C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186691026 279060174 /nfs/dbraw/zinc/06/01/74/279060174.db2.gz ORUSWTHOBLTMHB-UHFFFAOYSA-N 1 2 335.404 2.008 20 5 EEBDLO CC[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449910415 281205746 /nfs/dbraw/zinc/20/57/46/281205746.db2.gz GNFBKRHNTBGYBK-ZDUSSCGKSA-N 1 2 330.344 2.032 20 5 EEBDLO CCC(=O)c1ccc(N2CCC[C@@H]2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000281548360 292765421 /nfs/dbraw/zinc/76/54/21/292765421.db2.gz SSOGMQJHFBRDAC-OAHLLOKOSA-N 1 2 347.415 2.489 20 5 EEBDLO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293372430 293192918 /nfs/dbraw/zinc/19/29/18/293192918.db2.gz FUNJWONUMWXSSQ-GFCCVEGCSA-N 1 2 331.294 2.324 20 5 EEBDLO CNC(=O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293372430 293192919 /nfs/dbraw/zinc/19/29/19/293192919.db2.gz FUNJWONUMWXSSQ-GFCCVEGCSA-N 1 2 331.294 2.324 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296060818 293882119 /nfs/dbraw/zinc/88/21/19/293882119.db2.gz ZURKIGBMFVDNNN-OAHLLOKOSA-N 1 2 344.371 2.317 20 5 EEBDLO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000451949141 301693270 /nfs/dbraw/zinc/69/32/70/301693270.db2.gz XAYQICAWSZQTSN-GHMZBOCLSA-N 1 2 336.373 2.084 20 5 EEBDLO COC1([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000412774161 312723352 /nfs/dbraw/zinc/72/33/52/312723352.db2.gz DOAZRJGYCXEBQQ-GFCCVEGCSA-N 1 2 344.371 2.468 20 5 EEBDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000542613851 318133710 /nfs/dbraw/zinc/13/37/10/318133710.db2.gz SMJRPMDHJLCBSF-UWVGGRQHSA-N 1 2 333.348 2.272 20 5 EEBDLO O=C(NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1)C1CC1 ZINC000177009111 464906010 /nfs/dbraw/zinc/90/60/10/464906010.db2.gz AAPHUFAPHJQBLX-UHFFFAOYSA-N 1 2 344.371 2.227 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000298085578 465296822 /nfs/dbraw/zinc/29/68/22/465296822.db2.gz HPCBFMGDXWZUDD-UHFFFAOYSA-N 1 2 329.356 2.454 20 5 EEBDLO CC(C)COCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000337322479 465304838 /nfs/dbraw/zinc/30/48/38/465304838.db2.gz DFYLXKBLIDOJGF-UHFFFAOYSA-N 1 2 341.433 2.087 20 5 EEBDLO C[C@@H](Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000590567744 468274804 /nfs/dbraw/zinc/27/48/04/468274804.db2.gz FERGIVMIPJXULF-SNVBAGLBSA-N 1 2 340.343 2.456 20 5 EEBDLO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])on1 ZINC000047273707 462762431 /nfs/dbraw/zinc/76/24/31/462762431.db2.gz ODUIOGAOMYLJRS-CYBMUJFWSA-N 1 2 330.344 2.327 20 5 EEBDLO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])on1 ZINC000047273707 462762436 /nfs/dbraw/zinc/76/24/36/462762436.db2.gz ODUIOGAOMYLJRS-CYBMUJFWSA-N 1 2 330.344 2.327 20 5 EEBDLO CN(C)c1ncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000092047971 462923693 /nfs/dbraw/zinc/92/36/93/462923693.db2.gz GEDXNQNBOOVXSN-UHFFFAOYSA-N 1 2 347.444 2.440 20 5 EEBDLO C[C@@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000123993833 463384447 /nfs/dbraw/zinc/38/44/47/463384447.db2.gz FNCZIBHZDYWFIJ-IAQYHMDHSA-N 1 2 329.360 2.097 20 5 EEBDLO C[NH+](C)Cc1csc(NC(=O)COc2ccccc2[N+](=O)[O-])n1 ZINC000170484535 463677894 /nfs/dbraw/zinc/67/78/94/463677894.db2.gz FOPHZDQHRYOVRE-UHFFFAOYSA-N 1 2 336.373 2.130 20 5 EEBDLO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000044568070 463683266 /nfs/dbraw/zinc/68/32/66/463683266.db2.gz AFYMNPRCSRKAJQ-HUUCEWRRSA-N 1 2 326.356 2.490 20 5 EEBDLO CC(C)(CO)CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000268505498 463771385 /nfs/dbraw/zinc/77/13/85/463771385.db2.gz UMMWBVXFYBJRPH-UHFFFAOYSA-N 1 2 346.387 2.309 20 5 EEBDLO CCOC(=O)c1ccnc(NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000177861086 463805689 /nfs/dbraw/zinc/80/56/89/463805689.db2.gz NUIXYZPNSUTWBU-UHFFFAOYSA-N 1 2 341.327 2.426 20 5 EEBDLO COCCC1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000269162164 463894658 /nfs/dbraw/zinc/89/46/58/463894658.db2.gz VCUYTTCQRFULDK-UHFFFAOYSA-N 1 2 344.371 2.327 20 5 EEBDLO Cc1cc(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000194733350 463919425 /nfs/dbraw/zinc/91/94/25/463919425.db2.gz XIPXVZBDHYUTAK-OKILXGFUSA-N 1 2 335.404 2.084 20 5 EEBDLO Cc1cc(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000194733350 463919429 /nfs/dbraw/zinc/91/94/29/463919429.db2.gz XIPXVZBDHYUTAK-OKILXGFUSA-N 1 2 335.404 2.084 20 5 EEBDLO COC(=O)c1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cn1C ZINC000356519470 465433091 /nfs/dbraw/zinc/43/30/91/465433091.db2.gz FSQKBAFDHZPBDT-UHFFFAOYSA-N 1 2 345.355 2.115 20 5 EEBDLO COC(=O)c1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cn1C ZINC000356519470 465433098 /nfs/dbraw/zinc/43/30/98/465433098.db2.gz FSQKBAFDHZPBDT-UHFFFAOYSA-N 1 2 345.355 2.115 20 5 EEBDLO Cc1c(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000269504424 464003271 /nfs/dbraw/zinc/00/32/71/464003271.db2.gz VQWIVWUXYHMSDM-AWEZNQCLSA-N 1 2 348.403 2.232 20 5 EEBDLO COc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000272061866 464464365 /nfs/dbraw/zinc/46/43/65/464464365.db2.gz CJRFEMNCXUBKMS-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO Nc1nc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000247663593 464699993 /nfs/dbraw/zinc/69/99/93/464699993.db2.gz UYNKCFWOWTXTOP-UHFFFAOYSA-N 1 2 339.359 2.227 20 5 EEBDLO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc(C(F)(F)F)cs1 ZINC000176287840 464740497 /nfs/dbraw/zinc/74/04/97/464740497.db2.gz ONQRLFIHFQGMKI-UHFFFAOYSA-N 1 2 335.311 2.399 20 5 EEBDLO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc(C(F)(F)F)cs1 ZINC000176287840 464740503 /nfs/dbraw/zinc/74/05/03/464740503.db2.gz ONQRLFIHFQGMKI-UHFFFAOYSA-N 1 2 335.311 2.399 20 5 EEBDLO Cc1nc(Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000295509117 464863111 /nfs/dbraw/zinc/86/31/11/464863111.db2.gz LGYPNVVNXNOVGB-PHIMTYICSA-N 1 2 344.375 2.445 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1nccs1 ZINC000184403266 464972456 /nfs/dbraw/zinc/97/24/56/464972456.db2.gz BHAYRYXKGLSPLJ-VIFPVBQESA-N 1 2 336.373 2.349 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295824320 464977847 /nfs/dbraw/zinc/97/78/47/464977847.db2.gz HXQHKCPJRYZEHJ-HNNXBMFYSA-N 1 2 328.372 2.481 20 5 EEBDLO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccco1 ZINC000184548552 464994752 /nfs/dbraw/zinc/99/47/52/464994752.db2.gz UOUBIBWFNVIHDA-CYBMUJFWSA-N 1 2 349.343 2.112 20 5 EEBDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000184592382 465003179 /nfs/dbraw/zinc/00/31/79/465003179.db2.gz VQDMQGJIURSJSO-RISCZKNCSA-N 1 2 333.344 2.492 20 5 EEBDLO Cc1noc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000348109262 465428095 /nfs/dbraw/zinc/42/80/95/465428095.db2.gz KYTTWZFPYZBSNY-NXEZZACHSA-N 1 2 333.348 2.272 20 5 EEBDLO Cc1c(CNC(=O)N(C)CCCn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000359546807 465446372 /nfs/dbraw/zinc/44/63/72/465446372.db2.gz MGFFDLIMQOXTAN-UHFFFAOYSA-N 1 2 331.376 2.331 20 5 EEBDLO C[C@H](O)CNc1cc(NCc2cc([N+](=O)[O-])ccc2Cl)nc[nH+]1 ZINC000299109963 465606082 /nfs/dbraw/zinc/60/60/82/465606082.db2.gz WXIIDACFRFBLBS-VIFPVBQESA-N 1 2 337.767 2.443 20 5 EEBDLO C[C@H](O)CNc1cc(NCc2cc([N+](=O)[O-])ccc2Cl)[nH+]cn1 ZINC000299109963 465606088 /nfs/dbraw/zinc/60/60/88/465606088.db2.gz WXIIDACFRFBLBS-VIFPVBQESA-N 1 2 337.767 2.443 20 5 EEBDLO Cc1cccc(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000348571541 465691614 /nfs/dbraw/zinc/69/16/14/465691614.db2.gz QASIQIVCAMMQPR-UHFFFAOYSA-N 1 2 340.383 2.319 20 5 EEBDLO Cc1cccc(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1 ZINC000348571541 465691627 /nfs/dbraw/zinc/69/16/27/465691627.db2.gz QASIQIVCAMMQPR-UHFFFAOYSA-N 1 2 340.383 2.319 20 5 EEBDLO C[C@@H](c1nc([C@H]2C[N@H+](C)CCN2C)no1)c1cccc([N+](=O)[O-])c1 ZINC000569170094 468449562 /nfs/dbraw/zinc/44/95/62/468449562.db2.gz MKMUHTWCHBYQCQ-BXUZGUMPSA-N 1 2 331.376 2.048 20 5 EEBDLO C[C@@H](c1nc([C@H]2C[N@@H+](C)CCN2C)no1)c1cccc([N+](=O)[O-])c1 ZINC000569170094 468449566 /nfs/dbraw/zinc/44/95/66/468449566.db2.gz MKMUHTWCHBYQCQ-BXUZGUMPSA-N 1 2 331.376 2.048 20 5 EEBDLO COc1cc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000362590624 465858326 /nfs/dbraw/zinc/85/83/26/465858326.db2.gz JUPZCJPKGDMHCG-JTQLQIEISA-N 1 2 341.383 2.478 20 5 EEBDLO COc1cc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000362590624 465858335 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O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)OCCCn1cc[nH+]c1 ZINC000783267154 1304236004 /nfs/dbraw/zinc/23/60/04/1304236004.db2.gz ZCRRCDLFLILARU-UHFFFAOYSA-N 1 2 328.328 2.380 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000834559218 1314849686 /nfs/dbraw/zinc/84/96/86/1314849686.db2.gz CMOLQDYUJQDHBG-NSHDSACASA-N 1 2 332.335 2.487 20 5 EEBDLO CC[C@H](COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)OC ZINC000835449185 1314920961 /nfs/dbraw/zinc/92/09/61/1314920961.db2.gz ZTESXWWFMBTIKP-LLVKDONJSA-N 1 2 347.327 2.137 20 5 EEBDLO COc1cc(N2CCC([N@@H+]3CCCC(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099102 1318647594 /nfs/dbraw/zinc/64/75/94/1318647594.db2.gz IPUBNSDXIVFIPO-UHFFFAOYSA-N 1 2 333.388 2.237 20 5 EEBDLO COc1cc(N2CCC([N@H+]3CCCC(=O)C3)CC2)ccc1[N+](=O)[O-] ZINC001256099102 1318647601 /nfs/dbraw/zinc/64/76/01/1318647601.db2.gz IPUBNSDXIVFIPO-UHFFFAOYSA-N 1 2 333.388 2.237 20 5 EEBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001159300020 1319725674 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CCOc1cc(NC(=O)NCc2ccc(N)[nH+]c2)ccc1[N+](=O)[O-] ZINC001310945015 1331734493 /nfs/dbraw/zinc/73/44/93/1331734493.db2.gz PGYMFTOIJICZFU-UHFFFAOYSA-N 1 2 331.332 2.292 20 5 EEBDLO O=[N+]([O-])c1cc(-c2nnc(-c3cnccn3)o2)ccc1-n1cc[nH+]c1 ZINC001322456574 1333265784 /nfs/dbraw/zinc/26/57/84/1333265784.db2.gz VUGMORLONUXYMB-UHFFFAOYSA-N 1 2 335.283 2.288 20 5 EEBDLO O=[N+]([O-])c1cnc(N[C@@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC000093433834 1357520621 /nfs/dbraw/zinc/52/06/21/1357520621.db2.gz QVEWWMBJJKGFGM-LLVKDONJSA-N 1 2 327.182 2.258 20 5 EEBDLO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCCCNc1cccc[nH+]1 ZINC001607084815 1351411794 /nfs/dbraw/zinc/41/17/94/1351411794.db2.gz ZUOWOFKMEUKXLZ-UHFFFAOYSA-N 1 2 340.347 2.084 20 5 EEBDLO C[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)C1CC1 ZINC000798659890 1371602302 /nfs/dbraw/zinc/60/23/02/1371602302.db2.gz HVHKKSXBYHOCDE-SNVBAGLBSA-N 1 2 329.312 2.305 20 5 EEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnc(Cl)cn3)C2)nc1 ZINC000799138076 1371632370 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JXBLHOONYYMNNR-NNUKFRKNSA-N 1 2 343.387 2.257 20 5 EEBDLO CC(C)(CCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1)[N+](=O)[O-] ZINC000822743125 787363552 /nfs/dbraw/zinc/36/35/52/787363552.db2.gz JRTXXLTWPZXQGW-UHFFFAOYSA-N 1 2 335.404 2.293 20 5 EEBDLO O=C(NC1C[NH+](Cc2ccc(C3CCCC3)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001030292818 789985044 /nfs/dbraw/zinc/98/50/44/789985044.db2.gz WVFKJKJYCANXOP-QZTJIDSGSA-N 1 2 343.427 2.310 20 5 EEBDLO COc1cc([N+](=O)[O-])c(NCC2([NH+]3CCCC3)COC2)cc1F ZINC001168451373 795098036 /nfs/dbraw/zinc/09/80/36/795098036.db2.gz LOPJJXFYXMEWMI-UHFFFAOYSA-N 1 2 325.340 2.019 20 5 EEBDLO Cc1cn(C(C)(C)C(=O)NCCCNc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC001094864180 796861615 /nfs/dbraw/zinc/86/16/15/796861615.db2.gz JNOLNMINBAVEAH-UHFFFAOYSA-N 1 2 345.403 2.453 20 5 EEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000807924432 812387282 /nfs/dbraw/zinc/38/72/82/812387282.db2.gz IDPJUFVUDHIMLB-SFHVURJKSA-N 1 2 348.447 2.481 20 5 EEBDLO CCc1ncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000414369541 529753965 /nfs/dbraw/zinc/75/39/65/529753965.db2.gz IVDCTZHNPOXZQH-UHFFFAOYSA-N 1 2 327.388 2.269 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1ccncc1 ZINC000447809173 242319781 /nfs/dbraw/zinc/31/97/81/242319781.db2.gz ZYXXLYZGNIAUAN-UHFFFAOYSA-N 1 2 342.399 2.477 20 5 EEBDLO CCC[C@@H](CCO)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450003649 242697109 /nfs/dbraw/zinc/69/71/09/242697109.db2.gz NLVOHVFIFLEPAX-ZDUSSCGKSA-N 1 2 346.387 2.309 20 5 EEBDLO CC1(C)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000451767583 243251301 /nfs/dbraw/zinc/25/13/01/243251301.db2.gz ZVOIZMDIMFUISJ-JOCHJYFZSA-N 1 2 326.418 2.207 20 5 EEBDLO CC1(C)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC[S@]1=O ZINC000451767583 243251309 /nfs/dbraw/zinc/25/13/09/243251309.db2.gz ZVOIZMDIMFUISJ-JOCHJYFZSA-N 1 2 326.418 2.207 20 5 EEBDLO C[C@H]1C[C@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456365359 244230960 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296517319 /nfs/dbraw/zinc/51/73/19/296517319.db2.gz AWKIEFPINPAIES-UHFFFAOYSA-N 1 2 332.335 2.157 20 5 EEBDLO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](c2ccsc2)O1 ZINC000245597037 160244171 /nfs/dbraw/zinc/24/41/71/160244171.db2.gz SIQJLPZHJPIUAA-WFASDCNBSA-N 1 2 349.412 2.280 20 5 EEBDLO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H](c2ccsc2)O1 ZINC000245597037 160244173 /nfs/dbraw/zinc/24/41/73/160244173.db2.gz SIQJLPZHJPIUAA-WFASDCNBSA-N 1 2 349.412 2.280 20 5 EEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000341974477 161028617 /nfs/dbraw/zinc/02/86/17/161028617.db2.gz WWUSZFDCTOAISC-JTQLQIEISA-N 1 2 337.767 2.333 20 5 EEBDLO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1[nH]ncc1[N+](=O)[O-] ZINC000352135070 162080869 /nfs/dbraw/zinc/08/08/69/162080869.db2.gz UGQUSMHAWCXRRZ-UHFFFAOYSA-N 1 2 346.734 2.087 20 5 EEBDLO COCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCO[C@H]1C ZINC000352413169 162127941 /nfs/dbraw/zinc/12/79/41/162127941.db2.gz 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326.324 2.081 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000365196423 466741646 /nfs/dbraw/zinc/74/16/46/466741646.db2.gz HNZZPJITSPGNHG-AWEZNQCLSA-N 1 2 328.372 2.277 20 5 EEBDLO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000365348313 466788868 /nfs/dbraw/zinc/78/88/68/466788868.db2.gz WMKZQBNXZYVHBP-UHFFFAOYSA-N 1 2 329.360 2.103 20 5 EEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000408040465 467499354 /nfs/dbraw/zinc/49/93/54/467499354.db2.gz HHKVHTDMUWDXTP-STQMWFEESA-N 1 2 341.433 2.006 20 5 EEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000408040465 467499359 /nfs/dbraw/zinc/49/93/59/467499359.db2.gz HHKVHTDMUWDXTP-STQMWFEESA-N 1 2 341.433 2.006 20 5 EEBDLO C[C@H]1C[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000454361325 467587933 /nfs/dbraw/zinc/58/79/33/467587933.db2.gz QIMJVLGUPRPCCO-SMDDNHRTSA-N 1 2 329.360 2.339 20 5 EEBDLO COC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448979810 467610302 /nfs/dbraw/zinc/61/03/02/467610302.db2.gz LIZZXUFMYUJEBU-ZDUSSCGKSA-N 1 2 344.371 2.279 20 5 EEBDLO C[C@@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000449961467 467751157 /nfs/dbraw/zinc/75/11/57/467751157.db2.gz VMWLWELLORSTHJ-ZDUSSCGKSA-N 1 2 344.371 2.207 20 5 EEBDLO Cn1c[nH+]c(CCNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000458654574 467874757 /nfs/dbraw/zinc/87/47/57/467874757.db2.gz SJEIIQPJLXFMAY-UHFFFAOYSA-N 1 2 337.767 2.024 20 5 EEBDLO CC[C@@](C)(CCO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450665636 467888813 /nfs/dbraw/zinc/88/88/13/467888813.db2.gz FHEFQSIIZBANTQ-INIZCTEOSA-N 1 2 332.360 2.061 20 5 EEBDLO CCC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000475105351 467991749 /nfs/dbraw/zinc/99/17/49/467991749.db2.gz BUSBFJVDGKEIFO-RISCZKNCSA-N 1 2 337.376 2.243 20 5 EEBDLO CN(CCC[N@H+](C)Cc1c([N+](=O)[O-])ncn1C)C(=O)OC(C)(C)C ZINC000496363262 468194770 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ZINC000596432721 469264604 /nfs/dbraw/zinc/26/46/04/469264604.db2.gz SEDCGBGLANYVPD-NWDGAFQWSA-N 1 2 348.403 2.001 20 5 EEBDLO C[C@@H]1C[N@@H+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)CO1 ZINC000596432721 469264606 /nfs/dbraw/zinc/26/46/06/469264606.db2.gz SEDCGBGLANYVPD-NWDGAFQWSA-N 1 2 348.403 2.001 20 5 EEBDLO C[C@H](CNC(=O)CSc1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000153466514 534076940 /nfs/dbraw/zinc/07/69/40/534076940.db2.gz XXIGBAFUDIKZHA-GFCCVEGCSA-N 1 2 334.401 2.336 20 5 EEBDLO CCC(CC)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000411534442 528714862 /nfs/dbraw/zinc/71/48/62/528714862.db2.gz DIYSBWDHFPWMGC-UHFFFAOYSA-N 1 2 337.376 2.245 20 5 EEBDLO Cc1ccc2[nH+]c(COC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cn2c1 ZINC000726660961 576285569 /nfs/dbraw/zinc/28/55/69/576285569.db2.gz IOAHPJPWUORTQO-UHFFFAOYSA-N 1 2 343.343 2.226 20 5 EEBDLO COC(=O)c1cc(NC(=O)c2cccc3[nH+]ccn32)cc([N+](=O)[O-])c1 ZINC000776937139 577470107 /nfs/dbraw/zinc/47/01/07/577470107.db2.gz 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CC[N@@H+](CCC(=O)NC)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000933861516 676877329 /nfs/dbraw/zinc/87/73/29/676877329.db2.gz STSQSAHYHGCWRZ-UHFFFAOYSA-N 1 2 344.209 2.315 20 5 EEBDLO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC(n3cc[nH+]c3)C2)cc1C ZINC000892899997 683184257 /nfs/dbraw/zinc/18/42/57/683184257.db2.gz ONNJJTYZWZIBCX-UHFFFAOYSA-N 1 2 330.344 2.338 20 5 EEBDLO CSCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029202842 683524036 /nfs/dbraw/zinc/52/40/36/683524036.db2.gz SADSVQUDOANSRM-GASCZTMLSA-N 1 2 335.429 2.133 20 5 EEBDLO CSCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029202842 683524040 /nfs/dbraw/zinc/52/40/40/683524040.db2.gz SADSVQUDOANSRM-GASCZTMLSA-N 1 2 335.429 2.133 20 5 EEBDLO CCn1c[nH+]c2c1CCN(c1ncnc3sc([N+](=O)[O-])cc31)C2 ZINC000896655452 685157515 /nfs/dbraw/zinc/15/75/15/685157515.db2.gz YKESDGISRHFOCR-UHFFFAOYSA-N 1 2 330.373 2.379 20 5 EEBDLO Cc1ncoc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813173439 1201141512 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O=C(CC1CCC1)NCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096276517 1236993013 /nfs/dbraw/zinc/99/30/13/1236993013.db2.gz PQKFWGYUPQOLBB-UHFFFAOYSA-N 1 2 346.431 2.023 20 5 EEBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000856792256 1293633566 /nfs/dbraw/zinc/63/35/66/1293633566.db2.gz MCTMFXPJKXOGPE-MNOVXSKESA-N 1 2 341.795 2.137 20 5 EEBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000856792256 1293633571 /nfs/dbraw/zinc/63/35/71/1293633571.db2.gz MCTMFXPJKXOGPE-MNOVXSKESA-N 1 2 341.795 2.137 20 5 EEBDLO CCOCC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859324432 1294394168 /nfs/dbraw/zinc/39/41/68/1294394168.db2.gz CKSJYUINVPDJEP-UHFFFAOYSA-N 1 2 341.795 2.043 20 5 EEBDLO Cc1ccc(NCCN(C)C(=O)CCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001101889221 1299990660 /nfs/dbraw/zinc/99/06/60/1299990660.db2.gz PEIUYRMPLWAARU-UHFFFAOYSA-N 1 2 331.376 2.060 20 5 EEBDLO CC(C)=C(C)CC(=O)NC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001228670870 1302372073 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331.416 2.470 20 5 EEBDLO O=C1[C@@H]2CC[C@@H]2C(=O)N1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001332125909 1335736807 /nfs/dbraw/zinc/73/68/07/1335736807.db2.gz QQFKKFFWPOIXDB-BMFZPTHFSA-N 1 2 343.383 2.127 20 5 EEBDLO O=C1[C@@H]2CC[C@@H]2C(=O)N1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001332125909 1335736810 /nfs/dbraw/zinc/73/68/10/1335736810.db2.gz QQFKKFFWPOIXDB-BMFZPTHFSA-N 1 2 343.383 2.127 20 5 EEBDLO Cc1cc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC001344875757 1337414010 /nfs/dbraw/zinc/41/40/10/1337414010.db2.gz OOSRDBNJOFNERS-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO Cc1cc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC001344875757 1337414012 /nfs/dbraw/zinc/41/40/12/1337414012.db2.gz OOSRDBNJOFNERS-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO Cc1cc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001344875360 1337414029 /nfs/dbraw/zinc/41/40/29/1337414029.db2.gz KZUZAXHJCGGGIM-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO Cn1c[nH+]cc1CCCOC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001346227074 1337481393 /nfs/dbraw/zinc/48/13/93/1337481393.db2.gz PENKJTQKZKSCRH-UHFFFAOYSA-N 1 2 342.355 2.459 20 5 EEBDLO Cc1cc(NC[C@H]2C[N@H+](C)CCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000108945492 1358559716 /nfs/dbraw/zinc/55/97/16/1358559716.db2.gz MGXTYSDEYUPMDW-HNNXBMFYSA-N 1 2 343.387 2.103 20 5 EEBDLO Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000108945492 1358559720 /nfs/dbraw/zinc/55/97/20/1358559720.db2.gz MGXTYSDEYUPMDW-HNNXBMFYSA-N 1 2 343.387 2.103 20 5 EEBDLO COCCC(=O)N(C)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001752289896 1406266333 /nfs/dbraw/zinc/26/63/33/1406266333.db2.gz DQFHWHBGTNMVMJ-UHFFFAOYSA-N 1 2 341.433 2.116 20 5 EEBDLO CC(C)(C[NH+]1CCOCC1)c1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000923760120 769637206 /nfs/dbraw/zinc/63/72/06/769637206.db2.gz ITMRSHOXVPJMIE-UHFFFAOYSA-N 1 2 346.387 2.178 20 5 EEBDLO Cc1nocc1C(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000981862615 778410480 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CCn1ccc(C[N@@H+](C)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1 ZINC000790447247 808718589 /nfs/dbraw/zinc/71/85/89/808718589.db2.gz PPKNTIYOBJGUIS-UHFFFAOYSA-N 1 2 330.344 2.414 20 5 EEBDLO COc1ccc(C[C@@H](C)[N@@H+]2CC(=O)NC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170355502 809902690 /nfs/dbraw/zinc/90/26/90/809902690.db2.gz HLNZQTRDGLLDDN-CYBMUJFWSA-N 1 2 347.415 2.279 20 5 EEBDLO COc1ccc(C[C@@H](C)[N@H+]2CC(=O)NC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC001170355502 809902696 /nfs/dbraw/zinc/90/26/96/809902696.db2.gz HLNZQTRDGLLDDN-CYBMUJFWSA-N 1 2 347.415 2.279 20 5 EEBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000101865030 219167836 /nfs/dbraw/zinc/16/78/36/219167836.db2.gz IEKHXQQLNRNQRX-UHFFFAOYSA-N 1 2 330.344 2.034 20 5 EEBDLO CC(C)[C@@H](O)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447814322 242320457 /nfs/dbraw/zinc/32/04/57/242320457.db2.gz ZHSQXFOAZKWLCF-KRWDZBQOSA-N 1 2 337.420 2.246 20 5 EEBDLO C[C@@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000447808207 242320641 /nfs/dbraw/zinc/32/06/41/242320641.db2.gz UJMGEZDAFGTDLU-HIFRSBDPSA-N 1 2 335.404 2.406 20 5 EEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000451947445 243320569 /nfs/dbraw/zinc/32/05/69/243320569.db2.gz QFTJDUZBSKICJK-KOLCDFICSA-N 1 2 336.373 2.084 20 5 EEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2Cc3cccc(F)c3C2)c1 ZINC000459729410 245226079 /nfs/dbraw/zinc/22/60/79/245226079.db2.gz JHKVODBBJWGXNA-AWEZNQCLSA-N 1 2 332.331 2.489 20 5 EEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2Cc3cccc(F)c3C2)c1 ZINC000459729410 245226084 /nfs/dbraw/zinc/22/60/84/245226084.db2.gz JHKVODBBJWGXNA-AWEZNQCLSA-N 1 2 332.331 2.489 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000492282439 246381087 /nfs/dbraw/zinc/38/10/87/246381087.db2.gz HIKOXDVYBXKSPR-ZBKLQPJUSA-N 1 2 326.356 2.358 20 5 EEBDLO O=C1NC2(CO1)CCN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000495935896 284873746 /nfs/dbraw/zinc/87/37/46/284873746.db2.gz PFBYBDBZKVJBFP-UHFFFAOYSA-N 1 2 328.328 2.222 20 5 EEBDLO O=[N+]([O-])c1cc(F)cc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)c1 ZINC000356668527 285094407 /nfs/dbraw/zinc/09/44/07/285094407.db2.gz HVQCHOWNJWTQGG-ZDUSSCGKSA-N 1 2 334.307 2.320 20 5 EEBDLO O=[N+]([O-])c1cc(F)cc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)c1 ZINC000356668527 285094408 /nfs/dbraw/zinc/09/44/08/285094408.db2.gz HVQCHOWNJWTQGG-ZDUSSCGKSA-N 1 2 334.307 2.320 20 5 EEBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000352356000 285102383 /nfs/dbraw/zinc/10/23/83/285102383.db2.gz KPEVPDHKOSCQSG-UHFFFAOYSA-N 1 2 338.371 2.188 20 5 EEBDLO CC(C)c1[nH]nc(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)c1[N+](=O)[O-] ZINC000273859764 256333166 /nfs/dbraw/zinc/33/31/66/256333166.db2.gz LZSGJVAUJOOIEF-JTQLQIEISA-N 1 2 348.363 2.027 20 5 EEBDLO CC(C)c1[nH]nc(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)c1[N+](=O)[O-] ZINC000273859764 256333169 /nfs/dbraw/zinc/33/31/69/256333169.db2.gz LZSGJVAUJOOIEF-JTQLQIEISA-N 1 2 348.363 2.027 20 5 EEBDLO CC(C)(C(=O)NCCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1F ZINC000273927561 256339355 /nfs/dbraw/zinc/33/93/55/256339355.db2.gz HGNGOJMWPLCNOQ-UHFFFAOYSA-N 1 2 334.351 2.415 20 5 EEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000249064585 160371957 /nfs/dbraw/zinc/37/19/57/160371957.db2.gz JYVONQORDVJNIE-SLEUVZQESA-N 1 2 349.387 2.053 20 5 EEBDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000249064585 160371958 /nfs/dbraw/zinc/37/19/58/160371958.db2.gz JYVONQORDVJNIE-SLEUVZQESA-N 1 2 349.387 2.053 20 5 EEBDLO CC(C)(C(=O)Nc1cccc(-n2cc[nH+]c2)c1)n1cc([N+](=O)[O-])cn1 ZINC000338661865 160794145 /nfs/dbraw/zinc/79/41/45/160794145.db2.gz JTFCEIFEURXRGV-UHFFFAOYSA-N 1 2 340.343 2.351 20 5 EEBDLO C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000344206947 161207634 /nfs/dbraw/zinc/20/76/34/161207634.db2.gz HPVGRKPBCRWENG-GXTWGEPZSA-N 1 2 341.371 2.120 20 5 EEBDLO CN(CC[C@H]1CCCO1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000344344000 161218536 /nfs/dbraw/zinc/21/85/36/161218536.db2.gz LOFSHWPEFPANPI-CQSZACIVSA-N 1 2 344.371 2.422 20 5 EEBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000355099108 163081101 /nfs/dbraw/zinc/08/11/01/163081101.db2.gz MMWHZHNERHMDGV-GFCCVEGCSA-N 1 2 338.795 2.284 20 5 EEBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000355099108 163081104 /nfs/dbraw/zinc/08/11/04/163081104.db2.gz MMWHZHNERHMDGV-GFCCVEGCSA-N 1 2 338.795 2.284 20 5 EEBDLO COc1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000355207688 163110368 /nfs/dbraw/zinc/11/03/68/163110368.db2.gz XVYMFKDCLMRLFF-UHFFFAOYSA-N 1 2 339.355 2.474 20 5 EEBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000355319191 163143322 /nfs/dbraw/zinc/14/33/22/163143322.db2.gz SENWNLLCEWLZQN-UHFFFAOYSA-N 1 2 328.372 2.013 20 5 EEBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(OC)cc1OC ZINC000355550952 163227522 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C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000021056990 463032436 /nfs/dbraw/zinc/03/24/36/463032436.db2.gz DFGWUIYSLDBFPR-QWRGUYRKSA-N 1 2 341.433 2.274 20 5 EEBDLO Cc1cc(C)c(NC(=O)C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000157603795 463149168 /nfs/dbraw/zinc/14/91/68/463149168.db2.gz RDFZWKOKEUPWPS-UHFFFAOYSA-N 1 2 345.403 2.287 20 5 EEBDLO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000157603795 463149175 /nfs/dbraw/zinc/14/91/75/463149175.db2.gz RDFZWKOKEUPWPS-UHFFFAOYSA-N 1 2 345.403 2.287 20 5 EEBDLO CCOc1ccc(NC(=O)C[NH+]2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000053897221 463196136 /nfs/dbraw/zinc/19/61/36/463196136.db2.gz SFHJASCLBBJVBN-UHFFFAOYSA-N 1 2 337.376 2.043 20 5 EEBDLO O=c1onc(-c2ccc([N+](=O)[O-])cc2)n1Cc1cn2ccccc2[nH+]1 ZINC000069461015 463252523 /nfs/dbraw/zinc/25/25/23/463252523.db2.gz MFYDBAGIANZIGJ-UHFFFAOYSA-N 1 2 337.295 2.108 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(N2CCC[C@@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000160419859 463337774 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EEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]4COC[C@@H]43)n2)c1 ZINC000590972280 468388263 /nfs/dbraw/zinc/38/82/63/468388263.db2.gz CRMSVSFCDOUGGO-OCCSQVGLSA-N 1 2 330.344 2.256 20 5 EEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]4COC[C@@H]43)n2)c1 ZINC000590972280 468388269 /nfs/dbraw/zinc/38/82/69/468388269.db2.gz CRMSVSFCDOUGGO-OCCSQVGLSA-N 1 2 330.344 2.256 20 5 EEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279262276 464082917 /nfs/dbraw/zinc/08/29/17/464082917.db2.gz IFOVWOFIPLCSDZ-HSMVNMDESA-N 1 2 333.388 2.421 20 5 EEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279262276 464082924 /nfs/dbraw/zinc/08/29/24/464082924.db2.gz IFOVWOFIPLCSDZ-HSMVNMDESA-N 1 2 333.388 2.421 20 5 EEBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000263640305 464136265 /nfs/dbraw/zinc/13/62/65/464136265.db2.gz ACTRVBLBBGRKPP-UHFFFAOYSA-N 1 2 329.360 2.175 20 5 EEBDLO COc1cc[nH+]cc1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000292864119 464368056 /nfs/dbraw/zinc/36/80/56/464368056.db2.gz XFVHXPZKQQCWBE-UHFFFAOYSA-N 1 2 343.386 2.076 20 5 EEBDLO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000276188760 464840270 /nfs/dbraw/zinc/84/02/70/464840270.db2.gz HOTMIZFKHPUYNL-GXSJLCMTSA-N 1 2 336.373 2.040 20 5 EEBDLO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000286320879 464879273 /nfs/dbraw/zinc/87/92/73/464879273.db2.gz KVHCLCQMDBRMHP-VIFPVBQESA-N 1 2 329.198 2.283 20 5 EEBDLO CC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000286320879 464879278 /nfs/dbraw/zinc/87/92/78/464879278.db2.gz KVHCLCQMDBRMHP-VIFPVBQESA-N 1 2 329.198 2.283 20 5 EEBDLO O=c1cc(C[N@@H+]2CCO[C@@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000267408966 464929979 /nfs/dbraw/zinc/92/99/79/464929979.db2.gz SOLRNMOMUHUHOP-OAHLLOKOSA-N 1 2 325.364 2.139 20 5 EEBDLO O=c1cc(C[N@H+]2CCO[C@@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000267408966 464929984 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CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccncc1 ZINC000267923431 256097372 /nfs/dbraw/zinc/09/73/72/256097372.db2.gz QVUKEAZFYCOEEL-UHFFFAOYSA-N 1 2 344.371 2.459 20 5 EEBDLO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccncc1 ZINC000270988177 256195512 /nfs/dbraw/zinc/19/55/12/256195512.db2.gz HMTIQALACALYHV-UHFFFAOYSA-N 1 2 340.383 2.401 20 5 EEBDLO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccncc1 ZINC000270988177 256195513 /nfs/dbraw/zinc/19/55/13/256195513.db2.gz HMTIQALACALYHV-UHFFFAOYSA-N 1 2 340.383 2.401 20 5 EEBDLO Cc1cc(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc([N+](=O)[O-])c1 ZINC000276423392 256431238 /nfs/dbraw/zinc/43/12/38/256431238.db2.gz WLSPUORWLOJFQB-CJNGLKHVSA-N 1 2 344.371 2.287 20 5 EEBDLO CN(Cc1[nH+]ccn1C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000120913778 159396815 /nfs/dbraw/zinc/39/68/15/159396815.db2.gz AOIUBEWOCOEIQL-UHFFFAOYSA-N 1 2 325.328 2.149 20 5 EEBDLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000344451968 161228868 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O=[N+]([O-])c1ccc(OCCN2CC[NH+](Cc3cccnc3)CC2)cc1 ZINC000091077653 462831232 /nfs/dbraw/zinc/83/12/32/462831232.db2.gz CCMAINAWTAJAFG-UHFFFAOYSA-N 1 2 342.399 2.186 20 5 EEBDLO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000155523741 462903104 /nfs/dbraw/zinc/90/31/04/462903104.db2.gz LKDADXMMPAODKS-UHFFFAOYSA-N 1 2 337.376 2.197 20 5 EEBDLO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000155523741 462903107 /nfs/dbraw/zinc/90/31/07/462903107.db2.gz LKDADXMMPAODKS-UHFFFAOYSA-N 1 2 337.376 2.197 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124428635 463422400 /nfs/dbraw/zinc/42/24/00/463422400.db2.gz LBCWNKBFBPFUDV-ZUZCIYMTSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@](C)(O)C1 ZINC000124428635 463422405 /nfs/dbraw/zinc/42/24/05/463422405.db2.gz LBCWNKBFBPFUDV-ZUZCIYMTSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124428822 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CC(C)c1n[nH]c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000610922146 469111999 /nfs/dbraw/zinc/11/19/99/469111999.db2.gz XLSUFXACADIDCD-NSHDSACASA-N 1 2 332.364 2.115 20 5 EEBDLO CC(C)c1[nH]nc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000610922146 469112002 /nfs/dbraw/zinc/11/20/02/469112002.db2.gz XLSUFXACADIDCD-NSHDSACASA-N 1 2 332.364 2.115 20 5 EEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610405225 470011746 /nfs/dbraw/zinc/01/17/46/470011746.db2.gz PFOZAUFONYPAQW-OAHLLOKOSA-N 1 2 343.387 2.381 20 5 EEBDLO Cn1cc(-c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)cn1 ZINC000731794761 577125163 /nfs/dbraw/zinc/12/51/63/577125163.db2.gz QNMYOLDEUJGSHT-UHFFFAOYSA-N 1 2 337.299 2.231 20 5 EEBDLO C[C@H]1COCC[N@@H+]1CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000765489886 577501880 /nfs/dbraw/zinc/50/18/80/577501880.db2.gz NXNOPIMYNPYHNE-JTQLQIEISA-N 1 2 344.209 2.490 20 5 EEBDLO C[C@H]1COCC[N@H+]1CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000765489886 577501881 /nfs/dbraw/zinc/50/18/81/577501881.db2.gz NXNOPIMYNPYHNE-JTQLQIEISA-N 1 2 344.209 2.490 20 5 EEBDLO Cc1cc(C(=O)OCc2cc[nH+]c(N(C)C)c2)c(N)c([N+](=O)[O-])c1 ZINC000767533893 577539060 /nfs/dbraw/zinc/53/90/60/577539060.db2.gz SCEWNRIYNBEBIL-UHFFFAOYSA-N 1 2 330.344 2.303 20 5 EEBDLO CCc1ccc(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000767555036 577539543 /nfs/dbraw/zinc/53/95/43/577539543.db2.gz IVVHSPDEHOQTLW-GASCZTMLSA-N 1 2 334.372 2.177 20 5 EEBDLO CCc1ccc(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1[N+](=O)[O-] ZINC000767555036 577539544 /nfs/dbraw/zinc/53/95/44/577539544.db2.gz IVVHSPDEHOQTLW-GASCZTMLSA-N 1 2 334.372 2.177 20 5 EEBDLO O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000763262173 577718109 /nfs/dbraw/zinc/71/81/09/577718109.db2.gz WQEWUJDZCQBVNF-UHFFFAOYSA-N 1 2 331.719 2.039 20 5 EEBDLO C[C@@H](CC(C)(C)O)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835419260 684037383 /nfs/dbraw/zinc/03/73/83/684037383.db2.gz UYCOXADVTZWWAA-NSHDSACASA-N 1 2 333.344 2.487 20 5 EEBDLO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000843804997 1188593030 /nfs/dbraw/zinc/59/30/30/1188593030.db2.gz MKGLQYXPOYBLBL-JTQLQIEISA-N 1 2 347.331 2.074 20 5 EEBDLO CC[C@H](COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)OC ZINC000810947155 1199829957 /nfs/dbraw/zinc/82/99/57/1199829957.db2.gz DAZYSMNVXUHGCN-LLVKDONJSA-N 1 2 347.327 2.137 20 5 EEBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000880241206 1201432257 /nfs/dbraw/zinc/43/22/57/1201432257.db2.gz GSPJOYZWZAOUAG-JTQLQIEISA-N 1 2 325.340 2.364 20 5 EEBDLO Cc1cnc(OC2CC[NH+](Cc3cccnc3[N+](=O)[O-])CC2)nc1 ZINC000886271088 1202486785 /nfs/dbraw/zinc/48/67/85/1202486785.db2.gz XBMDVUIUQQPFNC-UHFFFAOYSA-N 1 2 329.360 2.132 20 5 EEBDLO CN(CCCNC(=O)CCc1[nH]cc[nH+]1)c1ccc(F)cc1[N+](=O)[O-] ZINC001095532446 1205860654 /nfs/dbraw/zinc/86/06/54/1205860654.db2.gz YZXLVPWQDODIOE-UHFFFAOYSA-N 1 2 349.366 2.032 20 5 EEBDLO CCCC[C@H]1NC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800865833 1234696782 /nfs/dbraw/zinc/69/67/82/1234696782.db2.gz KXQHPKKBWTXOJR-OAHLLOKOSA-N 1 2 348.403 2.137 20 5 EEBDLO CCCC[C@H]1NC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800865833 1234696783 /nfs/dbraw/zinc/69/67/83/1234696783.db2.gz KXQHPKKBWTXOJR-OAHLLOKOSA-N 1 2 348.403 2.137 20 5 EEBDLO CC[C@@]1(C)CC(=O)N(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800866004 1234700516 /nfs/dbraw/zinc/70/05/16/1234700516.db2.gz OSAQAAQFGMCEEZ-KRWDZBQOSA-N 1 2 333.388 2.202 20 5 EEBDLO CC[C@@]1(C)CC(=O)N(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000800866004 1234700522 /nfs/dbraw/zinc/70/05/22/1234700522.db2.gz OSAQAAQFGMCEEZ-KRWDZBQOSA-N 1 2 333.388 2.202 20 5 EEBDLO CCC(CC)C(=O)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096269796 1236942882 /nfs/dbraw/zinc/94/28/82/1236942882.db2.gz OQLIAJQVNGWVEM-UHFFFAOYSA-N 1 2 348.447 2.269 20 5 EEBDLO CC1(C(=O)NCC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001096295974 1237177979 /nfs/dbraw/zinc/17/79/79/1237177979.db2.gz GHQKASWENSNXTH-UHFFFAOYSA-N 1 2 346.431 2.023 20 5 EEBDLO C[N@@H+]1CCO[C@@H](COc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000703799107 1277372575 /nfs/dbraw/zinc/37/25/75/1277372575.db2.gz NXCMTZYBBDJEIW-SNVBAGLBSA-N 1 2 331.166 2.067 20 5 EEBDLO C[N@H+]1CCO[C@@H](COc2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000703799107 1277372588 /nfs/dbraw/zinc/37/25/88/1277372588.db2.gz NXCMTZYBBDJEIW-SNVBAGLBSA-N 1 2 331.166 2.067 20 5 EEBDLO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794637206 1296500752 /nfs/dbraw/zinc/50/07/52/1296500752.db2.gz QNVXUEBVSJTCHR-RYUDHWBXSA-N 1 2 332.360 2.489 20 5 EEBDLO CC[C@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794637206 1296500767 /nfs/dbraw/zinc/50/07/67/1296500767.db2.gz QNVXUEBVSJTCHR-RYUDHWBXSA-N 1 2 332.360 2.489 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCC[NH2+]C4)c3nc2cc1C ZINC001217962530 1297537552 /nfs/dbraw/zinc/53/75/52/1297537552.db2.gz 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O=C(C[N@H+]1CC[C@@H](c2ccccn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000799195112 1305183450 /nfs/dbraw/zinc/18/34/50/1305183450.db2.gz VVZMHUFETIFKCH-CYBMUJFWSA-N 1 2 326.356 2.418 20 5 EEBDLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc(C)c2cc([N+](=O)[O-])ccc2n1 ZINC001159293691 1319723167 /nfs/dbraw/zinc/72/31/67/1319723167.db2.gz NGYDZCRCNHBKDN-UHFFFAOYSA-N 1 2 327.344 2.152 20 5 EEBDLO Cn1c[nH+]c(CCNC(=O)c2ccnc3c2ccc2cccnc23)c1 ZINC001155816392 1317746006 /nfs/dbraw/zinc/74/60/06/1317746006.db2.gz XOYXOQJGEHTYJH-UHFFFAOYSA-N 1 2 331.379 2.489 20 5 EEBDLO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NCc2c[nH+]cn2CC2CCC2)c1 ZINC001161533154 1320528703 /nfs/dbraw/zinc/52/87/03/1320528703.db2.gz JFRUHSCFWURNRO-UHFFFAOYSA-N 1 2 337.767 2.490 20 5 EEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnn(C4CCC4)c3)CC2)cn1 ZINC001334123791 1336208542 /nfs/dbraw/zinc/20/85/42/1336208542.db2.gz OTAXKNKGUONOEG-UHFFFAOYSA-N 1 2 342.403 2.234 20 5 EEBDLO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001342931050 1337324011 /nfs/dbraw/zinc/32/40/11/1337324011.db2.gz IGVGGKAHCFRZDT-UHFFFAOYSA-N 1 2 335.795 2.304 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC001580822411 1344563445 /nfs/dbraw/zinc/56/34/45/1344563445.db2.gz RYVDZPFNGIGNKQ-CYBMUJFWSA-N 1 2 333.388 2.152 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nc(-c2nn[nH]n2)cs1 ZINC001592197355 1349603158 /nfs/dbraw/zinc/60/31/58/1349603158.db2.gz JDVGKDVHNAZWJJ-SECBINFHSA-N 1 2 345.388 2.391 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nc(-c2nn[nH]n2)cs1 ZINC001592197357 1349603958 /nfs/dbraw/zinc/60/39/58/1349603958.db2.gz JDVGKDVHNAZWJJ-VIFPVBQESA-N 1 2 345.388 2.391 20 5 EEBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000852438452 1369272354 /nfs/dbraw/zinc/27/23/54/1369272354.db2.gz QVWYHXKFWCNVIQ-GFCCVEGCSA-N 1 2 325.752 2.275 20 5 EEBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000852438452 1369272357 /nfs/dbraw/zinc/27/23/57/1369272357.db2.gz QVWYHXKFWCNVIQ-GFCCVEGCSA-N 1 2 325.752 2.275 20 5 EEBDLO O=C(Cc1c[nH]c[nH+]1)NCC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC001111910744 1371302467 /nfs/dbraw/zinc/30/24/67/1371302467.db2.gz DKWQLVLFOZNXRD-UHFFFAOYSA-N 1 2 329.360 2.011 20 5 EEBDLO CN(CCCNc1ccc(F)cc1[N+](=O)[O-])C(=O)CCc1c[nH]c[nH+]1 ZINC001109652818 805830375 /nfs/dbraw/zinc/83/03/75/805830375.db2.gz DBMIOIWJSHXVCS-UHFFFAOYSA-N 1 2 349.366 2.350 20 5 EEBDLO CN(CCCNc1ccc(F)cc1[N+](=O)[O-])C(=O)CCc1c[nH+]c[nH]1 ZINC001109652818 805830383 /nfs/dbraw/zinc/83/03/83/805830383.db2.gz DBMIOIWJSHXVCS-UHFFFAOYSA-N 1 2 349.366 2.350 20 5 EEBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825394229 788610765 /nfs/dbraw/zinc/61/07/65/788610765.db2.gz VSSFJNSTOQJAIY-GJZGRUSLSA-N 1 2 346.387 2.056 20 5 EEBDLO C[C@H](CC(=O)OCCN(C)c1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000845454753 789784252 /nfs/dbraw/zinc/78/42/52/789784252.db2.gz JCMJGLWJTXUIFQ-CYBMUJFWSA-N 1 2 332.360 2.422 20 5 EEBDLO Cc1cc(NC2(CNC(=O)CCc3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC001110124714 793358495 /nfs/dbraw/zinc/35/84/95/793358495.db2.gz XWLUMFQNCXYIMX-UHFFFAOYSA-N 1 2 343.387 2.320 20 5 EEBDLO Cc1cn(C(C)(C)C(=O)NCCNc2cccc(F)c2[N+](=O)[O-])c[nH+]1 ZINC001094223177 796005692 /nfs/dbraw/zinc/00/56/92/796005692.db2.gz HPPXQMUQOMBAJU-UHFFFAOYSA-N 1 2 349.366 2.202 20 5 EEBDLO O=C(NCCNc1cccc(F)c1[N+](=O)[O-])c1cc2c[nH+]ccc2[nH]1 ZINC001094236377 796029021 /nfs/dbraw/zinc/02/90/21/796029021.db2.gz SPVHECAWNCNEMI-UHFFFAOYSA-N 1 2 343.318 2.452 20 5 EEBDLO CC[N@H+](CC(=O)OC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194592 797283670 /nfs/dbraw/zinc/28/36/70/797283670.db2.gz VZKMZDAVJLULRW-JTQLQIEISA-N 1 2 328.340 2.168 20 5 EEBDLO CC[N@@H+](CC(=O)OC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173194592 797283675 /nfs/dbraw/zinc/28/36/75/797283675.db2.gz VZKMZDAVJLULRW-JTQLQIEISA-N 1 2 328.340 2.168 20 5 EEBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1Oc2ccc(CCO)cc2O1 ZINC001173218413 797299214 /nfs/dbraw/zinc/29/92/14/797299214.db2.gz ASUXYZBYNIBUIP-KPZWWZAWSA-N 1 2 344.367 2.405 20 5 EEBDLO CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173229239 797311168 /nfs/dbraw/zinc/31/11/68/797311168.db2.gz RUQHWABDGSPVGD-WBMJQRKESA-N 1 2 346.387 2.028 20 5 EEBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)c1cocn1 ZINC001002440212 798089782 /nfs/dbraw/zinc/08/97/82/798089782.db2.gz DOSOUFGQTMZEKL-UHFFFAOYSA-N 1 2 336.373 2.039 20 5 EEBDLO O=C(c1cccc2[nH+]ccn21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787503192 807130744 /nfs/dbraw/zinc/13/07/44/807130744.db2.gz RKCDJWHAQGOCTB-UHFFFAOYSA-N 1 2 338.323 2.146 20 5 EEBDLO COc1ccc(C(=O)NCc2cn3c(cccc3C)[nH+]2)cc1[N+](=O)[O-] ZINC000068571168 215319427 /nfs/dbraw/zinc/31/94/27/215319427.db2.gz CGWSNOZGTRFEPD-UHFFFAOYSA-N 1 2 340.339 2.490 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CC[C@H](CCCO)C1 ZINC000450968612 242961231 /nfs/dbraw/zinc/96/12/31/242961231.db2.gz YNLAHVXUZOSARY-HNNXBMFYSA-N 1 2 349.431 2.026 20 5 EEBDLO COC(=O)CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000078728109 217109975 /nfs/dbraw/zinc/10/99/75/217109975.db2.gz VFRBCRLXEVPDTH-GFCCVEGCSA-N 1 2 340.351 2.278 20 5 EEBDLO COC(=O)CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000078728109 217109980 /nfs/dbraw/zinc/10/99/80/217109980.db2.gz VFRBCRLXEVPDTH-GFCCVEGCSA-N 1 2 340.351 2.278 20 5 EEBDLO Cc1nc2n(n1)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C2 ZINC000267399794 256055818 /nfs/dbraw/zinc/05/58/18/256055818.db2.gz QMPFOMQRIXVGJI-UHFFFAOYSA-N 1 2 331.376 2.298 20 5 EEBDLO Cc1nc2n(n1)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C2 ZINC000267399794 256055819 /nfs/dbraw/zinc/05/58/19/256055819.db2.gz QMPFOMQRIXVGJI-UHFFFAOYSA-N 1 2 331.376 2.298 20 5 EEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000249064596 160372313 /nfs/dbraw/zinc/37/23/13/160372313.db2.gz JYVONQORDVJNIE-YWPYICTPSA-N 1 2 349.387 2.053 20 5 EEBDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000249064596 160372315 /nfs/dbraw/zinc/37/23/15/160372315.db2.gz JYVONQORDVJNIE-YWPYICTPSA-N 1 2 349.387 2.053 20 5 EEBDLO Cn1cc[nH+]c1[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000341690230 161005544 /nfs/dbraw/zinc/00/55/44/161005544.db2.gz NFZQUZYWRXVSFA-MRXNPFEDSA-N 1 2 344.371 2.365 20 5 EEBDLO O=[N+]([O-])c1cccc(F)c1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000341843683 161018002 /nfs/dbraw/zinc/01/80/02/161018002.db2.gz SLIOTFKRNUOVGZ-HNNXBMFYSA-N 1 2 341.408 2.354 20 5 EEBDLO CCc1c[nH+]ccc1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000343769545 161166670 /nfs/dbraw/zinc/16/66/70/161166670.db2.gz OTWZBSWDOWXCCA-UHFFFAOYSA-N 1 2 337.339 2.412 20 5 EEBDLO C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000344206950 161207706 /nfs/dbraw/zinc/20/77/06/161207706.db2.gz HPVGRKPBCRWENG-OCCSQVGLSA-N 1 2 341.371 2.120 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000345412760 161299684 /nfs/dbraw/zinc/29/96/84/161299684.db2.gz VFHLUMUCOBGBIS-NSHDSACASA-N 1 2 341.795 2.041 20 5 EEBDLO CCCNC(=O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000354894128 163005762 /nfs/dbraw/zinc/00/57/62/163005762.db2.gz ZXPPSGSWHUEZIY-UHFFFAOYSA-N 1 2 345.403 2.209 20 5 EEBDLO CCC[C@H]([NH2+]Cc1nnc2n1CCOC2)c1cccc([N+](=O)[O-])c1 ZINC000365160569 165396608 /nfs/dbraw/zinc/39/66/08/165396608.db2.gz XZWRZZKNYFVAPK-AWEZNQCLSA-N 1 2 331.376 2.348 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368976030 166163866 /nfs/dbraw/zinc/16/38/66/166163866.db2.gz SVMBCNABGQHDLF-HZUKXOBISA-N 1 2 333.388 2.079 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368976030 166163868 /nfs/dbraw/zinc/16/38/68/166163868.db2.gz SVMBCNABGQHDLF-HZUKXOBISA-N 1 2 333.388 2.079 20 5 EEBDLO C[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000123011806 222199183 /nfs/dbraw/zinc/19/91/83/222199183.db2.gz SRCZNJQPXODVER-BBRMVZONSA-N 1 2 343.387 2.313 20 5 EEBDLO C[C@@H]1C[NH+]=C(N2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)S1 ZINC000275354523 269109794 /nfs/dbraw/zinc/10/97/94/269109794.db2.gz KKWRWPKLKDZDEH-LLVKDONJSA-N 1 2 347.444 2.176 20 5 EEBDLO C[C@@H]([NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)c1ncn(C)n1 ZINC000275537688 274257504 /nfs/dbraw/zinc/25/75/04/274257504.db2.gz LHYKSGSUVICTFW-LLVKDONJSA-N 1 2 342.359 2.272 20 5 EEBDLO Cn1cc([C@H](CO)[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000289588969 275130367 /nfs/dbraw/zinc/13/03/67/275130367.db2.gz RYOCXNIFTUZTHS-LBPRGKRZSA-N 1 2 345.186 2.458 20 5 EEBDLO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CCn2c[nH+]cc2C1 ZINC000291003895 275259993 /nfs/dbraw/zinc/25/99/93/275259993.db2.gz YZWKOTJOGXSVOL-UHFFFAOYSA-N 1 2 338.270 2.049 20 5 EEBDLO COC1(CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCC1 ZINC000293907315 293323885 /nfs/dbraw/zinc/32/38/85/293323885.db2.gz MUUQRNHBABKLJH-UHFFFAOYSA-N 1 2 344.371 2.470 20 5 EEBDLO Cc1occc1C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000414460872 313026097 /nfs/dbraw/zinc/02/60/97/313026097.db2.gz RBJCVINOZREFOQ-UHFFFAOYSA-N 1 2 329.356 2.454 20 5 EEBDLO C[C@H](NC(=O)NC[C@H]1CC[NH2+]CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000418238688 313760807 /nfs/dbraw/zinc/76/08/07/313760807.db2.gz XXOWPXXSULAPPN-CMPLNLGQSA-N 1 2 342.346 2.200 20 5 EEBDLO COC(=O)CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444602037 315310189 /nfs/dbraw/zinc/31/01/89/315310189.db2.gz YJGOKOHFMSNMFS-UHFFFAOYSA-N 1 2 332.360 2.246 20 5 EEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)Nc2c[nH+]ccc2N2CCCC2)c1 ZINC000580773393 324125872 /nfs/dbraw/zinc/12/58/72/324125872.db2.gz ATBSDXQPQJHAAC-UHFFFAOYSA-N 1 2 348.384 2.391 20 5 EEBDLO CC[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1[nH]cc[nH+]1 ZINC000328246012 465057861 /nfs/dbraw/zinc/05/78/61/465057861.db2.gz ATQSSAPVTPYUBT-LLVKDONJSA-N 1 2 340.343 2.385 20 5 EEBDLO O=[N+]([O-])c1ccc2nc(N3CCN(Cc4[nH]cc[nH+]4)CC3)ccc2c1 ZINC000354657026 465077480 /nfs/dbraw/zinc/07/74/80/465077480.db2.gz IPZSQYIOLJCJFJ-UHFFFAOYSA-N 1 2 338.371 2.188 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000351817982 465380505 /nfs/dbraw/zinc/38/05/05/465380505.db2.gz CZKVMQSYQCPYLP-AWEZNQCLSA-N 1 2 349.431 2.052 20 5 EEBDLO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(CC(F)(F)F)CC2)cc1 ZINC000065209216 462743384 /nfs/dbraw/zinc/74/33/84/462743384.db2.gz DDMMZMAIIOCIGO-UHFFFAOYSA-N 1 2 333.310 2.154 20 5 EEBDLO C[N@H+](CCNS(=O)(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000048275728 462885165 /nfs/dbraw/zinc/88/51/65/462885165.db2.gz UEWDQIKXWRDWKW-UHFFFAOYSA-N 1 2 349.412 2.005 20 5 EEBDLO C[N@@H+](CCNS(=O)(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000048275728 462885173 /nfs/dbraw/zinc/88/51/73/462885173.db2.gz UEWDQIKXWRDWKW-UHFFFAOYSA-N 1 2 349.412 2.005 20 5 EEBDLO O=[N+]([O-])c1cccnc1N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000015143272 462943470 /nfs/dbraw/zinc/94/34/70/462943470.db2.gz KPLOTGXXIWNNOY-OAHLLOKOSA-N 1 2 328.372 2.475 20 5 EEBDLO Cc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)no1 ZINC000067497959 463011893 /nfs/dbraw/zinc/01/18/93/463011893.db2.gz DVMBIQVEOHMLFG-UHFFFAOYSA-N 1 2 327.300 2.007 20 5 EEBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156488577 463031322 /nfs/dbraw/zinc/03/13/22/463031322.db2.gz CEWMGCHOJRQECM-CJNGLKHVSA-N 1 2 343.387 2.313 20 5 EEBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156488577 463031326 /nfs/dbraw/zinc/03/13/26/463031326.db2.gz CEWMGCHOJRQECM-CJNGLKHVSA-N 1 2 343.387 2.313 20 5 EEBDLO Cc1cc(N)nc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000022089371 463045723 /nfs/dbraw/zinc/04/57/23/463045723.db2.gz BYEPKCZRRJDIPF-SECBINFHSA-N 1 2 333.373 2.395 20 5 EEBDLO COCCCNC(=O)C[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000121445873 463137563 /nfs/dbraw/zinc/13/75/63/463137563.db2.gz LBUOKNYQSNNZER-UHFFFAOYSA-N 1 2 337.420 2.303 20 5 EEBDLO COCCCNC(=O)C[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000121445873 463137567 /nfs/dbraw/zinc/13/75/67/463137567.db2.gz LBUOKNYQSNNZER-UHFFFAOYSA-N 1 2 337.420 2.303 20 5 EEBDLO CNC(=O)c1ccc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000053555832 463172859 /nfs/dbraw/zinc/17/28/59/463172859.db2.gz LNBNBOBPKLHYQX-UHFFFAOYSA-N 1 2 339.355 2.257 20 5 EEBDLO CCc1cc(NC[C@H]2COCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000053575229 463175795 /nfs/dbraw/zinc/17/57/95/463175795.db2.gz BMPYLXGSLSNHEJ-HNNXBMFYSA-N 1 2 344.371 2.442 20 5 EEBDLO COc1cc(C[NH+]2CCC(O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000027355156 463188232 /nfs/dbraw/zinc/18/82/32/463188232.db2.gz KJTMKQMSPBCKRA-UHFFFAOYSA-N 1 2 332.303 2.162 20 5 EEBDLO Cc1cnc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000080950903 463372222 /nfs/dbraw/zinc/37/22/22/463372222.db2.gz IENXLOIOMIOYHN-UHFFFAOYSA-N 1 2 327.300 2.007 20 5 EEBDLO CC(=O)c1ccc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c([N+](=O)[O-])c1 ZINC000071922396 463475989 /nfs/dbraw/zinc/47/59/89/463475989.db2.gz NTFBQWZNKLMUDV-NSHDSACASA-N 1 2 348.428 2.411 20 5 EEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000162834058 463542373 /nfs/dbraw/zinc/54/23/73/463542373.db2.gz ZMVXVHMBZDAJQF-UHFFFAOYSA-N 1 2 326.316 2.129 20 5 EEBDLO Cc1cc(NC[C@@H]2C[N@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108945447 463630500 /nfs/dbraw/zinc/63/05/00/463630500.db2.gz IKRMZFVIGHAEAR-OAHLLOKOSA-N 1 2 343.387 2.103 20 5 EEBDLO Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108945447 463630504 /nfs/dbraw/zinc/63/05/04/463630504.db2.gz IKRMZFVIGHAEAR-OAHLLOKOSA-N 1 2 343.387 2.103 20 5 EEBDLO O=C(Nc1cc[nH+]cc1O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109890663 463652539 /nfs/dbraw/zinc/65/25/39/463652539.db2.gz ZAHKXIDQSZPPBU-UHFFFAOYSA-N 1 2 325.284 2.133 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000590903487 468369495 /nfs/dbraw/zinc/36/94/95/468369495.db2.gz CKROZLOWRVRHAO-UHFFFAOYSA-N 1 2 344.371 2.018 20 5 EEBDLO Cc1nc(NCc2ccc[nH+]c2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000268484639 463761201 /nfs/dbraw/zinc/76/12/01/463761201.db2.gz MCSZTZFEJWYDCA-UHFFFAOYSA-N 1 2 329.360 2.142 20 5 EEBDLO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186313400 463973496 /nfs/dbraw/zinc/97/34/96/463973496.db2.gz RVZRFDRHAKBHQA-NSHDSACASA-N 1 2 332.360 2.356 20 5 EEBDLO Cn1ncc(Cl)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000187341283 464119807 /nfs/dbraw/zinc/11/98/07/464119807.db2.gz DSJTURWAIBCLPK-SNVBAGLBSA-N 1 2 336.783 2.063 20 5 EEBDLO Cn1ncc(Cl)c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000187341283 464119809 /nfs/dbraw/zinc/11/98/09/464119809.db2.gz DSJTURWAIBCLPK-SNVBAGLBSA-N 1 2 336.783 2.063 20 5 EEBDLO C[C@H]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000271553079 464330172 /nfs/dbraw/zinc/33/01/72/464330172.db2.gz PIANJVMABFKUKZ-STQMWFEESA-N 1 2 344.371 2.325 20 5 EEBDLO CN1CC[N@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000264817285 464477166 /nfs/dbraw/zinc/47/71/66/464477166.db2.gz XJZUAEKYNUFAJQ-NSHDSACASA-N 1 2 332.326 2.271 20 5 EEBDLO CN1CC[N@@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000264817285 464477167 /nfs/dbraw/zinc/47/71/67/464477167.db2.gz XJZUAEKYNUFAJQ-NSHDSACASA-N 1 2 332.326 2.271 20 5 EEBDLO CC[C@@](C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(=O)OC ZINC000265409257 464548185 /nfs/dbraw/zinc/54/81/85/464548185.db2.gz DKQUZVOJLXGLPL-MRXNPFEDSA-N 1 2 337.376 2.163 20 5 EEBDLO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2nnc(C3CC3)[nH]2)c1 ZINC000294864835 464630396 /nfs/dbraw/zinc/63/03/96/464630396.db2.gz UBZAGRJYSQLPHC-UHFFFAOYSA-N 1 2 339.302 2.482 20 5 EEBDLO O=[N+]([O-])c1ccccc1CN(c1nc[nH+]c2c1OCCN2)C1CC1 ZINC000591151024 468416884 /nfs/dbraw/zinc/41/68/84/468416884.db2.gz SSGJEUONCLKQLU-UHFFFAOYSA-N 1 2 327.344 2.358 20 5 EEBDLO O=[N+]([O-])c1ccccc1CN(c1[nH+]cnc2c1OCCN2)C1CC1 ZINC000591151024 468416892 /nfs/dbraw/zinc/41/68/92/468416892.db2.gz SSGJEUONCLKQLU-UHFFFAOYSA-N 1 2 327.344 2.358 20 5 EEBDLO CCOC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267000396 464900711 /nfs/dbraw/zinc/90/07/11/464900711.db2.gz CRSKYRICQFLIHV-UHFFFAOYSA-N 1 2 325.340 2.398 20 5 EEBDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267000396 464900717 /nfs/dbraw/zinc/90/07/17/464900717.db2.gz CRSKYRICQFLIHV-UHFFFAOYSA-N 1 2 325.340 2.398 20 5 EEBDLO COc1c(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)cccc1[N+](=O)[O-] ZINC000356496540 465418112 /nfs/dbraw/zinc/41/81/12/465418112.db2.gz JQFHXKWGLSJMHW-GFCCVEGCSA-N 1 2 344.371 2.416 20 5 EEBDLO Cc1cc(N[C@H]2C=C[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339686247 465442217 /nfs/dbraw/zinc/44/22/17/465442217.db2.gz ABAMYNAGWFMTKC-JSGCOSHPSA-N 1 2 326.356 2.131 20 5 EEBDLO CN(CC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000301356311 465949173 /nfs/dbraw/zinc/94/91/73/465949173.db2.gz YJUJZZVUIYNUOP-UHFFFAOYSA-N 1 2 333.310 2.382 20 5 EEBDLO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H](O)C(F)(F)F ZINC000594017629 468463046 /nfs/dbraw/zinc/46/30/46/468463046.db2.gz IUOPFQOBWKHBAX-ZDUSSCGKSA-N 1 2 336.310 2.275 20 5 EEBDLO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C[C@H](O)C(F)(F)F ZINC000594017629 468463048 /nfs/dbraw/zinc/46/30/48/468463048.db2.gz IUOPFQOBWKHBAX-ZDUSSCGKSA-N 1 2 336.310 2.275 20 5 EEBDLO Cc1cnc(OC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)nc1 ZINC000594020958 468464323 /nfs/dbraw/zinc/46/43/23/468464323.db2.gz MKVIWFGMLUHFOQ-UHFFFAOYSA-N 1 2 344.371 2.442 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]cc(Cc3noc(CCn4cc[nH+]c4)n3)c2c1 ZINC000357367044 465981936 /nfs/dbraw/zinc/98/19/36/465981936.db2.gz GDEQILMBOUTYCU-UHFFFAOYSA-N 1 2 338.327 2.489 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCc1ccccn1 ZINC000349548431 466139914 /nfs/dbraw/zinc/13/99/14/466139914.db2.gz USDGGNLNOVAERE-UHFFFAOYSA-N 1 2 342.399 2.477 20 5 EEBDLO COC(=O)c1cnc(NCCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000302762538 466179957 /nfs/dbraw/zinc/17/99/57/466179957.db2.gz KPQSUXLBXDEINM-UHFFFAOYSA-N 1 2 341.327 2.079 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC1CCC(O)CC1 ZINC000357847777 466262129 /nfs/dbraw/zinc/26/21/29/466262129.db2.gz WPRRBVGZWHDTET-UHFFFAOYSA-N 1 2 335.404 2.142 20 5 EEBDLO Cc1nc(C)n(C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)n1 ZINC000350003496 466346871 /nfs/dbraw/zinc/34/68/71/466346871.db2.gz AZWOEVCCWSMGII-KRWDZBQOSA-N 1 2 345.403 2.013 20 5 EEBDLO Cc1nc(C)n(C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)CCO2)n1 ZINC000350003496 466346884 /nfs/dbraw/zinc/34/68/84/466346884.db2.gz AZWOEVCCWSMGII-KRWDZBQOSA-N 1 2 345.403 2.013 20 5 EEBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000305758926 466452077 /nfs/dbraw/zinc/45/20/77/466452077.db2.gz CNZFRFWZTHAGKC-JOYOIKCWSA-N 1 2 349.309 2.085 20 5 EEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000305758926 466452084 /nfs/dbraw/zinc/45/20/84/466452084.db2.gz CNZFRFWZTHAGKC-JOYOIKCWSA-N 1 2 349.309 2.085 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000374783200 466742319 /nfs/dbraw/zinc/74/23/19/466742319.db2.gz WGCGTDHBUIVIPA-SNVBAGLBSA-N 1 2 330.344 2.004 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000374783200 466742324 /nfs/dbraw/zinc/74/23/24/466742324.db2.gz WGCGTDHBUIVIPA-SNVBAGLBSA-N 1 2 330.344 2.004 20 5 EEBDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccccc3[N+](=O)[O-])[nH+]cn2)C1 ZINC000413060584 467162955 /nfs/dbraw/zinc/16/29/55/467162955.db2.gz LCKOTIOMIBKTSH-TZMCWYRMSA-N 1 2 343.387 2.204 20 5 EEBDLO C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccccc3[N+](=O)[O-])nc[nH+]2)C1 ZINC000413060584 467162956 /nfs/dbraw/zinc/16/29/56/467162956.db2.gz LCKOTIOMIBKTSH-TZMCWYRMSA-N 1 2 343.387 2.204 20 5 EEBDLO CS(=O)(=O)CC1(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413165599 467182235 /nfs/dbraw/zinc/18/22/35/467182235.db2.gz FBBRPTNHBKEUIK-UHFFFAOYSA-N 1 2 335.385 2.380 20 5 EEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428352907 467224862 /nfs/dbraw/zinc/22/48/62/467224862.db2.gz RKAMHAQWPFFCBQ-NSHDSACASA-N 1 2 332.385 2.015 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C1 ZINC000378264749 467246886 /nfs/dbraw/zinc/24/68/86/467246886.db2.gz DJYVZXNKPFYQAS-VIFPVBQESA-N 1 2 336.298 2.236 20 5 EEBDLO Cc1cc(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000420694303 467455039 /nfs/dbraw/zinc/45/50/39/467455039.db2.gz BFNZVTVBQNHQTJ-UHFFFAOYSA-N 1 2 349.412 2.269 20 5 EEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000449653975 467678537 /nfs/dbraw/zinc/67/85/37/467678537.db2.gz ULNWIAXTWIEQSH-VIFPVBQESA-N 1 2 345.371 2.291 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CC[C@@H](CCCO)C1 ZINC000457151393 467766988 /nfs/dbraw/zinc/76/69/88/467766988.db2.gz WAACQXKWKKRMQB-CYBMUJFWSA-N 1 2 344.371 2.015 20 5 EEBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCCn1cc[nH+]c1 ZINC000450208311 467799409 /nfs/dbraw/zinc/79/94/09/467799409.db2.gz LPGSYQLNMYYTBI-UHFFFAOYSA-N 1 2 327.344 2.272 20 5 EEBDLO C[C@H](C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000548885772 468152773 /nfs/dbraw/zinc/15/27/73/468152773.db2.gz SYOREDLWOWROEK-SUMWQHHRSA-N 1 2 340.383 2.266 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000598343772 468838020 /nfs/dbraw/zinc/83/80/20/468838020.db2.gz XKYUKNRNQDSLOV-UHFFFAOYSA-N 1 2 347.415 2.088 20 5 EEBDLO Cc1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)c(C)c1[N+](=O)[O-] ZINC000598602682 468929141 /nfs/dbraw/zinc/92/91/41/468929141.db2.gz CXAXTPHSCOMSMG-UHFFFAOYSA-N 1 2 333.369 2.358 20 5 EEBDLO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595828023 469030326 /nfs/dbraw/zinc/03/03/26/469030326.db2.gz HCZVYWQPVROIIA-LLVKDONJSA-N 1 2 339.342 2.317 20 5 EEBDLO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595828023 469030330 /nfs/dbraw/zinc/03/03/30/469030330.db2.gz HCZVYWQPVROIIA-LLVKDONJSA-N 1 2 339.342 2.317 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1nc2ccccc2n1C ZINC000602794641 469079158 /nfs/dbraw/zinc/07/91/58/469079158.db2.gz XVWOBJZPGAZSAC-UHFFFAOYSA-N 1 2 328.376 2.118 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1nc2ccccc2n1C ZINC000602794641 469079166 /nfs/dbraw/zinc/07/91/66/469079166.db2.gz XVWOBJZPGAZSAC-UHFFFAOYSA-N 1 2 328.376 2.118 20 5 EEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000588810071 469167818 /nfs/dbraw/zinc/16/78/18/469167818.db2.gz APOUGMHQXRFAQJ-OAHLLOKOSA-N 1 2 333.388 2.098 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@H](CCO)C1 ZINC000619152458 469538512 /nfs/dbraw/zinc/53/85/12/469538512.db2.gz KGVXAQLXQKKRRO-OAHLLOKOSA-N 1 2 349.431 2.026 20 5 EEBDLO COc1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000184238714 533815479 /nfs/dbraw/zinc/81/54/79/533815479.db2.gz BXOWPPZCRXSKJL-WFASDCNBSA-N 1 2 342.392 2.449 20 5 EEBDLO COc1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000184238714 533815485 /nfs/dbraw/zinc/81/54/85/533815485.db2.gz BXOWPPZCRXSKJL-WFASDCNBSA-N 1 2 342.392 2.449 20 5 EEBDLO CCCCCN(CCO)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000153646104 528176846 /nfs/dbraw/zinc/17/68/46/528176846.db2.gz HDGHJTWKBKLTSF-UHFFFAOYSA-N 1 2 346.387 2.405 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000774840433 577420248 /nfs/dbraw/zinc/42/02/48/577420248.db2.gz MGWRGTORWPLUSN-LBPRGKRZSA-N 1 2 337.401 2.107 20 5 EEBDLO Cn1c(-c2nc(-c3cccnc3-n3cc[nH+]c3)no2)ccc1[N+](=O)[O-] ZINC000761715177 577688208 /nfs/dbraw/zinc/68/82/08/577688208.db2.gz CYKSHIJEQJMLMF-UHFFFAOYSA-N 1 2 337.299 2.231 20 5 EEBDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741147358 578113669 /nfs/dbraw/zinc/11/36/69/578113669.db2.gz AWAPLARRAKIIJV-WFASDCNBSA-N 1 2 349.387 2.339 20 5 EEBDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741147358 578113670 /nfs/dbraw/zinc/11/36/70/578113670.db2.gz AWAPLARRAKIIJV-WFASDCNBSA-N 1 2 349.387 2.339 20 5 EEBDLO C[C@@H]([NH2+]Cc1nc(Br)nn1C)c1cccc([N+](=O)[O-])c1 ZINC000894193878 681203923 /nfs/dbraw/zinc/20/39/23/681203923.db2.gz VIVDCACHHVXGNI-MRVPVSSYSA-N 1 2 340.181 2.337 20 5 EEBDLO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](CCc2ccncc2)CC1 ZINC000894843678 683183791 /nfs/dbraw/zinc/18/37/91/683183791.db2.gz OUUVJDZIXCTQSW-UHFFFAOYSA-N 1 2 347.806 2.403 20 5 EEBDLO CCCN(CCNC(=O)Cn1cc[nH+]c1)c1cc(C)ccc1[N+](=O)[O-] ZINC001101155627 1245460294 /nfs/dbraw/zinc/46/02/94/1245460294.db2.gz GAMMOURDVDQMPE-UHFFFAOYSA-N 1 2 345.403 2.133 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433665 1292112756 /nfs/dbraw/zinc/11/27/56/1292112756.db2.gz UBQCEGDHZVEPPK-OAHLLOKOSA-N 1 2 349.387 2.409 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433665 1292112760 /nfs/dbraw/zinc/11/27/60/1292112760.db2.gz UBQCEGDHZVEPPK-OAHLLOKOSA-N 1 2 349.387 2.409 20 5 EEBDLO CC(C)CC(=O)N(C)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001102408314 1300998900 /nfs/dbraw/zinc/99/89/00/1300998900.db2.gz HFZYSLBQFAPNNX-UHFFFAOYSA-N 1 2 348.447 2.221 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(OC4CC[NH+](C)CC4)c3nc2cc1C ZINC001228686702 1302380600 /nfs/dbraw/zinc/38/06/00/1302380600.db2.gz OYUPUPSMYOHJGE-UHFFFAOYSA-N 1 2 339.399 2.368 20 5 EEBDLO O=[N+]([O-])c1c(O)cc(O)cc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001228971578 1302551554 /nfs/dbraw/zinc/55/15/54/1302551554.db2.gz QLSBHQIJRUDSEL-UHFFFAOYSA-N 1 2 331.328 2.449 20 5 EEBDLO COc1ccc(Nc2ccc(N3CC[C@H](O)C3)[nH+]c2)c([N+](=O)[O-])c1 ZINC001248470607 1310908175 /nfs/dbraw/zinc/90/81/75/1310908175.db2.gz QIMFUWSVLZEKMA-LBPRGKRZSA-N 1 2 330.344 2.313 20 5 EEBDLO Cn1cc[nH+]c1CCNC(=O)c1ccnc2c1ccc1cccnc12 ZINC001155819796 1317747164 /nfs/dbraw/zinc/74/71/64/1317747164.db2.gz CTXDBMJGNKOHFI-UHFFFAOYSA-N 1 2 331.379 2.489 20 5 EEBDLO CN(C)c1ncccc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001261169093 1322035864 /nfs/dbraw/zinc/03/58/64/1322035864.db2.gz ICXDRFRDNVMNJI-UHFFFAOYSA-N 1 2 341.415 2.378 20 5 EEBDLO CN(CCNC(=O)c1cc2c[nH+]ccc2[nH]1)c1ccccc1[N+](=O)[O-] ZINC001100396337 1338343075 /nfs/dbraw/zinc/34/30/75/1338343075.db2.gz WQDQBHKWPMDXFS-UHFFFAOYSA-N 1 2 339.355 2.337 20 5 EEBDLO CC[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CCCO1 ZINC000853510118 1369343314 /nfs/dbraw/zinc/34/33/14/1369343314.db2.gz HJXKAGFJNITUEL-ZDUSSCGKSA-N 1 2 331.376 2.312 20 5 EEBDLO CC[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CCCO1 ZINC000853510118 1369343318 /nfs/dbraw/zinc/34/33/18/1369343318.db2.gz HJXKAGFJNITUEL-ZDUSSCGKSA-N 1 2 331.376 2.312 20 5 EEBDLO C[N@@H+](CC1=CCSC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000853620401 1369359581 /nfs/dbraw/zinc/35/95/81/1369359581.db2.gz PHAQSYQARQVALR-UHFFFAOYSA-N 1 2 331.401 2.416 20 5 EEBDLO C[N@H+](CC1=CCSC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000853620401 1369359584 /nfs/dbraw/zinc/35/95/84/1369359584.db2.gz PHAQSYQARQVALR-UHFFFAOYSA-N 1 2 331.401 2.416 20 5 EEBDLO Cc1cc(S(=O)(=O)N2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001116078096 1371719764 /nfs/dbraw/zinc/71/97/64/1371719764.db2.gz AFGCYAUFDRZMOU-UHFFFAOYSA-N 1 2 341.433 2.008 20 5 EEBDLO CC(C)N(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)Cn1cc[nH+]c1 ZINC001125543009 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348.447 2.410 20 5 EEBDLO CCN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)Cc1[nH]c[nH+]c1C ZINC001106813630 796689398 /nfs/dbraw/zinc/68/93/98/796689398.db2.gz LAGWPZFNSKJLJZ-UHFFFAOYSA-N 1 2 349.366 2.269 20 5 EEBDLO COC(=O)[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001173213776 797315493 /nfs/dbraw/zinc/31/54/93/797315493.db2.gz KGBAAMGUZAZXAO-BLLLJJGKSA-N 1 2 336.388 2.084 20 5 EEBDLO Cn1cccc1C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001002360095 797961687 /nfs/dbraw/zinc/96/16/87/797961687.db2.gz KQCOVCVLPNYUEY-UHFFFAOYSA-N 1 2 348.428 2.389 20 5 EEBDLO Cc1ncc(C(=O)NC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)[nH]1 ZINC001002467407 798116668 /nfs/dbraw/zinc/11/66/68/798116668.db2.gz XUKBONQEGIZRIS-UHFFFAOYSA-N 1 2 349.416 2.082 20 5 EEBDLO CNc1c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000444658261 798416559 /nfs/dbraw/zinc/41/65/59/798416559.db2.gz FKAODCABXJXPRC-GFCCVEGCSA-N 1 2 343.387 2.390 20 5 EEBDLO CN(CCCNc1ccc([N+](=O)[O-])cc1F)C(=O)CCc1[nH]cc[nH+]1 ZINC001109432989 805455592 /nfs/dbraw/zinc/45/55/92/805455592.db2.gz SBEMSPQBFFDUFI-UHFFFAOYSA-N 1 2 349.366 2.350 20 5 EEBDLO C[C@@H]1OCC[C@]12C[N@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C[C@@H](C)O2 ZINC000790394732 808650243 /nfs/dbraw/zinc/65/02/43/808650243.db2.gz FOZUBNDLZUQYTA-IGCXYCKISA-N 1 2 346.387 2.170 20 5 EEBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)C[C@@H](C)O2 ZINC000790394732 808650247 /nfs/dbraw/zinc/65/02/47/808650247.db2.gz FOZUBNDLZUQYTA-IGCXYCKISA-N 1 2 346.387 2.170 20 5 EEBDLO COc1ccc(C[C@H](C)[N@@H+]2CC[C@@](C)(O)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170334598 809899149 /nfs/dbraw/zinc/89/91/49/809899149.db2.gz HEHVYVIYTUVISY-KNXALSJPSA-N 1 2 326.368 2.329 20 5 EEBDLO COc1ccc(C[C@H](C)[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170334598 809899153 /nfs/dbraw/zinc/89/91/53/809899153.db2.gz HEHVYVIYTUVISY-KNXALSJPSA-N 1 2 326.368 2.329 20 5 EEBDLO Cc1ncncc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001525396979 1120312861 /nfs/dbraw/zinc/31/28/61/1120312861.db2.gz CYVKLNAWRNBOMT-HNNXBMFYSA-N 1 2 342.355 2.125 20 5 EEBDLO Cc1ncncc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001525396979 1120312866 /nfs/dbraw/zinc/31/28/66/1120312866.db2.gz CYVKLNAWRNBOMT-HNNXBMFYSA-N 1 2 342.355 2.125 20 5 EEBDLO CN(CC(=O)N[C@H](c1[nH+]ccn1C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000341692918 282356099 /nfs/dbraw/zinc/35/60/99/282356099.db2.gz RJFAJKXGJFXHGN-INIZCTEOSA-N 1 2 343.387 2.032 20 5 EEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000101865811 219168542 /nfs/dbraw/zinc/16/85/42/219168542.db2.gz VUUWTPMPDOZYSS-UHFFFAOYSA-N 1 2 329.360 2.067 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000179539081 233147252 /nfs/dbraw/zinc/14/72/52/233147252.db2.gz YDRHRNGEAUNFBP-UHFFFAOYSA-N 1 2 349.431 2.361 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000179539081 233147254 /nfs/dbraw/zinc/14/72/54/233147254.db2.gz YDRHRNGEAUNFBP-UHFFFAOYSA-N 1 2 349.431 2.361 20 5 EEBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000193210819 240061329 /nfs/dbraw/zinc/06/13/29/240061329.db2.gz ICQFKCNTLGEASC-KRWDZBQOSA-N 1 2 347.415 2.197 20 5 EEBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000193210819 240061334 /nfs/dbraw/zinc/06/13/34/240061334.db2.gz ICQFKCNTLGEASC-KRWDZBQOSA-N 1 2 347.415 2.197 20 5 EEBDLO Cc1ccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000425960371 241190178 /nfs/dbraw/zinc/19/01/78/241190178.db2.gz XDKIFKBZIKBYHM-INIZCTEOSA-N 1 2 346.431 2.481 20 5 EEBDLO Cc1ccc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000425960371 241190181 /nfs/dbraw/zinc/19/01/81/241190181.db2.gz XDKIFKBZIKBYHM-INIZCTEOSA-N 1 2 346.431 2.481 20 5 EEBDLO O=C(Cc1cn2ccccc2[nH+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446417694 242188998 /nfs/dbraw/zinc/18/89/98/242188998.db2.gz AUZFVIPIMCHXRY-UHFFFAOYSA-N 1 2 336.351 2.370 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CCCOC1 ZINC000447800720 242318356 /nfs/dbraw/zinc/31/83/56/242318356.db2.gz WMYGXYVFSCFYJU-OAHLLOKOSA-N 1 2 335.404 2.266 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000246195697 243208497 /nfs/dbraw/zinc/20/84/97/243208497.db2.gz WZOPTZIZQQZQJI-GHMZBOCLSA-N 1 2 339.417 2.368 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCS[C@H](C)C1 ZINC000246195697 243208506 /nfs/dbraw/zinc/20/85/06/243208506.db2.gz WZOPTZIZQQZQJI-GHMZBOCLSA-N 1 2 339.417 2.368 20 5 EEBDLO C[C@@H]1C[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000455458986 244002321 /nfs/dbraw/zinc/00/23/21/244002321.db2.gz ADSPQMNXALDHKU-RISCZKNCSA-N 1 2 344.375 2.208 20 5 EEBDLO Cc1cc(OCC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000456428978 244255390 /nfs/dbraw/zinc/25/53/90/244255390.db2.gz RSAFNPPITBZEPD-DGCLKSJQSA-N 1 2 330.344 2.301 20 5 EEBDLO C[C@@H](CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000491936204 246223724 /nfs/dbraw/zinc/22/37/24/246223724.db2.gz HKLPJMSPWNAAON-FHMRSRPSSA-N 1 2 332.335 2.396 20 5 EEBDLO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)CS(C)(=O)=O ZINC000093390208 218220544 /nfs/dbraw/zinc/22/05/44/218220544.db2.gz ZRXOQNVWGCZYAB-XOVSCCBYSA-N 1 2 326.418 2.363 20 5 EEBDLO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](C)CS(C)(=O)=O ZINC000093390208 218220546 /nfs/dbraw/zinc/22/05/46/218220546.db2.gz ZRXOQNVWGCZYAB-XOVSCCBYSA-N 1 2 326.418 2.363 20 5 EEBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000152949871 224036536 /nfs/dbraw/zinc/03/65/36/224036536.db2.gz SYYBRMFPATVDMW-GFCCVEGCSA-N 1 2 330.319 2.138 20 5 EEBDLO CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000267807423 256088556 /nfs/dbraw/zinc/08/85/56/256088556.db2.gz MFWHYDKHKQCTLJ-ONGXEEELSA-N 1 2 327.768 2.296 20 5 EEBDLO CO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000267807423 256088557 /nfs/dbraw/zinc/08/85/57/256088557.db2.gz MFWHYDKHKQCTLJ-ONGXEEELSA-N 1 2 327.768 2.296 20 5 EEBDLO C[C@H]1CCC[C@H](CO)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270423443 256134112 /nfs/dbraw/zinc/13/41/12/256134112.db2.gz GNOXJEBOMNBYHK-CMPLNLGQSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@H]1CCC[C@H](CO)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270423443 256134114 /nfs/dbraw/zinc/13/41/14/256134114.db2.gz GNOXJEBOMNBYHK-CMPLNLGQSA-N 1 2 341.795 2.422 20 5 EEBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000273708954 256320101 /nfs/dbraw/zinc/32/01/01/256320101.db2.gz PIJFLMVDKFBZKM-RKDXNWHRSA-N 1 2 335.389 2.433 20 5 EEBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000274035644 256348048 /nfs/dbraw/zinc/34/80/48/256348048.db2.gz QTVAWBIWAJEIHI-LBPRGKRZSA-N 1 2 338.795 2.284 20 5 EEBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000274035644 256348049 /nfs/dbraw/zinc/34/80/49/256348049.db2.gz QTVAWBIWAJEIHI-LBPRGKRZSA-N 1 2 338.795 2.284 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccsc1 ZINC000274681009 256379317 /nfs/dbraw/zinc/37/93/17/256379317.db2.gz IKLJCMGZVDFBAF-ZDUSSCGKSA-N 1 2 335.385 2.395 20 5 EEBDLO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000377346990 154154946 /nfs/dbraw/zinc/15/49/46/154154946.db2.gz RRZWVKUURVULJX-HOTGVXAUSA-N 1 2 334.372 2.044 20 5 EEBDLO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000377346990 154154950 /nfs/dbraw/zinc/15/49/50/154154950.db2.gz RRZWVKUURVULJX-HOTGVXAUSA-N 1 2 334.372 2.044 20 5 EEBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1n[nH]cc1[N+](=O)[O-] ZINC000127624373 292328489 /nfs/dbraw/zinc/32/84/89/292328489.db2.gz ZDPRKPBVYAJMND-UHFFFAOYSA-N 1 2 332.707 2.409 20 5 EEBDLO CCOC(=O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000119119033 159371552 /nfs/dbraw/zinc/37/15/52/159371552.db2.gz PJNUSJOUZDTFGS-CQSZACIVSA-N 1 2 346.387 2.418 20 5 EEBDLO CCOC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000119119033 159371555 /nfs/dbraw/zinc/37/15/55/159371555.db2.gz PJNUSJOUZDTFGS-CQSZACIVSA-N 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EEBDLO Cc1ocnc1C(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980797151 775622370 /nfs/dbraw/zinc/62/23/70/775622370.db2.gz MHMDSRRQUVQEBE-UHFFFAOYSA-N 1 2 344.371 2.239 20 5 EEBDLO Cc1ncoc1C(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980907368 776011741 /nfs/dbraw/zinc/01/17/41/776011741.db2.gz SVNSSTSIESLJHN-UHFFFAOYSA-N 1 2 344.371 2.239 20 5 EEBDLO Cc1ncoc1C(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980907368 776011745 /nfs/dbraw/zinc/01/17/45/776011745.db2.gz SVNSSTSIESLJHN-UHFFFAOYSA-N 1 2 344.371 2.239 20 5 EEBDLO CC(C)(CCC(=O)N1CC[NH+](Cc2ccsc2)CC1)[N+](=O)[O-] ZINC000822255249 787119831 /nfs/dbraw/zinc/11/98/31/787119831.db2.gz IKSCLSRIRNRERP-UHFFFAOYSA-N 1 2 325.434 2.228 20 5 EEBDLO O=C(CCn1cc[nH+]c1)NC/C=C/CNc1ccc([N+](=O)[O-])cc1F ZINC001107446264 787260414 /nfs/dbraw/zinc/26/04/14/787260414.db2.gz ZRZIYZFKMJKGDA-OWOJBTEDSA-N 1 2 347.350 2.105 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)NC/C=C/CNc1cccc(F)c1[N+](=O)[O-] ZINC001107566399 787671605 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20 5 EEBDLO O=C(C[N@@H+]1CC[C@H](n2cccn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000291684150 275329712 /nfs/dbraw/zinc/32/97/12/275329712.db2.gz HAYCURUQPKPZJA-LBPRGKRZSA-N 1 2 349.778 2.330 20 5 EEBDLO O=C(C[N@H+]1CC[C@H](n2cccn2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000291684150 275329714 /nfs/dbraw/zinc/32/97/14/275329714.db2.gz HAYCURUQPKPZJA-LBPRGKRZSA-N 1 2 349.778 2.330 20 5 EEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000293178206 293144286 /nfs/dbraw/zinc/14/42/86/293144286.db2.gz DJAOWDAZMJESLU-CHWSQXEVSA-N 1 2 326.418 2.412 20 5 EEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000293178206 293144289 /nfs/dbraw/zinc/14/42/89/293144289.db2.gz DJAOWDAZMJESLU-CHWSQXEVSA-N 1 2 326.418 2.412 20 5 EEBDLO C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000332292451 311984492 /nfs/dbraw/zinc/98/44/92/311984492.db2.gz JMKQNVWIVHPKKB-IAQYHMDHSA-N 1 2 330.344 2.220 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000430195995 314503158 /nfs/dbraw/zinc/50/31/58/314503158.db2.gz KKZXPFMRNMSXTL-UHFFFAOYSA-N 1 2 346.387 2.218 20 5 EEBDLO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436867227 315008200 /nfs/dbraw/zinc/00/82/00/315008200.db2.gz BGLARSYRJVDLRL-AWEZNQCLSA-N 1 2 341.367 2.305 20 5 EEBDLO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436867227 315008203 /nfs/dbraw/zinc/00/82/03/315008203.db2.gz BGLARSYRJVDLRL-AWEZNQCLSA-N 1 2 341.367 2.305 20 5 EEBDLO COc1cccc(C(=O)NCc2cn3ccc(C)cc3[nH+]2)c1[N+](=O)[O-] ZINC000444026514 315270241 /nfs/dbraw/zinc/27/02/41/315270241.db2.gz YGFGXNZSZMJLQQ-UHFFFAOYSA-N 1 2 340.339 2.490 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)nc2c1 ZINC000444621927 315312257 /nfs/dbraw/zinc/31/22/57/315312257.db2.gz DJWSJIONDUIIHS-DGCLKSJQSA-N 1 2 344.293 2.359 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)nc2c1 ZINC000444621927 315312260 /nfs/dbraw/zinc/31/22/60/315312260.db2.gz DJWSJIONDUIIHS-DGCLKSJQSA-N 1 2 344.293 2.359 20 5 EEBDLO Cc1cc(C)c(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c[nH+]1 ZINC000452040859 315488027 /nfs/dbraw/zinc/48/80/27/315488027.db2.gz IHFMXBVLQQARMM-UHFFFAOYSA-N 1 2 335.385 2.394 20 5 EEBDLO C[C@@H](CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)n1cc[nH+]c1 ZINC000566742059 319316867 /nfs/dbraw/zinc/31/68/67/319316867.db2.gz FHUZWIXNOALNHK-LBPRGKRZSA-N 1 2 330.344 2.032 20 5 EEBDLO COc1ccc(CC(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000568402459 319485674 /nfs/dbraw/zinc/48/56/74/319485674.db2.gz JHKVLBGDGSMWKG-UHFFFAOYSA-N 1 2 332.360 2.229 20 5 EEBDLO CCC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1nnc2ccccn21 ZINC000347595259 465112576 /nfs/dbraw/zinc/11/25/76/465112576.db2.gz AVKQPZQCGWGISU-NSHDSACASA-N 1 2 329.364 2.002 20 5 EEBDLO O=C1NC[C@@H]2[C@H]1CCC[N@H+]2Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339153183 465111072 /nfs/dbraw/zinc/11/10/72/465111072.db2.gz FPGOYEWKKCRHTE-DGCLKSJQSA-N 1 2 343.305 2.324 20 5 EEBDLO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339153183 465111075 /nfs/dbraw/zinc/11/10/75/465111075.db2.gz FPGOYEWKKCRHTE-DGCLKSJQSA-N 1 2 343.305 2.324 20 5 EEBDLO Nc1ccc(NCc2ccc(N3CCCCCC3)[nH+]c2)nc1[N+](=O)[O-] ZINC000590575372 468277065 /nfs/dbraw/zinc/27/70/65/468277065.db2.gz XRICNBTTZCYHBY-UHFFFAOYSA-N 1 2 342.403 2.960 20 5 EEBDLO CCO[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000590625720 468291063 /nfs/dbraw/zinc/29/10/63/468291063.db2.gz HISZJBALPHSCTH-AWEZNQCLSA-N 1 2 344.371 2.422 20 5 EEBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCc1cn2c([nH+]1)CCCC2 ZINC000491092272 468298966 /nfs/dbraw/zinc/29/89/66/468298966.db2.gz MGKOUCHDJGUIOT-TWGQIWQCSA-N 1 2 340.383 2.500 20 5 EEBDLO CC[N@@H+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H]1C ZINC000590690869 468308416 /nfs/dbraw/zinc/30/84/16/468308416.db2.gz IUHSEDLUUUTJDI-LBPRGKRZSA-N 1 2 343.387 2.151 20 5 EEBDLO CC[N@H+]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H]1C ZINC000590690869 468308421 /nfs/dbraw/zinc/30/84/21/468308421.db2.gz IUHSEDLUUUTJDI-LBPRGKRZSA-N 1 2 343.387 2.151 20 5 EEBDLO O=C(OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000089773120 462717291 /nfs/dbraw/zinc/71/72/91/462717291.db2.gz BVIKAUGAZDIJIA-UHFFFAOYSA-N 1 2 330.344 2.249 20 5 EEBDLO CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744792 462820131 /nfs/dbraw/zinc/82/01/31/462820131.db2.gz ZPGJFLJTSTWHLO-CQSZACIVSA-N 1 2 348.447 2.410 20 5 EEBDLO CC(C)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000133198878 462906597 /nfs/dbraw/zinc/90/65/97/462906597.db2.gz XVOVGCHYBAMOLC-GFCCVEGCSA-N 1 2 328.372 2.405 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000156115666 462982157 /nfs/dbraw/zinc/98/21/57/462982157.db2.gz CAAJJWJPRUFAJM-UHFFFAOYSA-N 1 2 333.348 2.354 20 5 EEBDLO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000093613143 463042716 /nfs/dbraw/zinc/04/27/16/463042716.db2.gz RMNHIIJJKDRGIV-HZPDHXFCSA-N 1 2 336.388 2.052 20 5 EEBDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1c([N+](=O)[O-])ncn1C ZINC000078503290 463123650 /nfs/dbraw/zinc/12/36/50/463123650.db2.gz FIPGXHGGKIHVER-UHFFFAOYSA-N 1 2 326.360 2.210 20 5 EEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000121430710 463135433 /nfs/dbraw/zinc/13/54/33/463135433.db2.gz JHJBMWWAVPKBCX-PBHICJAKSA-N 1 2 348.355 2.001 20 5 EEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000121430710 463135437 /nfs/dbraw/zinc/13/54/37/463135437.db2.gz JHJBMWWAVPKBCX-PBHICJAKSA-N 1 2 348.355 2.001 20 5 EEBDLO Cc1nc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cs1 ZINC000053930281 463197045 /nfs/dbraw/zinc/19/70/45/463197045.db2.gz UUJQGIPQXOCJCC-UHFFFAOYSA-N 1 2 343.368 2.475 20 5 EEBDLO CCc1cc(NC[C@](C)(O)COC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000069799102 463327964 /nfs/dbraw/zinc/32/79/64/463327964.db2.gz YORMODIDQHLGMX-KRWDZBQOSA-N 1 2 346.387 2.424 20 5 EEBDLO C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C[C@@H]1n1cc[nH+]c1 ZINC000124299340 463406324 /nfs/dbraw/zinc/40/63/24/463406324.db2.gz FGDUNXOKCQRGHU-RISCZKNCSA-N 1 2 329.360 2.097 20 5 EEBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc(F)cc([N+](=O)[O-])c3N)cn2c1 ZINC000057268165 463473394 /nfs/dbraw/zinc/47/33/94/463473394.db2.gz VLGOTRXBSGUKHF-UHFFFAOYSA-N 1 2 343.318 2.202 20 5 EEBDLO O=C(NC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1)Oc1ccccc1 ZINC000171045645 463767446 /nfs/dbraw/zinc/76/74/46/463767446.db2.gz GZUXSPSLFVTACT-UHFFFAOYSA-N 1 2 345.359 2.002 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000277125423 463882752 /nfs/dbraw/zinc/88/27/52/463882752.db2.gz OEUHGYNFUXIKQA-NSHDSACASA-N 1 2 330.344 2.346 20 5 EEBDLO C[C@@H]1C[N@@H+](CCN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000195318546 464040029 /nfs/dbraw/zinc/04/00/29/464040029.db2.gz YISKOOJNPQOKLB-BETUJISGSA-N 1 2 348.403 2.277 20 5 EEBDLO C[C@@H]1C[N@H+](CCN(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000195318546 464040030 /nfs/dbraw/zinc/04/00/30/464040030.db2.gz YISKOOJNPQOKLB-BETUJISGSA-N 1 2 348.403 2.277 20 5 EEBDLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccco3)CC2)c1[N+](=O)[O-] ZINC000198777665 464093407 /nfs/dbraw/zinc/09/34/07/464093407.db2.gz JJUFCTAUFWDYJA-UHFFFAOYSA-N 1 2 329.356 2.454 20 5 EEBDLO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000179387268 464125177 /nfs/dbraw/zinc/12/51/77/464125177.db2.gz UAXBIVQGWCCQAE-OAHLLOKOSA-N 1 2 329.356 2.333 20 5 EEBDLO CCC(CC)[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000173287913 464230856 /nfs/dbraw/zinc/23/08/56/464230856.db2.gz HZSNCHXDBKULGG-KRWDZBQOSA-N 1 2 349.431 2.348 20 5 EEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000180870748 464411181 /nfs/dbraw/zinc/41/11/81/464411181.db2.gz CJXMJGJCEOPUKM-GFCCVEGCSA-N 1 2 343.387 2.005 20 5 EEBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)COc3ccccc3)C2)cc1 ZINC000189461531 464509282 /nfs/dbraw/zinc/50/92/82/464509282.db2.gz QZWXGYBDSRPCBG-OAHLLOKOSA-N 1 2 344.367 2.098 20 5 EEBDLO C[C@@H]1CSCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190399533 464636207 /nfs/dbraw/zinc/63/62/07/464636207.db2.gz ZIDYCSNKUYDNCJ-LBPRGKRZSA-N 1 2 344.458 2.053 20 5 EEBDLO C[C@@H]1CSCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190399533 464636209 /nfs/dbraw/zinc/63/62/09/464636209.db2.gz ZIDYCSNKUYDNCJ-LBPRGKRZSA-N 1 2 344.458 2.053 20 5 EEBDLO CC1(C)C[NH+]=C(N2CCN(c3cc(N)ccc3[N+](=O)[O-])CC2)S1 ZINC000282252673 464753613 /nfs/dbraw/zinc/75/36/13/464753613.db2.gz RIDOIPUSVRJKAT-UHFFFAOYSA-N 1 2 335.433 2.180 20 5 EEBDLO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1COC1 ZINC000295402053 464818862 /nfs/dbraw/zinc/81/88/62/464818862.db2.gz MCGRJWXXBGNKDL-UHFFFAOYSA-N 1 2 327.768 2.296 20 5 EEBDLO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1COC1 ZINC000295402053 464818868 /nfs/dbraw/zinc/81/88/68/464818868.db2.gz MCGRJWXXBGNKDL-UHFFFAOYSA-N 1 2 327.768 2.296 20 5 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Cc1cc(NCCNC(=O)c2cccc3[nH+]ccn32)ccc1[N+](=O)[O-] ZINC001093986140 795836176 /nfs/dbraw/zinc/83/61/76/795836176.db2.gz BOHSQHJWKNBWSM-UHFFFAOYSA-N 1 2 339.355 2.393 20 5 EEBDLO O=C(NCCNc1ccc(F)cc1[N+](=O)[O-])c1cc2c[nH+]ccc2[nH]1 ZINC001094235524 796027517 /nfs/dbraw/zinc/02/75/17/796027517.db2.gz BYLNHOCXISICHI-UHFFFAOYSA-N 1 2 343.318 2.452 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001110194514 798401248 /nfs/dbraw/zinc/40/12/48/798401248.db2.gz NBETXQRCXJLSSE-UHFFFAOYSA-N 1 2 343.387 2.238 20 5 EEBDLO C[C@H]1C[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC2(CCOCC2)O1 ZINC000790387431 808646467 /nfs/dbraw/zinc/64/64/67/808646467.db2.gz BAGGDSIIRFMFMA-ZDUSSCGKSA-N 1 2 346.387 2.172 20 5 EEBDLO C[C@H]1C[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC2(CCOCC2)O1 ZINC000790387431 808646470 /nfs/dbraw/zinc/64/64/70/808646470.db2.gz BAGGDSIIRFMFMA-ZDUSSCGKSA-N 1 2 346.387 2.172 20 5 EEBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001522585719 1119428418 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243192336 /nfs/dbraw/zinc/19/23/36/243192336.db2.gz SJSCGQSOQXLZIK-AWEZNQCLSA-N 1 2 342.417 2.003 20 5 EEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000020543014 212145403 /nfs/dbraw/zinc/14/54/03/212145403.db2.gz UYWYUWOZNGTBAD-UHFFFAOYSA-N 1 2 341.371 2.340 20 5 EEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000456347447 244222672 /nfs/dbraw/zinc/22/26/72/244222672.db2.gz JVQHWFXBUMHEFT-SECBINFHSA-N 1 2 336.323 2.450 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000080405416 217302638 /nfs/dbraw/zinc/30/26/38/217302638.db2.gz DKBDIFHDXCAEJR-HNNXBMFYSA-N 1 2 347.346 2.472 20 5 EEBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@H]1CCCn2cc[nH+]c21 ZINC000492234106 246360631 /nfs/dbraw/zinc/36/06/31/246360631.db2.gz MCQYCLKCUVJTCB-WBTMPAOCSA-N 1 2 326.356 2.498 20 5 EEBDLO O=C(Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000010809207 211189769 /nfs/dbraw/zinc/18/97/69/211189769.db2.gz UMHQUNQJFMCMFY-UHFFFAOYSA-N 1 2 325.122 2.193 20 5 EEBDLO O=[N+]([O-])c1ccc(OCCN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000153212601 224074435 /nfs/dbraw/zinc/07/44/35/224074435.db2.gz CWSQSEDFIZIPCY-UHFFFAOYSA-N 1 2 342.399 2.186 20 5 EEBDLO CCC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272907932 256248304 /nfs/dbraw/zinc/24/83/04/256248304.db2.gz FTZZACCAOASFMP-UHFFFAOYSA-N 1 2 326.418 2.491 20 5 EEBDLO CN(CCCCCO)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000357679386 153284792 /nfs/dbraw/zinc/28/47/92/153284792.db2.gz ISQIEJNVNPMKHB-UHFFFAOYSA-N 1 2 337.420 2.026 20 5 EEBDLO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(Cc2ccccc2)no1 ZINC000131000011 292381345 /nfs/dbraw/zinc/38/13/45/292381345.db2.gz SZJOJNOQIBQONG-LBPRGKRZSA-N 1 2 342.359 2.116 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000305350712 160515594 /nfs/dbraw/zinc/51/55/94/160515594.db2.gz WDXPHBWPKSJWTM-CYBMUJFWSA-N 1 2 329.360 2.127 20 5 EEBDLO C[C@H]1c2cccn2CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194364330 160192927 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EEBDLO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000364096720 165020721 /nfs/dbraw/zinc/02/07/21/165020721.db2.gz RBWCFOITIUQRFO-GFCCVEGCSA-N 1 2 331.288 2.203 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368963614 166161055 /nfs/dbraw/zinc/16/10/55/166161055.db2.gz KUGYOPBGKHOYLI-XGWLTEMNSA-N 1 2 347.415 2.468 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368963614 166161058 /nfs/dbraw/zinc/16/10/58/166161058.db2.gz KUGYOPBGKHOYLI-XGWLTEMNSA-N 1 2 347.415 2.468 20 5 EEBDLO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374382815 167030313 /nfs/dbraw/zinc/03/03/13/167030313.db2.gz BUBOBAXBDFVKSM-HNNXBMFYSA-N 1 2 346.774 2.430 20 5 EEBDLO C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000122869667 222175157 /nfs/dbraw/zinc/17/51/57/222175157.db2.gz STZSJKIKCHMAIX-CJNGLKHVSA-N 1 2 328.372 2.444 20 5 EEBDLO Cc1nn(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000183296321 274015300 /nfs/dbraw/zinc/01/53/00/274015300.db2.gz PRHSJSOVVZMBCJ-UHFFFAOYSA-N 1 2 339.396 2.046 20 5 EEBDLO CO[C@@H](C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293593652 293246466 /nfs/dbraw/zinc/24/64/66/293246466.db2.gz CXDOUUKYJSTZKX-JKSUJKDBSA-N 1 2 330.388 2.432 20 5 EEBDLO Cc1cc(NCc2ncn(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000301939909 294913241 /nfs/dbraw/zinc/91/32/41/294913241.db2.gz VOMADDIFACKYPQ-UHFFFAOYSA-N 1 2 325.332 2.101 20 5 EEBDLO COc1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000301970552 294916253 /nfs/dbraw/zinc/91/62/53/294916253.db2.gz RMWIMVPSJXTBRC-QWRGUYRKSA-N 1 2 327.356 2.264 20 5 EEBDLO COc1cccc([C@@H](Nc2ncc([N+](=O)[O-])cn2)c2[nH+]ccn2C)c1 ZINC000302142109 294933449 /nfs/dbraw/zinc/93/34/49/294933449.db2.gz FKWOKPYGPSBVFK-CQSZACIVSA-N 1 2 340.343 2.328 20 5 EEBDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000161075443 311361743 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341.795 2.422 20 5 EEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](O)CC1 ZINC000815299619 1367860768 /nfs/dbraw/zinc/86/07/68/1367860768.db2.gz KAOPSIATORQSIY-JQWIXIFHSA-N 1 2 341.795 2.422 20 5 EEBDLO C[N@H+](C[C@H]1COCCO1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000853558470 1369349776 /nfs/dbraw/zinc/34/97/76/1369349776.db2.gz SLEAXIUHDUCUGV-NSHDSACASA-N 1 2 339.373 2.177 20 5 EEBDLO C[N@@H+](C[C@H]1COCCO1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000853558470 1369349779 /nfs/dbraw/zinc/34/97/79/1369349779.db2.gz SLEAXIUHDUCUGV-NSHDSACASA-N 1 2 339.373 2.177 20 5 EEBDLO CCN(CCNC(=O)CCc1[nH]cc[nH+]1)c1cc(C)ccc1[N+](=O)[O-] ZINC001100510059 1410660278 /nfs/dbraw/zinc/66/02/78/1410660278.db2.gz MIRMTUHSIHHDEQ-UHFFFAOYSA-N 1 2 345.403 2.202 20 5 EEBDLO Cc1noc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)c1C ZINC001031755184 775017588 /nfs/dbraw/zinc/01/75/88/775017588.db2.gz APVCAIWKKKMHJI-UHFFFAOYSA-N 1 2 344.371 2.061 20 5 EEBDLO CO[C@@H](COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000816382843 783958750 /nfs/dbraw/zinc/95/87/50/783958750.db2.gz ZVXWVVQTKYFRIS-HNNXBMFYSA-N 1 2 331.328 2.362 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)CCc3[nH]cc[nH+]3)CC2)c1 ZINC001110124543 793354048 /nfs/dbraw/zinc/35/40/48/793354048.db2.gz RKXJPCKLBQSVGH-UHFFFAOYSA-N 1 2 343.387 2.320 20 5 EEBDLO O=C(NCCCNc1ccc([N+](=O)[O-])cn1)c1cc2c[nH+]ccc2[nH]1 ZINC001094873337 796879278 /nfs/dbraw/zinc/87/92/78/796879278.db2.gz UOANHIDEQODNKQ-UHFFFAOYSA-N 1 2 340.343 2.098 20 5 EEBDLO Cn1cc[nH+]c1CCC(=O)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094907886 796985166 /nfs/dbraw/zinc/98/51/66/796985166.db2.gz WMPKUNDLXIDPPY-UHFFFAOYSA-N 1 2 349.366 2.018 20 5 EEBDLO COC(=O)CC1C[NH+]([C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC001173190503 797282248 /nfs/dbraw/zinc/28/22/48/797282248.db2.gz UHJODHPHOZSNHP-SNVBAGLBSA-N 1 2 340.351 2.168 20 5 EEBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000785949099 806639759 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ZINC000262559068 245032402 /nfs/dbraw/zinc/03/24/02/245032402.db2.gz XNEXIXBUPMVYCG-ZDUSSCGKSA-N 1 2 339.367 2.105 20 5 EEBDLO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000262559068 245032408 /nfs/dbraw/zinc/03/24/08/245032408.db2.gz XNEXIXBUPMVYCG-ZDUSSCGKSA-N 1 2 339.367 2.105 20 5 EEBDLO CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000270860776 256180679 /nfs/dbraw/zinc/18/06/79/256180679.db2.gz ICMZHHUOLNKPIF-RULNRJAQSA-N 1 2 341.795 2.278 20 5 EEBDLO CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1O ZINC000270860776 256180680 /nfs/dbraw/zinc/18/06/80/256180680.db2.gz ICMZHHUOLNKPIF-RULNRJAQSA-N 1 2 341.795 2.278 20 5 EEBDLO CNC(=O)N1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000354116122 153116388 /nfs/dbraw/zinc/11/63/88/153116388.db2.gz JVUOGFZMVKGMFP-UHFFFAOYSA-N 1 2 344.371 2.312 20 5 EEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000119654217 159380749 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C[C@H]1C[C@H](CO)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000344138127 161201684 /nfs/dbraw/zinc/20/16/84/161201684.db2.gz WYBGVVZJNCAMNS-WDEREUQCSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1c[nH+]cn1C ZINC000355251054 163122869 /nfs/dbraw/zinc/12/28/69/163122869.db2.gz JXCYREATBVRIDU-SECBINFHSA-N 1 2 338.751 2.065 20 5 EEBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000356077627 163326435 /nfs/dbraw/zinc/32/64/35/163326435.db2.gz MUOFSHAKHHMWFM-JSGCOSHPSA-N 1 2 344.371 2.325 20 5 EEBDLO CCOC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000359815985 164177143 /nfs/dbraw/zinc/17/71/43/164177143.db2.gz VOEPNBTVYLWJFH-GOEBONIOSA-N 1 2 336.388 2.085 20 5 EEBDLO C[C@@H]1COCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000374356087 167024275 /nfs/dbraw/zinc/02/42/75/167024275.db2.gz HHWODQQJUKAZBE-JTQLQIEISA-N 1 2 327.768 2.155 20 5 EEBDLO C[C@@H]1COCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000374356087 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O=C(C[N@H+]1CC[C@@H](n2cccn2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000291849845 275346253 /nfs/dbraw/zinc/34/62/53/275346253.db2.gz OZHJHQDJKHGRJH-GFCCVEGCSA-N 1 2 349.778 2.330 20 5 EEBDLO CC(C)C[N@H+](CC(N)=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089885644 277378638 /nfs/dbraw/zinc/37/86/38/277378638.db2.gz JLUHBMVUGNJOSP-UHFFFAOYSA-N 1 2 332.360 2.193 20 5 EEBDLO CC(C)C[N@@H+](CC(N)=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089885644 277378639 /nfs/dbraw/zinc/37/86/39/277378639.db2.gz JLUHBMVUGNJOSP-UHFFFAOYSA-N 1 2 332.360 2.193 20 5 EEBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000373920667 288737768 /nfs/dbraw/zinc/73/77/68/288737768.db2.gz CURNCEQJEQOXQY-CYBMUJFWSA-N 1 2 344.375 2.387 20 5 EEBDLO CN(C)c1ccc(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000490736650 289408860 /nfs/dbraw/zinc/40/88/60/289408860.db2.gz YARXZPNDFVEJFC-CLFYSBASSA-N 1 2 326.356 2.385 20 5 EEBDLO CC(C)(C)OCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293047179 293111149 /nfs/dbraw/zinc/11/11/49/293111149.db2.gz HNCMMVUCSGCACC-UHFFFAOYSA-N 1 2 335.404 2.168 20 5 EEBDLO CN(C)c1cc(F)c(C(=O)NCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000294995422 293600660 /nfs/dbraw/zinc/60/06/60/293600660.db2.gz HKRXXWPTBQLZGM-UHFFFAOYSA-N 1 2 347.350 2.037 20 5 EEBDLO CCc1cc(NCCn2cncn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299095988 294660018 /nfs/dbraw/zinc/66/00/18/294660018.db2.gz XNAYPOFKCRORCU-UHFFFAOYSA-N 1 2 339.359 2.318 20 5 EEBDLO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000451950021 301693539 /nfs/dbraw/zinc/69/35/39/301693539.db2.gz ZVRSWUAFRSJTMJ-CMPLNLGQSA-N 1 2 336.373 2.084 20 5 EEBDLO CO[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1(C)C ZINC000439817948 315097471 /nfs/dbraw/zinc/09/74/71/315097471.db2.gz DCZFXECSALGMBT-CABCVRRESA-N 1 2 344.371 2.324 20 5 EEBDLO CO[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000452881791 315610462 /nfs/dbraw/zinc/61/04/62/315610462.db2.gz MLZFLFOAXCPCOI-BLLLJJGKSA-N 1 2 344.371 2.278 20 5 EEBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459794577 315760144 /nfs/dbraw/zinc/76/01/44/315760144.db2.gz PTHOJLLLAPGSTH-SECBINFHSA-N 1 2 337.767 2.271 20 5 EEBDLO C[C@H](C(=O)N1CC[NH2+][C@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000548885771 318418789 /nfs/dbraw/zinc/41/87/89/318418789.db2.gz SYOREDLWOWROEK-GUYCJALGSA-N 1 2 340.383 2.266 20 5 EEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000556551950 318623160 /nfs/dbraw/zinc/62/31/60/318623160.db2.gz OYWFCDQUDXQWSY-LBPRGKRZSA-N 1 2 347.375 2.250 20 5 EEBDLO O=C(NCc1cccc([N+](=O)[O-])c1)C1CC[NH+](CC(F)F)CC1 ZINC000558470570 318712108 /nfs/dbraw/zinc/71/21/08/318712108.db2.gz JQSZMLAHQJKKLK-UHFFFAOYSA-N 1 2 327.331 2.188 20 5 EEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000574464789 320028131 /nfs/dbraw/zinc/02/81/31/320028131.db2.gz SWZOGHVBHAXWAD-GFCCVEGCSA-N 1 2 349.366 2.268 20 5 EEBDLO CC(C)Oc1nc(N2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000577886750 320282880 /nfs/dbraw/zinc/28/28/80/320282880.db2.gz UAMUXXKEYSHJEG-UHFFFAOYSA-N 1 2 343.387 2.499 20 5 EEBDLO O=[N+]([O-])c1ccc(CCn2c3ccccc3[nH+]c2NCCO)cc1 ZINC000341174211 465032472 /nfs/dbraw/zinc/03/24/72/465032472.db2.gz IBKDKERWVSJEPW-UHFFFAOYSA-N 1 2 326.356 2.591 20 5 EEBDLO CS(=O)(=O)c1ccc(F)c(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000337263660 465274764 /nfs/dbraw/zinc/27/47/64/465274764.db2.gz RQPGFMHDVXPSPE-UHFFFAOYSA-N 1 2 338.360 2.427 20 5 EEBDLO Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000359497214 465413972 /nfs/dbraw/zinc/41/39/72/465413972.db2.gz AAIWOAMHTLGXFO-VIFPVBQESA-N 1 2 338.751 2.363 20 5 EEBDLO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(=O)(=O)CC ZINC000112998729 462563222 /nfs/dbraw/zinc/56/32/22/462563222.db2.gz WONNFKGRUNIEFC-ZDUSSCGKSA-N 1 2 344.433 2.119 20 5 EEBDLO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(=O)(=O)CC ZINC000112998729 462563230 /nfs/dbraw/zinc/56/32/30/462563230.db2.gz WONNFKGRUNIEFC-ZDUSSCGKSA-N 1 2 344.433 2.119 20 5 EEBDLO O=C(NCc1[nH]cc[nH+]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000114338126 462636644 /nfs/dbraw/zinc/63/66/44/462636644.db2.gz DHOLZIACSNQHLC-UHFFFAOYSA-N 1 2 329.341 2.371 20 5 EEBDLO C[C@@H]1CN(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@@H](C)O1 ZINC000130329285 462750923 /nfs/dbraw/zinc/75/09/23/462750923.db2.gz YOIRBZGBXPUOEL-ZIAGYGMSSA-N 1 2 347.415 2.195 20 5 EEBDLO C[C@@H]1CN(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@@H](C)O1 ZINC000130329285 462750927 /nfs/dbraw/zinc/75/09/27/462750927.db2.gz YOIRBZGBXPUOEL-ZIAGYGMSSA-N 1 2 347.415 2.195 20 5 EEBDLO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000065668114 462818404 /nfs/dbraw/zinc/81/84/04/462818404.db2.gz WPVIFVMSQMSDKK-UHFFFAOYSA-N 1 2 348.309 2.230 20 5 EEBDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744771 462820168 /nfs/dbraw/zinc/82/01/68/462820168.db2.gz SGAZXKWZKVUCCI-HNNXBMFYSA-N 1 2 348.447 2.412 20 5 EEBDLO COC(=O)[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000131703686 462822905 /nfs/dbraw/zinc/82/29/05/462822905.db2.gz ZPJXRYDGRPKVLT-MRXNPFEDSA-N 1 2 346.339 2.229 20 5 EEBDLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000131703686 462822908 /nfs/dbraw/zinc/82/29/08/462822908.db2.gz ZPJXRYDGRPKVLT-MRXNPFEDSA-N 1 2 346.339 2.229 20 5 EEBDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000047794770 462823762 /nfs/dbraw/zinc/82/37/62/462823762.db2.gz NZEDBJTWEVCDGW-CYBMUJFWSA-N 1 2 337.376 2.314 20 5 EEBDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000047794770 462823766 /nfs/dbraw/zinc/82/37/66/462823766.db2.gz NZEDBJTWEVCDGW-CYBMUJFWSA-N 1 2 337.376 2.314 20 5 EEBDLO Cn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1cccc(F)c1 ZINC000076267489 462832335 /nfs/dbraw/zinc/83/23/35/462832335.db2.gz ZUMCHRRDNCLCHW-GFCCVEGCSA-N 1 2 343.322 2.041 20 5 EEBDLO Cc1nn(C)c(NCCc2[nH+]c3ccc(F)cc3n2C)c1[N+](=O)[O-] ZINC000077209592 462951726 /nfs/dbraw/zinc/95/17/26/462951726.db2.gz ODJVVTAVAVWOEI-UHFFFAOYSA-N 1 2 332.339 2.317 20 5 EEBDLO COC(=O)c1cc(C(=O)Nc2ccc[nH+]c2N(C)C)cc([N+](=O)[O-])c1 ZINC000049727833 462974933 /nfs/dbraw/zinc/97/49/33/462974933.db2.gz ACPZMCPNDOBXJA-UHFFFAOYSA-N 1 2 344.327 2.095 20 5 EEBDLO Cc1cnc(NCc2ccc[nH+]c2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000078629351 463135953 /nfs/dbraw/zinc/13/59/53/463135953.db2.gz VDUQDPRIEHYQBI-UHFFFAOYSA-N 1 2 329.360 2.142 20 5 EEBDLO C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000159203213 463272835 /nfs/dbraw/zinc/27/28/35/463272835.db2.gz RHAUQAUVGNYNIT-UHFFFAOYSA-N 1 2 329.356 2.292 20 5 EEBDLO Cc1nn(C)c(C)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000032053358 463362360 /nfs/dbraw/zinc/36/23/60/463362360.db2.gz TWKDRBZTLLPLFT-UHFFFAOYSA-N 1 2 340.343 2.383 20 5 EEBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(c2ncccn2)CC1 ZINC000033299967 463421519 /nfs/dbraw/zinc/42/15/19/463421519.db2.gz HFAZPLCUZFISFY-UTCJRWHESA-N 1 2 325.372 2.220 20 5 EEBDLO Cc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000161335826 463422014 /nfs/dbraw/zinc/42/20/14/463422014.db2.gz BERFJDDICROOHA-CQSZACIVSA-N 1 2 326.356 2.307 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nccn1C ZINC000124663900 463450044 /nfs/dbraw/zinc/45/00/44/463450044.db2.gz GBRPOLGDWQIIPT-UHFFFAOYSA-N 1 2 331.376 2.097 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nccn1C ZINC000124663900 463450048 /nfs/dbraw/zinc/45/00/48/463450048.db2.gz GBRPOLGDWQIIPT-UHFFFAOYSA-N 1 2 331.376 2.097 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000185004754 463734138 /nfs/dbraw/zinc/73/41/38/463734138.db2.gz CDAXDFYXFLAPBF-AWEZNQCLSA-N 1 2 333.388 2.391 20 5 EEBDLO COc1cccc(N2CC[NH+](Cc3cc(C)no3)CC2)c1[N+](=O)[O-] ZINC000185130100 463758974 /nfs/dbraw/zinc/75/89/74/463758974.db2.gz WOPZEASESQRIHG-UHFFFAOYSA-N 1 2 332.360 2.222 20 5 EEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccn2cc[nH+]c2c1 ZINC000178065667 463838730 /nfs/dbraw/zinc/83/87/30/463838730.db2.gz RZTTUMDUILQEPJ-UHFFFAOYSA-N 1 2 339.355 2.361 20 5 EEBDLO O=C(NCc1ccn2cc[nH+]c2c1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000178065791 463838864 /nfs/dbraw/zinc/83/88/64/463838864.db2.gz VQGMHLMOQCYCHU-UHFFFAOYSA-N 1 2 336.311 2.049 20 5 EEBDLO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000194739368 463920068 /nfs/dbraw/zinc/92/00/68/463920068.db2.gz LWQAQTPHHPXLCR-GFCCVEGCSA-N 1 2 335.385 2.395 20 5 EEBDLO COc1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000194758963 463924543 /nfs/dbraw/zinc/92/45/43/463924543.db2.gz HXKGYAHOYZTLAL-GFCCVEGCSA-N 1 2 342.355 2.007 20 5 EEBDLO O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1cc2ccccc2c2cccnc12 ZINC000178786427 463973586 /nfs/dbraw/zinc/97/35/86/463973586.db2.gz KPUTWWZDCWORRA-MRXNPFEDSA-N 1 2 346.434 2.118 20 5 EEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000287781749 463998292 /nfs/dbraw/zinc/99/82/92/463998292.db2.gz OHECFKZTOVFLBX-BETUJISGSA-N 1 2 335.404 2.343 20 5 EEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000287781749 463998294 /nfs/dbraw/zinc/99/82/94/463998294.db2.gz OHECFKZTOVFLBX-BETUJISGSA-N 1 2 335.404 2.343 20 5 EEBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1Cc1ccccc1 ZINC000284810752 464350705 /nfs/dbraw/zinc/35/07/05/464350705.db2.gz XACZRHKUSDCNOT-CQSZACIVSA-N 1 2 329.356 2.187 20 5 EEBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1Cc1ccccc1 ZINC000284810752 464350709 /nfs/dbraw/zinc/35/07/09/464350709.db2.gz XACZRHKUSDCNOT-CQSZACIVSA-N 1 2 329.356 2.187 20 5 EEBDLO C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Cn1cc[nH+]c1 ZINC000265774033 464681396 /nfs/dbraw/zinc/68/13/96/464681396.db2.gz FIMCVCZJHGLIIV-LLVKDONJSA-N 1 2 327.344 2.339 20 5 EEBDLO CCOc1cccc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286491594 464937596 /nfs/dbraw/zinc/93/75/96/464937596.db2.gz XITBTCSXQHRYMS-UONOGXRCSA-N 1 2 335.404 2.293 20 5 EEBDLO CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000347971793 465344049 /nfs/dbraw/zinc/34/40/49/465344049.db2.gz TWZBQUSWNDPZRK-GFCCVEGCSA-N 1 2 340.343 2.385 20 5 EEBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000351951834 465461202 /nfs/dbraw/zinc/46/12/02/465461202.db2.gz OGSAGFBEVASCAY-UHFFFAOYSA-N 1 2 332.707 2.409 20 5 EEBDLO COc1cc(C)[nH+]c(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000339743533 465481545 /nfs/dbraw/zinc/48/15/45/465481545.db2.gz SFLAPFFLOZQUNL-UHFFFAOYSA-N 1 2 327.296 2.103 20 5 EEBDLO Cn1ccnc1[C@@H]([NH2+]CC1=CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000348216597 465496102 /nfs/dbraw/zinc/49/61/02/465496102.db2.gz OYFADHZWOLYDDC-INIZCTEOSA-N 1 2 328.372 2.354 20 5 EEBDLO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000371527709 465856621 /nfs/dbraw/zinc/85/66/21/465856621.db2.gz ITEICKRGQHEFCY-SNVBAGLBSA-N 1 2 344.356 2.300 20 5 EEBDLO 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ZINC000159665114 1208490730 /nfs/dbraw/zinc/49/07/30/1208490730.db2.gz AESFVGWWJQIRST-UHFFFAOYSA-N 1 2 339.346 2.175 20 5 EEBDLO O=[N+]([O-])c1ccc2cnn(C[N@H+]3CCCN(CC(F)F)CC3)c2c1 ZINC000159665114 1208490732 /nfs/dbraw/zinc/49/07/32/1208490732.db2.gz AESFVGWWJQIRST-UHFFFAOYSA-N 1 2 339.346 2.175 20 5 EEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1cc2[nH]cccc-2c1=O ZINC000795646213 1214576654 /nfs/dbraw/zinc/57/66/54/1214576654.db2.gz VJQQVGVSKMCTQY-UHFFFAOYSA-N 1 2 326.356 2.078 20 5 EEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cn1cc2[nH]cccc-2c1=O ZINC000795646213 1214576659 /nfs/dbraw/zinc/57/66/59/1214576659.db2.gz VJQQVGVSKMCTQY-UHFFFAOYSA-N 1 2 326.356 2.078 20 5 EEBDLO CCN(CCCNC(=O)Cc1c[nH]c[nH+]1)c1cccc(F)c1[N+](=O)[O-] ZINC001095972878 1232833498 /nfs/dbraw/zinc/83/34/98/1232833498.db2.gz CWIYIEHJPNGWDF-UHFFFAOYSA-N 1 2 349.366 2.032 20 5 EEBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000801517068 1235759820 /nfs/dbraw/zinc/75/98/20/1235759820.db2.gz 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COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1Cc2ccncc2C1 ZINC000857878090 1293939050 /nfs/dbraw/zinc/93/90/50/1293939050.db2.gz LMLMCOPBJNYCGF-UHFFFAOYSA-N 1 2 342.355 2.343 20 5 EEBDLO CCCSc1nc(O[C@H]2CC[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218029816 1297550504 /nfs/dbraw/zinc/55/05/04/1297550504.db2.gz NKIPVEGFUZOCPU-UWVGGRQHSA-N 1 2 342.421 2.359 20 5 EEBDLO CCCSc1nc(O[C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218061271 1297559674 /nfs/dbraw/zinc/55/96/74/1297559674.db2.gz OZCJWPSIDMLWQE-RKDXNWHRSA-N 1 2 328.394 2.112 20 5 EEBDLO C/C=C(/C)C(=O)N(C)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001102416377 1301009916 /nfs/dbraw/zinc/00/99/16/1301009916.db2.gz RQGUVMVJBSDYIG-TVPGTPATSA-N 1 2 346.431 2.141 20 5 EEBDLO Cc1cc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c(C)c[nH+]1 ZINC000781788825 1303863607 /nfs/dbraw/zinc/86/36/07/1303863607.db2.gz LEYMIOVNKQDQFV-INIZCTEOSA-N 1 2 340.339 2.160 20 5 EEBDLO O=C(OCC[C@H]1CCOC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835481860 1314923173 /nfs/dbraw/zinc/92/31/73/1314923173.db2.gz SMWHTBVKNQSKNX-GFCCVEGCSA-N 1 2 331.328 2.364 20 5 EEBDLO CCn1ccc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000842802268 1315776703 /nfs/dbraw/zinc/77/67/03/1315776703.db2.gz UJHNZXXOKTZDFM-HNNXBMFYSA-N 1 2 344.371 2.243 20 5 EEBDLO CCn1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000842802268 1315776707 /nfs/dbraw/zinc/77/67/07/1315776707.db2.gz UJHNZXXOKTZDFM-HNNXBMFYSA-N 1 2 344.371 2.243 20 5 EEBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001251555377 1317469503 /nfs/dbraw/zinc/46/95/03/1317469503.db2.gz MOEFHCBVOYPKKY-LLVKDONJSA-N 1 2 329.360 2.379 20 5 EEBDLO CCO[C@H]1C[C@H]1COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835360106 1372617018 /nfs/dbraw/zinc/61/70/18/1372617018.db2.gz OISRYKHNEVJNKI-WFASDCNBSA-N 1 2 331.328 2.362 20 5 EEBDLO Cc1noc(C)c1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031540202 769485268 /nfs/dbraw/zinc/48/52/68/769485268.db2.gz HBCWLFBATXQPBQ-UHFFFAOYSA-N 1 2 344.371 2.061 20 5 EEBDLO Cc1nn(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000817374461 784722947 /nfs/dbraw/zinc/72/29/47/784722947.db2.gz JWIUCUQSVSEITD-DGCLKSJQSA-N 1 2 338.408 2.357 20 5 EEBDLO Cc1nn(C[N@H+]2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000817374461 784722954 /nfs/dbraw/zinc/72/29/54/784722954.db2.gz JWIUCUQSVSEITD-DGCLKSJQSA-N 1 2 338.408 2.357 20 5 EEBDLO Cc1cc(C)c(C(=O)NCCNc2ncc([N+](=O)[O-])cc2C)c(C)[nH+]1 ZINC001094292252 796094722 /nfs/dbraw/zinc/09/47/22/796094722.db2.gz QYUJDKVQPPNOPF-UHFFFAOYSA-N 1 2 343.387 2.460 20 5 EEBDLO CCN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)CCc1[nH]cc[nH+]1 ZINC001106759792 796470381 /nfs/dbraw/zinc/47/03/81/796470381.db2.gz YLSWZUPWSWIACY-UHFFFAOYSA-N 1 2 349.366 2.350 20 5 EEBDLO COc1cccc(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000444667237 798427975 /nfs/dbraw/zinc/42/79/75/798427975.db2.gz SNRGBLLVGYWCLH-GFCCVEGCSA-N 1 2 344.371 2.357 20 5 EEBDLO CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)O ZINC000451348827 243085401 /nfs/dbraw/zinc/08/54/01/243085401.db2.gz XKMGSGZYSUFIPK-HNNXBMFYSA-N 1 2 346.387 2.306 20 5 EEBDLO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000020544014 212146153 /nfs/dbraw/zinc/14/61/53/212146153.db2.gz YWOSZJVLJBWZDY-UHFFFAOYSA-N 1 2 341.371 2.340 20 5 EEBDLO CC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000495214790 247088086 /nfs/dbraw/zinc/08/80/86/247088086.db2.gz XNQKRJVLHLDONO-BMIGLBTASA-N 1 2 341.795 2.422 20 5 EEBDLO CC[C@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000495214790 247088089 /nfs/dbraw/zinc/08/80/89/247088089.db2.gz XNQKRJVLHLDONO-BMIGLBTASA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@H]1SCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000118411960 221147326 /nfs/dbraw/zinc/14/73/26/221147326.db2.gz VERIEKPEFQKWIH-NWDGAFQWSA-N 1 2 335.429 2.310 20 5 EEBDLO 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ZINC000377346992 154155666 /nfs/dbraw/zinc/15/56/66/154155666.db2.gz RRZWVKUURVULJX-JKSUJKDBSA-N 1 2 334.372 2.044 20 5 EEBDLO O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000377346992 154155667 /nfs/dbraw/zinc/15/56/67/154155667.db2.gz RRZWVKUURVULJX-JKSUJKDBSA-N 1 2 334.372 2.044 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3c(cccc3C)[nH+]2)c1 ZINC000068568984 159022055 /nfs/dbraw/zinc/02/20/55/159022055.db2.gz MIUXBCCPTFXEBC-UHFFFAOYSA-N 1 2 340.339 2.490 20 5 EEBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093420300 159234976 /nfs/dbraw/zinc/23/49/76/159234976.db2.gz AUMGTZWWXQEGJF-VOWYIILJSA-N 1 2 326.418 2.361 20 5 EEBDLO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093420300 159234978 /nfs/dbraw/zinc/23/49/78/159234978.db2.gz AUMGTZWWXQEGJF-VOWYIILJSA-N 1 2 326.418 2.361 20 5 EEBDLO Cc1nn(C)c(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1[N+](=O)[O-] ZINC000098105132 159250196 /nfs/dbraw/zinc/25/01/96/159250196.db2.gz CXXZJXMCHQSSOJ-UHFFFAOYSA-N 1 2 340.343 2.290 20 5 EEBDLO CCOC(=O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000119118910 159370891 /nfs/dbraw/zinc/37/08/91/159370891.db2.gz PJNUSJOUZDTFGS-AWEZNQCLSA-N 1 2 346.387 2.418 20 5 EEBDLO CCOC(=O)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000119118910 159370896 /nfs/dbraw/zinc/37/08/96/159370896.db2.gz PJNUSJOUZDTFGS-AWEZNQCLSA-N 1 2 346.387 2.418 20 5 EEBDLO CC[N@H+](CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000186796146 160083681 /nfs/dbraw/zinc/08/36/81/160083681.db2.gz VHTIBRPTXYSSOH-UHFFFAOYSA-N 1 2 344.371 2.342 20 5 EEBDLO CC[N@@H+](CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000186796146 160083685 /nfs/dbraw/zinc/08/36/85/160083685.db2.gz VHTIBRPTXYSSOH-UHFFFAOYSA-N 1 2 344.371 2.342 20 5 EEBDLO Cc1nc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000342661634 161081401 /nfs/dbraw/zinc/08/14/01/161081401.db2.gz KLNPHJUFCAWXDF-ZDUSSCGKSA-N 1 2 337.401 2.231 20 5 EEBDLO 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ZINC000342167925 161045074 /nfs/dbraw/zinc/04/50/74/161045074.db2.gz JPSKPEKDMQHSDC-UHFFFAOYSA-N 1 2 340.339 2.246 20 5 EEBDLO CCCc1noc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000345671519 161321202 /nfs/dbraw/zinc/32/12/02/161321202.db2.gz QRNOPSZCMQCKGC-LLVKDONJSA-N 1 2 332.364 2.012 20 5 EEBDLO CCCc1noc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000345671519 161321203 /nfs/dbraw/zinc/32/12/03/161321203.db2.gz QRNOPSZCMQCKGC-LLVKDONJSA-N 1 2 332.364 2.012 20 5 EEBDLO Cn1nc([N+](=O)[O-])cc1C(=O)N(Cc1[nH]cc[nH+]1)c1cccc(F)c1 ZINC000360748498 164373775 /nfs/dbraw/zinc/37/37/75/164373775.db2.gz WOTCGELRLHVAOH-UHFFFAOYSA-N 1 2 344.306 2.038 20 5 EEBDLO Cn1ccnc1[C@H]([NH2+]CCOCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000272548438 268991015 /nfs/dbraw/zinc/99/10/15/268991015.db2.gz QQHCQMIGQXOAND-MRXNPFEDSA-N 1 2 330.388 2.434 20 5 EEBDLO O=C1CCN(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000278843613 269245681 /nfs/dbraw/zinc/24/56/81/269245681.db2.gz ZZFCEWKRXFTSJQ-UHFFFAOYSA-N 1 2 331.294 2.326 20 5 EEBDLO COc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000279686228 269300647 /nfs/dbraw/zinc/30/06/47/269300647.db2.gz FSVINEVMUNOBQD-CYBMUJFWSA-N 1 2 336.388 2.373 20 5 EEBDLO COc1ccc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000279686228 269300648 /nfs/dbraw/zinc/30/06/48/269300648.db2.gz FSVINEVMUNOBQD-CYBMUJFWSA-N 1 2 336.388 2.373 20 5 EEBDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000272794224 274182724 /nfs/dbraw/zinc/18/27/24/274182724.db2.gz YHIIXGRBXFASSX-UHFFFAOYSA-N 1 2 344.371 2.032 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)c([N+](=O)[O-])c1 ZINC000366747893 275035367 /nfs/dbraw/zinc/03/53/67/275035367.db2.gz WEMIOBTTXIADBA-UHFFFAOYSA-N 1 2 332.320 2.001 20 5 EEBDLO COCc1nc(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])cs1 ZINC000289724981 275142943 /nfs/dbraw/zinc/14/29/43/275142943.db2.gz GHBXARKVWPJAGS-UHFFFAOYSA-N 1 2 339.373 2.202 20 5 EEBDLO NC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293207145 293151248 /nfs/dbraw/zinc/15/12/48/293151248.db2.gz UQUKXHZDXDOHRD-UHFFFAOYSA-N 1 2 346.309 2.200 20 5 EEBDLO NC(=O)N1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000293207145 293151250 /nfs/dbraw/zinc/15/12/50/293151250.db2.gz UQUKXHZDXDOHRD-UHFFFAOYSA-N 1 2 346.309 2.200 20 5 EEBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@@H+](C2CCC2)C1 ZINC000293775711 293291952 /nfs/dbraw/zinc/29/19/52/293291952.db2.gz VQAQMRROVUVOIE-LBPRGKRZSA-N 1 2 333.388 2.247 20 5 EEBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC[N@H+](C2CCC2)C1 ZINC000293775711 293291953 /nfs/dbraw/zinc/29/19/53/293291953.db2.gz VQAQMRROVUVOIE-LBPRGKRZSA-N 1 2 333.388 2.247 20 5 EEBDLO CC(C)(CCC(=O)N1CC[NH+](CCOc2ccccc2)CC1)[N+](=O)[O-] ZINC000294320400 293423583 /nfs/dbraw/zinc/42/35/83/293423583.db2.gz JWPZOOAQCBUHEF-UHFFFAOYSA-N 1 2 349.431 2.045 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341965004 303018699 /nfs/dbraw/zinc/01/86/99/303018699.db2.gz GVLKFWHCCAMKRB-UHFFFAOYSA-N 1 2 330.388 2.103 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341965004 303018703 /nfs/dbraw/zinc/01/87/03/303018703.db2.gz GVLKFWHCCAMKRB-UHFFFAOYSA-N 1 2 330.388 2.103 20 5 EEBDLO Cc1nn(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000160544857 311355694 /nfs/dbraw/zinc/35/56/94/311355694.db2.gz MZRPYYYKUGCDRU-UHFFFAOYSA-N 1 2 341.412 2.164 20 5 EEBDLO Cc1nn(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000160544857 311355695 /nfs/dbraw/zinc/35/56/95/311355695.db2.gz MZRPYYYKUGCDRU-UHFFFAOYSA-N 1 2 341.412 2.164 20 5 EEBDLO CC(C)c1nc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000413340813 312850179 /nfs/dbraw/zinc/85/01/79/312850179.db2.gz WKWLJSGPSHQVND-UHFFFAOYSA-N 1 2 328.376 2.230 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000421758183 314156680 /nfs/dbraw/zinc/15/66/80/314156680.db2.gz QMDTZPNEOSDORE-UHFFFAOYSA-N 1 2 335.404 2.052 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000421758183 314156684 /nfs/dbraw/zinc/15/66/84/314156684.db2.gz QMDTZPNEOSDORE-UHFFFAOYSA-N 1 2 335.404 2.052 20 5 EEBDLO COc1cc[nH+]cc1CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000432248744 314689653 /nfs/dbraw/zinc/68/96/53/314689653.db2.gz ZEHCCCFCPMZJQN-UHFFFAOYSA-N 1 2 330.344 2.340 20 5 EEBDLO C[NH+](C)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1F ZINC000436956681 315015932 /nfs/dbraw/zinc/01/59/32/315015932.db2.gz OLPUJKGDCINATD-UHFFFAOYSA-N 1 2 347.346 2.431 20 5 EEBDLO Cc1ccn2cc(CNc3cccc(C(N)=O)c3[N+](=O)[O-])[nH+]c2c1 ZINC000439104900 315067977 /nfs/dbraw/zinc/06/79/77/315067977.db2.gz CFGMUBQZQAPBDE-UHFFFAOYSA-N 1 2 325.328 2.262 20 5 EEBDLO O=C(NCCCCn1cc[nH+]c1)NCCc1cccc([N+](=O)[O-])c1 ZINC000534613377 317948934 /nfs/dbraw/zinc/94/89/34/317948934.db2.gz SAGCCAMBQNEBRN-UHFFFAOYSA-N 1 2 331.376 2.113 20 5 EEBDLO Cc1cc(NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(C)c[nH+]1 ZINC000536618453 318005148 /nfs/dbraw/zinc/00/51/48/318005148.db2.gz PZYKGFUZWLDIRL-UHFFFAOYSA-N 1 2 329.360 2.262 20 5 EEBDLO C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000544847435 318198745 /nfs/dbraw/zinc/19/87/45/318198745.db2.gz YPPKIIJFMHWGMX-XJKSGUPXSA-N 1 2 343.387 2.086 20 5 EEBDLO C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000544847435 318198747 /nfs/dbraw/zinc/19/87/47/318198747.db2.gz YPPKIIJFMHWGMX-XJKSGUPXSA-N 1 2 343.387 2.086 20 5 EEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000547324397 318279128 /nfs/dbraw/zinc/27/91/28/318279128.db2.gz XLQIFPWGUZSLFZ-CQSZACIVSA-N 1 2 328.372 2.444 20 5 EEBDLO COC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000578962011 323741826 /nfs/dbraw/zinc/74/18/26/323741826.db2.gz VNQIBWQXVQVJTO-CYBMUJFWSA-N 1 2 332.360 2.181 20 5 EEBDLO COc1cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc([N+](=O)[O-])c1C ZINC000276513944 464962378 /nfs/dbraw/zinc/96/23/78/464962378.db2.gz CXFFQPBBSPIHKR-UHFFFAOYSA-N 1 2 344.371 2.303 20 5 EEBDLO Cc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)on1 ZINC000061623825 462593492 /nfs/dbraw/zinc/59/34/92/462593492.db2.gz ZRWWHYFFWCERGH-UHFFFAOYSA-N 1 2 327.300 2.007 20 5 EEBDLO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000007437309 462736740 /nfs/dbraw/zinc/73/67/40/462736740.db2.gz KMCRNZQVZSCSEE-CYBMUJFWSA-N 1 2 349.387 2.117 20 5 EEBDLO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000007437309 462736742 /nfs/dbraw/zinc/73/67/42/462736742.db2.gz KMCRNZQVZSCSEE-CYBMUJFWSA-N 1 2 349.387 2.117 20 5 EEBDLO COc1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000131422207 462809180 /nfs/dbraw/zinc/80/91/80/462809180.db2.gz CLTUECKJJYHYBD-UHFFFAOYSA-N 1 2 344.371 2.447 20 5 EEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120176430 462970111 /nfs/dbraw/zinc/97/01/11/462970111.db2.gz XLGGPVWMGGANPO-AWEZNQCLSA-N 1 2 329.360 2.484 20 5 EEBDLO CCOC(=O)c1ccnc(NCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000077905043 463070232 /nfs/dbraw/zinc/07/02/32/463070232.db2.gz OBUGPFMDHKFJFV-UHFFFAOYSA-N 1 2 331.332 2.086 20 5 EEBDLO Cc1noc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054677618 463253160 /nfs/dbraw/zinc/25/31/60/463253160.db2.gz IPNVGTSHCDAYAR-LBPRGKRZSA-N 1 2 345.359 2.104 20 5 EEBDLO Cc1noc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054677618 463253165 /nfs/dbraw/zinc/25/31/65/463253165.db2.gz IPNVGTSHCDAYAR-LBPRGKRZSA-N 1 2 345.359 2.104 20 5 EEBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000096536732 463294231 /nfs/dbraw/zinc/29/42/31/463294231.db2.gz MXWUWALJVSTHKX-FPLPWBNLSA-N 1 2 338.367 2.352 20 5 EEBDLO CCOc1cc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000042513314 463571606 /nfs/dbraw/zinc/57/16/06/463571606.db2.gz GZECIGFASLRARK-NSHDSACASA-N 1 2 348.359 2.017 20 5 EEBDLO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000164275263 463620364 /nfs/dbraw/zinc/62/03/64/463620364.db2.gz QQFSDNYYEYAQLO-UHFFFAOYSA-N 1 2 345.355 2.493 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194726675 463917707 /nfs/dbraw/zinc/91/77/07/463917707.db2.gz SMQFDVLBCOGJQL-OKILXGFUSA-N 1 2 335.404 2.084 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194726675 463917710 /nfs/dbraw/zinc/91/77/10/463917710.db2.gz SMQFDVLBCOGJQL-OKILXGFUSA-N 1 2 335.404 2.084 20 5 EEBDLO CC(C)(C)c1nnc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[nH]1 ZINC000590970668 468388204 /nfs/dbraw/zinc/38/82/04/468388204.db2.gz NMIMCPYPSBZSIK-UHFFFAOYSA-N 1 2 347.375 2.071 20 5 EEBDLO C[NH+](C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1Cl ZINC000179165183 464072648 /nfs/dbraw/zinc/07/26/48/464072648.db2.gz KBKLLRVGAPIZCQ-LLVKDONJSA-N 1 2 337.767 2.004 20 5 EEBDLO Cn1c[nH+]cc1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000290949368 464138860 /nfs/dbraw/zinc/13/88/60/464138860.db2.gz AYVHOGZZSRSCNE-UHFFFAOYSA-N 1 2 338.751 2.067 20 5 EEBDLO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000279980945 464179665 /nfs/dbraw/zinc/17/96/65/464179665.db2.gz ZNPBJOBNKPHZOV-DCGLDWPTSA-N 1 2 336.388 2.372 20 5 EEBDLO COc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000279980945 464179671 /nfs/dbraw/zinc/17/96/71/464179671.db2.gz ZNPBJOBNKPHZOV-DCGLDWPTSA-N 1 2 336.388 2.372 20 5 EEBDLO Cc1ccc(C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)cc1[N+](=O)[O-] ZINC000173076663 464188867 /nfs/dbraw/zinc/18/88/67/464188867.db2.gz HCDAOQMSZMBHCR-LBPRGKRZSA-N 1 2 348.428 2.152 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000281593109 464516386 /nfs/dbraw/zinc/51/63/86/464516386.db2.gz FDLJWCRCYXHAIT-GOSISDBHSA-N 1 2 344.367 2.363 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000175293397 464521689 /nfs/dbraw/zinc/52/16/89/464521689.db2.gz SYJWMVFULUHKHA-UHFFFAOYSA-N 1 2 345.403 2.049 20 5 EEBDLO COc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])cc1F ZINC000294904612 464643427 /nfs/dbraw/zinc/64/34/27/464643427.db2.gz JLTHIHUVDRAUQN-SNVBAGLBSA-N 1 2 336.323 2.005 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c(F)c1 ZINC000285663362 464648350 /nfs/dbraw/zinc/64/83/50/464648350.db2.gz PGZASEYBTFKGIH-NSHDSACASA-N 1 2 337.330 2.377 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c(F)c1 ZINC000285663362 464648354 /nfs/dbraw/zinc/64/83/54/464648354.db2.gz PGZASEYBTFKGIH-NSHDSACASA-N 1 2 337.330 2.377 20 5 EEBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276266133 464869828 /nfs/dbraw/zinc/86/98/28/464869828.db2.gz BXZGDVOPRCEMOJ-NSHDSACASA-N 1 2 328.365 2.214 20 5 EEBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276266133 464869829 /nfs/dbraw/zinc/86/98/29/464869829.db2.gz BXZGDVOPRCEMOJ-NSHDSACASA-N 1 2 328.365 2.214 20 5 EEBDLO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000276372575 464906794 /nfs/dbraw/zinc/90/67/94/464906794.db2.gz SNMXURSXYBAOER-ZYHUDNBSSA-N 1 2 336.373 2.040 20 5 EEBDLO CCOC(=O)c1cc(C(=O)N[C@@H](CC)c2[nH]cc[nH+]2)cc([N+](=O)[O-])c1 ZINC000347939995 465323055 /nfs/dbraw/zinc/32/30/55/465323055.db2.gz BLTMEYQWTUAWOQ-ZDUSSCGKSA-N 1 2 346.343 2.376 20 5 EEBDLO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000343035152 465468341 /nfs/dbraw/zinc/46/83/41/465468341.db2.gz RXHJSAMSZQTSFA-SECBINFHSA-N 1 2 334.203 2.404 20 5 EEBDLO C[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000343035152 465468346 /nfs/dbraw/zinc/46/83/46/465468346.db2.gz RXHJSAMSZQTSFA-SECBINFHSA-N 1 2 334.203 2.404 20 5 EEBDLO C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000352356642 465519793 /nfs/dbraw/zinc/51/97/93/465519793.db2.gz MXKWONRBTRZMFW-CHWSQXEVSA-N 1 2 330.388 2.664 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000356831403 465562343 /nfs/dbraw/zinc/56/23/43/465562343.db2.gz XIPABEMQILIXPQ-UHFFFAOYSA-N 1 2 338.371 2.494 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000356831403 465562352 /nfs/dbraw/zinc/56/23/52/465562352.db2.gz XIPABEMQILIXPQ-UHFFFAOYSA-N 1 2 338.371 2.494 20 5 EEBDLO CCN1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000348364804 465569171 /nfs/dbraw/zinc/56/91/71/465569171.db2.gz GKEMACMRSUXXOX-HNNXBMFYSA-N 1 2 333.367 2.336 20 5 EEBDLO Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000338285501 465983198 /nfs/dbraw/zinc/98/31/98/465983198.db2.gz NEAAUNFRFBIQIT-KOLCDFICSA-N 1 2 334.405 2.397 20 5 EEBDLO Cc1nnc([C@@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000338285501 465983202 /nfs/dbraw/zinc/98/32/02/465983202.db2.gz NEAAUNFRFBIQIT-KOLCDFICSA-N 1 2 334.405 2.397 20 5 EEBDLO COc1cc[nH+]cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353842682 466192437 /nfs/dbraw/zinc/19/24/37/466192437.db2.gz NBTULBBGNLNKME-UHFFFAOYSA-N 1 2 339.311 2.436 20 5 EEBDLO Cc1c(Br)c(NCC[N@H+]2CC=CCC2)ncc1[N+](=O)[O-] ZINC000357659774 466207755 /nfs/dbraw/zinc/20/77/55/466207755.db2.gz KEYRHGSGLUUINE-UHFFFAOYSA-N 1 2 341.209 2.735 20 5 EEBDLO Cc1c(Br)c(NCC[N@@H+]2CC=CCC2)ncc1[N+](=O)[O-] ZINC000357659774 466207759 /nfs/dbraw/zinc/20/77/59/466207759.db2.gz KEYRHGSGLUUINE-UHFFFAOYSA-N 1 2 341.209 2.735 20 5 EEBDLO Cn1c[nH+]cc1CNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000357932201 466328416 /nfs/dbraw/zinc/32/84/16/466328416.db2.gz HXVTUUXNTXLSJI-UHFFFAOYSA-N 1 2 337.767 2.024 20 5 EEBDLO C[C@@H](C(=O)NCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC000350102005 466385764 /nfs/dbraw/zinc/38/57/64/466385764.db2.gz HLJXUWRZEMCDFF-LLVKDONJSA-N 1 2 332.335 2.461 20 5 EEBDLO CC[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[N@@H+]1CCO[C@@H](CC)C1 ZINC000332240253 466463283 /nfs/dbraw/zinc/46/32/83/466463283.db2.gz ISKOIADDNFYINL-HOTGVXAUSA-N 1 2 347.415 2.373 20 5 EEBDLO CC[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[N@H+]1CCO[C@@H](CC)C1 ZINC000332240253 466463289 /nfs/dbraw/zinc/46/32/89/466463289.db2.gz ISKOIADDNFYINL-HOTGVXAUSA-N 1 2 347.415 2.373 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000373070940 466682605 /nfs/dbraw/zinc/68/26/05/466682605.db2.gz QDTGTNHXOIWFJL-GFCCVEGCSA-N 1 2 344.371 2.357 20 5 EEBDLO Cn1ncc2c1CCC[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000411847483 466916786 /nfs/dbraw/zinc/91/67/86/466916786.db2.gz RBOFQDIKTLOBBQ-UHFFFAOYSA-N 1 2 327.344 2.418 20 5 EEBDLO Cn1ncc2c1CCC[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000411847483 466916789 /nfs/dbraw/zinc/91/67/89/466916789.db2.gz RBOFQDIKTLOBBQ-UHFFFAOYSA-N 1 2 327.344 2.418 20 5 EEBDLO C[C@H](O)CNc1cc(NCCCCc2ccc([N+](=O)[O-])cc2)[nH+]cn1 ZINC000413156694 467180078 /nfs/dbraw/zinc/18/00/78/467180078.db2.gz SESTYRZZTORLDE-ZDUSSCGKSA-N 1 2 345.403 2.612 20 5 EEBDLO C[C@H](O)CNc1cc(NCCCCc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000413156694 467180080 /nfs/dbraw/zinc/18/00/80/467180080.db2.gz SESTYRZZTORLDE-ZDUSSCGKSA-N 1 2 345.403 2.612 20 5 EEBDLO COc1cc(C[NH+]2CCC(O)(C(F)F)CC2)c([N+](=O)[O-])cc1OC ZINC000428456776 467235473 /nfs/dbraw/zinc/23/54/73/467235473.db2.gz LNJVJCMUHBBGOS-UHFFFAOYSA-N 1 2 346.330 2.204 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000378265843 467246939 /nfs/dbraw/zinc/24/69/39/467246939.db2.gz HIKOXDVYBXKSPR-BTKRWWFXSA-N 1 2 326.356 2.358 20 5 EEBDLO CCC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OC ZINC000452290459 467344524 /nfs/dbraw/zinc/34/45/24/467344524.db2.gz HECLLRCOIWAKEL-CYBMUJFWSA-N 1 2 332.360 2.325 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000430234700 467411212 /nfs/dbraw/zinc/41/12/12/467411212.db2.gz BLNOEEHXTSPXAL-AWEZNQCLSA-N 1 2 342.417 2.003 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000430234700 467411216 /nfs/dbraw/zinc/41/12/16/467411216.db2.gz BLNOEEHXTSPXAL-AWEZNQCLSA-N 1 2 342.417 2.003 20 5 EEBDLO O=C(NCc1c[nH+]c[nH]1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444082447 467581796 /nfs/dbraw/zinc/58/17/96/467581796.db2.gz GVWRJZDKZAMKFE-UHFFFAOYSA-N 1 2 336.326 2.474 20 5 EEBDLO O=C(NCc1c[nH]c[nH+]1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444082447 467581798 /nfs/dbraw/zinc/58/17/98/467581798.db2.gz GVWRJZDKZAMKFE-UHFFFAOYSA-N 1 2 336.326 2.474 20 5 EEBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)CO1 ZINC000448670327 467599343 /nfs/dbraw/zinc/59/93/43/467599343.db2.gz WUBREEUXTXVYCI-RYUDHWBXSA-N 1 2 330.344 2.030 20 5 EEBDLO CO[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1(C)C ZINC000450073401 467771664 /nfs/dbraw/zinc/77/16/64/467771664.db2.gz KNGCKYFIJQIEIA-LSDHHAIUSA-N 1 2 344.371 2.324 20 5 EEBDLO COC(=O)Cc1ccc(NC[C@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000450261300 467811630 /nfs/dbraw/zinc/81/16/30/467811630.db2.gz NLECXSIKTXNFCX-LBPRGKRZSA-N 1 2 332.360 2.255 20 5 EEBDLO CCC[C@@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450686524 467891719 /nfs/dbraw/zinc/89/17/19/467891719.db2.gz NAPUDCKOYHRVIE-INIZCTEOSA-N 1 2 332.360 2.061 20 5 EEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000556551949 468532947 /nfs/dbraw/zinc/53/29/47/468532947.db2.gz OYWFCDQUDXQWSY-GFCCVEGCSA-N 1 2 347.375 2.250 20 5 EEBDLO COCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000594608588 468634181 /nfs/dbraw/zinc/63/41/81/468634181.db2.gz FBXWURBOIDKBST-ZDUSSCGKSA-N 1 2 336.310 2.275 20 5 EEBDLO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000594608588 468634185 /nfs/dbraw/zinc/63/41/85/468634185.db2.gz FBXWURBOIDKBST-ZDUSSCGKSA-N 1 2 336.310 2.275 20 5 EEBDLO O=[N+]([O-])c1cc(Cl)ccc1-n1cc(C[NH+]2CCSCC2)nn1 ZINC000594651656 468643581 /nfs/dbraw/zinc/64/35/81/468643581.db2.gz FJQVJFWBIZGREK-UHFFFAOYSA-N 1 2 339.808 2.378 20 5 EEBDLO CC[N@H+](CCSC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592204710 468654040 /nfs/dbraw/zinc/65/40/40/468654040.db2.gz VGLYDOALSWTCDG-UHFFFAOYSA-N 1 2 332.447 2.053 20 5 EEBDLO CC[N@@H+](CCSC)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592204710 468654044 /nfs/dbraw/zinc/65/40/44/468654044.db2.gz VGLYDOALSWTCDG-UHFFFAOYSA-N 1 2 332.447 2.053 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000597847318 468691880 /nfs/dbraw/zinc/69/18/80/468691880.db2.gz PTWKKFUVJREYBP-CQSZACIVSA-N 1 2 346.387 2.126 20 5 EEBDLO Nc1c(C(=O)NCc2ccc[nH+]c2N2CCCC2)cccc1[N+](=O)[O-] ZINC000597940324 468718235 /nfs/dbraw/zinc/71/82/35/468718235.db2.gz INPBKTCYMDGAAI-UHFFFAOYSA-N 1 2 341.371 2.102 20 5 EEBDLO C[C@@H]1COCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610948445 469119548 /nfs/dbraw/zinc/11/95/48/469119548.db2.gz FQFJOEBTZVFVTK-GFCCVEGCSA-N 1 2 330.344 2.032 20 5 EEBDLO C[C@@H]1C[NH+](C(C)(C)CNc2c(Cl)cncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000589104502 469194592 /nfs/dbraw/zinc/19/45/92/469194592.db2.gz MJUOXCMEQXGCRQ-GHMZBOCLSA-N 1 2 342.827 2.365 20 5 EEBDLO COc1ccc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1[N+](=O)[O-] ZINC000611463204 469254458 /nfs/dbraw/zinc/25/44/58/469254458.db2.gz YTTKDMCHZYRFOD-UHFFFAOYSA-N 1 2 347.415 2.436 20 5 EEBDLO COc1ccc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1[N+](=O)[O-] ZINC000611463204 469254463 /nfs/dbraw/zinc/25/44/63/469254463.db2.gz YTTKDMCHZYRFOD-UHFFFAOYSA-N 1 2 347.415 2.436 20 5 EEBDLO C[C@@H]1C[N@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596429298 469263977 /nfs/dbraw/zinc/26/39/77/469263977.db2.gz JBRMFILXRQCCTL-CHWSQXEVSA-N 1 2 330.388 2.664 20 5 EEBDLO C[C@@H]1C[N@@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000596429298 469263983 /nfs/dbraw/zinc/26/39/83/469263983.db2.gz JBRMFILXRQCCTL-CHWSQXEVSA-N 1 2 330.388 2.664 20 5 EEBDLO Cc1c(C[NH+]2CCN(C(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000603839945 469435253 /nfs/dbraw/zinc/43/52/53/469435253.db2.gz HWHBCAOQVRCUIT-UHFFFAOYSA-N 1 2 332.404 2.237 20 5 EEBDLO C[C@@]1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCOC1 ZINC000619153847 469538642 /nfs/dbraw/zinc/53/86/42/469538642.db2.gz TWKGALUBNMJZEY-KRWDZBQOSA-N 1 2 335.404 2.266 20 5 EEBDLO Cc1cccn2cc(CC(=O)NCCc3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000608783500 469877928 /nfs/dbraw/zinc/87/79/28/469877928.db2.gz NYICSWRQVFZQCU-UHFFFAOYSA-N 1 2 338.367 2.452 20 5 EEBDLO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc21)N1CC(Oc2cc[nH+]cc2)C1 ZINC000609569318 469941842 /nfs/dbraw/zinc/94/18/42/469941842.db2.gz SVDWCGIIQACTJN-UHFFFAOYSA-N 1 2 338.323 2.375 20 5 EEBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776597959 577464047 /nfs/dbraw/zinc/46/40/47/577464047.db2.gz MNJXNIFSLGQDMR-HZPDHXFCSA-N 1 2 346.387 2.042 20 5 EEBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776597959 577464048 /nfs/dbraw/zinc/46/40/48/577464048.db2.gz MNJXNIFSLGQDMR-HZPDHXFCSA-N 1 2 346.387 2.042 20 5 EEBDLO C[C@@H]1COCC[N@@H+]1CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000765489890 577501844 /nfs/dbraw/zinc/50/18/44/577501844.db2.gz NXNOPIMYNPYHNE-SNVBAGLBSA-N 1 2 344.209 2.490 20 5 EEBDLO C[C@@H]1COCC[N@H+]1CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000765489890 577501845 /nfs/dbraw/zinc/50/18/45/577501845.db2.gz NXNOPIMYNPYHNE-SNVBAGLBSA-N 1 2 344.209 2.490 20 5 EEBDLO Cc1ccc2[nH+]c(COC(=O)c3cccc([N+](=O)[O-])c3N)cn2c1 ZINC000758953303 577634155 /nfs/dbraw/zinc/63/41/55/577634155.db2.gz GKMHUMZZIDIZKV-UHFFFAOYSA-N 1 2 326.312 2.490 20 5 EEBDLO CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000745081631 577908049 /nfs/dbraw/zinc/90/80/49/577908049.db2.gz AJGXIYBFTQHUHV-HNNXBMFYSA-N 1 2 349.387 2.259 20 5 EEBDLO CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000745081631 577908050 /nfs/dbraw/zinc/90/80/50/577908050.db2.gz AJGXIYBFTQHUHV-HNNXBMFYSA-N 1 2 349.387 2.259 20 5 EEBDLO Cc1c(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000748713112 577965960 /nfs/dbraw/zinc/96/59/60/577965960.db2.gz NZDCUZFEQAKQLM-SECBINFHSA-N 1 2 347.331 2.135 20 5 EEBDLO Cc1c(CNc2cnn(CC[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000873097023 1198499495 /nfs/dbraw/zinc/49/94/95/1198499495.db2.gz DHXXHTDUSOMNQL-UHFFFAOYSA-N 1 2 345.403 2.044 20 5 EEBDLO 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EEBDLO COc1ccccc1OCC[N@@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000124259136 685573682 /nfs/dbraw/zinc/57/36/82/685573682.db2.gz HFTRQFILKMSBBC-UHFFFAOYSA-N 1 2 334.376 2.385 20 5 EEBDLO COc1c(C)c[nH+]c(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c1C ZINC000104150320 686665031 /nfs/dbraw/zinc/66/50/31/686665031.db2.gz HGUBXLXCXSSODG-UHFFFAOYSA-N 1 2 344.371 2.436 20 5 EEBDLO CC[C@H]1COCC[N@@H+]1CCNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000872771331 1198376678 /nfs/dbraw/zinc/37/66/78/1198376678.db2.gz GNCWYTDIESKWGA-LBPRGKRZSA-N 1 2 339.392 2.135 20 5 EEBDLO CC[C@H]1COCC[N@H+]1CCNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000872771331 1198376685 /nfs/dbraw/zinc/37/66/85/1198376685.db2.gz GNCWYTDIESKWGA-LBPRGKRZSA-N 1 2 339.392 2.135 20 5 EEBDLO O=[N+]([O-])c1cnc(NCC2([NH+]3CCOCC3)CC2)c2ccccc21 ZINC000884486918 1202327054 /nfs/dbraw/zinc/32/70/54/1202327054.db2.gz INNAYYMLNJESRA-UHFFFAOYSA-N 1 2 328.372 2.420 20 5 EEBDLO Cc1c(NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000929222387 1206457412 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JUNUYRPGVFGJRU-MNOVXSKESA-N 1 2 341.795 2.087 20 5 EEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000855410510 1293205115 /nfs/dbraw/zinc/20/51/15/1293205115.db2.gz JUNUYRPGVFGJRU-MNOVXSKESA-N 1 2 341.795 2.087 20 5 EEBDLO CC(=O)c1ccc(N2CCC([NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000858631057 1294175137 /nfs/dbraw/zinc/17/51/37/1294175137.db2.gz UCLJODXICWQINZ-UHFFFAOYSA-N 1 2 333.388 2.098 20 5 EEBDLO O=[N+]([O-])c1cc2c(cc1Cl)ncnc2O[C@H]1C[NH2+]CC1(F)F ZINC001218234322 1297609027 /nfs/dbraw/zinc/60/90/27/1297609027.db2.gz UBPFWQBIHSEPNE-JTQLQIEISA-N 1 2 330.678 2.177 20 5 EEBDLO COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O[C@H]1C[NH2+]CC1(F)F ZINC001218235594 1297611093 /nfs/dbraw/zinc/61/10/93/1297611093.db2.gz MKOHLLDOVLTLPR-VIFPVBQESA-N 1 2 336.678 2.021 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CC[NH2+]C[C@H]4C)c3nc2cc1C ZINC001218415334 1297657985 /nfs/dbraw/zinc/65/79/85/1297657985.db2.gz OCIJXQKYXGBEMF-BXUZGUMPSA-N 1 2 339.399 2.272 20 5 EEBDLO C[N@H+]1CCO[C@@H](COc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001225609025 1301089058 /nfs/dbraw/zinc/08/90/58/1301089058.db2.gz HLBZQXVPYVXBTJ-SECBINFHSA-N 1 2 331.166 2.067 20 5 EEBDLO C[N@@H+]1CCO[C@H](COc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001225609027 1301088088 /nfs/dbraw/zinc/08/80/88/1301088088.db2.gz HLBZQXVPYVXBTJ-VIFPVBQESA-N 1 2 331.166 2.067 20 5 EEBDLO C[N@H+]1CCO[C@H](COc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001225609027 1301088101 /nfs/dbraw/zinc/08/81/01/1301088101.db2.gz HLBZQXVPYVXBTJ-VIFPVBQESA-N 1 2 331.166 2.067 20 5 EEBDLO C[N@@H+]1CCO[C@@H](COc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001225609025 1301089050 /nfs/dbraw/zinc/08/90/50/1301089050.db2.gz HLBZQXVPYVXBTJ-SECBINFHSA-N 1 2 331.166 2.067 20 5 EEBDLO C[N@@H+]1CCO[C@H](COc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228942141 1302534146 /nfs/dbraw/zinc/53/41/46/1302534146.db2.gz QGDSFAYAMOSVHJ-QMMMGPOBSA-N 1 2 349.156 2.206 20 5 EEBDLO C[N@H+]1CCO[C@H](COc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228942141 1302534164 /nfs/dbraw/zinc/53/41/64/1302534164.db2.gz QGDSFAYAMOSVHJ-QMMMGPOBSA-N 1 2 349.156 2.206 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NC2(CNC(=O)Cc3c[nH]c[nH+]3)CCC2)c1 ZINC001111911010 1304076085 /nfs/dbraw/zinc/07/60/85/1304076085.db2.gz SGABVDSQJDICLA-UHFFFAOYSA-N 1 2 343.387 2.320 20 5 EEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)OCCc1cn2c([nH+]1)CCCC2 ZINC001122945773 1310430640 /nfs/dbraw/zinc/43/06/40/1310430640.db2.gz MUBHHLMWJCYZNQ-UHFFFAOYSA-N 1 2 329.356 2.456 20 5 EEBDLO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccsn1 ZINC000835458908 1314921290 /nfs/dbraw/zinc/92/12/90/1314921290.db2.gz VZCIYXRQSZTJFN-ZDUSSCGKSA-N 1 2 333.369 2.483 20 5 EEBDLO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccsn1 ZINC000835458908 1314921291 /nfs/dbraw/zinc/92/12/91/1314921291.db2.gz VZCIYXRQSZTJFN-ZDUSSCGKSA-N 1 2 333.369 2.483 20 5 EEBDLO C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839670451 1315229484 /nfs/dbraw/zinc/22/94/84/1315229484.db2.gz UOOFSHKRJBOBOD-MNOVXSKESA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@@H]1[C@H](CO)CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839670451 1315229489 /nfs/dbraw/zinc/22/94/89/1315229489.db2.gz UOOFSHKRJBOBOD-MNOVXSKESA-N 1 2 341.795 2.280 20 5 EEBDLO O=[N+]([O-])c1ccc(C(F)(F)N2CC[NH2+]CC(F)(F)C2)nc1Cl ZINC001164488522 1321394094 /nfs/dbraw/zinc/39/40/94/1321394094.db2.gz GDJNEXMTCSXQBT-UHFFFAOYSA-N 1 2 342.680 2.233 20 5 EEBDLO Nc1nc(NCc2c(Cl)cccc2-n2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC001307126838 1331510391 /nfs/dbraw/zinc/51/03/91/1331510391.db2.gz JXHIGHKTBMUUAZ-UHFFFAOYSA-N 1 2 345.750 2.418 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001308111615 1331565908 /nfs/dbraw/zinc/56/59/08/1331565908.db2.gz FLMUVCKIDPGEMZ-CYBMUJFWSA-N 1 2 341.371 2.121 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001308111615 1331565911 /nfs/dbraw/zinc/56/59/11/1331565911.db2.gz FLMUVCKIDPGEMZ-CYBMUJFWSA-N 1 2 341.371 2.121 20 5 EEBDLO CC(C)([NH2+]Cc1ccc(-c2nn[nH]n2)o1)c1ccccc1[N+](=O)[O-] ZINC001603165543 1350654141 /nfs/dbraw/zinc/65/41/41/1350654141.db2.gz VJXSCROTXGJLGB-UHFFFAOYSA-N 1 2 328.332 2.393 20 5 EEBDLO O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091495394 790979734 /nfs/dbraw/zinc/97/97/34/790979734.db2.gz CXLNFNNNUQIKIH-HDJSIYSDSA-N 1 2 343.387 2.188 20 5 EEBDLO Cc1cc(NC/C=C/CNC(=O)CCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC001107445785 787259029 /nfs/dbraw/zinc/25/90/29/787259029.db2.gz QNDBFMJSODNCFT-NSCUHMNNSA-N 1 2 343.387 2.274 20 5 EEBDLO C[C@@H](CC(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845279097 789706544 /nfs/dbraw/zinc/70/65/44/789706544.db2.gz LGCITBKAXBHIDR-RYUDHWBXSA-N 1 2 346.343 2.313 20 5 EEBDLO Cc1cc(NCCNC(=O)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC001093714362 795623459 /nfs/dbraw/zinc/62/34/59/795623459.db2.gz FSCJNVXBWWPMDQ-UHFFFAOYSA-N 1 2 331.376 2.108 20 5 EEBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1F)c1cc2c[nH+]ccc2[nH]1 ZINC001094236753 796028947 /nfs/dbraw/zinc/02/89/47/796028947.db2.gz YOLLGRSRPQYHEX-UHFFFAOYSA-N 1 2 343.318 2.452 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CCCn2cc[nH+]c2)c1 ZINC001094470262 796297068 /nfs/dbraw/zinc/29/70/68/796297068.db2.gz UPULSANTLKNKOH-UHFFFAOYSA-N 1 2 345.403 2.498 20 5 EEBDLO CC(C)C[C@H]1C[N@H+](C)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000922027487 798701070 /nfs/dbraw/zinc/70/10/70/798701070.db2.gz YUXRQEFHUVTECH-NSHDSACASA-N 1 2 347.462 2.007 20 5 EEBDLO CC(C)C[C@H]1C[N@@H+](C)CCN1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000922027487 798701071 /nfs/dbraw/zinc/70/10/71/798701071.db2.gz YUXRQEFHUVTECH-NSHDSACASA-N 1 2 347.462 2.007 20 5 EEBDLO CCOC(=O)[C@H](CC)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000787353996 807102929 /nfs/dbraw/zinc/10/29/29/807102929.db2.gz YZZYYHVALHJKLP-JKSUJKDBSA-N 1 2 336.388 2.434 20 5 EEBDLO CCOC(=O)[C@H](CC)[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000787353996 807102933 /nfs/dbraw/zinc/10/29/33/807102933.db2.gz YZZYYHVALHJKLP-JKSUJKDBSA-N 1 2 336.388 2.434 20 5 EEBDLO C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1ccccc1[N+](=O)[O-] ZINC000052589735 214136058 /nfs/dbraw/zinc/13/60/58/214136058.db2.gz UNSICANRADWBMO-IRXDYDNUSA-N 1 2 347.415 2.197 20 5 EEBDLO C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)Cc1ccccc1[N+](=O)[O-] ZINC000052589735 214136059 /nfs/dbraw/zinc/13/60/59/214136059.db2.gz UNSICANRADWBMO-IRXDYDNUSA-N 1 2 347.415 2.197 20 5 EEBDLO Cn1ncc2c1nc[nH+]c2SCCOc1ccc([N+](=O)[O-])cc1 ZINC000067006933 215103276 /nfs/dbraw/zinc/10/32/76/215103276.db2.gz LLWTZDCBVOBNSB-UHFFFAOYSA-N 1 2 331.357 2.443 20 5 EEBDLO Nc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000193407649 240153748 /nfs/dbraw/zinc/15/37/48/240153748.db2.gz WDBHSDDFJDVDOB-UHFFFAOYSA-N 1 2 333.417 2.346 20 5 EEBDLO Nc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000193407649 240153751 /nfs/dbraw/zinc/15/37/51/240153751.db2.gz WDBHSDDFJDVDOB-UHFFFAOYSA-N 1 2 333.417 2.346 20 5 EEBDLO Nc1c(F)c(N2CC[NH+](Cc3cccc(O)c3)CC2)ccc1[N+](=O)[O-] ZINC000266844242 248472719 /nfs/dbraw/zinc/47/27/19/248472719.db2.gz IVYVCEABJQUUJY-UHFFFAOYSA-N 1 2 346.362 2.344 20 5 EEBDLO O=[N+]([O-])c1cnc(NCCCn2cc[nH+]c2)c(Br)c1 ZINC000093433843 218226444 /nfs/dbraw/zinc/22/64/44/218226444.db2.gz TTXZGZNPTQUBDO-UHFFFAOYSA-N 1 2 326.154 2.451 20 5 EEBDLO COCCc1noc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000093587050 218233057 /nfs/dbraw/zinc/23/30/57/218233057.db2.gz AUKPZRKKBPZLEV-FNORWQNLSA-N 1 2 332.360 2.312 20 5 EEBDLO COCCc1noc(C[N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000093587050 218233059 /nfs/dbraw/zinc/23/30/59/218233059.db2.gz AUKPZRKKBPZLEV-FNORWQNLSA-N 1 2 332.360 2.312 20 5 EEBDLO COC(=O)C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000267851887 256091706 /nfs/dbraw/zinc/09/17/06/256091706.db2.gz WOULSAQVMLJGNN-UHFFFAOYSA-N 1 2 345.355 2.430 20 5 EEBDLO COC(=O)C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000267851887 256091707 /nfs/dbraw/zinc/09/17/07/256091707.db2.gz WOULSAQVMLJGNN-UHFFFAOYSA-N 1 2 345.355 2.430 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N2CCN(C3=[NH+]CC(C)(C)S3)CC2)n1 ZINC000268779730 292286870 /nfs/dbraw/zinc/28/68/70/292286870.db2.gz BWFZNPCAKINFEY-UHFFFAOYSA-N 1 2 335.433 2.302 20 5 EEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248966220 160369829 /nfs/dbraw/zinc/36/98/29/160369829.db2.gz BSALJAOSBZBUJB-YNEHKIRRSA-N 1 2 349.387 2.053 20 5 EEBDLO COC(=O)[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248966220 160369830 /nfs/dbraw/zinc/36/98/30/160369830.db2.gz BSALJAOSBZBUJB-YNEHKIRRSA-N 1 2 349.387 2.053 20 5 EEBDLO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C)CS(C)(=O)=O ZINC000255003148 160396544 /nfs/dbraw/zinc/39/65/44/160396544.db2.gz ZRXOQNVWGCZYAB-JWJUJFCLSA-N 1 2 326.418 2.363 20 5 EEBDLO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](C)CS(C)(=O)=O ZINC000255003148 160396546 /nfs/dbraw/zinc/39/65/46/160396546.db2.gz ZRXOQNVWGCZYAB-JWJUJFCLSA-N 1 2 326.418 2.363 20 5 EEBDLO Cc1ncsc1C[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 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CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556500 1201927691 /nfs/dbraw/zinc/92/76/91/1201927691.db2.gz NLRDAGMSTFLGLV-ZIAGYGMSSA-N 1 2 334.420 2.020 20 5 EEBDLO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000133124000 1202171322 /nfs/dbraw/zinc/17/13/22/1202171322.db2.gz TVJWANUKKNFHCZ-CQSZACIVSA-N 1 2 337.424 2.157 20 5 EEBDLO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000133124000 1202171323 /nfs/dbraw/zinc/17/13/23/1202171323.db2.gz TVJWANUKKNFHCZ-CQSZACIVSA-N 1 2 337.424 2.157 20 5 EEBDLO CN(CCCNC(=O)CCCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC001095578485 1205880021 /nfs/dbraw/zinc/88/00/21/1205880021.db2.gz JXKVHYNGJFJRPO-UHFFFAOYSA-N 1 2 345.403 2.214 20 5 EEBDLO CCC1(C(=O)NCC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001096298340 1237200646 /nfs/dbraw/zinc/20/06/46/1237200646.db2.gz ZVQLXZMRFPOXFZ-UHFFFAOYSA-N 1 2 346.431 2.023 20 5 EEBDLO CCCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1cccc(F)c1[N+](=O)[O-] ZINC001101172384 1245479361 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ZINC001307214253 1331517547 /nfs/dbraw/zinc/51/75/47/1331517547.db2.gz WWPDROBYVLAPOP-ZDUSSCGKSA-N 1 2 338.408 2.300 20 5 EEBDLO CCOC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001324216743 1333636994 /nfs/dbraw/zinc/63/69/94/1333636994.db2.gz PNSBJSACJBVZAT-ZDUSSCGKSA-N 1 2 349.387 2.259 20 5 EEBDLO CCOC(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001324216743 1333636997 /nfs/dbraw/zinc/63/69/97/1333636997.db2.gz PNSBJSACJBVZAT-ZDUSSCGKSA-N 1 2 349.387 2.259 20 5 EEBDLO Nc1cc(N2CC[NH+](Cc3cccc(F)c3)CC2)ncc1[N+](=O)[O-] ZINC001337074065 1336640129 /nfs/dbraw/zinc/64/01/29/1336640129.db2.gz TYAPEBCRQLSEMS-UHFFFAOYSA-N 1 2 331.351 2.033 20 5 EEBDLO COc1cc(C(=O)OCCCc2c[nH+]cn2C)c([N+](=O)[O-])cc1F ZINC001344916672 1337414894 /nfs/dbraw/zinc/41/48/94/1337414894.db2.gz JLHMXAXZTCAQQN-UHFFFAOYSA-N 1 2 337.307 2.266 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091359583 790434826 /nfs/dbraw/zinc/43/48/26/790434826.db2.gz HVIVSLAJGMTDPK-BETUJISGSA-N 1 2 343.387 2.176 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](Cc2cccc(Cl)c2)CC1 ZINC000981136891 776581889 /nfs/dbraw/zinc/58/18/89/776581889.db2.gz KSVBYHHCAQQPQJ-HUUCEWRRSA-N 1 2 337.807 2.040 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2cccc(Cl)c2)CC1 ZINC000981136891 776581897 /nfs/dbraw/zinc/58/18/97/776581897.db2.gz KSVBYHHCAQQPQJ-HUUCEWRRSA-N 1 2 337.807 2.040 20 5 EEBDLO Cn1ncc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Cl ZINC000816513968 784088083 /nfs/dbraw/zinc/08/80/83/784088083.db2.gz IMUCNEVBGUKNLD-LLVKDONJSA-N 1 2 336.783 2.063 20 5 EEBDLO Cn1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1Cl ZINC000816513968 784088091 /nfs/dbraw/zinc/08/80/91/784088091.db2.gz IMUCNEVBGUKNLD-LLVKDONJSA-N 1 2 336.783 2.063 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NC/C=C\CNc1ccc([N+](=O)[O-])cc1F ZINC001107285660 786723310 /nfs/dbraw/zinc/72/33/10/786723310.db2.gz PYLMMJVPAVEHRY-IHWYPQMZSA-N 1 2 347.350 2.092 20 5 EEBDLO CC[C@@H]1C[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@@H](CC)CO1 ZINC000844729361 789333006 /nfs/dbraw/zinc/33/30/06/789333006.db2.gz WTJAPXVTWVOTNF-GXTWGEPZSA-N 1 2 333.392 2.495 20 5 EEBDLO CC[C@@H]1C[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])cnc32)[C@@H](CC)CO1 ZINC000844729361 789333015 /nfs/dbraw/zinc/33/30/15/789333015.db2.gz WTJAPXVTWVOTNF-GXTWGEPZSA-N 1 2 333.392 2.495 20 5 EEBDLO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc2[nH+]ccn21 ZINC001093986424 795837297 /nfs/dbraw/zinc/83/72/97/795837297.db2.gz OFBJNLQUQKYIAN-UHFFFAOYSA-N 1 2 325.328 2.084 20 5 EEBDLO Cc1ccnc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000785676247 806538661 /nfs/dbraw/zinc/53/86/61/806538661.db2.gz CXHCSJIYQDCKOR-UHFFFAOYSA-N 1 2 339.311 2.236 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC3(C2)OCCO3)c1F ZINC001173190310 797281997 /nfs/dbraw/zinc/28/19/97/797281997.db2.gz SMOHCMGFKKROSW-LLVKDONJSA-N 1 2 340.351 2.122 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCC3(C2)OCCO3)c1F ZINC001173190310 797282000 /nfs/dbraw/zinc/28/20/00/797282000.db2.gz SMOHCMGFKKROSW-LLVKDONJSA-N 1 2 340.351 2.122 20 5 EEBDLO CCc1nnc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)o1 ZINC000922752052 801804208 /nfs/dbraw/zinc/80/42/08/801804208.db2.gz ZRJUHKJSRXNULV-UHFFFAOYSA-N 1 2 343.299 2.083 20 5 EEBDLO CC(C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000804339765 804078282 /nfs/dbraw/zinc/07/82/82/804078282.db2.gz MGMMXAHWGLLRGZ-AWEZNQCLSA-N 1 2 338.364 2.272 20 5 EEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(n2cc([C@H](C)O)nn2)C1 ZINC000787413271 807106643 /nfs/dbraw/zinc/10/66/43/807106643.db2.gz OAXPNJVGRSEZOG-TZQNSNDFSA-N 1 2 343.387 2.200 20 5 EEBDLO Nc1cc(COC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc[nH+]1 ZINC000791796480 809420976 /nfs/dbraw/zinc/42/09/76/809420976.db2.gz UPGBQGZPLPQWCH-UHFFFAOYSA-N 1 2 339.311 2.115 20 5 EEBDLO CCN1CC[NH+](C[C@H](C)CNc2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000807930729 812389041 /nfs/dbraw/zinc/38/90/41/812389041.db2.gz 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COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC(C)(C)C1 ZINC000177507887 463724242 /nfs/dbraw/zinc/72/42/42/463724242.db2.gz NGNBEWGVGCQURE-UHFFFAOYSA-N 1 2 339.417 2.369 20 5 EEBDLO Cc1c(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000287036695 463779451 /nfs/dbraw/zinc/77/94/51/463779451.db2.gz RVRLYHXTHKAOCL-TZMCWYRMSA-N 1 2 348.403 2.230 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000278045198 463944275 /nfs/dbraw/zinc/94/42/75/463944275.db2.gz MPTOOKGISYENPY-UHFFFAOYSA-N 1 2 348.403 2.198 20 5 EEBDLO CC[N@H+](CC(=O)[O-])C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000186683565 464048560 /nfs/dbraw/zinc/04/85/60/464048560.db2.gz ZSQKXZWFXABHOS-UHFFFAOYSA-N 1 2 335.404 2.274 20 5 EEBDLO CC[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000186683565 464048564 /nfs/dbraw/zinc/04/85/64/464048564.db2.gz ZSQKXZWFXABHOS-UHFFFAOYSA-N 1 2 335.404 2.274 20 5 EEBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1F ZINC000198158189 464084192 /nfs/dbraw/zinc/08/41/92/464084192.db2.gz WBELKNYKIVOUJZ-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000172691840 464130668 /nfs/dbraw/zinc/13/06/68/464130668.db2.gz HEVNSWIBPUTLPM-CYBMUJFWSA-N 1 2 341.433 2.008 20 5 EEBDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000284695176 464298382 /nfs/dbraw/zinc/29/83/82/464298382.db2.gz ZICMIWMPOYRLGH-RDJZCZTQSA-N 1 2 347.415 2.115 20 5 EEBDLO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000284695176 464298388 /nfs/dbraw/zinc/29/83/88/464298388.db2.gz ZICMIWMPOYRLGH-RDJZCZTQSA-N 1 2 347.415 2.115 20 5 EEBDLO CO[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000281945292 464644279 /nfs/dbraw/zinc/64/42/79/464644279.db2.gz UUHQSIJUTCTNTI-GXTWGEPZSA-N 1 2 344.371 2.420 20 5 EEBDLO C[C@@H](NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000265786890 464687558 /nfs/dbraw/zinc/68/75/58/464687558.db2.gz KXGPYSWJSJFBOK-ZIAGYGMSSA-N 1 2 349.431 2.098 20 5 EEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2[nH]c[nH+]c2C1 ZINC000599951729 468420683 /nfs/dbraw/zinc/42/06/83/468420683.db2.gz IITGNJIWYRSNHJ-ZDUSSCGKSA-N 1 2 328.372 2.472 20 5 EEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000599951729 468420688 /nfs/dbraw/zinc/42/06/88/468420688.db2.gz IITGNJIWYRSNHJ-ZDUSSCGKSA-N 1 2 328.372 2.472 20 5 EEBDLO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282383539 464797570 /nfs/dbraw/zinc/79/75/70/464797570.db2.gz CXCVMTQHWMEUOG-GFCCVEGCSA-N 1 2 330.381 2.133 20 5 EEBDLO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000282383539 464797573 /nfs/dbraw/zinc/79/75/73/464797573.db2.gz CXCVMTQHWMEUOG-GFCCVEGCSA-N 1 2 330.381 2.133 20 5 EEBDLO CC(=O)c1ccc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286202414 464837087 /nfs/dbraw/zinc/83/70/87/464837087.db2.gz BVIJVZUZYXYQAZ-DOMZBBRYSA-N 1 2 333.388 2.097 20 5 EEBDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000361107995 465769413 /nfs/dbraw/zinc/76/94/13/465769413.db2.gz BOSGBIYZSPSFLR-DYVFJYSZSA-N 1 2 336.388 2.373 20 5 EEBDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000361107995 465769420 /nfs/dbraw/zinc/76/94/20/465769420.db2.gz BOSGBIYZSPSFLR-DYVFJYSZSA-N 1 2 336.388 2.373 20 5 EEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362595558 465864142 /nfs/dbraw/zinc/86/41/42/465864142.db2.gz DZCJIQYSFINDDJ-HNNXBMFYSA-N 1 2 336.388 2.101 20 5 EEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362595558 465864148 /nfs/dbraw/zinc/86/41/48/465864148.db2.gz DZCJIQYSFINDDJ-HNNXBMFYSA-N 1 2 336.388 2.101 20 5 EEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357909586 466310356 /nfs/dbraw/zinc/31/03/56/466310356.db2.gz UHHHHDCSMVBNDC-JTQLQIEISA-N 1 2 349.778 2.328 20 5 EEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357909586 466310359 /nfs/dbraw/zinc/31/03/59/466310359.db2.gz UHHHHDCSMVBNDC-JTQLQIEISA-N 1 2 349.778 2.328 20 5 EEBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000347332761 466573518 /nfs/dbraw/zinc/57/35/18/466573518.db2.gz OXVGIIJDNBLLHO-UHFFFAOYSA-N 1 2 349.310 2.076 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000372819269 466603326 /nfs/dbraw/zinc/60/33/26/466603326.db2.gz CUEWNNBEEFZYDL-LBPRGKRZSA-N 1 2 344.371 2.416 20 5 EEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000373430033 466801106 /nfs/dbraw/zinc/80/11/06/466801106.db2.gz FLBDZWXBHLSAMZ-GFCCVEGCSA-N 1 2 344.371 2.357 20 5 EEBDLO O=C(C[N@@H+]1CC[C@@H](n2cccn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365831442 466955030 /nfs/dbraw/zinc/95/50/30/466955030.db2.gz OZDTUNRCNGQQPX-GFCCVEGCSA-N 1 2 349.778 2.330 20 5 EEBDLO O=C(C[N@H+]1CC[C@@H](n2cccn2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365831442 466955032 /nfs/dbraw/zinc/95/50/32/466955032.db2.gz OZDTUNRCNGQQPX-GFCCVEGCSA-N 1 2 349.778 2.330 20 5 EEBDLO C[C@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cc3F)c[nH+]2)CCO1 ZINC000413060956 467163679 /nfs/dbraw/zinc/16/36/79/467163679.db2.gz OLCXPSQXGVFNQV-NSHDSACASA-N 1 2 347.350 2.361 20 5 EEBDLO Cc1ccc([C@H](C)NC(=O)N2CCn3c[nH+]cc3C2)cc1[N+](=O)[O-] ZINC000378052456 467186941 /nfs/dbraw/zinc/18/69/41/467186941.db2.gz ICGHSAJUPVEWFE-LBPRGKRZSA-N 1 2 329.360 2.386 20 5 EEBDLO Cn1cc(C[NH+]2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cn1 ZINC000432319247 467230783 /nfs/dbraw/zinc/23/07/83/467230783.db2.gz FEJITOOOUIEQBX-UHFFFAOYSA-N 1 2 335.795 2.304 20 5 EEBDLO CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452840355 467430472 /nfs/dbraw/zinc/43/04/72/467430472.db2.gz GJGNZSHVBPGMKI-DOTOQJQBSA-N 1 2 347.415 2.022 20 5 EEBDLO CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452840355 467430473 /nfs/dbraw/zinc/43/04/73/467430473.db2.gz GJGNZSHVBPGMKI-DOTOQJQBSA-N 1 2 347.415 2.022 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000496754410 467710981 /nfs/dbraw/zinc/71/09/81/467710981.db2.gz DSIMZEOPBWRITC-CQSZACIVSA-N 1 2 337.376 2.266 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000496754410 467710986 /nfs/dbraw/zinc/71/09/86/467710986.db2.gz DSIMZEOPBWRITC-CQSZACIVSA-N 1 2 337.376 2.266 20 5 EEBDLO C[C@H]1COCC[N@@H+]1CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450311846 467823513 /nfs/dbraw/zinc/82/35/13/467823513.db2.gz FQGFBGNNKASJER-LBPRGKRZSA-N 1 2 348.428 2.851 20 5 EEBDLO C[C@H]1COCC[N@H+]1CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450311846 467823517 /nfs/dbraw/zinc/82/35/17/467823517.db2.gz FQGFBGNNKASJER-LBPRGKRZSA-N 1 2 348.428 2.851 20 5 EEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC000570162821 468598836 /nfs/dbraw/zinc/59/88/36/468598836.db2.gz QWZTYJPMIPGLOQ-UHFFFAOYSA-N 1 2 348.384 2.391 20 5 EEBDLO CC(C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1[N+](=O)[O-] ZINC000597687613 468639009 /nfs/dbraw/zinc/63/90/09/468639009.db2.gz GEZQOAPLYLYMKN-GFCCVEGCSA-N 1 2 328.372 2.405 20 5 EEBDLO C[C@H]1C[N@H+](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598001313 468736703 /nfs/dbraw/zinc/73/67/03/468736703.db2.gz ZAIVNDQBSJUECJ-QWRGUYRKSA-N 1 2 341.795 2.087 20 5 EEBDLO C[C@H]1C[N@@H+](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000598001313 468736706 /nfs/dbraw/zinc/73/67/06/468736706.db2.gz ZAIVNDQBSJUECJ-QWRGUYRKSA-N 1 2 341.795 2.087 20 5 EEBDLO CC[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC000593057620 468854998 /nfs/dbraw/zinc/85/49/98/468854998.db2.gz GMWQBZYCXNBBBI-XJKSGUPXSA-N 1 2 335.404 2.447 20 5 EEBDLO CC[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC000593057620 468855005 /nfs/dbraw/zinc/85/50/05/468855005.db2.gz GMWQBZYCXNBBBI-XJKSGUPXSA-N 1 2 335.404 2.447 20 5 EEBDLO Cc1cc(-n2c[nH+]c(CCCO)c2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611132434 469170346 /nfs/dbraw/zinc/17/03/46/469170346.db2.gz AXPJFYNMYHQHNY-UHFFFAOYSA-N 1 2 339.355 2.471 20 5 EEBDLO O=[N+]([O-])c1cncc(Cl)c1NCC1CC[NH+](CC(F)F)CC1 ZINC000596237978 469217526 /nfs/dbraw/zinc/21/75/26/469217526.db2.gz CMRWBTMFMCYBQU-UHFFFAOYSA-N 1 2 334.754 2.454 20 5 EEBDLO C[C@H]1C[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)CO1 ZINC000596432723 469265108 /nfs/dbraw/zinc/26/51/08/469265108.db2.gz SEDCGBGLANYVPD-RYUDHWBXSA-N 1 2 348.403 2.001 20 5 EEBDLO C[C@H]1C[N@@H+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@@H](C)CO1 ZINC000596432723 469265114 /nfs/dbraw/zinc/26/51/14/469265114.db2.gz SEDCGBGLANYVPD-RYUDHWBXSA-N 1 2 348.403 2.001 20 5 EEBDLO O=[N+]([O-])c1ccccc1N1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000596977607 469429236 /nfs/dbraw/zinc/42/92/36/469429236.db2.gz LSNXKFKKBLVASW-UHFFFAOYSA-N 1 2 327.388 2.060 20 5 EEBDLO C[C@@H](C(=O)N1CC(Oc2cc[nH+]cc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000617718527 469768941 /nfs/dbraw/zinc/76/89/41/469768941.db2.gz KNPWOAZOTWHKPU-GFCCVEGCSA-N 1 2 327.340 2.383 20 5 EEBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000729339858 576634556 /nfs/dbraw/zinc/63/45/56/576634556.db2.gz DELSAQJTMMRGHP-HNNXBMFYSA-N 1 2 346.387 2.401 20 5 EEBDLO CC[C@@H](CSC)[N@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000773253611 577327590 /nfs/dbraw/zinc/32/75/90/577327590.db2.gz DEMQRQCBDBLFDS-JTQLQIEISA-N 1 2 337.401 2.222 20 5 EEBDLO CC[C@@H](CSC)[N@@H+](C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000773253611 577327591 /nfs/dbraw/zinc/32/75/91/577327591.db2.gz DEMQRQCBDBLFDS-JTQLQIEISA-N 1 2 337.401 2.222 20 5 EEBDLO Cc1nn(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765083928 577494502 /nfs/dbraw/zinc/49/45/02/577494502.db2.gz VTOXIUZPVMRLDS-IRXDYDNUSA-N 1 2 346.387 2.090 20 5 EEBDLO Cc1nn(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765083928 577494503 /nfs/dbraw/zinc/49/45/03/577494503.db2.gz VTOXIUZPVMRLDS-IRXDYDNUSA-N 1 2 346.387 2.090 20 5 EEBDLO CC(C)(C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1 ZINC000767545100 577539256 /nfs/dbraw/zinc/53/92/56/577539256.db2.gz CUXGDSVLJRDKAM-IYBDPMFKSA-N 1 2 348.399 2.279 20 5 EEBDLO CC(C)(C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])cc1 ZINC000767545100 577539257 /nfs/dbraw/zinc/53/92/57/577539257.db2.gz CUXGDSVLJRDKAM-IYBDPMFKSA-N 1 2 348.399 2.279 20 5 EEBDLO CCC1(O)CC[NH+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000752792132 577776123 /nfs/dbraw/zinc/77/61/23/577776123.db2.gz HXCDXDFSEGGAOR-UHFFFAOYSA-N 1 2 348.403 2.031 20 5 EEBDLO Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000745083884 577908354 /nfs/dbraw/zinc/90/83/54/577908354.db2.gz ZCJPKCCJMCCMIE-IUODEOHRSA-N 1 2 349.387 2.258 20 5 EEBDLO Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000745083884 577908355 /nfs/dbraw/zinc/90/83/55/577908355.db2.gz ZCJPKCCJMCCMIE-IUODEOHRSA-N 1 2 349.387 2.258 20 5 EEBDLO Cc1nn(CN2CC[NH+](Cc3cccc(F)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000178252578 682563807 /nfs/dbraw/zinc/56/38/07/682563807.db2.gz HSEJXZJWNBOYGA-UHFFFAOYSA-N 1 2 347.394 2.323 20 5 EEBDLO Cc1c[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001026145644 683913403 /nfs/dbraw/zinc/91/34/03/683913403.db2.gz HYRPBKYAEZAIOY-NHAGDIPZSA-N 1 2 346.412 2.153 20 5 EEBDLO Cc1c[nH]cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001026145644 683913404 /nfs/dbraw/zinc/91/34/04/683913404.db2.gz HYRPBKYAEZAIOY-NHAGDIPZSA-N 1 2 346.412 2.153 20 5 EEBDLO CCn1c[nH+]c2c1CCN(c1cc(C)c([N+](=O)[O-])cc1C(=O)OC)C2 ZINC000896655134 685157372 /nfs/dbraw/zinc/15/73/72/685157372.db2.gz SYQKLMULQXRKOO-UHFFFAOYSA-N 1 2 344.371 2.469 20 5 EEBDLO COc1ccccc1COC1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000179361247 693141293 /nfs/dbraw/zinc/14/12/93/693141293.db2.gz NXUAIHLZZOSRNS-UHFFFAOYSA-N 1 2 346.387 2.439 20 5 EEBDLO Cc1ccc(N(C)CCN(C)C(=O)CCc2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC001105588532 1188200921 /nfs/dbraw/zinc/20/09/21/1188200921.db2.gz DMGYMLMHAGTAMK-UHFFFAOYSA-N 1 2 345.403 2.154 20 5 EEBDLO Cc1ccc(N(C)CCN(C)C(=O)CCc2c[nH+]c[nH]2)c([N+](=O)[O-])c1 ZINC001105588532 1188200925 /nfs/dbraw/zinc/20/09/25/1188200925.db2.gz DMGYMLMHAGTAMK-UHFFFAOYSA-N 1 2 345.403 2.154 20 5 EEBDLO CN(C(=O)c1cc[nH]n1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001005129510 1194483712 /nfs/dbraw/zinc/48/37/12/1194483712.db2.gz KKKHBNQXFGEMOB-UHFFFAOYSA-N 1 2 349.416 2.116 20 5 EEBDLO CN(C(=O)c1ccn[nH]1)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001005129510 1194483714 /nfs/dbraw/zinc/48/37/14/1194483714.db2.gz KKKHBNQXFGEMOB-UHFFFAOYSA-N 1 2 349.416 2.116 20 5 EEBDLO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877514579 1199952816 /nfs/dbraw/zinc/95/28/16/1199952816.db2.gz NQZXBRPOWBHYJW-MRXNPFEDSA-N 1 2 345.403 2.040 20 5 EEBDLO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877514579 1199952825 /nfs/dbraw/zinc/95/28/25/1199952825.db2.gz NQZXBRPOWBHYJW-MRXNPFEDSA-N 1 2 345.403 2.040 20 5 EEBDLO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000866383730 1201504514 /nfs/dbraw/zinc/50/45/14/1201504514.db2.gz BTTJGQVESXYHJY-SNVBAGLBSA-N 1 2 336.371 2.196 20 5 EEBDLO Cc1cc(N2CC[NH+](CCNC(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC001096283650 1237079227 /nfs/dbraw/zinc/07/92/27/1237079227.db2.gz NNUUJRMCLKLZSQ-UHFFFAOYSA-N 1 2 348.447 2.188 20 5 EEBDLO O=C(Cc1c[nH+]c[nH]1)N1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001057544920 1244200018 /nfs/dbraw/zinc/20/00/18/1244200018.db2.gz JXYOMZPWPBULAI-UHFFFAOYSA-N 1 2 343.387 2.211 20 5 EEBDLO CCOC(=O)c1ccc(O[C@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])c1 ZINC001218007958 1297546218 /nfs/dbraw/zinc/54/62/18/1297546218.db2.gz SRKNOPHEQMYWME-LBPRGKRZSA-N 1 2 330.287 2.148 20 5 EEBDLO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000780762638 1294028972 /nfs/dbraw/zinc/02/89/72/1294028972.db2.gz MQRNRKJCKVXUCG-ZBFHGGJFSA-N 1 2 342.355 2.334 20 5 EEBDLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794637204 1296501013 /nfs/dbraw/zinc/50/10/13/1296501013.db2.gz QNVXUEBVSJTCHR-NWDGAFQWSA-N 1 2 332.360 2.489 20 5 EEBDLO CC[C@@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794637204 1296501027 /nfs/dbraw/zinc/50/10/27/1296501027.db2.gz QNVXUEBVSJTCHR-NWDGAFQWSA-N 1 2 332.360 2.489 20 5 EEBDLO O=[N+]([O-])c1cc(O[C@H]2C[NH2+]CC2(F)F)c(Br)cc1F ZINC001218230617 1297607130 /nfs/dbraw/zinc/60/71/30/1297607130.db2.gz BRDBWILRZWJFGO-VIFPVBQESA-N 1 2 341.083 2.482 20 5 EEBDLO O=[N+]([O-])c1cc(Br)c(F)cc1O[C@@H]1C[NH2+]CC1(F)F ZINC001218234265 1297609592 /nfs/dbraw/zinc/60/95/92/1297609592.db2.gz SKEXXRHZQJUMNY-SECBINFHSA-N 1 2 341.083 2.482 20 5 EEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1c2cc[nH+]cc2C[C@@H]1C ZINC001118849319 1308951985 /nfs/dbraw/zinc/95/19/85/1308951985.db2.gz RLSGPXALONQRKB-JTQLQIEISA-N 1 2 333.369 2.438 20 5 EEBDLO COc1ccc(C[C@H](C)[N@@H+]2CCC(F)(F)[C@@H](N)C2)c([N+](=O)[O-])c1 ZINC001246595553 1310353418 /nfs/dbraw/zinc/35/34/18/1310353418.db2.gz IHYNMFRJFHAREI-HZMBPMFUSA-N 1 2 329.347 2.203 20 5 EEBDLO COc1ccc(C[C@H](C)[N@H+]2CCC(F)(F)[C@@H](N)C2)c([N+](=O)[O-])c1 ZINC001246595553 1310353427 /nfs/dbraw/zinc/35/34/27/1310353427.db2.gz IHYNMFRJFHAREI-HZMBPMFUSA-N 1 2 329.347 2.203 20 5 EEBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CCCc3[nH]c[nH+]c32)n1 ZINC001247276836 1310567461 /nfs/dbraw/zinc/56/74/61/1310567461.db2.gz WEQBAEVZMYEFKR-MRVPVSSYSA-N 1 2 330.279 2.370 20 5 EEBDLO Cn1c[nH+]c(CCNC(=O)c2cccc3nc4ccccc4nc32)c1 ZINC001153869444 1316905319 /nfs/dbraw/zinc/90/53/19/1316905319.db2.gz WFPDVUGSDQCJCW-UHFFFAOYSA-N 1 2 331.379 2.489 20 5 EEBDLO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH+](Cc3ccco3)CC1)C2 ZINC001254598533 1318138401 /nfs/dbraw/zinc/13/84/01/1318138401.db2.gz HLEQGVSRRZVZPX-QGZVFWFLSA-N 1 2 327.384 2.473 20 5 EEBDLO COc1cc(N2CCN(c3cc(Cl)ncc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC001158099190 1319011708 /nfs/dbraw/zinc/01/17/08/1319011708.db2.gz WHLDMDHFADUVSK-UHFFFAOYSA-N 1 2 349.778 2.373 20 5 EEBDLO [NH3+][C@]1(c2nc(-c3ccc4ccc5cccnc5c4n3)no2)CCOC1 ZINC001205227569 1322320497 /nfs/dbraw/zinc/32/04/97/1322320497.db2.gz PEFUFFFVEZSJTK-GOSISDBHSA-N 1 2 333.351 2.407 20 5 EEBDLO Cn1c[nH+]cc1C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001337773760 1336735749 /nfs/dbraw/zinc/73/57/49/1336735749.db2.gz RWCMDDXXDZZQLJ-UHFFFAOYSA-N 1 2 328.372 2.277 20 5 EEBDLO Cc1cn(C(C)(C)C(=O)NCCN(C)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC001100391959 1338339412 /nfs/dbraw/zinc/33/94/12/1338339412.db2.gz MBFGFIKTKNCEKM-UHFFFAOYSA-N 1 2 345.403 2.087 20 5 EEBDLO C[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)C1CC1 ZINC000798659889 1371602339 /nfs/dbraw/zinc/60/23/39/1371602339.db2.gz HVHKKSXBYHOCDE-JTQLQIEISA-N 1 2 329.312 2.305 20 5 EEBDLO Cc1cc(N[C@H]2C[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC001091352068 790349760 /nfs/dbraw/zinc/34/97/60/790349760.db2.gz ISTDNGVCDYLGPO-OTVXOJSOSA-N 1 2 343.387 2.107 20 5 EEBDLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001091362705 790447192 /nfs/dbraw/zinc/44/71/92/790447192.db2.gz AWAYHZZJBYVKJS-PHIMTYICSA-N 1 2 347.350 2.006 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1c2cc[nH+]cc2C[C@@H]1C ZINC000585122512 786529362 /nfs/dbraw/zinc/52/93/62/786529362.db2.gz SSGXUTQRQFBQBX-JTQLQIEISA-N 1 2 349.368 2.138 20 5 EEBDLO Cc1cc(C)c(C(=O)NCCNc2cc(C)c([N+](=O)[O-])cn2)c(C)[nH+]1 ZINC001094292275 796094736 /nfs/dbraw/zinc/09/47/36/796094736.db2.gz SCVAJDUWHBGAKX-UHFFFAOYSA-N 1 2 343.387 2.460 20 5 EEBDLO O=C(CCCn1cc[nH+]c1)NCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094469982 796296542 /nfs/dbraw/zinc/29/65/42/796296542.db2.gz JOMIHSFETNMQOI-UHFFFAOYSA-N 1 2 349.366 2.329 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NCCCNc1cc(C)ccc1[N+](=O)[O-] ZINC001094525062 796358251 /nfs/dbraw/zinc/35/82/51/796358251.db2.gz VXGMJURSCBTFRT-UHFFFAOYSA-N 1 2 331.376 2.096 20 5 EEBDLO Cc1cc(NCCCNC(=O)CCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC001094907191 796984319 /nfs/dbraw/zinc/98/43/19/796984319.db2.gz GLCSMKHTRCKLPQ-UHFFFAOYSA-N 1 2 345.403 2.188 20 5 EEBDLO COC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184681753 235463371 /nfs/dbraw/zinc/46/33/71/235463371.db2.gz AITOFIYXHBIJCN-ZDUSSCGKSA-N 1 2 333.344 2.412 20 5 EEBDLO CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000451451584 243120127 /nfs/dbraw/zinc/12/01/27/243120127.db2.gz CWNJXWOMTDWPOE-TZMCWYRMSA-N 1 2 344.371 2.420 20 5 EEBDLO O=C(NCCCOC(F)F)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451512673 243140047 /nfs/dbraw/zinc/14/00/47/243140047.db2.gz UNQWRNSGWVOWCV-UHFFFAOYSA-N 1 2 340.286 2.140 20 5 EEBDLO C[C@H]1CSC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451692596 243208892 /nfs/dbraw/zinc/20/88/92/243208892.db2.gz UXIFZGZVFUPGCF-CMPLNLGQSA-N 1 2 332.385 2.262 20 5 EEBDLO COC(=O)c1cc(C(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)cc([N+](=O)[O-])c1 ZINC000456359850 244230089 /nfs/dbraw/zinc/23/00/89/244230089.db2.gz YLFMKQWRNMIMCH-RNCFNFMXSA-N 1 2 344.327 2.014 20 5 EEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCOCC12CCC2 ZINC000152031521 284640188 /nfs/dbraw/zinc/64/01/88/284640188.db2.gz CSWXLWADWONBBN-UHFFFAOYSA-N 1 2 342.355 2.176 20 5 EEBDLO Cc1ncsc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093608160 218234955 /nfs/dbraw/zinc/23/49/55/218234955.db2.gz KGVJWYATKKDPEY-UHFFFAOYSA-N 1 2 346.412 2.318 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000094122455 218265862 /nfs/dbraw/zinc/26/58/62/218265862.db2.gz DFKYMKYREXZGKU-CABCVRRESA-N 1 2 349.431 2.359 20 5 EEBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[NH+](CCCO)CC1 ZINC000341843069 285088145 /nfs/dbraw/zinc/08/81/45/285088145.db2.gz LVALJXYOKOLPJS-UHFFFAOYSA-N 1 2 334.203 2.406 20 5 EEBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000347268556 208632052 /nfs/dbraw/zinc/63/20/52/208632052.db2.gz MNKCDZICCBIMDS-BLLLJJGKSA-N 1 2 344.371 2.468 20 5 EEBDLO COc1ccnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000089982532 292215521 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COc1cccc(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1[N+](=O)[O-] ZINC000344582566 465694320 /nfs/dbraw/zinc/69/43/20/465694320.db2.gz PJYQMNLPBJFIOI-CYBMUJFWSA-N 1 2 330.344 2.218 20 5 EEBDLO Cn1ncc([N+](=O)[O-])c1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000594005001 468456908 /nfs/dbraw/zinc/45/69/08/468456908.db2.gz SDHIGBNTHDZDTO-LBPRGKRZSA-N 1 2 337.767 2.223 20 5 EEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000597203066 468479756 /nfs/dbraw/zinc/47/97/56/468479756.db2.gz MDRFUAUIFHFTMD-OTMARIDSSA-N 1 2 331.416 2.405 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCCO)Cc3ccccn3)nc2c1 ZINC000347092817 466385668 /nfs/dbraw/zinc/38/56/68/466385668.db2.gz PUSOQHGMYGNWGR-UHFFFAOYSA-N 1 2 341.371 2.251 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+](CCCO)Cc3ccccn3)nc2c1 ZINC000347092817 466385675 /nfs/dbraw/zinc/38/56/75/466385675.db2.gz PUSOQHGMYGNWGR-UHFFFAOYSA-N 1 2 341.371 2.251 20 5 EEBDLO C[C@@H]1C[C@@H](CO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000354254801 466419410 /nfs/dbraw/zinc/41/94/10/466419410.db2.gz QAEUHNBOTVSUMG-OLZOCXBDSA-N 1 2 344.371 2.014 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365201625 466743565 /nfs/dbraw/zinc/74/35/65/466743565.db2.gz OYVGUJFNTOFUJY-LBPRGKRZSA-N 1 2 344.371 2.357 20 5 EEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCO[C@H](CF)C2)c2c(c1)COCO2 ZINC000411851984 466917802 /nfs/dbraw/zinc/91/78/02/466917802.db2.gz LSPWQIWGPIHIDS-CQSZACIVSA-N 1 2 326.324 2.022 20 5 EEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCO[C@H](CF)C2)c2c(c1)COCO2 ZINC000411851984 466917805 /nfs/dbraw/zinc/91/78/05/466917805.db2.gz LSPWQIWGPIHIDS-CQSZACIVSA-N 1 2 326.324 2.022 20 5 EEBDLO COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000412059930 466988950 /nfs/dbraw/zinc/98/89/50/466988950.db2.gz DMESJUZZBDKLNJ-KRWDZBQOSA-N 1 2 349.387 2.117 20 5 EEBDLO COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000412059930 466988955 /nfs/dbraw/zinc/98/89/55/466988955.db2.gz DMESJUZZBDKLNJ-KRWDZBQOSA-N 1 2 349.387 2.117 20 5 EEBDLO CCN1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433121264 467295446 /nfs/dbraw/zinc/29/54/46/467295446.db2.gz NBCKOQZQOWLIBS-OAHLLOKOSA-N 1 2 343.387 2.145 20 5 EEBDLO CC(C)(CCCO)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450388836 467840934 /nfs/dbraw/zinc/84/09/34/467840934.db2.gz LKMLLBKYCXIURR-UHFFFAOYSA-N 1 2 346.387 2.309 20 5 EEBDLO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000567810689 468215619 /nfs/dbraw/zinc/21/56/19/468215619.db2.gz CHANAVORURNXNR-CYBMUJFWSA-N 1 2 333.388 2.201 20 5 EEBDLO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC2(CCC2)O1 ZINC000567810689 468215623 /nfs/dbraw/zinc/21/56/23/468215623.db2.gz CHANAVORURNXNR-CYBMUJFWSA-N 1 2 333.388 2.201 20 5 EEBDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCC2)O1 ZINC000584527962 468892354 /nfs/dbraw/zinc/89/23/54/468892354.db2.gz SACXMABCHBFBBA-CZUORRHYSA-N 1 2 345.399 2.344 20 5 EEBDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC2(CCC2)O1 ZINC000584527962 468892358 /nfs/dbraw/zinc/89/23/58/468892358.db2.gz SACXMABCHBFBBA-CZUORRHYSA-N 1 2 345.399 2.344 20 5 EEBDLO CCc1cc(NC[C@H]2C[C@@H](O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000599175002 469150526 /nfs/dbraw/zinc/15/05/26/469150526.db2.gz QIYGTGRZGSDQSA-WGRBQBNCSA-N 1 2 328.372 2.219 20 5 EEBDLO O=C(N1CCCC1)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611253435 469209531 /nfs/dbraw/zinc/20/95/31/469209531.db2.gz CRWBEOQVAROFMU-ALCCZGGFSA-N 1 2 344.415 2.441 20 5 EEBDLO CCn1nccc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596571397 469303802 /nfs/dbraw/zinc/30/38/02/469303802.db2.gz HTXCARDKKZWQMO-UHFFFAOYSA-N 1 2 345.403 2.256 20 5 EEBDLO O=[N+]([O-])c1ncccc1NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000603845744 469435461 /nfs/dbraw/zinc/43/54/61/469435461.db2.gz OFPATSCEHIDDFI-INIZCTEOSA-N 1 2 328.372 2.475 20 5 EEBDLO COc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1F ZINC000619724993 469670705 /nfs/dbraw/zinc/67/07/05/469670705.db2.gz BYDFGJMNZDCNOB-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO CCOC1CC(CNc2ccsc2[N+](=O)[O-])([NH+]2CCOCC2)C1 ZINC000618173770 469913413 /nfs/dbraw/zinc/91/34/13/469913413.db2.gz NRUANSWMTGWHRI-UHFFFAOYSA-N 1 2 341.433 2.338 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000023608814 491166634 /nfs/dbraw/zinc/16/66/34/491166634.db2.gz KJTIFUQXBOSBLZ-UHFFFAOYSA-N 1 2 348.384 2.300 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000023608814 491166636 /nfs/dbraw/zinc/16/66/36/491166636.db2.gz KJTIFUQXBOSBLZ-UHFFFAOYSA-N 1 2 348.384 2.300 20 5 EEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000131894653 534465800 /nfs/dbraw/zinc/46/58/00/534465800.db2.gz NAUCRHJPWKMZDF-INIZCTEOSA-N 1 2 328.372 2.415 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000775088916 577429315 /nfs/dbraw/zinc/42/93/15/577429315.db2.gz MSGVJSWPFMVCRB-UHFFFAOYSA-N 1 2 331.275 2.095 20 5 EEBDLO COC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578470 577462991 /nfs/dbraw/zinc/46/29/91/577462991.db2.gz FZLUMQFCYSDZPG-QGZVFWFLSA-N 1 2 344.367 2.303 20 5 EEBDLO COC(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776578470 577462992 /nfs/dbraw/zinc/46/29/92/577462992.db2.gz FZLUMQFCYSDZPG-QGZVFWFLSA-N 1 2 344.367 2.303 20 5 EEBDLO Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000745083883 577908390 /nfs/dbraw/zinc/90/83/90/577908390.db2.gz ZCJPKCCJMCCMIE-DOMZBBRYSA-N 1 2 349.387 2.258 20 5 EEBDLO Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000745083883 577908391 /nfs/dbraw/zinc/90/83/91/577908391.db2.gz ZCJPKCCJMCCMIE-DOMZBBRYSA-N 1 2 349.387 2.258 20 5 EEBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCc1cn2ccccc2[nH+]1 ZINC000745837743 577919455 /nfs/dbraw/zinc/91/94/55/577919455.db2.gz FKQFZQWHIDVUEB-UHFFFAOYSA-N 1 2 344.302 2.077 20 5 EEBDLO O=[N+]([O-])c1cccc([C@H](O)Cn2c3ccccc3[nH+]c2NCCO)c1 ZINC000749643309 577979437 /nfs/dbraw/zinc/97/94/37/577979437.db2.gz APRWFWGRWQXHAO-MRXNPFEDSA-N 1 2 342.355 2.082 20 5 EEBDLO Cn1nc2c(c1C[NH+]1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CCC2 ZINC000891462582 676666445 /nfs/dbraw/zinc/66/64/45/676666445.db2.gz VLDYHMWWWCRKSL-UHFFFAOYSA-N 1 2 341.415 2.139 20 5 EEBDLO Cc1cn(C[N@@H+](C)[C@H]2CCSC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000125214553 1199081414 /nfs/dbraw/zinc/08/14/14/1199081414.db2.gz TXZDWQDQGNLQQJ-ZDUSSCGKSA-N 1 2 348.428 2.250 20 5 EEBDLO Cc1cn(C[N@H+](C)[C@H]2CCSC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000125214553 1199081418 /nfs/dbraw/zinc/08/14/18/1199081418.db2.gz TXZDWQDQGNLQQJ-ZDUSSCGKSA-N 1 2 348.428 2.250 20 5 EEBDLO O=C(C[N@@H+]1CC[C@@H](n2cccn2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000812877220 1200964371 /nfs/dbraw/zinc/96/43/71/1200964371.db2.gz UFWNOLUEAOYBES-GFCCVEGCSA-N 1 2 349.778 2.330 20 5 EEBDLO O=C(C[N@H+]1CC[C@@H](n2cccn2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000812877220 1200964374 /nfs/dbraw/zinc/96/43/74/1200964374.db2.gz UFWNOLUEAOYBES-GFCCVEGCSA-N 1 2 349.778 2.330 20 5 EEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000925575299 1206130861 /nfs/dbraw/zinc/13/08/61/1206130861.db2.gz ZNVXGNJIBUWIAM-ZDUSSCGKSA-N 1 2 336.392 2.136 20 5 EEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000928646151 1206406684 /nfs/dbraw/zinc/40/66/84/1206406684.db2.gz FHZCDPKCAWRQEK-CQSZACIVSA-N 1 2 349.431 2.099 20 5 EEBDLO O=C(OC[C@H]1CCC[C@@H](O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000795557223 1213861989 /nfs/dbraw/zinc/86/19/89/1213861989.db2.gz SGYWRLLJGZFKSI-GXTWGEPZSA-N 1 2 345.355 2.488 20 5 EEBDLO Cc1ccc(NC[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC001068514520 1251212676 /nfs/dbraw/zinc/21/26/76/1251212676.db2.gz BSKUCEQKCRKQFW-JOCQHMNTSA-N 1 2 343.387 2.176 20 5 EEBDLO C[N@@H+]1CCO[C@H](COc2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC001227284803 1301765860 /nfs/dbraw/zinc/76/58/60/1301765860.db2.gz QWDRZTKPFRKMAD-QMMMGPOBSA-N 1 2 349.156 2.206 20 5 EEBDLO C[N@H+]1CCO[C@H](COc2cc(F)c(Br)cc2[N+](=O)[O-])C1 ZINC001227284803 1301765868 /nfs/dbraw/zinc/76/58/68/1301765868.db2.gz QWDRZTKPFRKMAD-QMMMGPOBSA-N 1 2 349.156 2.206 20 5 EEBDLO C[C@H]1COCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835770881 1314948519 /nfs/dbraw/zinc/94/85/19/1314948519.db2.gz LHHAVOXDAIRRIY-NHYWBVRUSA-N 1 2 331.328 2.362 20 5 EEBDLO C[C@H]1[C@H](CO)CCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839670454 1315228977 /nfs/dbraw/zinc/22/89/77/1315228977.db2.gz UOOFSHKRJBOBOD-QWRGUYRKSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@H]1[C@H](CO)CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839670454 1315228982 /nfs/dbraw/zinc/22/89/82/1315228982.db2.gz UOOFSHKRJBOBOD-QWRGUYRKSA-N 1 2 341.795 2.280 20 5 EEBDLO CC(C)[C@@H]1C[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CCCO1 ZINC000840095502 1315292706 /nfs/dbraw/zinc/29/27/06/1315292706.db2.gz KCSMPSOMCJOREG-AWEZNQCLSA-N 1 2 335.360 2.207 20 5 EEBDLO CC(C)[C@@H]1C[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CCCO1 ZINC000840095502 1315292709 /nfs/dbraw/zinc/29/27/09/1315292709.db2.gz KCSMPSOMCJOREG-AWEZNQCLSA-N 1 2 335.360 2.207 20 5 EEBDLO C[C@H]1[C@@H](C)[N@@H+](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C[C@H]1C ZINC000841693289 1315598913 /nfs/dbraw/zinc/59/89/13/1315598913.db2.gz VDVOXOJTAWJESA-IJLUTSLNSA-N 1 2 332.360 2.345 20 5 EEBDLO C[C@H]1[C@@H](C)[N@H+](Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)C[C@H]1C ZINC000841693289 1315598915 /nfs/dbraw/zinc/59/89/15/1315598915.db2.gz VDVOXOJTAWJESA-IJLUTSLNSA-N 1 2 332.360 2.345 20 5 EEBDLO CS[C@H]1CC[C@H]([N@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC001252256872 1317568889 /nfs/dbraw/zinc/56/88/89/1317568889.db2.gz VVVWPIRMSYKNLM-QWRGUYRKSA-N 1 2 349.412 2.364 20 5 EEBDLO CS[C@H]1CC[C@H]([N@@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC001252256872 1317568892 /nfs/dbraw/zinc/56/88/92/1317568892.db2.gz VVVWPIRMSYKNLM-QWRGUYRKSA-N 1 2 349.412 2.364 20 5 EEBDLO [NH3+]Cc1nc(=O)[nH]n1-c1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001157934231 1318938572 /nfs/dbraw/zinc/93/85/72/1318938572.db2.gz UPNLYCQYGPOHLE-UHFFFAOYSA-N 1 2 326.747 2.181 20 5 EEBDLO CC1(C)C[N@@H+](C2CN(c3nccc4cc([N+](=O)[O-])ccc43)C2)CCO1 ZINC001165132107 1321461909 /nfs/dbraw/zinc/46/19/09/1321461909.db2.gz ZYBNHRWAIDTKJD-UHFFFAOYSA-N 1 2 342.399 2.442 20 5 EEBDLO CC1(C)C[N@H+](C2CN(c3nccc4cc([N+](=O)[O-])ccc43)C2)CCO1 ZINC001165132107 1321461914 /nfs/dbraw/zinc/46/19/14/1321461914.db2.gz ZYBNHRWAIDTKJD-UHFFFAOYSA-N 1 2 342.399 2.442 20 5 EEBDLO Cc1[nH+]ccn1CCCCNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001609457353 1351984516 /nfs/dbraw/zinc/98/45/16/1351984516.db2.gz NZHDUDVRRLUBEC-UHFFFAOYSA-N 1 2 342.363 2.172 20 5 EEBDLO O=C(NCCNc1cccc[nH+]1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001336687564 1336581345 /nfs/dbraw/zinc/58/13/45/1336581345.db2.gz YIMOURMQNKTSKZ-HUUCEWRRSA-N 1 2 326.356 2.322 20 5 EEBDLO Cn1c[nH+]c2cc(Nc3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])ccc21 ZINC001592588455 1349664513 /nfs/dbraw/zinc/66/45/13/1349664513.db2.gz TWIJRZWEANGGBY-UHFFFAOYSA-N 1 2 336.315 2.405 20 5 EEBDLO CC[N@H+](C[C@H]1CCCO1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000919947577 770464922 /nfs/dbraw/zinc/46/49/22/770464922.db2.gz OIAJEISIOYUJNW-SECBINFHSA-N 1 2 333.186 2.012 20 5 EEBDLO CC[N@@H+](C[C@H]1CCCO1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000919947577 770464925 /nfs/dbraw/zinc/46/49/25/770464925.db2.gz OIAJEISIOYUJNW-SECBINFHSA-N 1 2 333.186 2.012 20 5 EEBDLO Cc1nc(C(=O)N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC000981034198 776374675 /nfs/dbraw/zinc/37/46/75/776374675.db2.gz YFTKEVGKOQZJJQ-UHFFFAOYSA-N 1 2 344.371 2.239 20 5 EEBDLO Cc1nc(C(=O)N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)co1 ZINC000981034198 776374684 /nfs/dbraw/zinc/37/46/84/776374684.db2.gz YFTKEVGKOQZJJQ-UHFFFAOYSA-N 1 2 344.371 2.239 20 5 EEBDLO Cc1ccc(N(C)CCN(C)C(=O)CCc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC001105394620 781805218 /nfs/dbraw/zinc/80/52/18/781805218.db2.gz DWBSXQXUZRSXQK-UHFFFAOYSA-N 1 2 345.403 2.154 20 5 EEBDLO CC(C)(CCC(=O)NCc1ccccc1Cn1cc[nH+]c1)[N+](=O)[O-] ZINC000822321998 787124644 /nfs/dbraw/zinc/12/46/44/787124644.db2.gz YWTNTSXRNZSIEU-UHFFFAOYSA-N 1 2 330.388 2.383 20 5 EEBDLO Cc1ccc(NC/C=C\CNC(=O)CCc2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC001107565702 787669392 /nfs/dbraw/zinc/66/93/92/787669392.db2.gz DBAHIHWUVPHGFG-IHWYPQMZSA-N 1 2 343.387 2.343 20 5 EEBDLO Cc1ccc(NC/C=C\CNC(=O)CCc2c[nH+]c[nH]2)c([N+](=O)[O-])c1 ZINC001107565702 787669394 /nfs/dbraw/zinc/66/93/94/787669394.db2.gz DBAHIHWUVPHGFG-IHWYPQMZSA-N 1 2 343.387 2.343 20 5 EEBDLO Nc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000823951507 787986522 /nfs/dbraw/zinc/98/65/22/787986522.db2.gz QVUIPDWJNLJZPF-CYBMUJFWSA-N 1 2 343.343 2.257 20 5 EEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844993812 789523875 /nfs/dbraw/zinc/52/38/75/789523875.db2.gz XWLGKFHBYCZGJM-PHIMTYICSA-N 1 2 334.282 2.118 20 5 EEBDLO COc1ccc(OCCOC(=O)C[C@H](C)n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000845280751 789709612 /nfs/dbraw/zinc/70/96/12/789709612.db2.gz 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ZMLDFLMONVHZEA-LLVKDONJSA-N 1 2 332.326 2.271 20 5 EEBDLO CN1CC[N@@H+](C)[C@H](CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000590580088 468276859 /nfs/dbraw/zinc/27/68/59/468276859.db2.gz ZMLDFLMONVHZEA-LLVKDONJSA-N 1 2 332.326 2.271 20 5 EEBDLO O=C(C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCc1ccccc1 ZINC000088606168 462639132 /nfs/dbraw/zinc/63/91/32/462639132.db2.gz PUGPXPIREJAPHJ-UHFFFAOYSA-N 1 2 325.368 2.269 20 5 EEBDLO O=C(C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCc1ccccc1 ZINC000088606168 462639136 /nfs/dbraw/zinc/63/91/36/462639136.db2.gz PUGPXPIREJAPHJ-UHFFFAOYSA-N 1 2 325.368 2.269 20 5 EEBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000089361236 462670529 /nfs/dbraw/zinc/67/05/29/462670529.db2.gz XSPOKHFBLGGCSL-CABCVRRESA-N 1 2 326.418 2.382 20 5 EEBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000089361236 462670531 /nfs/dbraw/zinc/67/05/31/462670531.db2.gz XSPOKHFBLGGCSL-CABCVRRESA-N 1 2 326.418 2.382 20 5 EEBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000046887718 462715990 /nfs/dbraw/zinc/71/59/90/462715990.db2.gz NLPVVXJKTSESQT-CYBMUJFWSA-N 1 2 349.431 2.343 20 5 EEBDLO CNc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000075557091 462730818 /nfs/dbraw/zinc/73/08/18/462730818.db2.gz LYTPWWTZULUMRS-LBPRGKRZSA-N 1 2 329.360 2.379 20 5 EEBDLO CNc1ccc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000075557092 462731384 /nfs/dbraw/zinc/73/13/84/462731384.db2.gz LYTPWWTZULUMRS-GFCCVEGCSA-N 1 2 329.360 2.379 20 5 EEBDLO O=[N+]([O-])c1ccc(NC[C@H]2C[NH+]3CCN2CC3)nc1-c1ccccc1 ZINC000090138694 462778295 /nfs/dbraw/zinc/77/82/95/462778295.db2.gz ISHNKRWZNPIGCS-HNNXBMFYSA-N 1 2 339.399 2.069 20 5 EEBDLO O=[N+]([O-])c1ccc(NC[C@H]2CN3CC[NH+]2CC3)nc1-c1ccccc1 ZINC000090138694 462778298 /nfs/dbraw/zinc/77/82/98/462778298.db2.gz ISHNKRWZNPIGCS-HNNXBMFYSA-N 1 2 339.399 2.069 20 5 EEBDLO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cscn1 ZINC000117336608 462798735 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C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133563083 462945856 /nfs/dbraw/zinc/94/58/56/462945856.db2.gz QLHZHLJRVZGSRD-UHFFFAOYSA-N 1 2 326.360 2.313 20 5 EEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000049235894 462962167 /nfs/dbraw/zinc/96/21/67/462962167.db2.gz ZVUPEVUDVGGAPN-MRVPVSSYSA-N 1 2 326.154 2.449 20 5 EEBDLO Cc1c(C[NH+]2CCN(C(=O)c3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000051182699 463024265 /nfs/dbraw/zinc/02/42/65/463024265.db2.gz CGESKQFFFBZIIF-UHFFFAOYSA-N 1 2 329.356 2.454 20 5 EEBDLO COC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000025557206 463129548 /nfs/dbraw/zinc/12/95/48/463129548.db2.gz NWBAXYZZSFNNIF-LBPRGKRZSA-N 1 2 349.387 2.115 20 5 EEBDLO Cc1cccc(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000026060581 463148319 /nfs/dbraw/zinc/14/83/19/463148319.db2.gz KWDRUZWDKTWNMO-HNNXBMFYSA-N 1 2 349.431 2.380 20 5 EEBDLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)c1[nH]ncc1[N+](=O)[O-] ZINC000136350341 463236420 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LNMIJNFEVCGXRU-CQSZACIVSA-N 1 2 345.321 2.280 20 5 EEBDLO C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000877775375 1200091621 /nfs/dbraw/zinc/09/16/21/1200091621.db2.gz LNMIJNFEVCGXRU-CQSZACIVSA-N 1 2 345.321 2.280 20 5 EEBDLO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@]2(CCCOC2)O1 ZINC000794903576 1201451777 /nfs/dbraw/zinc/45/17/77/1201451777.db2.gz UWFYAUODYKYSJL-CXAGYDPISA-N 1 2 346.387 2.172 20 5 EEBDLO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@@]2(CCCOC2)O1 ZINC000794903576 1201451783 /nfs/dbraw/zinc/45/17/83/1201451783.db2.gz UWFYAUODYKYSJL-CXAGYDPISA-N 1 2 346.387 2.172 20 5 EEBDLO NC(=O)C1([NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CCCC1 ZINC000930001477 1206528031 /nfs/dbraw/zinc/52/80/31/1206528031.db2.gz SXXUVZFXEPZNRT-UHFFFAOYSA-N 1 2 342.193 2.245 20 5 EEBDLO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(Cc3cncs3)CC2)c1 ZINC000931364127 1206625804 /nfs/dbraw/zinc/62/58/04/1206625804.db2.gz WDRVKHCAVHIBGF-UHFFFAOYSA-N 1 2 348.428 2.248 20 5 EEBDLO CCCCC(=O)NCC[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001096266182 1236866961 /nfs/dbraw/zinc/86/69/61/1236866961.db2.gz HONHXFZAUPWCEU-UHFFFAOYSA-N 1 2 348.447 2.332 20 5 EEBDLO CCn1c[nH+]c2c1CCN(Cn1nc(C)c3ccc([N+](=O)[O-])cc31)C2 ZINC000902551991 1237875640 /nfs/dbraw/zinc/87/56/40/1237875640.db2.gz ZWTJZBUPKVEPNF-UHFFFAOYSA-N 1 2 340.387 2.485 20 5 EEBDLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097235871 1243863387 /nfs/dbraw/zinc/86/33/87/1243863387.db2.gz IJIXYWKCINTSDN-TXEJJXNPSA-N 1 2 347.350 2.080 20 5 EEBDLO O=C(NCc1ccc2c(c1)C[N@@H+](C/C=C/Cl)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054265420 1247935126 /nfs/dbraw/zinc/93/51/26/1247935126.db2.gz NVQIPYOSYFCCOP-GLVMKFMPSA-N 1 2 335.791 2.036 20 5 EEBDLO O=C(NCc1ccc2c(c1)C[N@H+](C/C=C/Cl)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054265420 1247935138 /nfs/dbraw/zinc/93/51/38/1247935138.db2.gz NVQIPYOSYFCCOP-GLVMKFMPSA-N 1 2 335.791 2.036 20 5 EEBDLO CCN(CCNC(=O)CCc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100756105 1259220116 /nfs/dbraw/zinc/22/01/16/1259220116.db2.gz BUKSCXVVDZNFCA-UHFFFAOYSA-N 1 2 345.403 2.202 20 5 EEBDLO CCN(CCNC(=O)CCc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100756105 1259220122 /nfs/dbraw/zinc/22/01/22/1259220122.db2.gz BUKSCXVVDZNFCA-UHFFFAOYSA-N 1 2 345.403 2.202 20 5 EEBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)c1[N+](=O)[O-] ZINC000852205874 1292038853 /nfs/dbraw/zinc/03/88/53/1292038853.db2.gz AFAHSFQRQRLLBM-JTQLQIEISA-N 1 2 345.359 2.272 20 5 EEBDLO COc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)c([N+](=O)[O-])cc1C ZINC000853479363 1292393387 /nfs/dbraw/zinc/39/33/87/1292393387.db2.gz ZEIVFZIMLNJXEH-UHFFFAOYSA-N 1 2 343.387 2.337 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4C[C@@H]5CC[C@H]4[NH2+]5)c3nc2cc1C ZINC001218478888 1297674932 /nfs/dbraw/zinc/67/49/32/1297674932.db2.gz GUWKPOUMPHHTKC-MISXGVKJSA-N 1 2 337.383 2.167 20 5 EEBDLO C[N@@H+]1CCO[C@H](COc2c(F)cc(Br)cc2[N+](=O)[O-])C1 ZINC001228481157 1302281735 /nfs/dbraw/zinc/28/17/35/1302281735.db2.gz MENLKSDDHBMGHQ-VIFPVBQESA-N 1 2 349.156 2.206 20 5 EEBDLO C[N@H+]1CCO[C@H](COc2c(F)cc(Br)cc2[N+](=O)[O-])C1 ZINC001228481157 1302281739 /nfs/dbraw/zinc/28/17/39/1302281739.db2.gz MENLKSDDHBMGHQ-VIFPVBQESA-N 1 2 349.156 2.206 20 5 EEBDLO C[N@@H+]1CCO[C@H](COc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229140569 1302639325 /nfs/dbraw/zinc/63/93/25/1302639325.db2.gz DTOJGNSABIFNLV-LBPRGKRZSA-N 1 2 331.166 2.067 20 5 EEBDLO C[N@H+]1CCO[C@H](COc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229140569 1302639335 /nfs/dbraw/zinc/63/93/35/1302639335.db2.gz DTOJGNSABIFNLV-LBPRGKRZSA-N 1 2 331.166 2.067 20 5 EEBDLO O=C(Cc1c[nH]c[nH+]1)NC1(CNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001103460896 1302991298 /nfs/dbraw/zinc/99/12/98/1302991298.db2.gz HUPUXLOUCQJVLY-UHFFFAOYSA-N 1 2 343.387 2.402 20 5 EEBDLO Cc1ccc(S(=O)(=O)N2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC001115866006 1305840078 /nfs/dbraw/zinc/84/00/78/1305840078.db2.gz JJXAVFYGEJRYJN-UHFFFAOYSA-N 1 2 341.433 2.008 20 5 EEBDLO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NCc1c[nH+]cn1CC1CCC1 ZINC001161531406 1320528318 /nfs/dbraw/zinc/52/83/18/1320528318.db2.gz NUEBJLVFWXPBIY-UHFFFAOYSA-N 1 2 337.767 2.490 20 5 EEBDLO Cc1ccc(-c2ccc(NC[C@H]3C[N@H+](C)CCO3)nn2)cc1[N+](=O)[O-] ZINC001155198195 1317497553 /nfs/dbraw/zinc/49/75/53/1317497553.db2.gz WRSQUEJWIMFYDA-AWEZNQCLSA-N 1 2 343.387 2.103 20 5 EEBDLO Cc1ccc(-c2ccc(NC[C@H]3C[N@@H+](C)CCO3)nn2)cc1[N+](=O)[O-] ZINC001155198195 1317497556 /nfs/dbraw/zinc/49/75/56/1317497556.db2.gz WRSQUEJWIMFYDA-AWEZNQCLSA-N 1 2 343.387 2.103 20 5 EEBDLO Cc1ccnc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)c1[N+](=O)[O-] ZINC001165549407 1321544250 /nfs/dbraw/zinc/54/42/50/1321544250.db2.gz PJKGRNOCHIXERT-UHFFFAOYSA-N 1 2 340.343 2.094 20 5 EEBDLO COc1ccc(NC(=O)NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001346535090 1337486014 /nfs/dbraw/zinc/48/60/14/1337486014.db2.gz ZPNXVDNXERVTLD-UHFFFAOYSA-N 1 2 333.348 2.402 20 5 EEBDLO CC(C)([NH2+]Cc1nc(-c2nn[nH]n2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC001589324665 1348983966 /nfs/dbraw/zinc/98/39/66/1348983966.db2.gz NIRXOPBQDQWUFD-UHFFFAOYSA-N 1 2 345.388 2.256 20 5 EEBDLO CCC(=O)c1ccc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000829019407 1372262108 /nfs/dbraw/zinc/26/21/08/1372262108.db2.gz HLRNLUANULEZJN-BETUJISGSA-N 1 2 335.404 2.079 20 5 EEBDLO CCC(=O)c1ccc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000829019407 1372262112 /nfs/dbraw/zinc/26/21/12/1372262112.db2.gz HLRNLUANULEZJN-BETUJISGSA-N 1 2 335.404 2.079 20 5 EEBDLO Cc1cc(N[C@H]2C[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC001091362794 790448683 /nfs/dbraw/zinc/44/86/83/790448683.db2.gz CZYZXHNNUXQAJG-XBXGTLAGSA-N 1 2 343.387 2.176 20 5 EEBDLO O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091495606 790979721 /nfs/dbraw/zinc/97/97/21/790979721.db2.gz GZOLAZKMTLDRON-CTYIDZIISA-N 1 2 343.387 2.188 20 5 EEBDLO Cc1cc(N[C@H]2C[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)ccc1[N+](=O)[O-] ZINC001091515881 791037997 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2 335.314 2.349 20 5 EEBDLO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(F)ncc3F)C2)nc1 ZINC000823459155 787759634 /nfs/dbraw/zinc/75/96/34/787759634.db2.gz QNNVGXGQBZLVDF-LLVKDONJSA-N 1 2 335.314 2.349 20 5 EEBDLO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC000152345214 794797721 /nfs/dbraw/zinc/79/77/21/794797721.db2.gz UCACRPPLLAEVPK-UHFFFAOYSA-N 1 2 347.350 2.239 20 5 EEBDLO Cc1cc(NCCCNC(=O)CCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC001094525499 796358860 /nfs/dbraw/zinc/35/88/60/796358860.db2.gz OEACRDYYKUYZON-UHFFFAOYSA-N 1 2 345.403 2.188 20 5 EEBDLO C[C@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)n1cc[nH+]c1 ZINC000917363038 798194961 /nfs/dbraw/zinc/19/49/61/798194961.db2.gz PCZNADLXGQQMQW-CQSZACIVSA-N 1 2 343.387 2.091 20 5 EEBDLO C[N@@H+]1CCO[C@H](COc2c(Br)cc(F)cc2[N+](=O)[O-])C1 ZINC001230936656 798620931 /nfs/dbraw/zinc/62/09/31/798620931.db2.gz CIECDXYHLJNFOJ-VIFPVBQESA-N 1 2 349.156 2.206 20 5 EEBDLO C[N@H+]1CCO[C@H](COc2c(Br)cc(F)cc2[N+](=O)[O-])C1 ZINC001230936656 798620936 /nfs/dbraw/zinc/62/09/36/798620936.db2.gz CIECDXYHLJNFOJ-VIFPVBQESA-N 1 2 349.156 2.206 20 5 EEBDLO Cc1nc[nH]c1C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001004281482 801602976 /nfs/dbraw/zinc/60/29/76/801602976.db2.gz KZTWRAGOSKCGMM-UHFFFAOYSA-N 1 2 349.416 2.082 20 5 EEBDLO NC(Cc1cccnc1)=[NH+]OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789597941 808093754 /nfs/dbraw/zinc/09/37/54/808093754.db2.gz VRWDYWAFSIZSQV-UHFFFAOYSA-N 1 2 331.288 2.139 20 5 EEBDLO C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598450328 991908408 /nfs/dbraw/zinc/90/84/08/991908408.db2.gz VOQPQIDNFWDTSW-CQSZACIVSA-N 1 2 347.415 2.457 20 5 EEBDLO C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598450328 991908420 /nfs/dbraw/zinc/90/84/20/991908420.db2.gz VOQPQIDNFWDTSW-CQSZACIVSA-N 1 2 347.415 2.457 20 5 EEBDLO C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598450328 991908432 /nfs/dbraw/zinc/90/84/32/991908432.db2.gz 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CCc1ncc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)s1 ZINC000264341955 246375615 /nfs/dbraw/zinc/37/56/15/246375615.db2.gz QBEDRVNVWIAILT-UHFFFAOYSA-N 1 2 333.417 2.331 20 5 EEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000266066274 248073642 /nfs/dbraw/zinc/07/36/42/248073642.db2.gz WLBXAXSGYCMODD-UHFFFAOYSA-N 1 2 329.356 2.075 20 5 EEBDLO COc1cc(N2CC[NH+](Cc3ccccn3)CC2)c(F)cc1[N+](=O)[O-] ZINC000270566214 256149230 /nfs/dbraw/zinc/14/92/30/256149230.db2.gz NAYXRFBOXQTYDE-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO Cc1ncc(C[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000053145453 292136842 /nfs/dbraw/zinc/13/68/42/292136842.db2.gz CKQOBBQSIWVNHW-UHFFFAOYSA-N 1 2 346.412 2.381 20 5 EEBDLO Cc1ncc(C[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000053145453 292136845 /nfs/dbraw/zinc/13/68/45/292136845.db2.gz CKQOBBQSIWVNHW-UHFFFAOYSA-N 1 2 346.412 2.381 20 5 EEBDLO CN(C)c1[nH+]cccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352233081 153014269 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ZINC000610277692 469999101 /nfs/dbraw/zinc/99/91/01/469999101.db2.gz VPFXWYHYSRMVRD-SNVBAGLBSA-N 1 2 331.319 2.329 20 5 EEBDLO COc1ccc(C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000592130130 485597757 /nfs/dbraw/zinc/59/77/57/485597757.db2.gz RFAYODJOOKFZEB-LBPRGKRZSA-N 1 2 327.331 2.129 20 5 EEBDLO COc1ccc(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000592130130 485597761 /nfs/dbraw/zinc/59/77/61/485597761.db2.gz RFAYODJOOKFZEB-LBPRGKRZSA-N 1 2 327.331 2.129 20 5 EEBDLO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266518552 536453637 /nfs/dbraw/zinc/45/36/37/536453637.db2.gz ZGPJYSYGIGMUBJ-NSHDSACASA-N 1 2 342.758 2.077 20 5 EEBDLO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266518552 536453640 /nfs/dbraw/zinc/45/36/40/536453640.db2.gz ZGPJYSYGIGMUBJ-NSHDSACASA-N 1 2 342.758 2.077 20 5 EEBDLO Cc1cc(C(=O)NCC[NH+]2Cc3ccccc3C2)c(N)c([N+](=O)[O-])c1 ZINC000729526996 576662445 /nfs/dbraw/zinc/66/24/45/576662445.db2.gz 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CCc1nn(C)c(N2CCC([N@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000769910322 577586953 /nfs/dbraw/zinc/58/69/53/577586953.db2.gz WLSCIQVNHPNKLM-UHFFFAOYSA-N 1 2 331.367 2.056 20 5 EEBDLO CCc1nn(C)c(N2CCC([N@@H+](C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000769910322 577586954 /nfs/dbraw/zinc/58/69/54/577586954.db2.gz WLSCIQVNHPNKLM-UHFFFAOYSA-N 1 2 331.367 2.056 20 5 EEBDLO CC(C)c1[nH]nc(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)c1[N+](=O)[O-] ZINC000771251949 577612540 /nfs/dbraw/zinc/61/25/40/577612540.db2.gz RQSCMUYPFQDZCL-UHFFFAOYSA-N 1 2 341.331 2.274 20 5 EEBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741149457 578113936 /nfs/dbraw/zinc/11/39/36/578113936.db2.gz YPIAAPHCDQWZQK-SWLSCSKDSA-N 1 2 349.387 2.339 20 5 EEBDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741149457 578113937 /nfs/dbraw/zinc/11/39/37/578113937.db2.gz YPIAAPHCDQWZQK-SWLSCSKDSA-N 1 2 349.387 2.339 20 5 EEBDLO O=[N+]([O-])c1ccnn1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175925585 676228443 /nfs/dbraw/zinc/22/84/43/676228443.db2.gz GTMHQNPTLMOHPW-MRXNPFEDSA-N 1 2 330.388 2.473 20 5 EEBDLO O=[N+]([O-])c1ccnn1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175925585 676228445 /nfs/dbraw/zinc/22/84/45/676228445.db2.gz GTMHQNPTLMOHPW-MRXNPFEDSA-N 1 2 330.388 2.473 20 5 EEBDLO CSCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029203101 683524821 /nfs/dbraw/zinc/52/48/21/683524821.db2.gz XRRZFIIWUKNUDF-GASCZTMLSA-N 1 2 335.429 2.133 20 5 EEBDLO CSCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029203101 683524824 /nfs/dbraw/zinc/52/48/24/683524824.db2.gz XRRZFIIWUKNUDF-GASCZTMLSA-N 1 2 335.429 2.133 20 5 EEBDLO Cc1noc(C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1[N+](=O)[O-] ZINC001307647156 1190960378 /nfs/dbraw/zinc/96/03/78/1190960378.db2.gz HUMFGWDHDQVEFW-RYUDHWBXSA-N 1 2 327.406 2.378 20 5 EEBDLO Cc1noc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1[N+](=O)[O-] ZINC001307647156 1190960379 /nfs/dbraw/zinc/96/03/79/1190960379.db2.gz HUMFGWDHDQVEFW-RYUDHWBXSA-N 1 2 327.406 2.378 20 5 EEBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868718653 1201866051 /nfs/dbraw/zinc/86/60/51/1201866051.db2.gz AZLJRVNFDDEAQT-ONEGZZNKSA-N 1 2 348.403 2.242 20 5 EEBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886209043 1202480777 /nfs/dbraw/zinc/48/07/77/1202480777.db2.gz CUWNSWHCLCGJQB-CQSZACIVSA-N 1 2 334.376 2.233 20 5 EEBDLO O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886209043 1202480778 /nfs/dbraw/zinc/48/07/78/1202480778.db2.gz CUWNSWHCLCGJQB-CQSZACIVSA-N 1 2 334.376 2.233 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000924241294 1205950246 /nfs/dbraw/zinc/95/02/46/1205950246.db2.gz TUFQAPOPRSWBJV-NSHDSACASA-N 1 2 342.779 2.055 20 5 EEBDLO CC(C)[C@@](C)([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C(N)=O ZINC000930459928 1206559728 /nfs/dbraw/zinc/55/97/28/1206559728.db2.gz FWEDIEZTIOJVFT-CYBMUJFWSA-N 1 2 344.209 2.347 20 5 EEBDLO O=C(NCCCCn1cc[nH+]c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778275869 1208043504 /nfs/dbraw/zinc/04/35/04/1208043504.db2.gz NAJLVGSVNFYPSG-UHFFFAOYSA-N 1 2 338.314 2.480 20 5 EEBDLO O=C1[C@@H]([NH+]2CCC(F)(F)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000796553990 1221294002 /nfs/dbraw/zinc/29/40/02/1221294002.db2.gz ZYCAVLCADIPHQN-ZDUSSCGKSA-N 1 2 325.315 2.431 20 5 EEBDLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001097180623 1243793002 /nfs/dbraw/zinc/79/30/02/1243793002.db2.gz VJTFBVWRUJKUNL-PHIMTYICSA-N 1 2 347.350 2.149 20 5 EEBDLO CSc1nc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227628974 1301916867 /nfs/dbraw/zinc/91/68/67/1301916867.db2.gz SFULTCFDRWMPRW-KYZUINATSA-N 1 2 328.394 2.064 20 5 EEBDLO C[N@@H+]1CCO[C@@H](COc2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC001229898765 1302981141 /nfs/dbraw/zinc/98/11/41/1302981141.db2.gz JZFFGGZYLOLMQN-SECBINFHSA-N 1 2 349.156 2.206 20 5 EEBDLO C[N@H+]1CCO[C@@H](COc2c(F)cc([N+](=O)[O-])cc2Br)C1 ZINC001229898765 1302981142 /nfs/dbraw/zinc/98/11/42/1302981142.db2.gz JZFFGGZYLOLMQN-SECBINFHSA-N 1 2 349.156 2.206 20 5 EEBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000840187701 1315321626 /nfs/dbraw/zinc/32/16/26/1315321626.db2.gz DYCNLZZIIWPFMX-LBPRGKRZSA-N 1 2 329.356 2.270 20 5 EEBDLO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000840187701 1315321632 /nfs/dbraw/zinc/32/16/32/1315321632.db2.gz DYCNLZZIIWPFMX-LBPRGKRZSA-N 1 2 329.356 2.270 20 5 EEBDLO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCN(CC(F)(F)F)CC1)C2 ZINC001254602432 1318140508 /nfs/dbraw/zinc/14/05/08/1318140508.db2.gz FSARVRWNCIMSSI-AWEZNQCLSA-N 1 2 329.322 2.242 20 5 EEBDLO CCCCC(=O)NCCC1=CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001159281283 1319715991 /nfs/dbraw/zinc/71/59/91/1319715991.db2.gz OJZVMJRYYXXXJB-UHFFFAOYSA-N 1 2 349.435 2.157 20 5 EEBDLO CCCCC(=O)NCCC1=CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001159281283 1319715999 /nfs/dbraw/zinc/71/59/99/1319715999.db2.gz OJZVMJRYYXXXJB-UHFFFAOYSA-N 1 2 349.435 2.157 20 5 EEBDLO COc1cc[nH+]c(C(C)(C)CNc2ncc([N+](=O)[O-])c(OC)n2)c1 ZINC001162128723 1320756328 /nfs/dbraw/zinc/75/63/28/1320756328.db2.gz UBIYMTNUEYWFAS-UHFFFAOYSA-N 1 2 333.348 2.187 20 5 EEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc3[nH+]ccn3c2)n1 ZINC001163142864 1321049894 /nfs/dbraw/zinc/04/98/94/1321049894.db2.gz QISFPCMIGPVPLT-UHFFFAOYSA-N 1 2 327.300 2.036 20 5 EEBDLO O=C(COc1cccc([N+](=O)[O-])c1)OCCc1cn2c([nH+]1)CCCC2 ZINC001343661470 1337344236 /nfs/dbraw/zinc/34/42/36/1337344236.db2.gz WZZFZMHESZEVSV-UHFFFAOYSA-N 1 2 345.355 2.292 20 5 EEBDLO CC[N@H+](C[C@@H]1CCCO1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000919947583 770465144 /nfs/dbraw/zinc/46/51/44/770465144.db2.gz OIAJEISIOYUJNW-VIFPVBQESA-N 1 2 333.186 2.012 20 5 EEBDLO CC[N@@H+](C[C@@H]1CCCO1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000919947583 770465147 /nfs/dbraw/zinc/46/51/47/770465147.db2.gz OIAJEISIOYUJNW-VIFPVBQESA-N 1 2 333.186 2.012 20 5 EEBDLO CCN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)CCn1cc[nH+]c1 ZINC001106904239 773829644 /nfs/dbraw/zinc/82/96/44/773829644.db2.gz HHBMXJREMLUPMP-UHFFFAOYSA-N 1 2 349.366 2.281 20 5 EEBDLO CCN(CCNc1ccc(C)cc1[N+](=O)[O-])C(=O)Cc1c[nH+]c[nH]1 ZINC001106961416 781221634 /nfs/dbraw/zinc/22/16/34/781221634.db2.gz JNJHVCPHOACSAG-UHFFFAOYSA-N 1 2 331.376 2.129 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091471427 790932965 /nfs/dbraw/zinc/93/29/65/790932965.db2.gz AHLUQDVMSIFJNF-MQMHXKEQSA-N 1 2 343.387 2.176 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000824432695 788168281 /nfs/dbraw/zinc/16/82/81/788168281.db2.gz ZKZOBRKHWPQDRN-STQMWFEESA-N 1 2 335.404 2.051 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000824432695 788168286 /nfs/dbraw/zinc/16/82/86/788168286.db2.gz ZKZOBRKHWPQDRN-STQMWFEESA-N 1 2 335.404 2.051 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000444042377 796602772 /nfs/dbraw/zinc/60/27/72/796602772.db2.gz JGSDUDZOQJMHEQ-CQSZACIVSA-N 1 2 343.387 2.418 20 5 EEBDLO COc1nc(NCCc2cn3ccccc3[nH+]2)nc(C)c1[N+](=O)[O-] ZINC001169001099 803566338 /nfs/dbraw/zinc/56/63/38/803566338.db2.gz YQOXOLBEQLMYFX-UHFFFAOYSA-N 1 2 328.332 2.004 20 5 EEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cc[nH+]c(N)c2)cc1OC ZINC000787592225 807149700 /nfs/dbraw/zinc/14/97/00/807149700.db2.gz RKOBEXZUSHLFSP-UHFFFAOYSA-N 1 2 347.327 2.336 20 5 EEBDLO C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598450327 991908814 /nfs/dbraw/zinc/90/88/14/991908814.db2.gz VOQPQIDNFWDTSW-AWEZNQCLSA-N 1 2 347.415 2.457 20 5 EEBDLO C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598450327 991908821 /nfs/dbraw/zinc/90/88/21/991908821.db2.gz VOQPQIDNFWDTSW-AWEZNQCLSA-N 1 2 347.415 2.457 20 5 EEBDLO C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598450327 991908829 /nfs/dbraw/zinc/90/88/29/991908829.db2.gz VOQPQIDNFWDTSW-AWEZNQCLSA-N 1 2 347.415 2.457 20 5 EEBDLO C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001598450327 991908839 /nfs/dbraw/zinc/90/88/39/991908839.db2.gz VOQPQIDNFWDTSW-AWEZNQCLSA-N 1 2 347.415 2.457 20 5 EEBDLO C[N@@H+]1CCc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2C1 ZINC000023607751 212384059 /nfs/dbraw/zinc/38/40/59/212384059.db2.gz VLPPRVUQRPQSLF-UHFFFAOYSA-N 1 2 348.384 2.057 20 5 EEBDLO C[N@H+]1CCc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2C1 ZINC000023607751 212384064 /nfs/dbraw/zinc/38/40/64/212384064.db2.gz VLPPRVUQRPQSLF-UHFFFAOYSA-N 1 2 348.384 2.057 20 5 EEBDLO CC(=O)CN(CC(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000421884385 240043486 /nfs/dbraw/zinc/04/34/86/240043486.db2.gz FWYXLTSFNSJUFH-UHFFFAOYSA-N 1 2 344.371 2.468 20 5 EEBDLO Cc1ccc(C[N@@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000425960374 241188464 /nfs/dbraw/zinc/18/84/64/241188464.db2.gz XDKIFKBZIKBYHM-MRXNPFEDSA-N 1 2 346.431 2.481 20 5 EEBDLO Cc1ccc(C[N@H+]2CCN3C(=O)N(CC(C)C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000425960374 241188467 /nfs/dbraw/zinc/18/84/67/241188467.db2.gz XDKIFKBZIKBYHM-MRXNPFEDSA-N 1 2 346.431 2.481 20 5 EEBDLO C[C@H]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2[nH+]ccn21 ZINC000456402558 244246878 /nfs/dbraw/zinc/24/68/78/244246878.db2.gz WIITZXYJEDTSJA-UFBFGSQYSA-N 1 2 326.316 2.103 20 5 EEBDLO O=C(c1cccc(O)c1)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000081021692 217351814 /nfs/dbraw/zinc/35/18/14/217351814.db2.gz LZCJYYYSJYEZSY-UHFFFAOYSA-N 1 2 341.367 2.258 20 5 EEBDLO Cn1cc[nH+]c1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265310405 247393370 /nfs/dbraw/zinc/39/33/70/247393370.db2.gz BHLRRXNQJJLZQE-UHFFFAOYSA-N 1 2 338.751 2.067 20 5 EEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](C/C=C\c2ccncc2)CC1 ZINC000453576774 285165757 /nfs/dbraw/zinc/16/57/57/285165757.db2.gz NIRUPUFZGMLDRG-IHWYPQMZSA-N 1 2 325.372 2.220 20 5 EEBDLO Cc1cc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000153755411 224153202 /nfs/dbraw/zinc/15/32/02/224153202.db2.gz TXRHBEUUAPWJAZ-CHWSQXEVSA-N 1 2 336.392 2.134 20 5 EEBDLO O=C(C[N@H+]1CCCC[C@H]1CO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000267899585 256094842 /nfs/dbraw/zinc/09/48/42/256094842.db2.gz XSTIXRUAHBAWNE-NSHDSACASA-N 1 2 327.768 2.034 20 5 EEBDLO O=C(C[N@@H+]1CCCC[C@H]1CO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000267899585 256094843 /nfs/dbraw/zinc/09/48/43/256094843.db2.gz XSTIXRUAHBAWNE-NSHDSACASA-N 1 2 327.768 2.034 20 5 EEBDLO COC(=O)c1occc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173474019 152168073 /nfs/dbraw/zinc/16/80/73/152168073.db2.gz PDHYORMOYJVEIS-LBPRGKRZSA-N 1 2 346.343 2.056 20 5 EEBDLO COC(=O)c1occc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173474019 152168079 /nfs/dbraw/zinc/16/80/79/152168079.db2.gz PDHYORMOYJVEIS-LBPRGKRZSA-N 1 2 346.343 2.056 20 5 EEBDLO Cc1ccn2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH+]c2c1 ZINC000107429476 159332012 /nfs/dbraw/zinc/33/20/12/159332012.db2.gz NLYDAFXUMKJIFD-UHFFFAOYSA-N 1 2 346.368 2.029 20 5 EEBDLO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000352443994 162136692 /nfs/dbraw/zinc/13/66/92/162136692.db2.gz VEVISLACTHFECU-UHFFFAOYSA-N 1 2 349.350 2.374 20 5 EEBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000355525200 163220692 /nfs/dbraw/zinc/22/06/92/163220692.db2.gz OIDOQKGOXDQYHQ-JTQLQIEISA-N 1 2 342.783 2.090 20 5 EEBDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000355525200 163220693 /nfs/dbraw/zinc/22/06/93/163220693.db2.gz OIDOQKGOXDQYHQ-JTQLQIEISA-N 1 2 342.783 2.090 20 5 EEBDLO Cc1ccn2cc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000355637038 163256250 /nfs/dbraw/zinc/25/62/50/163256250.db2.gz RFYVAHRWKDNBOS-UHFFFAOYSA-N 1 2 326.312 2.187 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000375997508 167242175 /nfs/dbraw/zinc/24/21/75/167242175.db2.gz BMRHOCHKEFGDKV-IGCXYCKISA-N 1 2 334.420 2.498 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000375997508 167242177 /nfs/dbraw/zinc/24/21/77/167242177.db2.gz BMRHOCHKEFGDKV-IGCXYCKISA-N 1 2 334.420 2.498 20 5 EEBDLO C[C@H]1OCC[C@@]12C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CCO2 ZINC000280270795 269345027 /nfs/dbraw/zinc/34/50/27/269345027.db2.gz CYRZDXGTQVPBAW-BDJLRTHQSA-N 1 2 333.344 2.116 20 5 EEBDLO C[C@H]1OCC[C@@]12C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CCO2 ZINC000280270795 269345029 /nfs/dbraw/zinc/34/50/29/269345029.db2.gz CYRZDXGTQVPBAW-BDJLRTHQSA-N 1 2 333.344 2.116 20 5 EEBDLO COc1cc(C[NH2+]Cc2ncccc2N(C)C)c([N+](=O)[O-])cc1O ZINC000289421994 275115055 /nfs/dbraw/zinc/11/50/55/275115055.db2.gz BPMOMEXZEHLEOB-UHFFFAOYSA-N 1 2 332.360 2.060 20 5 EEBDLO CC(C)c1nnc([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)[nH]1 ZINC000289887043 275158460 /nfs/dbraw/zinc/15/84/60/275158460.db2.gz SCOXPXGZIGRKIZ-CYBMUJFWSA-N 1 2 333.396 2.260 20 5 EEBDLO CC(C)c1nnc([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)[nH]1 ZINC000289887043 275158461 /nfs/dbraw/zinc/15/84/61/275158461.db2.gz SCOXPXGZIGRKIZ-CYBMUJFWSA-N 1 2 333.396 2.260 20 5 EEBDLO COc1ccc(OCC[N@H+](C)Cc2nncn2C(C)C)c([N+](=O)[O-])c1 ZINC000292120611 275379567 /nfs/dbraw/zinc/37/95/67/275379567.db2.gz ALGSEGHZHLBWHR-UHFFFAOYSA-N 1 2 349.391 2.287 20 5 EEBDLO COc1ccc(OCC[N@@H+](C)Cc2nncn2C(C)C)c([N+](=O)[O-])c1 ZINC000292120611 275379569 /nfs/dbraw/zinc/37/95/69/275379569.db2.gz ALGSEGHZHLBWHR-UHFFFAOYSA-N 1 2 349.391 2.287 20 5 EEBDLO CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000408041977 276250678 /nfs/dbraw/zinc/25/06/78/276250678.db2.gz PEKXDYFCSWUEHZ-STQMWFEESA-N 1 2 341.433 2.006 20 5 EEBDLO CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000408041977 276250679 /nfs/dbraw/zinc/25/06/79/276250679.db2.gz PEKXDYFCSWUEHZ-STQMWFEESA-N 1 2 341.433 2.006 20 5 EEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000172691846 280733966 /nfs/dbraw/zinc/73/39/66/280733966.db2.gz HEVNSWIBPUTLPM-ZDUSSCGKSA-N 1 2 341.433 2.008 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000159304534 289287661 /nfs/dbraw/zinc/28/76/61/289287661.db2.gz VUPQPQNJYHLGLX-HNNXBMFYSA-N 1 2 347.346 2.472 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](O)CC1 ZINC000292986333 293095620 /nfs/dbraw/zinc/09/56/20/293095620.db2.gz BSEFNWHMLHBXOV-JQWIXIFHSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](O)CC1 ZINC000292986333 293095621 /nfs/dbraw/zinc/09/56/21/293095621.db2.gz BSEFNWHMLHBXOV-JQWIXIFHSA-N 1 2 341.795 2.422 20 5 EEBDLO CC1(C)CC[C@H](C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000293114350 293129706 /nfs/dbraw/zinc/12/97/06/293129706.db2.gz LVQCIDIFBVUAHR-CQSZACIVSA-N 1 2 347.415 2.310 20 5 EEBDLO CS(=O)(=O)C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000293855175 293311261 /nfs/dbraw/zinc/31/12/61/293311261.db2.gz HZAFHAZJPNMOSR-LHRNQBEKSA-N 1 2 338.429 2.365 20 5 EEBDLO CS(=O)(=O)C[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000293855175 293311262 /nfs/dbraw/zinc/31/12/62/293311262.db2.gz HZAFHAZJPNMOSR-LHRNQBEKSA-N 1 2 338.429 2.365 20 5 EEBDLO COc1cc[nH+]cc1CNC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000294074896 293364109 /nfs/dbraw/zinc/36/41/09/293364109.db2.gz BZJLWBXMMMRBBE-UHFFFAOYSA-N 1 2 344.371 2.383 20 5 EEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000302185405 294939527 /nfs/dbraw/zinc/93/95/27/294939527.db2.gz PDALUVNACPIGPZ-AWEZNQCLSA-N 1 2 343.339 2.434 20 5 EEBDLO Cc1occc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000414402389 313013792 /nfs/dbraw/zinc/01/37/92/313013792.db2.gz YGDXZYFQCXQHEP-UHFFFAOYSA-N 1 2 329.356 2.454 20 5 EEBDLO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCO1 ZINC000448886466 315397475 /nfs/dbraw/zinc/39/74/75/315397475.db2.gz UTYBVUFERGWSMY-LBPRGKRZSA-N 1 2 330.344 2.032 20 5 EEBDLO Cc1cc(C)c(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000452042692 315488320 /nfs/dbraw/zinc/48/83/20/315488320.db2.gz ORCLYQPHPXVDTH-UHFFFAOYSA-N 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C[C@H](O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000089932410 462745724 /nfs/dbraw/zinc/74/57/24/462745724.db2.gz JSWXIGRGXLJVDR-QWRGUYRKSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000089932410 462745729 /nfs/dbraw/zinc/74/57/29/462745729.db2.gz JSWXIGRGXLJVDR-QWRGUYRKSA-N 1 2 341.795 2.280 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000008338025 462780330 /nfs/dbraw/zinc/78/03/30/462780330.db2.gz IEZCPVXUZFOWAH-UHFFFAOYSA-N 1 2 335.795 2.304 20 5 EEBDLO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000021822738 463041407 /nfs/dbraw/zinc/04/14/07/463041407.db2.gz KPPMIICOLPRWAD-LBPRGKRZSA-N 1 2 349.387 2.197 20 5 EEBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000590767755 468334355 /nfs/dbraw/zinc/33/43/55/468334355.db2.gz UUNLPYQHGRAUPE-UHFFFAOYSA-N 1 2 344.327 2.151 20 5 EEBDLO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)[C@H](C)[NH+]1CCOCC1 ZINC000139293670 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20 5 EEBDLO NC(=O)C1CC[NH+](c2ccc(Nc3cccnc3[N+](=O)[O-])cc2)CC1 ZINC000748794206 577966911 /nfs/dbraw/zinc/96/69/11/577966911.db2.gz AVDJMVSQSJGZOH-UHFFFAOYSA-N 1 2 341.371 2.435 20 5 EEBDLO CCN1C(=O)C(C)(C)[NH2+]C12CCN(c1ccc([N+](=O)[O-])cc1)CC2 ZINC000840838091 676582309 /nfs/dbraw/zinc/58/23/09/676582309.db2.gz MGKWEYORZTVVIM-UHFFFAOYSA-N 1 2 332.404 2.122 20 5 EEBDLO COc1nccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1F ZINC000892077888 677976976 /nfs/dbraw/zinc/97/69/76/677976976.db2.gz BNOGIYISBYNPHU-GFCCVEGCSA-N 1 2 347.350 2.219 20 5 EEBDLO COc1nccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1F ZINC000892077888 677976979 /nfs/dbraw/zinc/97/69/79/677976979.db2.gz BNOGIYISBYNPHU-GFCCVEGCSA-N 1 2 347.350 2.219 20 5 EEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1C[C@@H]2CSC[C@@H]2C1 ZINC000894351163 682593277 /nfs/dbraw/zinc/59/32/77/682593277.db2.gz YTRXLOZTHQHQEL-BETUJISGSA-N 1 2 344.396 2.216 20 5 EEBDLO O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029210334 683542134 /nfs/dbraw/zinc/54/21/34/683542134.db2.gz BOVVIJKHNDHUPF-IYBDPMFKSA-N 1 2 340.383 2.412 20 5 EEBDLO O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029210334 683542136 /nfs/dbraw/zinc/54/21/36/683542136.db2.gz BOVVIJKHNDHUPF-IYBDPMFKSA-N 1 2 340.383 2.412 20 5 EEBDLO COCCC[N@H+](CCO)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000783730155 1187088206 /nfs/dbraw/zinc/08/82/06/1187088206.db2.gz QYYBORXAILHKLG-UHFFFAOYSA-N 1 2 347.209 2.188 20 5 EEBDLO COCCC[N@@H+](CCO)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000783730155 1187088209 /nfs/dbraw/zinc/08/82/09/1187088209.db2.gz QYYBORXAILHKLG-UHFFFAOYSA-N 1 2 347.209 2.188 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000874386042 1198880598 /nfs/dbraw/zinc/88/05/98/1198880598.db2.gz SAJAPBDYCWMOJT-KBPBESRZSA-N 1 2 335.404 2.051 20 5 EEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000874699640 1198948687 /nfs/dbraw/zinc/94/86/87/1198948687.db2.gz KTYAZOXOJSZCRH-LLVKDONJSA-N 1 2 341.795 2.089 20 5 EEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000874699640 1198948690 /nfs/dbraw/zinc/94/86/90/1198948690.db2.gz KTYAZOXOJSZCRH-LLVKDONJSA-N 1 2 341.795 2.089 20 5 EEBDLO Cc1nn(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000811775813 1200289245 /nfs/dbraw/zinc/28/92/45/1200289245.db2.gz GHNGSBZFXYCATE-GJZGRUSLSA-N 1 2 345.403 2.495 20 5 EEBDLO Cc1nn(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c2ncc([N+](=O)[O-])cc12 ZINC000811775813 1200289252 /nfs/dbraw/zinc/28/92/52/1200289252.db2.gz GHNGSBZFXYCATE-GJZGRUSLSA-N 1 2 345.403 2.495 20 5 EEBDLO COc1cccc([C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC000870149279 1200511808 /nfs/dbraw/zinc/51/18/08/1200511808.db2.gz HHEWLOXKMBNOBA-AWEZNQCLSA-N 1 2 347.396 2.452 20 5 EEBDLO CCOc1cccc(N2CCC(N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000866212554 1201466937 /nfs/dbraw/zinc/46/69/37/1201466937.db2.gz LMMWISAPCCXDJG-UHFFFAOYSA-N 1 2 348.447 2.210 20 5 EEBDLO COC(=O)COc1ccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886140116 1202476732 /nfs/dbraw/zinc/47/67/32/1202476732.db2.gz ACTIFSXCLFXAMX-UHFFFAOYSA-N 1 2 345.355 2.174 20 5 EEBDLO COC(=O)COc1ccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886140116 1202476733 /nfs/dbraw/zinc/47/67/33/1202476733.db2.gz ACTIFSXCLFXAMX-UHFFFAOYSA-N 1 2 345.355 2.174 20 5 EEBDLO CCOC(=O)[C@H](C[C@@H]1CCCO1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000886963418 1204171773 /nfs/dbraw/zinc/17/17/73/1204171773.db2.gz PXTPONKEHYJQRC-HOTGVXAUSA-N 1 2 336.388 2.228 20 5 EEBDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000931669453 1207437293 /nfs/dbraw/zinc/43/72/93/1207437293.db2.gz CGWMLCCVDWRVFN-CYBMUJFWSA-N 1 2 330.768 2.116 20 5 EEBDLO CC[C@@]1(O)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778388913 1208227802 /nfs/dbraw/zinc/22/78/02/1208227802.db2.gz SUXRNKGUUUAXRC-CQSZACIVSA-N 1 2 327.768 2.034 20 5 EEBDLO CC[C@@]1(O)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000778388913 1208227804 /nfs/dbraw/zinc/22/78/04/1208227804.db2.gz SUXRNKGUUUAXRC-CQSZACIVSA-N 1 2 327.768 2.034 20 5 EEBDLO CC[C@H](CSC)[N@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000091024715 1213394014 /nfs/dbraw/zinc/39/40/14/1213394014.db2.gz UVTJKPNWMCVOLY-SNVBAGLBSA-N 1 2 337.401 2.222 20 5 EEBDLO CC[C@H](CSC)[N@@H+](C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000091024715 1213394017 /nfs/dbraw/zinc/39/40/17/1213394017.db2.gz UVTJKPNWMCVOLY-SNVBAGLBSA-N 1 2 337.401 2.222 20 5 EEBDLO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000859227200 1294354850 /nfs/dbraw/zinc/35/48/50/1294354850.db2.gz AVELUVNMJAZTRY-GHMZBOCLSA-N 1 2 341.795 2.087 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NCCN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001101889287 1299990550 /nfs/dbraw/zinc/99/05/50/1299990550.db2.gz UYLNKGFZDJLCHC-UHFFFAOYSA-N 1 2 331.376 2.060 20 5 EEBDLO O=[N+]([O-])c1cnc(O[C@@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC001226339018 1301364269 /nfs/dbraw/zinc/36/42/69/1301364269.db2.gz FIOLFXNPSBQHCQ-LLVKDONJSA-N 1 2 328.166 2.225 20 5 EEBDLO c1cnc2c(c1)ccc1ccc(C[NH+]3CC(N4CCOCC4)C3)nc12 ZINC001232221567 1304042590 /nfs/dbraw/zinc/04/25/90/1304042590.db2.gz ITHFCWFKOALFGA-UHFFFAOYSA-N 1 2 334.423 2.299 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000797516997 1304763166 /nfs/dbraw/zinc/76/31/66/1304763166.db2.gz DOKORKPMZLPFJT-UHFFFAOYSA-N 1 2 329.356 2.334 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000797516997 1304763170 /nfs/dbraw/zinc/76/31/70/1304763170.db2.gz DOKORKPMZLPFJT-UHFFFAOYSA-N 1 2 329.356 2.334 20 5 EEBDLO O=C(Nc1ccn2cc[nH+]c2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000798140125 1304926624 /nfs/dbraw/zinc/92/66/24/1304926624.db2.gz LFQMYSUCBGAWJQ-UHFFFAOYSA-N 1 2 327.256 2.403 20 5 EEBDLO C[C@@H]1[C@H](C)C[N@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)[C@H]1C ZINC000841693856 1315599031 /nfs/dbraw/zinc/59/90/31/1315599031.db2.gz WNUZDMMKBFYJJT-UTUOFQBUSA-N 1 2 332.360 2.345 20 5 EEBDLO C[C@@H]1[C@H](C)C[N@@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)[C@H]1C ZINC000841693856 1315599033 /nfs/dbraw/zinc/59/90/33/1315599033.db2.gz WNUZDMMKBFYJJT-UTUOFQBUSA-N 1 2 332.360 2.345 20 5 EEBDLO COC(=O)CC[C@H]1COCC[N@@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254569802 1318124091 /nfs/dbraw/zinc/12/40/91/1318124091.db2.gz LBIMOXQIQWTSLN-ZFWWWQNUSA-N 1 2 336.388 2.180 20 5 EEBDLO COC(=O)CC[C@H]1COCC[N@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254569802 1318124096 /nfs/dbraw/zinc/12/40/96/1318124096.db2.gz LBIMOXQIQWTSLN-ZFWWWQNUSA-N 1 2 336.388 2.180 20 5 EEBDLO COC(=O)CC[C@H]1COCC[N@@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254569800 1318124461 /nfs/dbraw/zinc/12/44/61/1318124461.db2.gz LBIMOXQIQWTSLN-HIFRSBDPSA-N 1 2 336.388 2.180 20 5 EEBDLO COC(=O)CC[C@H]1COCC[N@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254569800 1318124470 /nfs/dbraw/zinc/12/44/70/1318124470.db2.gz LBIMOXQIQWTSLN-HIFRSBDPSA-N 1 2 336.388 2.180 20 5 EEBDLO 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ZINC000853491960 1369340727 /nfs/dbraw/zinc/34/07/27/1369340727.db2.gz WFMMHHXELGDREX-ZDUSSCGKSA-N 1 2 331.376 2.312 20 5 EEBDLO C[N@@H+](C[C@@H]1CCCCO1)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000853491960 1369340732 /nfs/dbraw/zinc/34/07/32/1369340732.db2.gz WFMMHHXELGDREX-ZDUSSCGKSA-N 1 2 331.376 2.312 20 5 EEBDLO CC1(C)OC[C@H](COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)O1 ZINC000835197977 1372602133 /nfs/dbraw/zinc/60/21/33/1372602133.db2.gz TXRCBGFKWJYBAF-LBPRGKRZSA-N 1 2 347.327 2.089 20 5 EEBDLO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000980694594 775261037 /nfs/dbraw/zinc/26/10/37/775261037.db2.gz MFOUDKJEAWBZTP-UHFFFAOYSA-N 1 2 344.371 2.239 20 5 EEBDLO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000980694594 775261045 /nfs/dbraw/zinc/26/10/45/775261045.db2.gz MFOUDKJEAWBZTP-UHFFFAOYSA-N 1 2 344.371 2.239 20 5 EEBDLO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167991352 781479406 /nfs/dbraw/zinc/47/94/06/781479406.db2.gz 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Cc1[nH+]c[nH]c1CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000788293544 807476053 /nfs/dbraw/zinc/47/60/53/807476053.db2.gz PDOSKDKAWLGVAV-UHFFFAOYSA-N 1 2 326.316 2.198 20 5 EEBDLO Cn1c[nH+]cc1CCOC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000789773611 808209963 /nfs/dbraw/zinc/20/99/63/808209963.db2.gz YBXRDAHAUYNMLX-UHFFFAOYSA-N 1 2 344.371 2.328 20 5 EEBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Cc1ccccc1 ZINC000027587794 282246505 /nfs/dbraw/zinc/24/65/05/282246505.db2.gz XIBKBEYLIQRSIT-HNNXBMFYSA-N 1 2 343.383 2.203 20 5 EEBDLO CCC[N@H+](CC(=O)N(C)C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184250191 283085760 /nfs/dbraw/zinc/08/57/60/283085760.db2.gz PDHRSGKOXWOVGT-UHFFFAOYSA-N 1 2 327.356 2.043 20 5 EEBDLO CCC[N@@H+](CC(=O)N(C)C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184250191 283085761 /nfs/dbraw/zinc/08/57/61/283085761.db2.gz PDHRSGKOXWOVGT-UHFFFAOYSA-N 1 2 327.356 2.043 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000073119225 216351744 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/nfs/dbraw/zinc/02/06/11/256020611.db2.gz RNACDYPMCLFQCT-UHFFFAOYSA-N 1 2 344.371 2.158 20 5 EEBDLO COc1cc(N2CC[NH+](Cc3ccncc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000270478972 256139457 /nfs/dbraw/zinc/13/94/57/256139457.db2.gz AIUAJLLOZSRGHI-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO COc1cc(N2CC[NH+](Cc3cccnc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000270573910 256149661 /nfs/dbraw/zinc/14/96/61/256149661.db2.gz PVFAKBDKENCUOX-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO CCOc1cccc(N2CC[C@H]([NH+]3CCN(CC)CC3)C2)c1[N+](=O)[O-] ZINC000273890569 256335882 /nfs/dbraw/zinc/33/58/82/256335882.db2.gz TUCKKJSTDLNKLO-HNNXBMFYSA-N 1 2 348.447 2.210 20 5 EEBDLO Cc1cc(OCC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000377393717 154178167 /nfs/dbraw/zinc/17/81/67/154178167.db2.gz UCWWCFUONHHPJP-ZDUSSCGKSA-N 1 2 344.371 2.032 20 5 EEBDLO CCCCN(CC)C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000066865284 159004040 /nfs/dbraw/zinc/00/40/40/159004040.db2.gz FOBMGTLFWBUZFL-UHFFFAOYSA-N 1 2 348.447 2.365 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCSCC1 ZINC000089979982 159191472 /nfs/dbraw/zinc/19/14/72/159191472.db2.gz ZFTYQIWBBWGTKV-LLVKDONJSA-N 1 2 339.417 2.369 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCSCC1 ZINC000089979982 159191474 /nfs/dbraw/zinc/19/14/74/159191474.db2.gz ZFTYQIWBBWGTKV-LLVKDONJSA-N 1 2 339.417 2.369 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCC1(O)CCC1 ZINC000343142482 161107516 /nfs/dbraw/zinc/10/75/16/161107516.db2.gz NTVKFCAIBVMQSC-UHFFFAOYSA-N 1 2 335.404 2.144 20 5 EEBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000355107247 163083353 /nfs/dbraw/zinc/08/33/53/163083353.db2.gz NLBQGFGJICVURP-YPMHNXCESA-N 1 2 330.344 2.078 20 5 EEBDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000355525202 163220434 /nfs/dbraw/zinc/22/04/34/163220434.db2.gz OIDOQKGOXDQYHQ-SNVBAGLBSA-N 1 2 342.783 2.090 20 5 EEBDLO C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000355525202 163220436 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2.055 20 5 EEBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000275112696 269095743 /nfs/dbraw/zinc/09/57/43/269095743.db2.gz DJFYIHNCVGUBBR-RRFJBIMHSA-N 1 2 330.388 2.167 20 5 EEBDLO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nncn1C ZINC000285232615 274698520 /nfs/dbraw/zinc/69/85/20/274698520.db2.gz BGHIEZDHHKDXCA-CYBMUJFWSA-N 1 2 334.336 2.118 20 5 EEBDLO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1(F)F ZINC000289377880 275112292 /nfs/dbraw/zinc/11/22/92/275112292.db2.gz CAPLEGIIKVLZKZ-LLVKDONJSA-N 1 2 339.342 2.461 20 5 EEBDLO C[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1(F)F ZINC000289377880 275112293 /nfs/dbraw/zinc/11/22/93/275112293.db2.gz CAPLEGIIKVLZKZ-LLVKDONJSA-N 1 2 339.342 2.461 20 5 EEBDLO O=C(NC1CC1)c1ccc(NCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000291274132 275289000 /nfs/dbraw/zinc/28/90/00/275289000.db2.gz FFWZDBSSXXFUOP-UHFFFAOYSA-N 1 2 329.360 2.186 20 5 EEBDLO O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(C[NH+]2CCCC2)on1 ZINC000292091833 275374821 /nfs/dbraw/zinc/37/48/21/275374821.db2.gz IRPWZLVNZYOMJK-UHFFFAOYSA-N 1 2 332.316 2.137 20 5 EEBDLO Cc1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000292865438 275490843 /nfs/dbraw/zinc/49/08/43/275490843.db2.gz VUFRGZSABKWYLZ-UHFFFAOYSA-N 1 2 326.418 2.160 20 5 EEBDLO CCN1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000446332675 279348784 /nfs/dbraw/zinc/34/87/84/279348784.db2.gz QMWCSZVYUWPOIH-CQSZACIVSA-N 1 2 343.387 2.145 20 5 EEBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000159304665 289363334 /nfs/dbraw/zinc/36/33/34/289363334.db2.gz VUPQPQNJYHLGLX-OAHLLOKOSA-N 1 2 347.346 2.472 20 5 EEBDLO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C2CC2)c1 ZINC000284055883 293023574 /nfs/dbraw/zinc/02/35/74/293023574.db2.gz JVCGOYKXFBYHIU-CQSZACIVSA-N 1 2 338.429 2.384 20 5 EEBDLO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C2CC2)c1 ZINC000284055883 293023578 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344.371 2.324 20 5 EEBDLO CC(C)(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000347469372 465041406 /nfs/dbraw/zinc/04/14/06/465041406.db2.gz ZGBUUSSBMBBHHU-GFCCVEGCSA-N 1 2 328.372 2.200 20 5 EEBDLO CC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339259171 465172875 /nfs/dbraw/zinc/17/28/75/465172875.db2.gz WMUOVDLYFXOQEN-JKSUJKDBSA-N 1 2 335.404 2.100 20 5 EEBDLO CC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339259171 465172883 /nfs/dbraw/zinc/17/28/83/465172883.db2.gz WMUOVDLYFXOQEN-JKSUJKDBSA-N 1 2 335.404 2.100 20 5 EEBDLO CCn1nccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000339648295 465415837 /nfs/dbraw/zinc/41/58/37/465415837.db2.gz KWTOSJABUYPNRS-UHFFFAOYSA-N 1 2 326.316 2.249 20 5 EEBDLO CC(C)CNC(=O)NC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153276222 462634111 /nfs/dbraw/zinc/63/41/11/462634111.db2.gz NXYZASYYFYTAES-UHFFFAOYSA-N 1 2 348.403 2.041 20 5 EEBDLO CC(C)CNC(=O)NC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153276222 462634113 /nfs/dbraw/zinc/63/41/13/462634113.db2.gz NXYZASYYFYTAES-UHFFFAOYSA-N 1 2 348.403 2.041 20 5 EEBDLO Cc1cccn2cc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])[nH+]c12 ZINC000128775542 462669156 /nfs/dbraw/zinc/66/91/56/462669156.db2.gz YUFDWJZMDTYHTG-UHFFFAOYSA-N 1 2 346.368 2.029 20 5 EEBDLO C[C@H](CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000153803609 462694253 /nfs/dbraw/zinc/69/42/53/462694253.db2.gz HKLPJMSPWNAAON-OGOUPESXSA-N 1 2 332.335 2.396 20 5 EEBDLO COc1ccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000075556380 462730834 /nfs/dbraw/zinc/73/08/34/462730834.db2.gz QTBPYADZFKIPBD-LBPRGKRZSA-N 1 2 330.344 2.346 20 5 EEBDLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000007436568 462735249 /nfs/dbraw/zinc/73/52/49/462735249.db2.gz OSAQKXFNHITDOJ-STQMWFEESA-N 1 2 349.387 2.197 20 5 EEBDLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 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CCCN(CC(N)=O)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000488740603 468100671 /nfs/dbraw/zinc/10/06/71/468100671.db2.gz ANEISUQEQGFTRD-UHFFFAOYSA-N 1 2 329.360 2.062 20 5 EEBDLO C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000590146263 468218918 /nfs/dbraw/zinc/21/89/18/468218918.db2.gz ACSJOBKSAARJTE-DTORHVGOSA-N 1 2 329.198 2.281 20 5 EEBDLO C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000590146263 468218920 /nfs/dbraw/zinc/21/89/20/468218920.db2.gz ACSJOBKSAARJTE-DTORHVGOSA-N 1 2 329.198 2.281 20 5 EEBDLO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598218089 468795904 /nfs/dbraw/zinc/79/59/04/468795904.db2.gz FOXYDXAKKIPDCV-CYBMUJFWSA-N 1 2 333.388 2.437 20 5 EEBDLO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598218089 468795907 /nfs/dbraw/zinc/79/59/07/468795907.db2.gz FOXYDXAKKIPDCV-CYBMUJFWSA-N 1 2 333.388 2.437 20 5 EEBDLO Cc1noc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000595412290 468843745 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EEBDLO COC(=O)C[C@@H]1COCC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000589208254 469213144 /nfs/dbraw/zinc/21/31/44/469213144.db2.gz CZAOCVHVSKIJJQ-LPDYGMJQSA-N 1 2 334.372 2.262 20 5 EEBDLO COC(=O)C[C@@H]1COCC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000589208254 469213147 /nfs/dbraw/zinc/21/31/47/469213147.db2.gz CZAOCVHVSKIJJQ-LPDYGMJQSA-N 1 2 334.372 2.262 20 5 EEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131775 469893137 /nfs/dbraw/zinc/89/31/37/469893137.db2.gz XYKPINGXRCRURZ-AWEZNQCLSA-N 1 2 344.371 2.424 20 5 EEBDLO O=C(NCC[NH+]1Cc2ccccc2C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442614 469927349 /nfs/dbraw/zinc/92/73/49/469927349.db2.gz JIWOKKUREIJWPO-UHFFFAOYSA-N 1 2 329.331 2.480 20 5 EEBDLO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000179460747 533885011 /nfs/dbraw/zinc/88/50/11/533885011.db2.gz ITQILIWYHFNMLO-UHFFFAOYSA-N 1 2 347.371 2.406 20 5 EEBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586008 577463341 /nfs/dbraw/zinc/46/33/41/577463341.db2.gz HHZZFHXWDGDWMU-GJZGRUSLSA-N 1 2 336.388 2.434 20 5 EEBDLO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776586008 577463342 /nfs/dbraw/zinc/46/33/42/577463342.db2.gz HHZZFHXWDGDWMU-GJZGRUSLSA-N 1 2 336.388 2.434 20 5 EEBDLO Cc1nn(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000776766906 577467463 /nfs/dbraw/zinc/46/74/63/577467463.db2.gz MXBOXAVDXHIFNA-INIZCTEOSA-N 1 2 334.351 2.098 20 5 EEBDLO Cc1nn(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000776766906 577467464 /nfs/dbraw/zinc/46/74/64/577467464.db2.gz MXBOXAVDXHIFNA-INIZCTEOSA-N 1 2 334.351 2.098 20 5 EEBDLO CNC(=O)CCC[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769506426 577579347 /nfs/dbraw/zinc/57/93/47/577579347.db2.gz RMMAOZAUPNCFSI-UHFFFAOYSA-N 1 2 344.209 2.315 20 5 EEBDLO CNC(=O)CCC[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769506426 577579348 /nfs/dbraw/zinc/57/93/48/577579348.db2.gz RMMAOZAUPNCFSI-UHFFFAOYSA-N 1 2 344.209 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206143933 /nfs/dbraw/zinc/14/39/33/206143933.db2.gz XVRONZWCLNCVSX-UHFFFAOYSA-N 1 2 335.795 2.267 20 5 EEBDLO Cn1cc(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)cn1 ZINC000174922994 207073129 /nfs/dbraw/zinc/07/31/29/207073129.db2.gz FFGJRVWHBFXHPD-UHFFFAOYSA-N 1 2 335.795 2.304 20 5 EEBDLO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000176737858 207256545 /nfs/dbraw/zinc/25/65/45/207256545.db2.gz QTEYGVMNZLQTBD-UHFFFAOYSA-N 1 2 333.369 2.304 20 5 EEBDLO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000267914791 256095957 /nfs/dbraw/zinc/09/59/57/256095957.db2.gz GEMCXEUDWHCDFB-CYBMUJFWSA-N 1 2 348.380 2.222 20 5 EEBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273746413 256323753 /nfs/dbraw/zinc/32/37/53/256323753.db2.gz MRXSAIABQICTKS-HWKANZROSA-N 1 2 343.362 2.359 20 5 EEBDLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000191854079 533439383 /nfs/dbraw/zinc/43/93/83/533439383.db2.gz BSALJAOSBZBUJB-AGIUHOORSA-N 1 2 349.387 2.053 20 5 EEBDLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000191854079 533439389 /nfs/dbraw/zinc/43/93/89/533439389.db2.gz BSALJAOSBZBUJB-AGIUHOORSA-N 1 2 349.387 2.053 20 5 EEBDLO Cn1c(C(=O)NCc2cccc(-c3[nH]cc[nH+]3)c2)ccc1[N+](=O)[O-] ZINC000342021336 161032724 /nfs/dbraw/zinc/03/27/24/161032724.db2.gz IRYCCYXXCXMSTO-UHFFFAOYSA-N 1 2 325.328 2.253 20 5 EEBDLO CS(=O)(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000345445931 161302528 /nfs/dbraw/zinc/30/25/28/161302528.db2.gz UJIXKACPUVPBTL-UHFFFAOYSA-N 1 2 332.428 2.411 20 5 EEBDLO COc1cc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000346016131 161350047 /nfs/dbraw/zinc/35/00/47/161350047.db2.gz RNUWWBJUHJIDFM-AWEZNQCLSA-N 1 2 343.339 2.292 20 5 EEBDLO C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCOC1 ZINC000357900770 163784280 /nfs/dbraw/zinc/78/42/80/163784280.db2.gz WYLXNHFYNQWTOI-MRXNPFEDSA-N 1 2 330.344 2.079 20 5 EEBDLO O=C(NCc1c[nH+]c[nH]1)c1ccc([N+](=O)[O-])cc1Br 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KMLYMUSGSHYPCF-UHFFFAOYSA-N 1 2 333.388 2.060 20 5 EEBDLO CN(C(=O)C[N@H+]1CCOCC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000375790283 167194912 /nfs/dbraw/zinc/19/49/12/167194912.db2.gz KMLYMUSGSHYPCF-UHFFFAOYSA-N 1 2 333.388 2.060 20 5 EEBDLO CC[C@H](C(=O)OC)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000352722292 287524633 /nfs/dbraw/zinc/52/46/33/287524633.db2.gz AONSEWRCLYVVLS-DZGCQCFKSA-N 1 2 335.404 2.225 20 5 EEBDLO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000274952670 269078924 /nfs/dbraw/zinc/07/89/24/269078924.db2.gz CHGPBACLHYIKBX-JTQLQIEISA-N 1 2 346.391 2.485 20 5 EEBDLO Cc1cc(OCC(=O)NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000280435799 269362377 /nfs/dbraw/zinc/36/23/77/269362377.db2.gz AMDONQCFKVWBFG-UHFFFAOYSA-N 1 2 344.371 2.295 20 5 EEBDLO Cc1cc(CN[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000284521174 269604470 /nfs/dbraw/zinc/60/44/70/269604470.db2.gz ZDEBNMJPAGJPTA-INIZCTEOSA-N 1 2 340.387 2.249 20 5 EEBDLO CCCCCNC(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047743058 273930519 /nfs/dbraw/zinc/93/05/19/273930519.db2.gz XHJGKYDEBQKSNF-UHFFFAOYSA-N 1 2 334.420 2.023 20 5 EEBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000290877865 275248469 /nfs/dbraw/zinc/24/84/69/275248469.db2.gz BOECEZUTJOGQHK-UHFFFAOYSA-N 1 2 327.344 2.022 20 5 EEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291600508 275321541 /nfs/dbraw/zinc/32/15/41/275321541.db2.gz IPCGFZLLPUFSDD-LBPRGKRZSA-N 1 2 331.376 2.414 20 5 EEBDLO CCC(=O)c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000366424603 276205295 /nfs/dbraw/zinc/20/52/95/276205295.db2.gz AFHVADWFLJDLJF-AWEZNQCLSA-N 1 2 333.388 2.098 20 5 EEBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)o1 ZINC000294002790 293347746 /nfs/dbraw/zinc/34/77/46/293347746.db2.gz MILOXIDHJNCKPH-UHFFFAOYSA-N 1 2 329.356 2.454 20 5 EEBDLO Cc1[nH+]c2cc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)ccc2n1C1CC1 ZINC000298560462 294528788 /nfs/dbraw/zinc/52/87/88/294528788.db2.gz ZGJNKWSIRFGQGI-UHFFFAOYSA-N 1 2 340.343 2.241 20 5 EEBDLO Cc1c(NC(=O)NC(C)(C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000416741240 313306047 /nfs/dbraw/zinc/30/60/47/313306047.db2.gz WBEIRTDCZZSNPY-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)nc2c1 ZINC000444621925 315312202 /nfs/dbraw/zinc/31/22/02/315312202.db2.gz DJWSJIONDUIIHS-AAEUAGOBSA-N 1 2 344.293 2.359 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)nc2c1 ZINC000444621925 315312204 /nfs/dbraw/zinc/31/22/04/315312204.db2.gz DJWSJIONDUIIHS-AAEUAGOBSA-N 1 2 344.293 2.359 20 5 EEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000451976521 315472071 /nfs/dbraw/zinc/47/20/71/315472071.db2.gz YLVPQWQYXXZRGP-JTQLQIEISA-N 1 2 347.462 2.070 20 5 EEBDLO Cn1cc(C(C)(C)[NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cn1 ZINC000547413052 318286136 /nfs/dbraw/zinc/28/61/36/318286136.db2.gz IPHBGKQYXBCMGL-UHFFFAOYSA-N 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VBRSBLLFZCXBEQ-OAHLLOKOSA-N 1 2 332.385 2.456 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000369319756 166235850 /nfs/dbraw/zinc/23/58/50/166235850.db2.gz QOJTXDQLGYMHLY-NSHDSACASA-N 1 2 332.335 2.487 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000374017386 167004732 /nfs/dbraw/zinc/00/47/32/167004732.db2.gz KQDOIZAMQRJDSZ-SUMWQHHRSA-N 1 2 336.388 2.373 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000374017386 167004734 /nfs/dbraw/zinc/00/47/34/167004734.db2.gz KQDOIZAMQRJDSZ-SUMWQHHRSA-N 1 2 336.388 2.373 20 5 EEBDLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc([N+](=O)[O-])c1 ZINC000374390883 167031806 /nfs/dbraw/zinc/03/18/06/167031806.db2.gz WOLDMQGXVTWPCT-INIZCTEOSA-N 1 2 326.356 2.085 20 5 EEBDLO Cn1cc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)c2ccc(F)cc2)cn1 ZINC000375389985 167124210 /nfs/dbraw/zinc/12/42/10/167124210.db2.gz IDCMOSQDOVNWSH-OAHLLOKOSA-N 1 2 344.350 2.080 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000280133103 269330912 /nfs/dbraw/zinc/33/09/12/269330912.db2.gz CKTUTQDJYPJTLM-SUMWQHHRSA-N 1 2 336.388 2.373 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000280133103 269330914 /nfs/dbraw/zinc/33/09/14/269330914.db2.gz CKTUTQDJYPJTLM-SUMWQHHRSA-N 1 2 336.388 2.373 20 5 EEBDLO CCOc1cccc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286491592 274877652 /nfs/dbraw/zinc/87/76/52/274877652.db2.gz XITBTCSXQHRYMS-KGLIPLIRSA-N 1 2 335.404 2.293 20 5 EEBDLO CS(=O)(=O)CC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000292702791 275467286 /nfs/dbraw/zinc/46/72/86/275467286.db2.gz CMCOKIUBQBPCOZ-GQCTYLIASA-N 1 2 338.429 2.365 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC[C@@H](CO)CC1 ZINC000338827656 280364101 /nfs/dbraw/zinc/36/41/01/280364101.db2.gz HXVBDMNAAADEON-OAHLLOKOSA-N 1 2 349.431 2.026 20 5 EEBDLO COc1cc[nH+]cc1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000292886750 293069772 /nfs/dbraw/zinc/06/97/72/293069772.db2.gz ZMMKAANTXFLHSA-UHFFFAOYSA-N 1 2 328.328 2.495 20 5 EEBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1csnn1 ZINC000412047934 312606193 /nfs/dbraw/zinc/60/61/93/312606193.db2.gz WKSYANNZABUXAQ-SSDOTTSWSA-N 1 2 341.780 2.389 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1F ZINC000412393633 312658758 /nfs/dbraw/zinc/65/87/58/312658758.db2.gz DMOVALZFFCQANX-KOLCDFICSA-N 1 2 348.334 2.304 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000430208412 314504601 /nfs/dbraw/zinc/50/46/01/314504601.db2.gz OTSBSFAFIPNOFC-UHFFFAOYSA-N 1 2 342.399 2.316 20 5 EEBDLO C[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](c2ccccc2)C1 ZINC000436901717 315011424 /nfs/dbraw/zinc/01/14/24/315011424.db2.gz RRSMCOQZQAQIGR-HOTGVXAUSA-N 1 2 341.367 2.128 20 5 EEBDLO C[N@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](c2ccccc2)C1 ZINC000436901717 315011427 /nfs/dbraw/zinc/01/14/27/315011427.db2.gz RRSMCOQZQAQIGR-HOTGVXAUSA-N 1 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330.344 2.103 20 5 EEBDLO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000119818039 462930358 /nfs/dbraw/zinc/93/03/58/462930358.db2.gz GJTONWBEAZITLO-UHFFFAOYSA-N 1 2 328.372 2.475 20 5 EEBDLO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000119818039 462930364 /nfs/dbraw/zinc/93/03/64/462930364.db2.gz GJTONWBEAZITLO-UHFFFAOYSA-N 1 2 328.372 2.475 20 5 EEBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000157665861 463154615 /nfs/dbraw/zinc/15/46/15/463154615.db2.gz BCGRUGHANSRQBS-GFCCVEGCSA-N 1 2 341.371 2.040 20 5 EEBDLO Cc1ocnc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000157697160 463158578 /nfs/dbraw/zinc/15/85/78/463158578.db2.gz VDWSUEXXUFCIIC-UHFFFAOYSA-N 1 2 327.300 2.007 20 5 EEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000053472869 463167668 /nfs/dbraw/zinc/16/76/68/463167668.db2.gz HWNMQLZXRXYPBV-CQSZACIVSA-N 1 2 325.328 2.176 20 5 EEBDLO CCc1cc(NC[C@@](C)(O)COC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000069799105 463327612 /nfs/dbraw/zinc/32/76/12/463327612.db2.gz YORMODIDQHLGMX-QGZVFWFLSA-N 1 2 346.387 2.424 20 5 EEBDLO CCn1cc(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000072988902 463571548 /nfs/dbraw/zinc/57/15/48/463571548.db2.gz BOEPNKQKEUOLFW-MRXNPFEDSA-N 1 2 343.387 2.049 20 5 EEBDLO CCn1cc(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000072988902 463571553 /nfs/dbraw/zinc/57/15/53/463571553.db2.gz BOEPNKQKEUOLFW-MRXNPFEDSA-N 1 2 343.387 2.049 20 5 EEBDLO Cc1cc(N[C@@H]2C(=O)NCC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000193520823 463715741 /nfs/dbraw/zinc/71/57/41/463715741.db2.gz WCTGENWMCCMVHZ-BMIGLBTASA-N 1 2 341.371 2.297 20 5 EEBDLO Cc1cc(N[C@H]2C(=O)NCC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000193520838 463715862 /nfs/dbraw/zinc/71/58/62/463715862.db2.gz WCTGENWMCCMVHZ-ZUZCIYMTSA-N 1 2 341.371 2.297 20 5 EEBDLO CNc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000522721896 468374743 /nfs/dbraw/zinc/37/47/43/468374743.db2.gz NMTJYUMPYXDYLO-UHFFFAOYSA-N 1 2 329.360 2.379 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000194386149 463851274 /nfs/dbraw/zinc/85/12/74/463851274.db2.gz PSUXOEVGDSCQCY-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO O=[N+]([O-])c1cc(Cl)cnc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000178833443 463987629 /nfs/dbraw/zinc/98/76/29/463987629.db2.gz AJWIWUBPWMUEGF-UHFFFAOYSA-N 1 2 349.778 2.487 20 5 EEBDLO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc([N+](=O)[O-])cc1F ZINC000279652837 464120308 /nfs/dbraw/zinc/12/03/08/464120308.db2.gz BQKMILXDBBHWEV-UHFFFAOYSA-N 1 2 325.384 2.277 20 5 EEBDLO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc([N+](=O)[O-])cc1F ZINC000279652837 464120314 /nfs/dbraw/zinc/12/03/14/464120314.db2.gz BQKMILXDBBHWEV-UHFFFAOYSA-N 1 2 325.384 2.277 20 5 EEBDLO NC(=O)c1csc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000179535152 464153946 /nfs/dbraw/zinc/15/39/46/464153946.db2.gz UHYAEQPEBSTVBW-UHFFFAOYSA-N 1 2 346.412 2.077 20 5 EEBDLO Nc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000181311774 464470108 /nfs/dbraw/zinc/47/01/08/464470108.db2.gz IENVLUYKKGHPBM-UHFFFAOYSA-N 1 2 337.339 2.293 20 5 EEBDLO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCOc3cc[nH+]cc32)cc1C ZINC000175662957 464597220 /nfs/dbraw/zinc/59/72/20/464597220.db2.gz NJXUGJLMBCBUHS-UHFFFAOYSA-N 1 2 349.368 2.194 20 5 EEBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](c2ccccc2)CO1 ZINC000246602666 464603579 /nfs/dbraw/zinc/60/35/79/464603579.db2.gz OYUNNJOIJYZNGK-RHSMWYFYSA-N 1 2 343.383 2.219 20 5 EEBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](c2ccccc2)CO1 ZINC000246602666 464603585 /nfs/dbraw/zinc/60/35/85/464603585.db2.gz OYUNNJOIJYZNGK-RHSMWYFYSA-N 1 2 343.383 2.219 20 5 EEBDLO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285769214 464688926 /nfs/dbraw/zinc/68/89/26/464688926.db2.gz DJMRDGZIUHNUGZ-WCQYABFASA-N 1 2 341.358 2.168 20 5 EEBDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285769214 464688934 /nfs/dbraw/zinc/68/89/34/464688934.db2.gz DJMRDGZIUHNUGZ-WCQYABFASA-N 1 2 341.358 2.168 20 5 EEBDLO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285769214 464688938 /nfs/dbraw/zinc/68/89/38/464688938.db2.gz DJMRDGZIUHNUGZ-WCQYABFASA-N 1 2 341.358 2.168 20 5 EEBDLO O=C1CC2(CN1)CCN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000591150857 468416506 /nfs/dbraw/zinc/41/65/06/468416506.db2.gz HAVZFOJXKIATAY-UHFFFAOYSA-N 1 2 326.356 2.250 20 5 EEBDLO CCCCC[N@H+](CC(N)=O)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000183040694 464782567 /nfs/dbraw/zinc/78/25/67/464782567.db2.gz FCPRMKKIRKFKHR-UHFFFAOYSA-N 1 2 347.375 2.122 20 5 EEBDLO CCCCC[N@@H+](CC(N)=O)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000183040694 464782573 /nfs/dbraw/zinc/78/25/73/464782573.db2.gz FCPRMKKIRKFKHR-UHFFFAOYSA-N 1 2 347.375 2.122 20 5 EEBDLO C[C@@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)NC(=O)OC(C)(C)C ZINC000492437761 468424396 /nfs/dbraw/zinc/42/43/96/468424396.db2.gz RMKCXSDYIPGOOH-NSHDSACASA-N 1 2 336.392 2.261 20 5 EEBDLO C[C@@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)NC(=O)OC(C)(C)C ZINC000492437761 468424403 /nfs/dbraw/zinc/42/44/03/468424403.db2.gz RMKCXSDYIPGOOH-NSHDSACASA-N 1 2 336.392 2.261 20 5 EEBDLO COC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccco1 ZINC000184534004 464991926 /nfs/dbraw/zinc/99/19/26/464991926.db2.gz MYBJISLAXXXTJP-CQSZACIVSA-N 1 2 333.344 2.412 20 5 EEBDLO Cc1cc(NC[C@](C)(O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000351841464 465392290 /nfs/dbraw/zinc/39/22/90/465392290.db2.gz SKSDHSYGTMBKBQ-KRWDZBQOSA-N 1 2 328.372 2.355 20 5 EEBDLO CNc1c(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)cccc1[N+](=O)[O-] ZINC000360952098 465658542 /nfs/dbraw/zinc/65/85/42/465658542.db2.gz WNUHQBUDXHICHW-LBPRGKRZSA-N 1 2 343.387 2.449 20 5 EEBDLO CNc1ccc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000569194800 468452642 /nfs/dbraw/zinc/45/26/42/468452642.db2.gz CNUIMLDSKRXEAA-UHFFFAOYSA-N 1 2 335.389 2.407 20 5 EEBDLO C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000366753304 465916570 /nfs/dbraw/zinc/91/65/70/465916570.db2.gz BJSCBYXKJMTDTB-INIZCTEOSA-N 1 2 347.396 2.060 20 5 EEBDLO C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000366753304 465916577 /nfs/dbraw/zinc/91/65/77/465916577.db2.gz BJSCBYXKJMTDTB-INIZCTEOSA-N 1 2 347.396 2.060 20 5 EEBDLO Cc1n[nH]c(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000338257960 465953208 /nfs/dbraw/zinc/95/32/08/465953208.db2.gz NJXIMYIBDOSQKA-GFCCVEGCSA-N 1 2 349.778 2.066 20 5 EEBDLO Cc1[nH]nc(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000338257960 465953214 /nfs/dbraw/zinc/95/32/14/465953214.db2.gz NJXIMYIBDOSQKA-GFCCVEGCSA-N 1 2 349.778 2.066 20 5 EEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000362919961 466123141 /nfs/dbraw/zinc/12/31/41/466123141.db2.gz CERKIFOBAQORCR-UHFFFAOYSA-N 1 2 337.339 2.034 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000372250494 466250332 /nfs/dbraw/zinc/25/03/32/466250332.db2.gz SYUPYULJYAZBIN-GFCCVEGCSA-N 1 2 344.371 2.416 20 5 EEBDLO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332054212 466364812 /nfs/dbraw/zinc/36/48/12/466364812.db2.gz VDWQUEVSBLSTPE-YOEHRIQHSA-N 1 2 346.431 2.482 20 5 EEBDLO C[C@H]1CN2CCCC[C@H]2C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000332054212 466364821 /nfs/dbraw/zinc/36/48/21/466364821.db2.gz VDWQUEVSBLSTPE-YOEHRIQHSA-N 1 2 346.431 2.482 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000370143891 466775273 /nfs/dbraw/zinc/77/52/73/466775273.db2.gz ZUKTXZWLVOIKIJ-SECBINFHSA-N 1 2 336.298 2.236 20 5 EEBDLO CC(C)N1C(=O)C[C@@H](Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1=O ZINC000413164496 467182010 /nfs/dbraw/zinc/18/20/10/467182010.db2.gz CRLXPKUZWQAWSA-CYBMUJFWSA-N 1 2 328.328 2.091 20 5 EEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CCC2 ZINC000378241120 467239484 /nfs/dbraw/zinc/23/94/84/467239484.db2.gz DEGLHJPPTLCDIH-SNVBAGLBSA-N 1 2 347.350 2.128 20 5 EEBDLO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436671661 467549859 /nfs/dbraw/zinc/54/98/59/467549859.db2.gz BDARYLYVCOQSGK-CHWSQXEVSA-N 1 2 335.404 2.398 20 5 EEBDLO CC(C)(C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1)C(N)=O ZINC000449411957 467640478 /nfs/dbraw/zinc/64/04/78/467640478.db2.gz KXYZWTXIGQYFAN-LBPRGKRZSA-N 1 2 335.404 2.414 20 5 EEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449655721 467678703 /nfs/dbraw/zinc/67/87/03/467678703.db2.gz HPRMABNKPJWNJO-JTQLQIEISA-N 1 2 347.749 2.152 20 5 EEBDLO CCN(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450027448 467764180 /nfs/dbraw/zinc/76/41/80/467764180.db2.gz LKFZVRDVLRCOPY-UHFFFAOYSA-N 1 2 332.360 2.014 20 5 EEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000450830856 467915695 /nfs/dbraw/zinc/91/56/95/467915695.db2.gz OREUJUQBKJUMRK-SNVBAGLBSA-N 1 2 338.389 2.388 20 5 EEBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)c([N+](=O)[O-])c1 ZINC000459794522 467965127 /nfs/dbraw/zinc/96/51/27/467965127.db2.gz PPYHEWMCCDBBTB-GHMZBOCLSA-N 1 2 347.375 2.015 20 5 EEBDLO C[C@H]1CC(=O)NCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590169343 468221064 /nfs/dbraw/zinc/22/10/64/468221064.db2.gz RYIROBSSZIWJQO-VIFPVBQESA-N 1 2 331.294 2.324 20 5 EEBDLO C[C@H]1CC(=O)NCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590169343 468221071 /nfs/dbraw/zinc/22/10/71/468221071.db2.gz RYIROBSSZIWJQO-VIFPVBQESA-N 1 2 331.294 2.324 20 5 EEBDLO CC(C)Oc1nc(N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000594568641 468623194 /nfs/dbraw/zinc/62/31/94/468623194.db2.gz BEAZGRFXEHQUKN-ZDUSSCGKSA-N 1 2 343.387 2.863 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000595028587 468746154 /nfs/dbraw/zinc/74/61/54/468746154.db2.gz VFCSSDRKIICPLC-NSHDSACASA-N 1 2 331.376 2.310 20 5 EEBDLO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598218090 468796155 /nfs/dbraw/zinc/79/61/55/468796155.db2.gz FOXYDXAKKIPDCV-ZDUSSCGKSA-N 1 2 333.388 2.437 20 5 EEBDLO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598218090 468796158 /nfs/dbraw/zinc/79/61/58/468796158.db2.gz FOXYDXAKKIPDCV-ZDUSSCGKSA-N 1 2 333.388 2.437 20 5 EEBDLO CC[C@@H](C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000592872982 468811673 /nfs/dbraw/zinc/81/16/73/468811673.db2.gz NQWICFUURMGQAQ-OCCSQVGLSA-N 1 2 346.387 2.307 20 5 EEBDLO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000595399749 468839682 /nfs/dbraw/zinc/83/96/82/468839682.db2.gz WWICIFDTXHIQHD-UHFFFAOYSA-N 1 2 330.363 2.447 20 5 EEBDLO Cc1ccc(S(=O)(=O)N2CCOc3cc[nH+]cc32)c(C)c1[N+](=O)[O-] ZINC000598610140 468931857 /nfs/dbraw/zinc/93/18/57/468931857.db2.gz YFWPZIQWQNEIEK-UHFFFAOYSA-N 1 2 349.368 2.194 20 5 EEBDLO C[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@]1(C)CO ZINC000595880783 469061772 /nfs/dbraw/zinc/06/17/72/469061772.db2.gz ZJIRRMJKTARTAK-BONVTDFDSA-N 1 2 341.795 2.137 20 5 EEBDLO C[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@]1(C)CO ZINC000595880783 469061775 /nfs/dbraw/zinc/06/17/75/469061775.db2.gz ZJIRRMJKTARTAK-BONVTDFDSA-N 1 2 341.795 2.137 20 5 EEBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000598951183 469064518 /nfs/dbraw/zinc/06/45/18/469064518.db2.gz YHNKAZCHGWAXLH-JTQLQIEISA-N 1 2 325.328 2.017 20 5 EEBDLO CCOc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000595891782 469067091 /nfs/dbraw/zinc/06/70/91/469067091.db2.gz OHLLNCUXXUTKCA-UHFFFAOYSA-N 1 2 343.387 2.106 20 5 EEBDLO C[C@H](O)C[C@H]1CCCN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000573289450 469098800 /nfs/dbraw/zinc/09/88/00/469098800.db2.gz PGWZEESCANQGAN-GOEBONIOSA-N 1 2 349.431 2.167 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CCCCO1 ZINC000619153427 469538535 /nfs/dbraw/zinc/53/85/35/469538535.db2.gz MLIWABOXMQHCES-OAHLLOKOSA-N 1 2 335.404 2.408 20 5 EEBDLO O=c1[nH]cnc2cc(N3CCC[C@H](n4cc[nH+]c4)C3)c([N+](=O)[O-])cc12 ZINC000610276457 469998590 /nfs/dbraw/zinc/99/85/90/469998590.db2.gz XRJQSZYAILGZQL-NSHDSACASA-N 1 2 340.343 2.282 20 5 EEBDLO C[NH+]1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)CC1 ZINC000374151095 485662749 /nfs/dbraw/zinc/66/27/49/485662749.db2.gz KOYANWARJGGUOG-UHFFFAOYSA-N 1 2 333.388 2.248 20 5 EEBDLO CC[N@@H+]1CCCC[C@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000129192552 529015698 /nfs/dbraw/zinc/01/56/98/529015698.db2.gz UWNXXPIFAZWTFN-JTQLQIEISA-N 1 2 347.462 2.346 20 5 EEBDLO CC[N@H+]1CCCC[C@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000129192552 529015703 /nfs/dbraw/zinc/01/57/03/529015703.db2.gz UWNXXPIFAZWTFN-JTQLQIEISA-N 1 2 347.462 2.346 20 5 EEBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000727492867 576431087 /nfs/dbraw/zinc/43/10/87/576431087.db2.gz DXKDLXHMBLQUOA-HNNXBMFYSA-N 1 2 346.387 2.401 20 5 EEBDLO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH]1 ZINC000774911791 577423067 /nfs/dbraw/zinc/42/30/67/577423067.db2.gz KCLZLDAIGFWOQT-LBPRGKRZSA-N 1 2 346.347 2.309 20 5 EEBDLO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH]1 ZINC000774911791 577423069 /nfs/dbraw/zinc/42/30/69/577423069.db2.gz KCLZLDAIGFWOQT-LBPRGKRZSA-N 1 2 346.347 2.309 20 5 EEBDLO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000774911791 577423071 /nfs/dbraw/zinc/42/30/71/577423071.db2.gz KCLZLDAIGFWOQT-LBPRGKRZSA-N 1 2 346.347 2.309 20 5 EEBDLO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000774911791 577423072 /nfs/dbraw/zinc/42/30/72/577423072.db2.gz KCLZLDAIGFWOQT-LBPRGKRZSA-N 1 2 346.347 2.309 20 5 EEBDLO Cc1nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n[nH]1 ZINC000774911791 577423074 /nfs/dbraw/zinc/42/30/74/577423074.db2.gz KCLZLDAIGFWOQT-LBPRGKRZSA-N 1 2 346.347 2.309 20 5 EEBDLO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n[nH]1 ZINC000774911791 577423075 /nfs/dbraw/zinc/42/30/75/577423075.db2.gz KCLZLDAIGFWOQT-LBPRGKRZSA-N 1 2 346.347 2.309 20 5 EEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000777553870 577481330 /nfs/dbraw/zinc/48/13/30/577481330.db2.gz UUAJLRWUUYCURP-CQSZACIVSA-N 1 2 347.371 2.351 20 5 EEBDLO O=c1oc2ccc([N+](=O)[O-])cc2n1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000777553870 577481331 /nfs/dbraw/zinc/48/13/31/577481331.db2.gz UUAJLRWUUYCURP-CQSZACIVSA-N 1 2 347.371 2.351 20 5 EEBDLO Cc1nn(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765083921 577494521 /nfs/dbraw/zinc/49/45/21/577494521.db2.gz VTOXIUZPVMRLDS-DLBZAZTESA-N 1 2 346.387 2.090 20 5 EEBDLO Cc1nn(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000765083921 577494522 /nfs/dbraw/zinc/49/45/22/577494522.db2.gz VTOXIUZPVMRLDS-DLBZAZTESA-N 1 2 346.387 2.090 20 5 EEBDLO COc1cccc(C(=O)OCc2cc[nH+]c(N(C)C)c2)c1[N+](=O)[O-] ZINC000769607270 577581268 /nfs/dbraw/zinc/58/12/68/577581268.db2.gz 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ZZGMBKUQDLYBOU-RULNRJAQSA-N 1 2 341.795 2.278 20 5 EEBDLO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)[NH+]2CCOCC2)cc1 ZINC000273620287 256312456 /nfs/dbraw/zinc/31/24/56/256312456.db2.gz OLLIXIVVLKPGHV-INIZCTEOSA-N 1 2 343.387 2.179 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000274182370 256361759 /nfs/dbraw/zinc/36/17/59/256361759.db2.gz PBZDNYJKDBACIS-TZMCWYRMSA-N 1 2 326.418 2.473 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000274182370 256361760 /nfs/dbraw/zinc/36/17/60/256361760.db2.gz PBZDNYJKDBACIS-TZMCWYRMSA-N 1 2 326.418 2.473 20 5 EEBDLO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000191854090 533439830 /nfs/dbraw/zinc/43/98/30/533439830.db2.gz BSALJAOSBZBUJB-AVGNSLFASA-N 1 2 349.387 2.053 20 5 EEBDLO COC(=O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000191854090 533439835 /nfs/dbraw/zinc/43/98/35/533439835.db2.gz BSALJAOSBZBUJB-AVGNSLFASA-N 1 2 349.387 2.053 20 5 EEBDLO O=C(NCCn1cc[nH+]c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125224422 292294880 /nfs/dbraw/zinc/29/48/80/292294880.db2.gz PNVJZRMRLSWCLY-UHFFFAOYSA-N 1 2 328.250 2.240 20 5 EEBDLO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187557257 160105341 /nfs/dbraw/zinc/10/53/41/160105341.db2.gz TVTCSGVNLOQQHL-UHFFFAOYSA-N 1 2 343.274 2.273 20 5 EEBDLO Cc1cc(CN[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000342845682 161095232 /nfs/dbraw/zinc/09/52/32/161095232.db2.gz KCYZDOUTZJNQBS-MRXNPFEDSA-N 1 2 340.387 2.249 20 5 EEBDLO COC(=O)c1cc(C)nc(N[C@@H](c2[nH+]ccn2C)C2CC2)c1[N+](=O)[O-] ZINC000343279962 161119961 /nfs/dbraw/zinc/11/99/61/161119961.db2.gz YNNRVGKEHFZYRM-GFCCVEGCSA-N 1 2 345.359 2.382 20 5 EEBDLO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000345257769 161286041 /nfs/dbraw/zinc/28/60/41/161286041.db2.gz BGSNWAZFEZBTHJ-OAHLLOKOSA-N 1 2 342.355 2.353 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352408535 162125930 /nfs/dbraw/zinc/12/59/30/162125930.db2.gz VPDQFESSDDDFNO-NSHDSACASA-N 1 2 329.347 2.026 20 5 EEBDLO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)c1c(F)cccc1F ZINC000360050711 164223585 /nfs/dbraw/zinc/22/35/85/164223585.db2.gz BHVVIUULAYNTHK-CYBMUJFWSA-N 1 2 338.314 2.234 20 5 EEBDLO CCn1ncnc1CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000360088315 164230015 /nfs/dbraw/zinc/23/00/15/164230015.db2.gz NNRUXMVUGFDFJK-UHFFFAOYSA-N 1 2 339.359 2.006 20 5 EEBDLO CCc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000367083899 165908442 /nfs/dbraw/zinc/90/84/42/165908442.db2.gz JRMMAGCEAAXXAD-INIZCTEOSA-N 1 2 340.383 2.339 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000368848543 166138127 /nfs/dbraw/zinc/13/81/27/166138127.db2.gz XUHFRTCRKLSOLD-UHFFFAOYSA-N 1 2 349.387 2.044 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000368848543 166138130 /nfs/dbraw/zinc/13/81/30/166138130.db2.gz XUHFRTCRKLSOLD-UHFFFAOYSA-N 1 2 349.387 2.044 20 5 EEBDLO O=C(NCC[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000182843333 274013201 /nfs/dbraw/zinc/01/32/01/274013201.db2.gz PCFRDEMGIBORRW-CQSZACIVSA-N 1 2 344.371 2.470 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000278471221 275035303 /nfs/dbraw/zinc/03/53/03/275035303.db2.gz HDZPQJPRAWNVLE-UHFFFAOYSA-N 1 2 349.265 2.392 20 5 EEBDLO CC(C)(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000339659500 278272726 /nfs/dbraw/zinc/27/27/26/278272726.db2.gz GEKBBAOEZXGQGZ-UHFFFAOYSA-N 1 2 349.431 2.099 20 5 EEBDLO CC(C)(C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000339659500 278272728 /nfs/dbraw/zinc/27/27/28/278272728.db2.gz GEKBBAOEZXGQGZ-UHFFFAOYSA-N 1 2 349.431 2.099 20 5 EEBDLO Cc1cccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000016636962 281190564 /nfs/dbraw/zinc/19/05/64/281190564.db2.gz ODEKXBOYQAKQEX-UHFFFAOYSA-N 1 2 326.356 2.261 20 5 EEBDLO C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000295337520 293688511 /nfs/dbraw/zinc/68/85/11/293688511.db2.gz UPSBPUKXWMLJLT-GHMZBOCLSA-N 1 2 341.795 2.087 20 5 EEBDLO Cn1c2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2[nH+]c1C1CC1 ZINC000298532556 294521639 /nfs/dbraw/zinc/52/16/39/294521639.db2.gz VUBAVAVDIJKPRJ-UHFFFAOYSA-N 1 2 340.343 2.012 20 5 EEBDLO C[N@@H+]1CCO[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000351235190 312374848 /nfs/dbraw/zinc/37/48/48/312374848.db2.gz QVDVOPQPJOKJKG-AWEZNQCLSA-N 1 2 343.343 2.053 20 5 EEBDLO C[N@H+]1CCO[C@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000351235190 312374850 /nfs/dbraw/zinc/37/48/50/312374850.db2.gz QVDVOPQPJOKJKG-AWEZNQCLSA-N 1 2 343.343 2.053 20 5 EEBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2csnn2)cccc1[N+](=O)[O-] ZINC000412044221 312604726 /nfs/dbraw/zinc/60/47/26/312604726.db2.gz QJWLNGLRIJEGLC-VHSXEESVSA-N 1 2 335.389 2.433 20 5 EEBDLO C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CS1 ZINC000412574734 312689020 /nfs/dbraw/zinc/68/90/20/312689020.db2.gz OKXCALVDZVNPFC-PWSUYJOCSA-N 1 2 332.385 2.404 20 5 EEBDLO C[C@H]1CCC[C@@]1(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452162976 315506405 /nfs/dbraw/zinc/50/64/05/315506405.db2.gz MSOFVLFMAFZWIT-YVEFUNNKSA-N 1 2 344.371 2.061 20 5 EEBDLO CCOC(=O)N(C)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000495795711 316110532 /nfs/dbraw/zinc/11/05/32/316110532.db2.gz QBFMCAXMLKXEIV-UHFFFAOYSA-N 1 2 337.376 2.353 20 5 EEBDLO CCC[C@H](C(=O)OCC)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000502691789 316351095 /nfs/dbraw/zinc/35/10/95/316351095.db2.gz LELSGRDHVJWHJX-MRXNPFEDSA-N 1 2 335.404 2.449 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)c1ccccc1OC ZINC000571832059 319790928 /nfs/dbraw/zinc/79/09/28/319790928.db2.gz FPIUXICLLXNJIV-OAHLLOKOSA-N 1 2 332.356 2.435 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000296370647 465173774 /nfs/dbraw/zinc/17/37/74/465173774.db2.gz RNGMMPXXEGCGNA-LBPRGKRZSA-N 1 2 339.417 2.369 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000296370647 465173779 /nfs/dbraw/zinc/17/37/79/465173779.db2.gz RNGMMPXXEGCGNA-LBPRGKRZSA-N 1 2 339.417 2.369 20 5 EEBDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ccccc1[N+](=O)[O-] ZINC000337106015 465193625 /nfs/dbraw/zinc/19/36/25/465193625.db2.gz ZRHLAPYCMOYZGX-UHFFFAOYSA-N 1 2 343.387 2.170 20 5 EEBDLO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@](C)(C(F)(F)F)O1 ZINC000339444403 465278379 /nfs/dbraw/zinc/27/83/79/465278379.db2.gz FSMKIKOPLBSIOJ-LBPRGKRZSA-N 1 2 336.314 2.223 20 5 EEBDLO CC1(C)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@](C)(C(F)(F)F)O1 ZINC000339444403 465278383 /nfs/dbraw/zinc/27/83/83/465278383.db2.gz FSMKIKOPLBSIOJ-LBPRGKRZSA-N 1 2 336.314 2.223 20 5 EEBDLO CC(C)c1ccc(C[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000337405298 465349750 /nfs/dbraw/zinc/34/97/50/465349750.db2.gz NDSDJUMGAGOMCT-CYBMUJFWSA-N 1 2 326.418 2.337 20 5 EEBDLO CC(C)c1ccc(C[N@H+]2CC[C@@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000337405298 465349755 /nfs/dbraw/zinc/34/97/55/465349755.db2.gz NDSDJUMGAGOMCT-CYBMUJFWSA-N 1 2 326.418 2.337 20 5 EEBDLO CC(C)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000128232682 462621366 /nfs/dbraw/zinc/62/13/66/462621366.db2.gz XLBLRKTZJCETTR-UHFFFAOYSA-N 1 2 341.795 2.089 20 5 EEBDLO C[C@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000153553244 462663235 /nfs/dbraw/zinc/66/32/35/462663235.db2.gz VRAIYGIIRNZNJN-CYBMUJFWSA-N 1 2 331.376 2.046 20 5 EEBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130039372 462737219 /nfs/dbraw/zinc/73/72/19/462737219.db2.gz WGMRUBNCBUOLMG-UHFFFAOYSA-N 1 2 341.367 2.258 20 5 EEBDLO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000065784440 462828716 /nfs/dbraw/zinc/82/87/16/462828716.db2.gz VFHARGFFHQKQDD-UHFFFAOYSA-N 1 2 326.316 2.006 20 5 EEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000131894441 462832772 /nfs/dbraw/zinc/83/27/72/462832772.db2.gz NAUCRHJPWKMZDF-MRXNPFEDSA-N 1 2 328.372 2.415 20 5 EEBDLO C[N@H+](Cc1cccnc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000132363100 462852374 /nfs/dbraw/zinc/85/23/74/462852374.db2.gz OQADQZADODJJMI-MRXNPFEDSA-N 1 2 326.356 2.227 20 5 EEBDLO C[N@@H+](Cc1cccnc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000132363100 462852375 /nfs/dbraw/zinc/85/23/75/462852375.db2.gz OQADQZADODJJMI-MRXNPFEDSA-N 1 2 326.356 2.227 20 5 EEBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000132381968 462853621 /nfs/dbraw/zinc/85/36/21/462853621.db2.gz NTZUUCVSKOEFJE-UHFFFAOYSA-N 1 2 325.321 2.344 20 5 EEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000119524808 462908540 /nfs/dbraw/zinc/90/85/40/462908540.db2.gz BKOMJWJZIRFPLC-OAHLLOKOSA-N 1 2 342.399 2.352 20 5 EEBDLO Nc1ccnc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000135108954 463119356 /nfs/dbraw/zinc/11/93/56/463119356.db2.gz VBWPUCXOUURRQQ-UHFFFAOYSA-N 1 2 329.360 2.010 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000027378481 463189507 /nfs/dbraw/zinc/18/95/07/463189507.db2.gz DRBYSAYNELHALS-UHFFFAOYSA-N 1 2 342.399 2.316 20 5 EEBDLO C[N@@H+]1CCc2nc(NC(=O)COc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000028836329 463234589 /nfs/dbraw/zinc/23/45/89/463234589.db2.gz UUYTZUNKQPAKQA-UHFFFAOYSA-N 1 2 348.384 2.057 20 5 EEBDLO C[N@H+]1CCc2nc(NC(=O)COc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000028836329 463234593 /nfs/dbraw/zinc/23/45/93/463234593.db2.gz UUYTZUNKQPAKQA-UHFFFAOYSA-N 1 2 348.384 2.057 20 5 EEBDLO CN(C)c1ccc(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000054647105 463250891 /nfs/dbraw/zinc/25/08/91/463250891.db2.gz CGZVELDRHHKYIG-UHFFFAOYSA-N 1 2 343.387 2.098 20 5 EEBDLO CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000032626863 463384482 /nfs/dbraw/zinc/38/44/82/463384482.db2.gz FPZUJGCNTMYCDK-CYBMUJFWSA-N 1 2 330.344 2.032 20 5 EEBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000072521996 463515246 /nfs/dbraw/zinc/51/52/46/463515246.db2.gz SSHYFUJJTSQYCK-MRXNPFEDSA-N 1 2 328.372 2.303 20 5 EEBDLO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000072521996 463515248 /nfs/dbraw/zinc/51/52/48/463515248.db2.gz SSHYFUJJTSQYCK-MRXNPFEDSA-N 1 2 328.372 2.303 20 5 EEBDLO COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000165692804 463646256 /nfs/dbraw/zinc/64/62/56/463646256.db2.gz YSJZEGDUNGAXGU-ZDUSSCGKSA-N 1 2 349.387 2.259 20 5 EEBDLO COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000165692804 463646257 /nfs/dbraw/zinc/64/62/57/463646257.db2.gz YSJZEGDUNGAXGU-ZDUSSCGKSA-N 1 2 349.387 2.259 20 5 EEBDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000043752735 463655733 /nfs/dbraw/zinc/65/57/33/463655733.db2.gz ASWGGWUUWOKIQX-UHFFFAOYSA-N 1 2 339.355 2.140 20 5 EEBDLO Cc1c(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000171070744 463775517 /nfs/dbraw/zinc/77/55/17/463775517.db2.gz QNNSCDAWZMBLOS-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO Cc1c(NC(=O)NCC[N@H+]2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000171070744 463775524 /nfs/dbraw/zinc/77/55/24/463775524.db2.gz QNNSCDAWZMBLOS-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO CCc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000171369758 463852569 /nfs/dbraw/zinc/85/25/69/463852569.db2.gz GDGKLPDYPLTCAQ-CQSZACIVSA-N 1 2 343.387 2.009 20 5 EEBDLO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000171369758 463852572 /nfs/dbraw/zinc/85/25/72/463852572.db2.gz GDGKLPDYPLTCAQ-CQSZACIVSA-N 1 2 343.387 2.009 20 5 EEBDLO CCc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000171369758 463852574 /nfs/dbraw/zinc/85/25/74/463852574.db2.gz GDGKLPDYPLTCAQ-CQSZACIVSA-N 1 2 343.387 2.009 20 5 EEBDLO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000171369758 463852575 /nfs/dbraw/zinc/85/25/75/463852575.db2.gz GDGKLPDYPLTCAQ-CQSZACIVSA-N 1 2 343.387 2.009 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC000178167088 463855975 /nfs/dbraw/zinc/85/59/75/463855975.db2.gz APXBDZFRWJWCQD-UHFFFAOYSA-N 1 2 329.360 2.142 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3cscn3)CC2)n1 ZINC000178209459 463862116 /nfs/dbraw/zinc/86/21/16/463862116.db2.gz WLNIVTZLYRDXAV-UHFFFAOYSA-N 1 2 333.417 2.467 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3cscn3)CC2)n1 ZINC000178209459 463862121 /nfs/dbraw/zinc/86/21/21/463862121.db2.gz WLNIVTZLYRDXAV-UHFFFAOYSA-N 1 2 333.417 2.467 20 5 EEBDLO CC(C)(C)C[C@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172305310 464047417 /nfs/dbraw/zinc/04/74/17/464047417.db2.gz XNTBNOPWCPHULY-ZDUSSCGKSA-N 1 2 346.387 2.307 20 5 EEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279215349 464067343 /nfs/dbraw/zinc/06/73/43/464067343.db2.gz CGUIDBLSCQIVOK-BFQNTYOBSA-N 1 2 333.388 2.421 20 5 EEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279215349 464067347 /nfs/dbraw/zinc/06/73/47/464067347.db2.gz CGUIDBLSCQIVOK-BFQNTYOBSA-N 1 2 333.388 2.421 20 5 EEBDLO NC(=O)[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179577259 464161059 /nfs/dbraw/zinc/16/10/59/464161059.db2.gz RIYYSAXRWNRROK-ZDUSSCGKSA-N 1 2 332.385 2.168 20 5 EEBDLO NC(=O)[C@@H]1CCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179577259 464161065 /nfs/dbraw/zinc/16/10/65/464161065.db2.gz RIYYSAXRWNRROK-ZDUSSCGKSA-N 1 2 332.385 2.168 20 5 EEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](CO)C1 ZINC000298679696 465469865 /nfs/dbraw/zinc/46/98/65/465469865.db2.gz UBPOXIIYZKMBRV-MNOVXSKESA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](CO)C1 ZINC000298679696 465469872 /nfs/dbraw/zinc/46/98/72/465469872.db2.gz UBPOXIIYZKMBRV-MNOVXSKESA-N 1 2 341.795 2.280 20 5 EEBDLO CCCc1n[nH]c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000264646248 464407856 /nfs/dbraw/zinc/40/78/56/464407856.db2.gz DLDMXKWHWRSLQH-JTQLQIEISA-N 1 2 332.364 2.013 20 5 EEBDLO CCCc1[nH]nc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000264646248 464407863 /nfs/dbraw/zinc/40/78/63/464407863.db2.gz DLDMXKWHWRSLQH-JTQLQIEISA-N 1 2 332.364 2.013 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CF)CC1 ZINC000295182030 464735916 /nfs/dbraw/zinc/73/59/16/464735916.db2.gz RTVKJOLJFMUGHV-UHFFFAOYSA-N 1 2 325.340 2.223 20 5 EEBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](CO)O1 ZINC000191532342 464819171 /nfs/dbraw/zinc/81/91/71/464819171.db2.gz GTTCYFOCYPBYNE-BLLLJJGKSA-N 1 2 332.356 2.436 20 5 EEBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](CO)O1 ZINC000191532342 464819178 /nfs/dbraw/zinc/81/91/78/464819178.db2.gz GTTCYFOCYPBYNE-BLLLJJGKSA-N 1 2 332.356 2.436 20 5 EEBDLO Cc1c(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cccc1[N+](=O)[O-] ZINC000276354682 464900584 /nfs/dbraw/zinc/90/05/84/464900584.db2.gz RKKQLPVGBKRXPO-WBMJQRKESA-N 1 2 344.371 2.287 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000276420642 464925728 /nfs/dbraw/zinc/92/57/28/464925728.db2.gz WGXOFUFLJBHVQC-WBMJQRKESA-N 1 2 344.371 2.287 20 5 EEBDLO C[N@H+](CCOCCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000282848585 464972569 /nfs/dbraw/zinc/97/25/69/464972569.db2.gz WFKRZDPNGXFJBB-UHFFFAOYSA-N 1 2 337.401 2.159 20 5 EEBDLO C[N@@H+](CCOCCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000282848585 464972578 /nfs/dbraw/zinc/97/25/78/464972578.db2.gz WFKRZDPNGXFJBB-UHFFFAOYSA-N 1 2 337.401 2.159 20 5 EEBDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184534460 464991707 /nfs/dbraw/zinc/99/17/07/464991707.db2.gz DNLXLMWRMVCYTG-DGCLKSJQSA-N 1 2 333.344 2.492 20 5 EEBDLO COC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000184548990 464994783 /nfs/dbraw/zinc/99/47/83/464994783.db2.gz ZJKMPNAAGUHTMB-BXUZGUMPSA-N 1 2 333.344 2.492 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000342917812 465387574 /nfs/dbraw/zinc/38/75/74/465387574.db2.gz VVQWGEKEIXXECS-NSHDSACASA-N 1 2 339.355 2.439 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353028354 465585657 /nfs/dbraw/zinc/58/56/57/465585657.db2.gz ZYEQPEFRISBETQ-NSHDSACASA-N 1 2 343.330 2.403 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353028354 465585661 /nfs/dbraw/zinc/58/56/61/465585661.db2.gz ZYEQPEFRISBETQ-NSHDSACASA-N 1 2 343.330 2.403 20 5 EEBDLO COC(=O)c1oc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C ZINC000597116988 468448455 /nfs/dbraw/zinc/44/84/55/468448455.db2.gz KESIADXINJXSQN-UHFFFAOYSA-N 1 2 344.327 2.449 20 5 EEBDLO Cn1c(C(=O)Nc2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000340369656 466034878 /nfs/dbraw/zinc/03/48/78/466034878.db2.gz HJJJVMIHKHAGBQ-UHFFFAOYSA-N 1 2 344.371 2.018 20 5 EEBDLO COC(=O)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000353872959 466219109 /nfs/dbraw/zinc/21/91/09/466219109.db2.gz GIZQJXCOQCYKJV-NSHDSACASA-N 1 2 325.340 2.031 20 5 EEBDLO COC(=O)C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000353872959 466219113 /nfs/dbraw/zinc/21/91/13/466219113.db2.gz GIZQJXCOQCYKJV-NSHDSACASA-N 1 2 325.340 2.031 20 5 EEBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000363489872 466436769 /nfs/dbraw/zinc/43/67/69/466436769.db2.gz MOXUKVOZVDLTAW-ZDUSSCGKSA-N 1 2 338.795 2.238 20 5 EEBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000363489872 466436774 /nfs/dbraw/zinc/43/67/74/466436774.db2.gz MOXUKVOZVDLTAW-ZDUSSCGKSA-N 1 2 338.795 2.238 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C1 ZINC000370143892 466775639 /nfs/dbraw/zinc/77/56/39/466775639.db2.gz ZUKTXZWLVOIKIJ-VIFPVBQESA-N 1 2 336.298 2.236 20 5 EEBDLO Cc1nccnc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000370542719 466916191 /nfs/dbraw/zinc/91/61/91/466916191.db2.gz SWZNQMAXWTZTHM-UHFFFAOYSA-N 1 2 327.388 2.324 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)c1F ZINC000412230948 467044869 /nfs/dbraw/zinc/04/48/69/467044869.db2.gz PGCJOAQCEWWBJX-LBPRGKRZSA-N 1 2 348.334 2.372 20 5 EEBDLO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CS1 ZINC000412614309 467102911 /nfs/dbraw/zinc/10/29/11/467102911.db2.gz QGSNDASVOATBAU-JQWIXIFHSA-N 1 2 332.385 2.404 20 5 EEBDLO COc1ccc(NC(=O)CN2CCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000378432283 467300124 /nfs/dbraw/zinc/30/01/24/467300124.db2.gz HFOWRQUXUGIVHQ-ZDUSSCGKSA-N 1 2 345.359 2.102 20 5 EEBDLO CCn1nccc1C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429724066 467362940 /nfs/dbraw/zinc/36/29/40/467362940.db2.gz WKNRSSRRJXQLTJ-LBPRGKRZSA-N 1 2 331.376 2.270 20 5 EEBDLO CCn1nccc1C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000429724066 467362944 /nfs/dbraw/zinc/36/29/44/467362944.db2.gz WKNRSSRRJXQLTJ-LBPRGKRZSA-N 1 2 331.376 2.270 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000430205007 467408098 /nfs/dbraw/zinc/40/80/98/467408098.db2.gz UANXPFDFVMNOGS-UHFFFAOYSA-N 1 2 343.383 2.352 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000430205007 467408101 /nfs/dbraw/zinc/40/81/01/467408101.db2.gz UANXPFDFVMNOGS-UHFFFAOYSA-N 1 2 343.383 2.352 20 5 EEBDLO NC(=O)c1cccc([N+](=O)[O-])c1NCCCCNc1cccc[nH+]1 ZINC000420580480 467427853 /nfs/dbraw/zinc/42/78/53/467427853.db2.gz FFSCDNIBCHEOOH-UHFFFAOYSA-N 1 2 329.360 2.393 20 5 EEBDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000420922982 467514291 /nfs/dbraw/zinc/51/42/91/467514291.db2.gz GTRAUAABSLRUKW-RYUDHWBXSA-N 1 2 338.408 2.271 20 5 EEBDLO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000420922982 467514292 /nfs/dbraw/zinc/51/42/92/467514292.db2.gz GTRAUAABSLRUKW-RYUDHWBXSA-N 1 2 338.408 2.271 20 5 EEBDLO Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454527155 467598877 /nfs/dbraw/zinc/59/88/77/467598877.db2.gz NASDRZRSZGTKEX-CQSZACIVSA-N 1 2 343.387 2.418 20 5 EEBDLO CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448776553 467601455 /nfs/dbraw/zinc/60/14/55/467601455.db2.gz HANHSEDUZNHSBX-AWEZNQCLSA-N 1 2 344.371 2.422 20 5 EEBDLO C[C@@H](O)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450655025 467887791 /nfs/dbraw/zinc/88/77/91/467887791.db2.gz XXWUCUFXRJWFDS-OCCSQVGLSA-N 1 2 344.371 2.156 20 5 EEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000598000957 468736433 /nfs/dbraw/zinc/73/64/33/468736433.db2.gz WIFUNONFYXABQI-GHMZBOCLSA-N 1 2 341.795 2.087 20 5 EEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000598000957 468736439 /nfs/dbraw/zinc/73/64/39/468736439.db2.gz WIFUNONFYXABQI-GHMZBOCLSA-N 1 2 341.795 2.087 20 5 EEBDLO COc1ccccc1C[NH+]1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595307253 468807293 /nfs/dbraw/zinc/80/72/93/468807293.db2.gz LDJSDFWGVFPEIC-UHFFFAOYSA-N 1 2 346.387 2.218 20 5 EEBDLO Cc1noc(C[NH2+]C(C)(C)C(=O)NCC2CCCCC2)c1[N+](=O)[O-] ZINC000595405632 468840831 /nfs/dbraw/zinc/84/08/31/468840831.db2.gz AGOWDNBTJLVCJY-UHFFFAOYSA-N 1 2 338.408 2.456 20 5 EEBDLO CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595472956 468866248 /nfs/dbraw/zinc/86/62/48/468866248.db2.gz QYOCWXDSXDTBHO-ZDUSSCGKSA-N 1 2 330.381 2.133 20 5 EEBDLO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595472956 468866253 /nfs/dbraw/zinc/86/62/53/468866253.db2.gz QYOCWXDSXDTBHO-ZDUSSCGKSA-N 1 2 330.381 2.133 20 5 EEBDLO CCOC(=O)c1c(C)n[nH]c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595485165 468872367 /nfs/dbraw/zinc/87/23/67/468872367.db2.gz RYRMVIDKNRFWRX-UHFFFAOYSA-N 1 2 346.387 2.478 20 5 EEBDLO CCOC(=O)c1c(C)n[nH]c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595485165 468872370 /nfs/dbraw/zinc/87/23/70/468872370.db2.gz RYRMVIDKNRFWRX-UHFFFAOYSA-N 1 2 346.387 2.478 20 5 EEBDLO O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000598539012 468906005 /nfs/dbraw/zinc/90/60/05/468906005.db2.gz ATVDXGSBUBRAOU-UHFFFAOYSA-N 1 2 333.388 2.152 20 5 EEBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](Cc2ccccc2)C1 ZINC000593320234 468938389 /nfs/dbraw/zinc/93/83/89/468938389.db2.gz BIKZSEUKHANHFH-AWEZNQCLSA-N 1 2 329.356 2.187 20 5 EEBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H](Cc2ccccc2)C1 ZINC000593320234 468938393 /nfs/dbraw/zinc/93/83/93/468938393.db2.gz BIKZSEUKHANHFH-AWEZNQCLSA-N 1 2 329.356 2.187 20 5 EEBDLO C[C@H](COCC1CC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000593332616 468941894 /nfs/dbraw/zinc/94/18/94/468941894.db2.gz IWCQNABLBXANRV-GFCCVEGCSA-N 1 2 344.371 2.325 20 5 EEBDLO NC(=O)C[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602662002 468996250 /nfs/dbraw/zinc/99/62/50/468996250.db2.gz ABLSHYUCNQNXHQ-ZETCQYMHSA-N 1 2 348.222 2.116 20 5 EEBDLO NC(=O)C[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602662002 468996246 /nfs/dbraw/zinc/99/62/46/468996246.db2.gz ABLSHYUCNQNXHQ-ZETCQYMHSA-N 1 2 348.222 2.116 20 5 EEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]Cc1nnnn1C1CC1 ZINC000602560415 469360659 /nfs/dbraw/zinc/36/06/59/469360659.db2.gz MOOBONXCJHVHOX-UHFFFAOYSA-N 1 2 342.281 2.225 20 5 EEBDLO CNc1c(C(=O)NCC[NH+]2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000613229092 469663401 /nfs/dbraw/zinc/66/34/01/469663401.db2.gz RCHNKPYOYTWUBZ-UHFFFAOYSA-N 1 2 340.383 2.382 20 5 EEBDLO COc1ccccc1C[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609075211 469889562 /nfs/dbraw/zinc/88/95/62/469889562.db2.gz WHVXZTGINOMKKN-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO Cc1cc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000609578066 469942299 /nfs/dbraw/zinc/94/22/99/469942299.db2.gz BNAUNEDVAOWFQK-UHFFFAOYSA-N 1 2 346.431 2.259 20 5 EEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCCCCn1cc[nH+]c1 ZINC000609583205 469943297 /nfs/dbraw/zinc/94/32/97/469943297.db2.gz CPBNZBMWCJRSBK-UHFFFAOYSA-N 1 2 332.360 2.157 20 5 EEBDLO O=C(N[C@H]1CCCSC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267310790 490711927 /nfs/dbraw/zinc/71/19/27/490711927.db2.gz ZWCPLAZYTOZGMG-LBPRGKRZSA-N 1 2 332.385 2.406 20 5 EEBDLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000192677385 534019999 /nfs/dbraw/zinc/01/99/99/534019999.db2.gz CHNTZVAQWMLSRZ-RYUDHWBXSA-N 1 2 344.375 2.041 20 5 EEBDLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000192677385 534020007 /nfs/dbraw/zinc/02/00/07/534020007.db2.gz CHNTZVAQWMLSRZ-RYUDHWBXSA-N 1 2 344.375 2.041 20 5 EEBDLO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000172407968 534772904 /nfs/dbraw/zinc/77/29/04/534772904.db2.gz TYQSDYQKUFECEV-UHFFFAOYSA-N 1 2 347.396 2.320 20 5 EEBDLO CC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000425918833 535961173 /nfs/dbraw/zinc/96/11/73/535961173.db2.gz MZHIJFILVTUCOO-AWEZNQCLSA-N 1 2 327.768 2.034 20 5 EEBDLO CC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000425918833 535961175 /nfs/dbraw/zinc/96/11/75/535961175.db2.gz MZHIJFILVTUCOO-AWEZNQCLSA-N 1 2 327.768 2.034 20 5 EEBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000738368660 578011128 /nfs/dbraw/zinc/01/11/28/578011128.db2.gz HQKFOWBZPLQABE-UHFFFAOYSA-N 1 2 328.307 2.204 20 5 EEBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000729336897 576634046 /nfs/dbraw/zinc/63/40/46/576634046.db2.gz AWPAHQJASZTLOQ-HNNXBMFYSA-N 1 2 345.403 2.434 20 5 EEBDLO CC1(CO)CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000762619582 577704716 /nfs/dbraw/zinc/70/47/16/577704716.db2.gz KYDDLXRXOLVADN-UHFFFAOYSA-N 1 2 341.795 2.281 20 5 EEBDLO COC(=O)c1ccc(OCc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC000763492115 577721927 /nfs/dbraw/zinc/72/19/27/577721927.db2.gz UIZOXWLFDHREAF-UHFFFAOYSA-N 1 2 331.328 2.421 20 5 EEBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741149315 578113933 /nfs/dbraw/zinc/11/39/33/578113933.db2.gz OIJJNAFEIJUFCP-IUODEOHRSA-N 1 2 349.387 2.339 20 5 EEBDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000741149315 578113934 /nfs/dbraw/zinc/11/39/34/578113934.db2.gz OIJJNAFEIJUFCP-IUODEOHRSA-N 1 2 349.387 2.339 20 5 EEBDLO Cc1ccc(CCNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c[nH+]1 ZINC000737336901 578251322 /nfs/dbraw/zinc/25/13/22/578251322.db2.gz JNGIVIFATRXHEZ-UHFFFAOYSA-N 1 2 325.332 2.133 20 5 EEBDLO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933465203 676683761 /nfs/dbraw/zinc/68/37/61/676683761.db2.gz PKWMFGJUCFBMRJ-ZDUSSCGKSA-N 1 2 336.392 2.431 20 5 EEBDLO C[N@H+](Cc1cccnc1[N+](=O)[O-])C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933465203 676683762 /nfs/dbraw/zinc/68/37/62/676683762.db2.gz PKWMFGJUCFBMRJ-ZDUSSCGKSA-N 1 2 336.392 2.431 20 5 EEBDLO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)CCc1[nH+]ccn1C ZINC001107000584 1192338863 /nfs/dbraw/zinc/33/88/63/1192338863.db2.gz GEQLYDMABXPQKK-UHFFFAOYSA-N 1 2 345.403 2.222 20 5 EEBDLO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000880241207 1201432184 /nfs/dbraw/zinc/43/21/84/1201432184.db2.gz GSPJOYZWZAOUAG-SNVBAGLBSA-N 1 2 325.340 2.364 20 5 EEBDLO COC1CC[NH+](Cc2cn(Cc3ccc(C)c([N+](=O)[O-])c3)nn2)CC1 ZINC000881211927 1201658499 /nfs/dbraw/zinc/65/84/99/1201658499.db2.gz KHKFGNKIVISHSF-UHFFFAOYSA-N 1 2 345.403 2.154 20 5 EEBDLO COc1cccc(C[NH+]2CCN(c3ccnc(F)c3[N+](=O)[O-])CC2)c1 ZINC000882689418 1201920812 /nfs/dbraw/zinc/92/08/12/1201920812.db2.gz JEAKBCFWUIRLQC-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO C[C@@H]1CCOCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000827828681 1248808521 /nfs/dbraw/zinc/80/85/21/1248808521.db2.gz DDSFOEYGFAZEEC-GFCCVEGCSA-N 1 2 330.344 2.032 20 5 EEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000900667037 1234630465 /nfs/dbraw/zinc/63/04/65/1234630465.db2.gz LIJZJIJTIWFAIM-GFCCVEGCSA-N 1 2 341.795 2.089 20 5 EEBDLO CC/C=C(/C)C(=O)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096272039 1236938165 /nfs/dbraw/zinc/93/81/65/1236938165.db2.gz IQIOXVIQLWZTGG-TVPGTPATSA-N 1 2 346.431 2.189 20 5 EEBDLO COc1ccc(CC(=O)OCCCc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000802784838 1238228387 /nfs/dbraw/zinc/22/83/87/1238228387.db2.gz HXQCJRNNWORWQK-UHFFFAOYSA-N 1 2 333.344 2.055 20 5 EEBDLO C[S@](=O)CC[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853369407 1292366286 /nfs/dbraw/zinc/36/62/86/1292366286.db2.gz XNDQDQYDGFMYRJ-QHCPKHFHSA-N 1 2 347.387 2.033 20 5 EEBDLO O=c1nc2ccc([N+](=O)[O-])cc2c(OC2CC[NH+](CCF)CC2)[nH]1 ZINC001227096859 1301685558 /nfs/dbraw/zinc/68/55/58/1301685558.db2.gz UBXSGTBLUFZVKM-UHFFFAOYSA-N 1 2 336.323 2.056 20 5 EEBDLO CC(C)C[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000780763520 1303698773 /nfs/dbraw/zinc/69/87/73/1303698773.db2.gz INKMZEJSZYWULX-HZPDHXFCSA-N 1 2 332.404 2.414 20 5 EEBDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])c2ccccc12 ZINC001162849260 1320973569 /nfs/dbraw/zinc/97/35/69/1320973569.db2.gz JGVYPFSOORNPGE-LBPRGKRZSA-N 1 2 332.360 2.224 20 5 EEBDLO O=C(COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CCC1 ZINC000838102075 1315138363 /nfs/dbraw/zinc/13/83/63/1315138363.db2.gz ODXBOYVFTFYNNJ-UHFFFAOYSA-N 1 2 329.312 2.307 20 5 EEBDLO O=C1Nc2ccccc2[C@@H]1C1CC[NH+](Cn2nccc2[N+](=O)[O-])CC1 ZINC001318165409 1332481314 /nfs/dbraw/zinc/48/13/14/1332481314.db2.gz HIYBZJYWQICCFU-INIZCTEOSA-N 1 2 341.371 2.197 20 5 EEBDLO Cc1cc(NC/C=C\CNC(=O)CCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC001107445784 787259338 /nfs/dbraw/zinc/25/93/38/787259338.db2.gz QNDBFMJSODNCFT-IHWYPQMZSA-N 1 2 343.387 2.274 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823950728 787986253 /nfs/dbraw/zinc/98/62/53/787986253.db2.gz KLVLVVQVHMJMIG-LLVKDONJSA-N 1 2 344.375 2.322 20 5 EEBDLO CCOC(=O)c1ccc(NCC2([NH+]3CCCC3)COC2)c([N+](=O)[O-])c1 ZINC001168447908 794960754 /nfs/dbraw/zinc/96/07/54/794960754.db2.gz NMSDCDSKABIZNB-UHFFFAOYSA-N 1 2 349.387 2.048 20 5 EEBDLO O=C(CCCn1cc[nH+]c1)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094470334 796297644 /nfs/dbraw/zinc/29/76/44/796297644.db2.gz XRCKWPVCAKAHJG-UHFFFAOYSA-N 1 2 349.366 2.329 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)CCn2cc[nH+]c2)c1 ZINC001094690012 796534224 /nfs/dbraw/zinc/53/42/24/796534224.db2.gz UTZOSPYBWINFLK-UHFFFAOYSA-N 1 2 331.376 2.108 20 5 EEBDLO Cn1c[nH+]cc1CCOC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000789777611 808187340 /nfs/dbraw/zinc/18/73/40/808187340.db2.gz SQXNSTQKWKURJX-UHFFFAOYSA-N 1 2 328.328 2.138 20 5 EEBDLO Cc1cc(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001517937848 1119047910 /nfs/dbraw/zinc/04/79/10/1119047910.db2.gz ZKZHAFVJDBYDNE-CHWSQXEVSA-N 1 2 336.392 2.134 20 5 EEBDLO Cc1c(C(=O)Nc2cc[nH+]c(C)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000078517951 201187782 /nfs/dbraw/zinc/18/77/82/201187782.db2.gz ZZIVLHQDJBCICC-UHFFFAOYSA-N 1 2 338.327 2.440 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CCC[C@H](O)C1 ZINC000447806791 242320409 /nfs/dbraw/zinc/32/04/09/242320409.db2.gz OCBLHIGTOWNFRU-HOCLYGCPSA-N 1 2 349.431 2.390 20 5 EEBDLO Cc1cccc(C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000072298015 203197616 /nfs/dbraw/zinc/19/76/16/203197616.db2.gz WOMABNPXLDKJQC-LBPRGKRZSA-N 1 2 348.428 2.152 20 5 EEBDLO CC(C)C[C@H]1COCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072980007 203252482 /nfs/dbraw/zinc/25/24/82/203252482.db2.gz VJPXKANYSQLFPF-INIZCTEOSA-N 1 2 335.404 2.305 20 5 EEBDLO CC(C)C[C@H]1COCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072980007 203252485 /nfs/dbraw/zinc/25/24/85/203252485.db2.gz VJPXKANYSQLFPF-INIZCTEOSA-N 1 2 335.404 2.305 20 5 EEBDLO Cc1cc(C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)ccc1[N+](=O)[O-] ZINC000075148237 203308393 /nfs/dbraw/zinc/30/83/93/203308393.db2.gz WVFJCZJMPZJOMK-LBPRGKRZSA-N 1 2 348.428 2.152 20 5 EEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000427989781 284242613 /nfs/dbraw/zinc/24/26/13/284242613.db2.gz HEUNJBVHOYMJPI-NSHDSACASA-N 1 2 337.339 2.084 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161415819 206345854 /nfs/dbraw/zinc/34/58/54/206345854.db2.gz BFKPORCQIPNWPV-LBPRGKRZSA-N 1 2 342.355 2.007 20 5 EEBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000273717571 256321038 /nfs/dbraw/zinc/32/10/38/256321038.db2.gz RGCQPEMHRFPCFT-BDAKNGLRSA-N 1 2 335.389 2.433 20 5 EEBDLO COc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-] ZINC000153152828 533562823 /nfs/dbraw/zinc/56/28/23/533562823.db2.gz ITZRCVPHMIACGS-UHFFFAOYSA-N 1 2 342.399 2.316 20 5 EEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120469993 142389266 /nfs/dbraw/zinc/38/92/66/142389266.db2.gz VIUPFBKWPUNGSE-INIZCTEOSA-N 1 2 327.340 2.212 20 5 EEBDLO Nc1c(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000120611004 142395060 /nfs/dbraw/zinc/39/50/60/142395060.db2.gz IZZDMDPTCUUHCY-LBPRGKRZSA-N 1 2 346.318 2.005 20 5 EEBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120789624 142398536 /nfs/dbraw/zinc/39/85/36/142398536.db2.gz PFOROMHJMYBPMH-MRXNPFEDSA-N 1 2 343.339 2.049 20 5 EEBDLO CCOC(=O)c1ccnc(NC[C@H](C)Cn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000077930178 159111733 /nfs/dbraw/zinc/11/17/33/159111733.db2.gz ZNGQYVZUUQRRHZ-NSHDSACASA-N 1 2 333.348 2.111 20 5 EEBDLO CC[NH+](CC)CCSCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547304 159222680 /nfs/dbraw/zinc/22/26/80/159222680.db2.gz GGRBVOVOOJHFSV-UHFFFAOYSA-N 1 2 327.406 2.314 20 5 EEBDLO COC(=O)c1cnc(NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000189357081 160140696 /nfs/dbraw/zinc/14/06/96/160140696.db2.gz AFBWKZQTMSCSOW-UHFFFAOYSA-N 1 2 327.300 2.036 20 5 EEBDLO CN(c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000343260159 161117588 /nfs/dbraw/zinc/11/75/88/161117588.db2.gz AKGABXICGRENPI-OAHLLOKOSA-N 1 2 335.404 2.042 20 5 EEBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cccc(O)c1[N+](=O)[O-] ZINC000343332026 161125530 /nfs/dbraw/zinc/12/55/30/161125530.db2.gz KHICAUOIZKIVLX-UHFFFAOYSA-N 1 2 339.311 2.193 20 5 EEBDLO CCC[N@@H+]1CCC[C@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000343965360 161185038 /nfs/dbraw/zinc/18/50/38/161185038.db2.gz NOMQZNJFXMMSJA-JTQLQIEISA-N 1 2 347.462 2.346 20 5 EEBDLO CCC[N@H+]1CCC[C@H]1CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000343965360 161185039 /nfs/dbraw/zinc/18/50/39/161185039.db2.gz NOMQZNJFXMMSJA-JTQLQIEISA-N 1 2 347.462 2.346 20 5 EEBDLO Cc1cnn([C@@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)c1 ZINC000352413845 162127269 /nfs/dbraw/zinc/12/72/69/162127269.db2.gz BZOHAHGSAUADGG-CQSZACIVSA-N 1 2 343.387 2.294 20 5 EEBDLO Cc1cnn([C@@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)c1 ZINC000352413845 162127272 /nfs/dbraw/zinc/12/72/72/162127272.db2.gz BZOHAHGSAUADGG-CQSZACIVSA-N 1 2 343.387 2.294 20 5 EEBDLO CC[C@@H](C(=O)OC)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000352670836 162238901 /nfs/dbraw/zinc/23/89/01/162238901.db2.gz GWKAHGFIVOLINH-BBRMVZONSA-N 1 2 335.404 2.225 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000378265844 167654013 /nfs/dbraw/zinc/65/40/13/167654013.db2.gz HIKOXDVYBXKSPR-GBXSZLQWSA-N 1 2 326.356 2.358 20 5 EEBDLO CCOc1cc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000280319779 269350801 /nfs/dbraw/zinc/35/08/01/269350801.db2.gz GQHLSAFJUWNFBP-GUYCJALGSA-N 1 2 336.388 2.373 20 5 EEBDLO CCOc1cc(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)ccc1[N+](=O)[O-] ZINC000280319779 269350803 /nfs/dbraw/zinc/35/08/03/269350803.db2.gz GQHLSAFJUWNFBP-GUYCJALGSA-N 1 2 336.388 2.373 20 5 EEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000275227945 274231476 /nfs/dbraw/zinc/23/14/76/274231476.db2.gz LACFHBMNCHBNQK-BETUJISGSA-N 1 2 328.328 2.341 20 5 EEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000275227945 274231478 /nfs/dbraw/zinc/23/14/78/274231478.db2.gz LACFHBMNCHBNQK-BETUJISGSA-N 1 2 328.328 2.341 20 5 EEBDLO COc1cc[nH+]cc1COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000288832780 275087573 /nfs/dbraw/zinc/08/75/73/275087573.db2.gz VUOHOLRGPYRCDJ-UHFFFAOYSA-N 1 2 331.328 2.421 20 5 EEBDLO COc1cc(C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000291858415 275347010 /nfs/dbraw/zinc/34/70/10/275347010.db2.gz PHIZZGDXYZMLDZ-JTQLQIEISA-N 1 2 334.294 2.192 20 5 EEBDLO COc1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])cc1F ZINC000291858415 275347012 /nfs/dbraw/zinc/34/70/12/275347012.db2.gz PHIZZGDXYZMLDZ-JTQLQIEISA-N 1 2 334.294 2.192 20 5 EEBDLO CC(C)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1[N+](=O)[O-] ZINC000345815128 277308272 /nfs/dbraw/zinc/30/82/72/277308272.db2.gz WIUPNRWZPWIVQW-GFCCVEGCSA-N 1 2 328.372 2.405 20 5 EEBDLO COc1cc(N2CC[C@H]([NH+]3CCOCC3)[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000357589162 277382271 /nfs/dbraw/zinc/38/22/71/277382271.db2.gz BXPYPVNPCZIMSG-AAEUAGOBSA-N 1 2 339.367 2.042 20 5 EEBDLO NC(=O)[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000297225163 294185171 /nfs/dbraw/zinc/18/51/71/294185171.db2.gz HMEXGFSUAGFKKB-ZBFHGGJFSA-N 1 2 326.356 2.183 20 5 EEBDLO CCc1noc(C)c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298180431 294439582 /nfs/dbraw/zinc/43/95/82/294439582.db2.gz VMRPJSCDDPNJRS-UHFFFAOYSA-N 1 2 331.376 2.171 20 5 EEBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000332404498 312002271 /nfs/dbraw/zinc/00/22/71/312002271.db2.gz WSLUNNCKGCDDLH-UHFFFAOYSA-N 1 2 333.388 2.391 20 5 EEBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@H](O)C(C)C ZINC000412722568 312715582 /nfs/dbraw/zinc/71/55/82/312715582.db2.gz DYWUGNYCOOKGPW-XJKSGUPXSA-N 1 2 346.387 2.306 20 5 EEBDLO CC[C@@H]1C[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](CC)O1 ZINC000420961334 314009537 /nfs/dbraw/zinc/00/95/37/314009537.db2.gz SFPOIUVQVSFVHU-HZPDHXFCSA-N 1 2 347.415 2.373 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000430218173 314505392 /nfs/dbraw/zinc/50/53/92/314505392.db2.gz IPWUEBRHQGFONZ-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000544847432 318198704 /nfs/dbraw/zinc/19/87/04/318198704.db2.gz YPPKIIJFMHWGMX-BBRMVZONSA-N 1 2 343.387 2.086 20 5 EEBDLO C[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000544847432 318198706 /nfs/dbraw/zinc/19/87/06/318198706.db2.gz YPPKIIJFMHWGMX-BBRMVZONSA-N 1 2 343.387 2.086 20 5 EEBDLO Cn1c2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2[nH+]c1C1CC1 ZINC000547761567 318320014 /nfs/dbraw/zinc/32/00/14/318320014.db2.gz XCPOKPYZJGTNQP-UHFFFAOYSA-N 1 2 326.316 2.334 20 5 EEBDLO Cn1c[nH+]cc1CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000551945431 318484041 /nfs/dbraw/zinc/48/40/41/318484041.db2.gz CIJZEOFVSYJHFL-UHFFFAOYSA-N 1 2 342.277 2.320 20 5 EEBDLO O=C1NCCN1[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000564544576 319090336 /nfs/dbraw/zinc/09/03/36/319090336.db2.gz OHLIWDACHFRUEQ-CQSZACIVSA-N 1 2 341.371 2.137 20 5 EEBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255070356 465024940 /nfs/dbraw/zinc/02/49/40/465024940.db2.gz ZBCWIXRQRKHZGE-JWJUJFCLSA-N 1 2 326.418 2.363 20 5 EEBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255070356 465024943 /nfs/dbraw/zinc/02/49/43/465024943.db2.gz ZBCWIXRQRKHZGE-JWJUJFCLSA-N 1 2 326.418 2.363 20 5 EEBDLO Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339105495 465085563 /nfs/dbraw/zinc/08/55/63/465085563.db2.gz MVCJSJINYKBUKG-RHSMWYFYSA-N 1 2 346.387 2.271 20 5 EEBDLO O=C1NC[C@H]2[C@H]1CCC[N@H+]2Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339153185 465111146 /nfs/dbraw/zinc/11/11/46/465111146.db2.gz FPGOYEWKKCRHTE-YPMHNXCESA-N 1 2 343.305 2.324 20 5 EEBDLO O=C1NC[C@H]2[C@H]1CCC[N@@H+]2Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339153185 465111148 /nfs/dbraw/zinc/11/11/48/465111148.db2.gz FPGOYEWKKCRHTE-YPMHNXCESA-N 1 2 343.305 2.324 20 5 EEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000358479844 465149957 /nfs/dbraw/zinc/14/99/57/465149957.db2.gz PFUVXBUNNGRPDT-CYBMUJFWSA-N 1 2 346.362 2.475 20 5 EEBDLO CCOC(=O)CCNc1cc(CC)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000341561491 465231989 /nfs/dbraw/zinc/23/19/89/465231989.db2.gz SVLTUWSLFGCCDC-UHFFFAOYSA-N 1 2 344.371 2.401 20 5 EEBDLO CC(C)[N@@H+]1CCC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000347927491 465314509 /nfs/dbraw/zinc/31/45/09/465314509.db2.gz HZFGXNQKBVXWNI-LLVKDONJSA-N 1 2 331.376 2.074 20 5 EEBDLO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000347927491 465314517 /nfs/dbraw/zinc/31/45/17/465314517.db2.gz HZFGXNQKBVXWNI-LLVKDONJSA-N 1 2 331.376 2.074 20 5 EEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2[nH]cc[nH+]2)cc1OC ZINC000590564727 468273970 /nfs/dbraw/zinc/27/39/70/468273970.db2.gz KKMDVJYTQOYSAN-SECBINFHSA-N 1 2 334.332 2.216 20 5 EEBDLO O=[N+]([O-])c1ccc(-c2nc(CN3CCn4c[nH+]cc4C3)co2)cc1 ZINC000590600255 468283891 /nfs/dbraw/zinc/28/38/91/468283891.db2.gz SUJDGPBTXZNWOU-UHFFFAOYSA-N 1 2 325.328 2.462 20 5 EEBDLO CN(C)c1ccc(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000491024167 468287046 /nfs/dbraw/zinc/28/70/46/468287046.db2.gz JFEUDRSTUVBGHK-NTMALXAHSA-N 1 2 326.356 2.385 20 5 EEBDLO 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EEBDLO O=C1CC[C@H]2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC[C@H]2N1 ZINC000596457597 469272865 /nfs/dbraw/zinc/27/28/65/469272865.db2.gz MFXUHLUJCQUTJL-SWLSCSKDSA-N 1 2 326.356 2.248 20 5 EEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609130968 469893342 /nfs/dbraw/zinc/89/33/42/469893342.db2.gz DMOCVCOXYXSZOO-AWEZNQCLSA-N 1 2 343.387 2.457 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609258092 469907537 /nfs/dbraw/zinc/90/75/37/469907537.db2.gz LUDHCTLSPUSOKP-OAHLLOKOSA-N 1 2 343.387 2.375 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609258092 469907539 /nfs/dbraw/zinc/90/75/39/469907539.db2.gz LUDHCTLSPUSOKP-OAHLLOKOSA-N 1 2 343.387 2.375 20 5 EEBDLO O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-n4cc[nH+]c4)nn3)n2)cc1 ZINC000731791887 577124653 /nfs/dbraw/zinc/12/46/53/577124653.db2.gz ANQVCGOKKSIXQT-UHFFFAOYSA-N 1 2 335.283 2.288 20 5 EEBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000772352212 577266464 /nfs/dbraw/zinc/26/64/64/577266464.db2.gz XSECIZAOJWAATG-AWEZNQCLSA-N 1 2 332.360 2.342 20 5 EEBDLO CN(CC(F)F)C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000769510774 577579482 /nfs/dbraw/zinc/57/94/82/577579482.db2.gz OTHLYBAECQRFGJ-UHFFFAOYSA-N 1 2 329.347 2.462 20 5 EEBDLO Nc1c(C(=O)OCc2ccc(-n3cc[nH+]c3)nc2)cccc1[N+](=O)[O-] ZINC000758952590 577634165 /nfs/dbraw/zinc/63/41/65/577634165.db2.gz CWNBHBSCNLHPHT-UHFFFAOYSA-N 1 2 339.311 2.115 20 5 EEBDLO Cc1nn(C[N@H+]2CCOC[C@H]2CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749952904 577984424 /nfs/dbraw/zinc/98/44/24/577984424.db2.gz JGWMYTUWQKGSQO-CQSZACIVSA-N 1 2 333.392 2.352 20 5 EEBDLO Cc1nn(C[N@@H+]2CCOC[C@H]2CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000749952904 577984425 /nfs/dbraw/zinc/98/44/25/577984425.db2.gz JGWMYTUWQKGSQO-CQSZACIVSA-N 1 2 333.392 2.352 20 5 EEBDLO Cn1cc(C[NH+]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)cn1 ZINC000735491871 578155402 /nfs/dbraw/zinc/15/54/02/578155402.db2.gz LRNMNTRXQLYKPX-UHFFFAOYSA-N 1 2 349.822 2.300 20 5 EEBDLO Cn1ncc([N+](=O)[O-])c1NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000892554216 681765253 /nfs/dbraw/zinc/76/52/53/681765253.db2.gz BNLBOQGRJZWUJA-LLVKDONJSA-N 1 2 325.319 2.321 20 5 EEBDLO O=C(C=C1CCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025733132 683256264 /nfs/dbraw/zinc/25/62/64/683256264.db2.gz GCDRGYARNJLAIT-VIKVFOODSA-N 1 2 333.413 2.313 20 5 EEBDLO O=C(C=C1CCC1)N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21 ZINC001025733132 683256268 /nfs/dbraw/zinc/25/62/68/683256268.db2.gz GCDRGYARNJLAIT-VIKVFOODSA-N 1 2 333.413 2.313 20 5 EEBDLO O=C(c1ccon1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029225593 683589974 /nfs/dbraw/zinc/58/99/74/683589974.db2.gz ZJLIYRADGUAEFY-OKILXGFUSA-N 1 2 342.355 2.072 20 5 EEBDLO O=C(c1ccon1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC001029225593 683589980 /nfs/dbraw/zinc/58/99/80/683589980.db2.gz ZJLIYRADGUAEFY-OKILXGFUSA-N 1 2 342.355 2.072 20 5 EEBDLO Cc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])c(N(C)C)[nH+]1 ZINC000122865430 683974996 /nfs/dbraw/zinc/97/49/96/683974996.db2.gz XSTRWCWWEVGMOH-UHFFFAOYSA-N 1 2 329.360 2.415 20 5 EEBDLO Cc1nn(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794701986 1197823905 /nfs/dbraw/zinc/82/39/05/1197823905.db2.gz IWQKPYJVXDODSK-SJCJKPOMSA-N 1 2 346.387 2.090 20 5 EEBDLO Cc1nn(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000794701986 1197823918 /nfs/dbraw/zinc/82/39/18/1197823918.db2.gz IWQKPYJVXDODSK-SJCJKPOMSA-N 1 2 346.387 2.090 20 5 EEBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@H]2CCCCN2C1=O ZINC000872604855 1198276864 /nfs/dbraw/zinc/27/68/64/1198276864.db2.gz MRFSZJWBXOCGRX-MRXNPFEDSA-N 1 2 332.404 2.317 20 5 EEBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@H]2CCCCN2C1=O ZINC000872604855 1198276873 /nfs/dbraw/zinc/27/68/73/1198276873.db2.gz MRFSZJWBXOCGRX-MRXNPFEDSA-N 1 2 332.404 2.317 20 5 EEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000874710904 1198961775 /nfs/dbraw/zinc/96/17/75/1198961775.db2.gz MRFHOMDQZWLBQL-CQSZACIVSA-N 1 2 335.404 2.052 20 5 EEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000874710904 1198961780 /nfs/dbraw/zinc/96/17/80/1198961780.db2.gz MRFHOMDQZWLBQL-CQSZACIVSA-N 1 2 335.404 2.052 20 5 EEBDLO COc1cccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)CC[NH2+]2)c1 ZINC000870147970 1200510257 /nfs/dbraw/zinc/51/02/57/1200510257.db2.gz VTOCSWLNTHRTAQ-QGZVFWFLSA-N 1 2 341.367 2.390 20 5 EEBDLO COc1cccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])s3)CC2)c1 ZINC000866125167 1201440805 /nfs/dbraw/zinc/44/08/05/1201440805.db2.gz CYDKTZKOWNSDAL-UHFFFAOYSA-N 1 2 334.401 2.382 20 5 EEBDLO CCC(=O)c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000795062039 1201966189 /nfs/dbraw/zinc/96/61/89/1201966189.db2.gz PNLMWHWYCAZEKD-OAHLLOKOSA-N 1 2 347.415 2.489 20 5 EEBDLO C[C@H]1C[N@H+](CCOC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000800192319 1202219080 /nfs/dbraw/zinc/21/90/80/1202219080.db2.gz XZALHKMTDSHHNN-LBPRGKRZSA-N 1 2 345.355 2.021 20 5 EEBDLO C[C@H]1C[N@@H+](CCOC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000800192319 1202219081 /nfs/dbraw/zinc/21/90/81/1202219081.db2.gz XZALHKMTDSHHNN-LBPRGKRZSA-N 1 2 345.355 2.021 20 5 EEBDLO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](c2ccccc2)C1 ZINC000195137295 1211324107 /nfs/dbraw/zinc/32/41/07/1211324107.db2.gz UQIKFEQYJAYQCT-QGZVFWFLSA-N 1 2 340.383 2.306 20 5 EEBDLO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H](c2ccccc2)C1 ZINC000195137295 1211324109 /nfs/dbraw/zinc/32/41/09/1211324109.db2.gz UQIKFEQYJAYQCT-QGZVFWFLSA-N 1 2 340.383 2.306 20 5 EEBDLO Cc1nn(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(C)c1[N+](=O)[O-] ZINC000795716846 1215009454 /nfs/dbraw/zinc/00/94/54/1215009454.db2.gz ICKJZYYNQZICQF-GFCCVEGCSA-N 1 2 336.314 2.145 20 5 EEBDLO Cc1nn(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c(C)c1[N+](=O)[O-] ZINC000795716846 1215009457 /nfs/dbraw/zinc/00/94/57/1215009457.db2.gz ICKJZYYNQZICQF-GFCCVEGCSA-N 1 2 336.314 2.145 20 5 EEBDLO O=C(CC1CCC1)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096276796 1236995337 /nfs/dbraw/zinc/99/53/37/1236995337.db2.gz XUYFGQQWMWVNFX-UHFFFAOYSA-N 1 2 346.431 2.023 20 5 EEBDLO CC1(CC(=O)NCC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001096295079 1237174001 /nfs/dbraw/zinc/17/40/01/1237174001.db2.gz YUIUZXFMNXBNCR-UHFFFAOYSA-N 1 2 346.431 2.023 20 5 EEBDLO Cc1ccc(N[C@H]2C[C@@H](NC(=O)CCc3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC001097180688 1243792892 /nfs/dbraw/zinc/79/28/92/1243792892.db2.gz YERIDEMMINMOOW-BETUJISGSA-N 1 2 343.387 2.318 20 5 EEBDLO C[C@@H]1C[N@H+](CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855413579 1293208559 /nfs/dbraw/zinc/20/85/59/1293208559.db2.gz NMKSOFMMUSSCBR-WDEREUQCSA-N 1 2 341.795 2.087 20 5 EEBDLO C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855413579 1293208567 /nfs/dbraw/zinc/20/85/67/1293208567.db2.gz NMKSOFMMUSSCBR-WDEREUQCSA-N 1 2 341.795 2.087 20 5 EEBDLO O=C(N[C@H]1CCn2c[nH+]cc2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000857943218 1293961983 /nfs/dbraw/zinc/96/19/83/1293961983.db2.gz CQTUVVCWPBCPTR-NSHDSACASA-N 1 2 336.298 2.014 20 5 EEBDLO COC(=O)CCCCOC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000859713103 1294611768 /nfs/dbraw/zinc/61/17/68/1294611768.db2.gz UUIHRSRQKBVWKM-UHFFFAOYSA-N 1 2 347.327 2.281 20 5 EEBDLO C[C@H]1CC[NH2+]CC[C@@H]1Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001218024435 1297551354 /nfs/dbraw/zinc/55/13/54/1297551354.db2.gz OBNVXOOIONRKHY-CBAPKCEASA-N 1 2 335.282 2.481 20 5 EEBDLO Cc1nc(O[C@@H]2C[NH2+]CC2(F)F)c(Br)cc1[N+](=O)[O-] ZINC001218234018 1297610025 /nfs/dbraw/zinc/61/00/25/1297610025.db2.gz QXGUHYLNFWPDPI-MRVPVSSYSA-N 1 2 338.108 2.047 20 5 EEBDLO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@@H]1C[NH2+]CC1(F)F ZINC001218239652 1297611907 /nfs/dbraw/zinc/61/19/07/1297611907.db2.gz PZOUNLVNMLQDHX-MRVPVSSYSA-N 1 2 341.083 2.482 20 5 EEBDLO C[N@@H+]1CC[C@@H](Oc2cc3c(cc2O)oc2cccc(O)c2c3=O)C1 ZINC001227307343 1301776094 /nfs/dbraw/zinc/77/60/94/1301776094.db2.gz WDGCGHSQBYHFCX-SNVBAGLBSA-N 1 2 327.336 2.440 20 5 EEBDLO C[N@H+]1CC[C@@H](Oc2cc3c(cc2O)oc2cccc(O)c2c3=O)C1 ZINC001227307343 1301776095 /nfs/dbraw/zinc/77/60/95/1301776095.db2.gz WDGCGHSQBYHFCX-SNVBAGLBSA-N 1 2 327.336 2.440 20 5 EEBDLO C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@@H+]1C ZINC000780807207 1303705894 /nfs/dbraw/zinc/70/58/94/1303705894.db2.gz IMJCPHHLCDQYCO-ZDUSSCGKSA-N 1 2 335.407 2.457 20 5 EEBDLO C[C@H]1CN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC[N@H+]1C ZINC000780807207 1303705899 /nfs/dbraw/zinc/70/58/99/1303705899.db2.gz IMJCPHHLCDQYCO-ZDUSSCGKSA-N 1 2 335.407 2.457 20 5 EEBDLO CS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232223451 1304042645 /nfs/dbraw/zinc/04/26/45/1304042645.db2.gz MWGCGHDTGGZCPT-MRXNPFEDSA-N 1 2 341.436 2.402 20 5 EEBDLO CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232223451 1304042650 /nfs/dbraw/zinc/04/26/50/1304042650.db2.gz MWGCGHDTGGZCPT-MRXNPFEDSA-N 1 2 341.436 2.402 20 5 EEBDLO COc1ccc(OCCO[NH+]=C(N)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000782342053 1304043914 /nfs/dbraw/zinc/04/39/14/1304043914.db2.gz QQVOLGZDOXHWCE-UHFFFAOYSA-N 1 2 346.343 2.118 20 5 EEBDLO Cc1c(C(=O)OCCc2c[nH+]cn2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000837483998 1315086577 /nfs/dbraw/zinc/08/65/77/1315086577.db2.gz LJHQDHUPTNNONU-UHFFFAOYSA-N 1 2 348.315 2.253 20 5 EEBDLO O=C(NC1CC1)[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001257427308 1318997924 /nfs/dbraw/zinc/99/79/24/1318997924.db2.gz FHLVSWLTQZWLLQ-JTQLQIEISA-N 1 2 339.342 2.364 20 5 EEBDLO O=C(NC1CC1)[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001257427308 1318997927 /nfs/dbraw/zinc/99/79/27/1318997927.db2.gz FHLVSWLTQZWLLQ-JTQLQIEISA-N 1 2 339.342 2.364 20 5 EEBDLO C[NH+]1CCN(c2cccnc2Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC001210396212 1325264830 /nfs/dbraw/zinc/26/48/30/1325264830.db2.gz NRWDWBSZLWPDTJ-UHFFFAOYSA-N 1 2 329.360 2.191 20 5 EEBDLO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609141302 1351858856 /nfs/dbraw/zinc/85/88/56/1351858856.db2.gz JZTXJWPFKCIHAA-NSHDSACASA-N 1 2 339.359 2.363 20 5 EEBDLO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609141302 1351858860 /nfs/dbraw/zinc/85/88/60/1351858860.db2.gz JZTXJWPFKCIHAA-NSHDSACASA-N 1 2 339.359 2.363 20 5 EEBDLO COC(=O)COc1c(C)cc(NCc2cc[nH+]c(N)c2)cc1[N+](=O)[O-] ZINC001167618744 760746993 /nfs/dbraw/zinc/74/69/93/760746993.db2.gz NYGWTXQLHLYDIC-UHFFFAOYSA-N 1 2 346.343 2.044 20 5 EEBDLO O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001091476173 790944447 /nfs/dbraw/zinc/94/44/47/790944447.db2.gz CAEKYQZDMVSDHE-XYPYZODXSA-N 1 2 347.350 2.006 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001091515165 791037664 /nfs/dbraw/zinc/03/76/64/791037664.db2.gz DXEBPAKESIJNOR-JOCQHMNTSA-N 1 2 343.387 2.176 20 5 EEBDLO O=C(N[C@H]1CCn2cc[nH+]c2C1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907529203 784694712 /nfs/dbraw/zinc/69/47/12/784694712.db2.gz RKANREHHGOHGJK-VIFPVBQESA-N 1 2 338.726 2.329 20 5 EEBDLO CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000823402178 787735820 /nfs/dbraw/zinc/73/58/20/787735820.db2.gz SNURHBKTFNZPKR-JTQLQIEISA-N 1 2 334.332 2.376 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845276325 789703124 /nfs/dbraw/zinc/70/31/24/789703124.db2.gz ACVGLVCAFNVMOD-GFCCVEGCSA-N 1 2 346.343 2.233 20 5 EEBDLO C[C@H](CC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC000845284864 789711198 /nfs/dbraw/zinc/71/11/98/789711198.db2.gz OWVWQNAGLLQXMY-SNVBAGLBSA-N 1 2 334.288 2.394 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)CCCn2cc[nH+]c2)c1 ZINC001093714344 795623797 /nfs/dbraw/zinc/62/37/97/795623797.db2.gz DRVXMRGUSBFGGV-UHFFFAOYSA-N 1 2 331.376 2.108 20 5 EEBDLO [NH3+]Cc1nccnc1Nc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001171449946 796520182 /nfs/dbraw/zinc/52/01/82/796520182.db2.gz LQVMVCNXUZDBLB-UHFFFAOYSA-N 1 2 342.128 2.489 20 5 EEBDLO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)OCc1ccccc1 ZINC000785856557 806613148 /nfs/dbraw/zinc/61/31/48/806613148.db2.gz JWZONRRWHFBSDO-UHFFFAOYSA-N 1 2 344.371 2.172 20 5 EEBDLO C[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC2(CCOCC2)O1 ZINC000790406477 808663603 /nfs/dbraw/zinc/66/36/03/808663603.db2.gz XNWNOGQDKDQUBC-CYBMUJFWSA-N 1 2 346.387 2.172 20 5 EEBDLO C[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC2(CCOCC2)O1 ZINC000790406477 808663607 /nfs/dbraw/zinc/66/36/07/808663607.db2.gz XNWNOGQDKDQUBC-CYBMUJFWSA-N 1 2 346.387 2.172 20 5 EEBDLO Nc1cc(COC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)cc[nH+]1 ZINC000791913316 809503964 /nfs/dbraw/zinc/50/39/64/809503964.db2.gz YCAHMSJNSJODIP-UHFFFAOYSA-N 1 2 340.295 2.183 20 5 EEBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000805828997 811575487 /nfs/dbraw/zinc/57/54/87/811575487.db2.gz UWNQCGIKSROJCT-NSHDSACASA-N 1 2 325.340 2.444 20 5 EEBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000805828997 811575494 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CS(=O)(=O)c1ccc(F)c(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000337247300 465265719 /nfs/dbraw/zinc/26/57/19/465265719.db2.gz IBOIVNJCBUJGBT-UHFFFAOYSA-N 1 2 344.389 2.489 20 5 EEBDLO COc1ccc(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000337399998 465346825 /nfs/dbraw/zinc/34/68/25/465346825.db2.gz KIDRTIIUFRZGPQ-CYBMUJFWSA-N 1 2 342.417 2.003 20 5 EEBDLO COc1ccc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000337399998 465346831 /nfs/dbraw/zinc/34/68/31/465346831.db2.gz KIDRTIIUFRZGPQ-CYBMUJFWSA-N 1 2 342.417 2.003 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152774812 462579952 /nfs/dbraw/zinc/57/99/52/462579952.db2.gz JTWOEUHTMWQVJV-LBPRGKRZSA-N 1 2 342.355 2.007 20 5 EEBDLO C[C@@H]1CN(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000130328857 462750659 /nfs/dbraw/zinc/75/06/59/462750659.db2.gz YOIRBZGBXPUOEL-OKILXGFUSA-N 1 2 347.415 2.195 20 5 EEBDLO C[C@@H]1CN(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 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VSRVDFOGYFFJHC-ZDUSSCGKSA-N 1 2 349.387 2.117 20 5 EEBDLO O=C(N1CCCCC1)N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000022406029 463049185 /nfs/dbraw/zinc/04/91/85/463049185.db2.gz VAIHQHQEPYGFGL-UHFFFAOYSA-N 1 2 332.404 2.318 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(OC)CC1 ZINC000053897250 463196252 /nfs/dbraw/zinc/19/62/52/463196252.db2.gz FGTZHAFCQSVZAE-NSHDSACASA-N 1 2 337.376 2.041 20 5 EEBDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccco3)CC2)cc([N+](=O)[O-])c1 ZINC000147490042 463395265 /nfs/dbraw/zinc/39/52/65/463395265.db2.gz OPBVITMSEWPNMQ-UHFFFAOYSA-N 1 2 329.356 2.454 20 5 EEBDLO O=[N+]([O-])c1ccc(C[N@H+](CCCO)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000286938497 463749505 /nfs/dbraw/zinc/74/95/05/463749505.db2.gz NSTAPRLCAXRAQM-UHFFFAOYSA-N 1 2 346.343 2.283 20 5 EEBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCCO)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000286938497 463749510 /nfs/dbraw/zinc/74/95/10/463749510.db2.gz NSTAPRLCAXRAQM-UHFFFAOYSA-N 1 2 346.343 2.283 20 5 EEBDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000287266597 463851714 /nfs/dbraw/zinc/85/17/14/463851714.db2.gz HMDQVKVTFTUJMA-LBPRGKRZSA-N 1 2 345.407 2.117 20 5 EEBDLO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000287266597 463851718 /nfs/dbraw/zinc/85/17/18/463851718.db2.gz HMDQVKVTFTUJMA-LBPRGKRZSA-N 1 2 345.407 2.117 20 5 EEBDLO O=C(NCCc1ccccc1[N+](=O)[O-])C1CC[NH+](CC(F)F)CC1 ZINC000287852594 464020611 /nfs/dbraw/zinc/02/06/11/464020611.db2.gz CPCLFPVVBQRIGL-UHFFFAOYSA-N 1 2 341.358 2.231 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279262274 464083347 /nfs/dbraw/zinc/08/33/47/464083347.db2.gz IFOVWOFIPLCSDZ-BFQNTYOBSA-N 1 2 333.388 2.421 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279262274 464083352 /nfs/dbraw/zinc/08/33/52/464083352.db2.gz IFOVWOFIPLCSDZ-BFQNTYOBSA-N 1 2 333.388 2.421 20 5 EEBDLO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000263478613 464112948 /nfs/dbraw/zinc/11/29/48/464112948.db2.gz FTQOYBPLZIGCRL-UHFFFAOYSA-N 1 2 333.388 2.012 20 5 EEBDLO O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000263478613 464112951 /nfs/dbraw/zinc/11/29/51/464112951.db2.gz FTQOYBPLZIGCRL-UHFFFAOYSA-N 1 2 333.388 2.012 20 5 EEBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CCCCO)CC2 ZINC000284765627 464329860 /nfs/dbraw/zinc/32/98/60/464329860.db2.gz MITMGTOEQMWCBZ-UHFFFAOYSA-N 1 2 329.194 2.488 20 5 EEBDLO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CCCCO)CC2 ZINC000284765627 464329866 /nfs/dbraw/zinc/32/98/66/464329866.db2.gz MITMGTOEQMWCBZ-UHFFFAOYSA-N 1 2 329.194 2.488 20 5 EEBDLO Cc1ccc(NCCCNC(=O)CCc2c[nH+]c[nH]2)c([N+](=O)[O-])c1 ZINC000189091716 464431675 /nfs/dbraw/zinc/43/16/75/464431675.db2.gz OAVVGURNNDBWCW-UHFFFAOYSA-N 1 2 331.376 2.177 20 5 EEBDLO Cc1ccc(NCCCNC(=O)CCc2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC000189091716 464431677 /nfs/dbraw/zinc/43/16/77/464431677.db2.gz OAVVGURNNDBWCW-UHFFFAOYSA-N 1 2 331.376 2.177 20 5 EEBDLO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H](O)C(F)(F)F ZINC000189490633 464517403 /nfs/dbraw/zinc/51/74/03/464517403.db2.gz ALJFLMRKBZFKFN-LBPRGKRZSA-N 1 2 349.309 2.087 20 5 EEBDLO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H](O)C(F)(F)F ZINC000189490633 464517404 /nfs/dbraw/zinc/51/74/04/464517404.db2.gz ALJFLMRKBZFKFN-LBPRGKRZSA-N 1 2 349.309 2.087 20 5 EEBDLO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182140175 464580810 /nfs/dbraw/zinc/58/08/10/464580810.db2.gz DHOQIIGVQVEMEB-CYBMUJFWSA-N 1 2 335.404 2.398 20 5 EEBDLO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182140175 464580815 /nfs/dbraw/zinc/58/08/15/464580815.db2.gz DHOQIIGVQVEMEB-CYBMUJFWSA-N 1 2 335.404 2.398 20 5 EEBDLO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H](CO)c3ccccc3)n2)cc1 ZINC000182910483 464756413 /nfs/dbraw/zinc/75/64/13/464756413.db2.gz TWMPENZNBYUWOZ-HNNXBMFYSA-N 1 2 340.339 2.468 20 5 EEBDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000276188779 464839891 /nfs/dbraw/zinc/83/98/91/464839891.db2.gz HOTMIZFKHPUYNL-ONGXEEELSA-N 1 2 336.373 2.040 20 5 EEBDLO COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184534423 464992002 /nfs/dbraw/zinc/99/20/02/464992002.db2.gz DNLXLMWRMVCYTG-YPMHNXCESA-N 1 2 333.344 2.492 20 5 EEBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2ccccc2[nH+]1 ZINC000339878347 465571986 /nfs/dbraw/zinc/57/19/86/465571986.db2.gz AHNLNMTYUSEHHO-UHFFFAOYSA-N 1 2 325.328 2.214 20 5 EEBDLO O=[N+]([O-])c1cccc(S(=O)(=O)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000337905973 465672939 /nfs/dbraw/zinc/67/29/39/465672939.db2.gz UVRKSEWRIKTVLY-UHFFFAOYSA-N 1 2 349.290 2.328 20 5 EEBDLO Cc1nc(C(C)(C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000357099483 465772468 /nfs/dbraw/zinc/77/24/68/465772468.db2.gz HXPXOYVIPOUTHH-UHFFFAOYSA-N 1 2 333.348 2.140 20 5 EEBDLO Cn1ccnc1[C@H]([NH2+]CCOCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353404371 465859676 /nfs/dbraw/zinc/85/96/76/465859676.db2.gz OSPCDHKNFFYILI-MRXNPFEDSA-N 1 2 330.388 2.434 20 5 EEBDLO CC[C@@H]1C[N@H+](CCNc2cc(OC)c([N+](=O)[O-])cc2F)CCO1 ZINC000362666714 465924549 /nfs/dbraw/zinc/92/45/49/465924549.db2.gz FOAVDESTODUBIL-LLVKDONJSA-N 1 2 327.356 2.265 20 5 EEBDLO CC[C@@H]1C[N@@H+](CCNc2cc(OC)c([N+](=O)[O-])cc2F)CCO1 ZINC000362666714 465924555 /nfs/dbraw/zinc/92/45/55/465924555.db2.gz FOAVDESTODUBIL-LLVKDONJSA-N 1 2 327.356 2.265 20 5 EEBDLO CCn1cc(CN[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000353615767 466016136 /nfs/dbraw/zinc/01/61/36/466016136.db2.gz ARGPGAKBMIISCK-INIZCTEOSA-N 1 2 340.387 2.424 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCn3cc[nH+]c32)c1 ZINC000367120777 466143913 /nfs/dbraw/zinc/14/39/13/466143913.db2.gz IJJMUPFCJRMNOJ-GFCCVEGCSA-N 1 2 344.371 2.497 20 5 EEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000597203068 468479418 /nfs/dbraw/zinc/47/94/18/468479418.db2.gz MDRFUAUIFHFTMD-VHUCWBOISA-N 1 2 331.416 2.405 20 5 EEBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000305758925 466452217 /nfs/dbraw/zinc/45/22/17/466452217.db2.gz CNZFRFWZTHAGKC-CABZTGNLSA-N 1 2 349.309 2.085 20 5 EEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000305758925 466452220 /nfs/dbraw/zinc/45/22/20/466452220.db2.gz CNZFRFWZTHAGKC-CABZTGNLSA-N 1 2 349.309 2.085 20 5 EEBDLO COc1cc(CNc2[nH+]c3ccc(F)cc3n2C)cc([N+](=O)[O-])c1O ZINC000362092186 466549204 /nfs/dbraw/zinc/54/92/04/466549204.db2.gz BRGMMYNXOBUBKT-UHFFFAOYSA-N 1 2 346.318 2.947 20 5 EEBDLO Cn1cc[nH+]c1[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccccc1F ZINC000364918186 466721714 /nfs/dbraw/zinc/72/17/14/466721714.db2.gz WQIODYZAIIEDJY-ZDUSSCGKSA-N 1 2 328.307 2.459 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365494313 466837132 /nfs/dbraw/zinc/83/71/32/466837132.db2.gz LGGKGDKOWCGCBS-CQSZACIVSA-N 1 2 343.339 2.292 20 5 EEBDLO Cc1c(NC(=O)CC[NH2+][C@@H](C)c2csnn2)cccc1[N+](=O)[O-] ZINC000412041016 466975654 /nfs/dbraw/zinc/97/56/54/466975654.db2.gz NBASNRSJTUAUIY-JTQLQIEISA-N 1 2 335.389 2.434 20 5 EEBDLO CC(C)Oc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-] ZINC000412271894 467055153 /nfs/dbraw/zinc/05/51/53/467055153.db2.gz OYHVDSTXOXFSDZ-CYBMUJFWSA-N 1 2 344.371 2.323 20 5 EEBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1c[nH+]ccc1-n1ccnn1 ZINC000377441555 467059661 /nfs/dbraw/zinc/05/96/61/467059661.db2.gz HTKGHWBWUVJBNR-AATRIKPKSA-N 1 2 336.311 2.222 20 5 EEBDLO COc1cc[nH+]cc1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412358156 467073624 /nfs/dbraw/zinc/07/36/24/467073624.db2.gz IKNNUPNYTZHKAJ-UHFFFAOYSA-N 1 2 349.318 2.005 20 5 EEBDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc([N+](=O)[O-])cc3)[nH+]cn2)C1 ZINC000413066176 467164442 /nfs/dbraw/zinc/16/44/42/467164442.db2.gz HIUKEKNPXGADTC-GXTWGEPZSA-N 1 2 343.387 2.204 20 5 EEBDLO C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc([N+](=O)[O-])cc3)nc[nH+]2)C1 ZINC000413066176 467164444 /nfs/dbraw/zinc/16/44/44/467164444.db2.gz HIUKEKNPXGADTC-GXTWGEPZSA-N 1 2 343.387 2.204 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000427851913 467182714 /nfs/dbraw/zinc/18/27/14/467182714.db2.gz LAFBFKYLQMAQQI-UHFFFAOYSA-N 1 2 330.344 2.230 20 5 EEBDLO CC(C)(C(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000427998822 467192477 /nfs/dbraw/zinc/19/24/77/467192477.db2.gz WZZJLBXMMJIBRZ-NSHDSACASA-N 1 2 346.362 2.339 20 5 EEBDLO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)(C)O ZINC000452493341 467386731 /nfs/dbraw/zinc/38/67/31/467386731.db2.gz ABEIINOPTDXICN-AWEZNQCLSA-N 1 2 332.360 2.060 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000430217063 467408974 /nfs/dbraw/zinc/40/89/74/467408974.db2.gz GIPFANSGWWZOKO-ZDUSSCGKSA-N 1 2 334.294 2.493 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000430217063 467408978 /nfs/dbraw/zinc/40/89/78/467408978.db2.gz GIPFANSGWWZOKO-ZDUSSCGKSA-N 1 2 334.294 2.493 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809483326 /nfs/dbraw/zinc/48/33/26/809483326.db2.gz BFSBWVXKLSFNBO-CYBMUJFWSA-N 1 2 337.332 2.421 20 5 EEBDLO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791927687 809483328 /nfs/dbraw/zinc/48/33/28/809483328.db2.gz BFSBWVXKLSFNBO-CYBMUJFWSA-N 1 2 337.332 2.421 20 5 EEBDLO CCc1ccc([C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)cc1 ZINC000190305224 529729015 /nfs/dbraw/zinc/72/90/15/529729015.db2.gz NPSCUCWLCFBZAT-QGZVFWFLSA-N 1 2 330.388 2.427 20 5 EEBDLO CCc1ccc([C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CCO2)cc1 ZINC000190305224 529729017 /nfs/dbraw/zinc/72/90/17/529729017.db2.gz NPSCUCWLCFBZAT-QGZVFWFLSA-N 1 2 330.388 2.427 20 5 EEBDLO C[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000183572647 235145797 /nfs/dbraw/zinc/14/57/97/235145797.db2.gz WXWXEAFWMYTUDS-BXUZGUMPSA-N 1 2 330.348 2.301 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000421882646 240042031 /nfs/dbraw/zinc/04/20/31/240042031.db2.gz CISGGUNIRZBNKR-UHFFFAOYSA-N 1 2 349.431 2.394 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000421882646 240042035 /nfs/dbraw/zinc/04/20/35/240042035.db2.gz CISGGUNIRZBNKR-UHFFFAOYSA-N 1 2 349.431 2.394 20 5 EEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000456376016 244237101 /nfs/dbraw/zinc/23/71/01/244237101.db2.gz HKQZILNJFDHOIQ-GFCCVEGCSA-N 1 2 332.360 2.458 20 5 EEBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000459789733 245248528 /nfs/dbraw/zinc/24/85/28/245248528.db2.gz LYLSLJWVKMICPO-RYUDHWBXSA-N 1 2 331.376 2.315 20 5 EEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245900145 205164882 /nfs/dbraw/zinc/16/48/82/205164882.db2.gz LBCWNKBFBPFUDV-BMIGLBTASA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@](C)(O)C1 ZINC000245900145 205164885 /nfs/dbraw/zinc/16/48/85/205164885.db2.gz LBCWNKBFBPFUDV-BMIGLBTASA-N 1 2 341.795 2.422 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000495132243 247071147 /nfs/dbraw/zinc/07/11/47/247071147.db2.gz LGGKGDKOWCGCBS-AWEZNQCLSA-N 1 2 343.339 2.292 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268534052 252001588 /nfs/dbraw/zinc/00/15/88/252001588.db2.gz ZLWLYJWHEPOOMC-GFCCVEGCSA-N 1 2 331.376 2.410 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268534052 252001593 /nfs/dbraw/zinc/00/15/93/252001593.db2.gz ZLWLYJWHEPOOMC-GFCCVEGCSA-N 1 2 331.376 2.410 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268534052 252001595 /nfs/dbraw/zinc/00/15/95/252001595.db2.gz ZLWLYJWHEPOOMC-GFCCVEGCSA-N 1 2 331.376 2.410 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000268534052 252001599 /nfs/dbraw/zinc/00/15/99/252001599.db2.gz ZLWLYJWHEPOOMC-GFCCVEGCSA-N 1 2 331.376 2.410 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268534052 252001604 /nfs/dbraw/zinc/00/16/04/252001604.db2.gz ZLWLYJWHEPOOMC-GFCCVEGCSA-N 1 2 331.376 2.410 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000268534052 252001606 /nfs/dbraw/zinc/00/16/06/252001606.db2.gz ZLWLYJWHEPOOMC-GFCCVEGCSA-N 1 2 331.376 2.410 20 5 EEBDLO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000273042962 256259994 /nfs/dbraw/zinc/25/99/94/256259994.db2.gz XGBXYWYLKAORLN-GFCCVEGCSA-N 1 2 341.367 2.477 20 5 EEBDLO C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000273042962 256259995 /nfs/dbraw/zinc/25/99/95/256259995.db2.gz XGBXYWYLKAORLN-GFCCVEGCSA-N 1 2 341.367 2.477 20 5 EEBDLO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000273820518 256330310 /nfs/dbraw/zinc/33/03/10/256330310.db2.gz IZKBZFSRHNUDGR-CYBMUJFWSA-N 1 2 334.307 2.320 20 5 EEBDLO O=[N+]([O-])c1cc(F)ccc1-c1nc([C@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000273820518 256330312 /nfs/dbraw/zinc/33/03/12/256330312.db2.gz IZKBZFSRHNUDGR-CYBMUJFWSA-N 1 2 334.307 2.320 20 5 EEBDLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356587943 141021910 /nfs/dbraw/zinc/02/19/10/141021910.db2.gz FZISUSGYZIXKHF-UHFFFAOYSA-N 1 2 338.323 2.416 20 5 EEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000249045301 160371280 /nfs/dbraw/zinc/37/12/80/160371280.db2.gz HHCNKVMPNFDIKK-SLEUVZQESA-N 1 2 349.387 2.053 20 5 EEBDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000249045301 160371281 /nfs/dbraw/zinc/37/12/81/160371281.db2.gz HHCNKVMPNFDIKK-SLEUVZQESA-N 1 2 349.387 2.053 20 5 EEBDLO C[C@@]1(c2ccccc2)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000090552338 159197218 /nfs/dbraw/zinc/19/72/18/159197218.db2.gz OSOGISCGXMWJHD-SFHVURJKSA-N 1 2 343.383 2.004 20 5 EEBDLO C[C@@]1(c2ccccc2)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000090552338 159197219 /nfs/dbraw/zinc/19/72/19/159197219.db2.gz OSOGISCGXMWJHD-SFHVURJKSA-N 1 2 343.383 2.004 20 5 EEBDLO Cc1cc(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc[nH+]1 ZINC000108447041 159341394 /nfs/dbraw/zinc/34/13/94/159341394.db2.gz SNZKKMVBYNBXJF-UHFFFAOYSA-N 1 2 348.746 2.320 20 5 EEBDLO COc1c(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cccc1[N+](=O)[O-] ZINC000341697862 161006001 /nfs/dbraw/zinc/00/60/01/161006001.db2.gz XHEWTGNEOVTJSB-ZDUSSCGKSA-N 1 2 330.344 2.218 20 5 EEBDLO COc1cc(F)c([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000341866933 161019882 /nfs/dbraw/zinc/01/98/82/161019882.db2.gz YMQLAWALKVWKAJ-SECBINFHSA-N 1 2 338.339 2.335 20 5 EEBDLO Cc1ccn2cc(CNC(=O)COc3cccc([N+](=O)[O-])c3)[nH+]c2c1 ZINC000342271584 161052253 /nfs/dbraw/zinc/05/22/53/161052253.db2.gz KOHOMWNRVNNRDR-UHFFFAOYSA-N 1 2 340.339 2.246 20 5 EEBDLO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc3c(c2)[nH+]cn3C)n1 ZINC000342847918 161095351 /nfs/dbraw/zinc/09/53/51/161095351.db2.gz KSILKJCAPARVHM-UHFFFAOYSA-N 1 2 327.300 2.407 20 5 EEBDLO Cc1c(C[N@@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000343929662 161181496 /nfs/dbraw/zinc/18/14/96/161181496.db2.gz LCVNXXYSIPPENK-SFHVURJKSA-N 1 2 339.395 2.446 20 5 EEBDLO Cc1c(C[N@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000343929662 161181497 /nfs/dbraw/zinc/18/14/97/161181497.db2.gz LCVNXXYSIPPENK-SFHVURJKSA-N 1 2 339.395 2.446 20 5 EEBDLO Cn1c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000345674472 161321893 /nfs/dbraw/zinc/32/18/93/161321893.db2.gz FFLMLBOAHMKVPT-UHFFFAOYSA-N 1 2 339.355 2.108 20 5 EEBDLO Cc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000346321550 161363181 /nfs/dbraw/zinc/36/31/81/161363181.db2.gz GZLPABRWALDEFE-SFHVURJKSA-N 1 2 339.395 2.446 20 5 EEBDLO Cc1ccc(C[N@H+]2CCNC(=O)[C@@H]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000346321550 161363182 /nfs/dbraw/zinc/36/31/82/161363182.db2.gz GZLPABRWALDEFE-SFHVURJKSA-N 1 2 339.395 2.446 20 5 EEBDLO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000360212434 164258911 /nfs/dbraw/zinc/25/89/11/164258911.db2.gz JNVFXMKPVFXNKX-CQSZACIVSA-N 1 2 347.346 2.472 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000369368263 166246949 /nfs/dbraw/zinc/24/69/49/166246949.db2.gz GLXIIWCXYSBARP-ZDUSSCGKSA-N 1 2 344.371 2.113 20 5 EEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)NCCc1cn2c([nH+]1)CCCC2 ZINC000369646826 166302634 /nfs/dbraw/zinc/30/26/34/166302634.db2.gz JDGLAAAWUAMKRN-UHFFFAOYSA-N 1 2 328.372 2.029 20 5 EEBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C2CC2)O1 ZINC000279412241 269277079 /nfs/dbraw/zinc/27/70/79/269277079.db2.gz WAXBAYVCBNWADA-BDJLRTHQSA-N 1 2 334.372 2.461 20 5 EEBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C2CC2)O1 ZINC000279412241 269277081 /nfs/dbraw/zinc/27/70/81/269277081.db2.gz WAXBAYVCBNWADA-BDJLRTHQSA-N 1 2 334.372 2.461 20 5 EEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000286472273 274875444 /nfs/dbraw/zinc/87/54/44/274875444.db2.gz OMGSTFGHTFFMQX-OAHLLOKOSA-N 1 2 347.415 2.346 20 5 EEBDLO CON(C)C(=O)C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000291948626 275356904 /nfs/dbraw/zinc/35/69/04/275356904.db2.gz UMRJMOITLJYIIR-UHFFFAOYSA-N 1 2 343.330 2.105 20 5 EEBDLO CCC(CC)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000173124410 278607665 /nfs/dbraw/zinc/60/76/65/278607665.db2.gz MNQCMHWNTUVYKR-QGZVFWFLSA-N 1 2 349.431 2.348 20 5 EEBDLO CCOc1cccc(N2CC[NH+](Cc3cnn(C)c3)CC2)c1[N+](=O)[O-] ZINC000358251457 279972181 /nfs/dbraw/zinc/97/21/81/279972181.db2.gz BUVCUJDAKZZOCI-UHFFFAOYSA-N 1 2 345.403 2.049 20 5 EEBDLO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCc3c[nH+]ccc32)c1C ZINC000175318198 280657302 /nfs/dbraw/zinc/65/73/02/280657302.db2.gz ZEJQBDYGBSIMHL-UHFFFAOYSA-N 1 2 333.369 2.358 20 5 EEBDLO C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172575615 288377539 /nfs/dbraw/zinc/37/75/39/288377539.db2.gz HRESRXPXRMWWCY-TXEJJXNPSA-N 1 2 330.344 2.030 20 5 EEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)OCCCO2 ZINC000292884244 293068712 /nfs/dbraw/zinc/06/87/12/293068712.db2.gz CGEDGZHXOURIMQ-ZDUSSCGKSA-N 1 2 349.387 2.151 20 5 EEBDLO CC(C)COCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293092832 293122973 /nfs/dbraw/zinc/12/29/73/293122973.db2.gz KLLOBCXYGBOXSV-UHFFFAOYSA-N 1 2 335.404 2.025 20 5 EEBDLO Cc1ccc(C[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000294073714 293363502 /nfs/dbraw/zinc/36/35/02/293363502.db2.gz YNPGYIJAPAEPGP-AWEZNQCLSA-N 1 2 326.418 2.160 20 5 EEBDLO Cc1ccc(C[N@H+]2CCC[C@H](CS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000294073714 293363504 /nfs/dbraw/zinc/36/35/04/293363504.db2.gz YNPGYIJAPAEPGP-AWEZNQCLSA-N 1 2 326.418 2.160 20 5 EEBDLO CC[C@H]1C[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420954580 314008418 /nfs/dbraw/zinc/00/84/18/314008418.db2.gz KELXXBLWTWMVJP-HOTGVXAUSA-N 1 2 335.404 2.447 20 5 EEBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Cc1ccccc1 ZINC000436957170 315016050 /nfs/dbraw/zinc/01/60/50/315016050.db2.gz SHZGMLJBWNXCNS-HNNXBMFYSA-N 1 2 343.383 2.203 20 5 EEBDLO Cc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc(C2CC2)[nH+]1 ZINC000522568856 316970330 /nfs/dbraw/zinc/97/03/30/316970330.db2.gz MCKJLPSUTCOXDY-UHFFFAOYSA-N 1 2 340.387 2.292 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000541319004 318096714 /nfs/dbraw/zinc/09/67/14/318096714.db2.gz FYLXIQBUBCREJO-UHFFFAOYSA-N 1 2 347.375 2.080 20 5 EEBDLO COc1ccc(CC(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000549758551 318440953 /nfs/dbraw/zinc/44/09/53/318440953.db2.gz SNYOHFRKXCEMPQ-HNNXBMFYSA-N 1 2 332.360 2.383 20 5 EEBDLO Cc1ccc(NCCCNC(=O)c2ccc([N+](=O)[O-])cc2O)[nH+]c1 ZINC000184845499 465029052 /nfs/dbraw/zinc/02/90/52/465029052.db2.gz KLLPQTPHEUKZFK-UHFFFAOYSA-N 1 2 330.344 2.236 20 5 EEBDLO Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339105493 465085719 /nfs/dbraw/zinc/08/57/19/465085719.db2.gz MVCJSJINYKBUKG-PBHICJAKSA-N 1 2 346.387 2.271 20 5 EEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCc1cn2c([nH+]1)CCCC2 ZINC000358428557 465117701 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COc1ccc([N+](=O)[O-])cc1C[NH+]1CCN(c2nccs2)CC1 ZINC000021334969 463036186 /nfs/dbraw/zinc/03/61/86/463036186.db2.gz URWCMFMVTLXRDK-UHFFFAOYSA-N 1 2 334.401 2.382 20 5 EEBDLO O=C(NCCCCn1cc[nH+]c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000536507703 468353859 /nfs/dbraw/zinc/35/38/59/468353859.db2.gz QGCKVJAHYNZHAJ-UHFFFAOYSA-N 1 2 327.344 2.483 20 5 EEBDLO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nnc2ccccn21 ZINC000081007461 463382152 /nfs/dbraw/zinc/38/21/52/463382152.db2.gz NXNKJIRXGZGKLF-UHFFFAOYSA-N 1 2 327.344 2.148 20 5 EEBDLO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1nnc2ccccn21 ZINC000081007461 463382154 /nfs/dbraw/zinc/38/21/54/463382154.db2.gz NXNKJIRXGZGKLF-UHFFFAOYSA-N 1 2 327.344 2.148 20 5 EEBDLO Cc1c(CC(=O)NCCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000124138302 463393451 /nfs/dbraw/zinc/39/34/51/463393451.db2.gz SBHJHLIECGDPGK-UHFFFAOYSA-N 1 2 328.372 2.459 20 5 EEBDLO O=C(C[N@@H+](CCO)Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000070927178 463394547 /nfs/dbraw/zinc/39/45/47/463394547.db2.gz 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463920051 /nfs/dbraw/zinc/92/00/51/463920051.db2.gz JWFWHEQKKZUKSU-UHFFFAOYSA-N 1 2 329.356 2.292 20 5 EEBDLO CC1(C)C[N@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000171844691 463935783 /nfs/dbraw/zinc/93/57/83/463935783.db2.gz VYRJXORNUOIYFJ-UHFFFAOYSA-N 1 2 341.795 2.089 20 5 EEBDLO CC1(C)C[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000171844691 463935786 /nfs/dbraw/zinc/93/57/86/463935786.db2.gz VYRJXORNUOIYFJ-UHFFFAOYSA-N 1 2 341.795 2.089 20 5 EEBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1n1cc[nH+]c1 ZINC000284291330 464139139 /nfs/dbraw/zinc/13/91/39/464139139.db2.gz GBEPJNCGLBKVFR-MEBBXXQBSA-N 1 2 347.350 2.236 20 5 EEBDLO CC(C)[N@H+](Cc1nnc2n1CCOC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000281334182 464416993 /nfs/dbraw/zinc/41/69/93/464416993.db2.gz QBTPOYFJFLYJQR-UHFFFAOYSA-N 1 2 331.376 2.127 20 5 EEBDLO CC(C)[N@@H+](Cc1nnc2n1CCOC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000281334182 464416997 /nfs/dbraw/zinc/41/69/97/464416997.db2.gz QBTPOYFJFLYJQR-UHFFFAOYSA-N 1 2 331.376 2.127 20 5 EEBDLO CC[C@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000265464566 464568996 /nfs/dbraw/zinc/56/89/96/464568996.db2.gz YGNBQATWAXDAFP-INIZCTEOSA-N 1 2 337.376 2.163 20 5 EEBDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000294757715 464596660 /nfs/dbraw/zinc/59/66/60/464596660.db2.gz ITTISPDNXBKROE-CYBMUJFWSA-N 1 2 325.340 2.397 20 5 EEBDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000294757715 464596665 /nfs/dbraw/zinc/59/66/65/464596665.db2.gz ITTISPDNXBKROE-CYBMUJFWSA-N 1 2 325.340 2.397 20 5 EEBDLO CC1(C)C[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC(C)(C)O1 ZINC000190526311 464667540 /nfs/dbraw/zinc/66/75/40/464667540.db2.gz ONDMIGLXHNEUGN-UHFFFAOYSA-N 1 2 347.415 2.373 20 5 EEBDLO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1COC1 ZINC000295395740 464816234 /nfs/dbraw/zinc/81/62/34/464816234.db2.gz LPOIWLXTCZSPOE-UHFFFAOYSA-N 1 2 327.768 2.296 20 5 EEBDLO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1COC1 ZINC000295395740 464816240 /nfs/dbraw/zinc/81/62/40/464816240.db2.gz LPOIWLXTCZSPOE-UHFFFAOYSA-N 1 2 327.768 2.296 20 5 EEBDLO CCn1cc[nH+]c1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000295555912 464880512 /nfs/dbraw/zinc/88/05/12/464880512.db2.gz FDFNDJRPWYPUQP-UHFFFAOYSA-N 1 2 327.344 2.082 20 5 EEBDLO C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C(N)=O)C1 ZINC000249596384 464897328 /nfs/dbraw/zinc/89/73/28/464897328.db2.gz WYNJJSCLOVVCQH-IAQYHMDHSA-N 1 2 344.371 2.336 20 5 EEBDLO C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C(N)=O)C1 ZINC000249596384 464897330 /nfs/dbraw/zinc/89/73/30/464897330.db2.gz WYNJJSCLOVVCQH-IAQYHMDHSA-N 1 2 344.371 2.336 20 5 EEBDLO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1[nH+]ccn1C(F)F ZINC000177055693 464919295 /nfs/dbraw/zinc/91/92/95/464919295.db2.gz RPBHTOWLBPETEJ-UHFFFAOYSA-N 1 2 347.281 2.458 20 5 EEBDLO COC[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccco1 ZINC000184595468 465004075 /nfs/dbraw/zinc/00/40/75/465004075.db2.gz 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O=[N+]([O-])c1cccc(OCC[N@@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000362596274 465864336 /nfs/dbraw/zinc/86/43/36/465864336.db2.gz LKCUTYMUYUDPFC-KRWDZBQOSA-N 1 2 336.388 2.101 20 5 EEBDLO O=[N+]([O-])c1cccc(OCC[N@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000362596274 465864347 /nfs/dbraw/zinc/86/43/47/465864347.db2.gz LKCUTYMUYUDPFC-KRWDZBQOSA-N 1 2 336.388 2.101 20 5 EEBDLO CCc1cc(NCCn2ccnn2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302197849 466117547 /nfs/dbraw/zinc/11/75/47/466117547.db2.gz TXESYAXYWJWZKJ-UHFFFAOYSA-N 1 2 339.359 2.318 20 5 EEBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367085057 466119452 /nfs/dbraw/zinc/11/94/52/466119452.db2.gz OTBREQFQMBLIOU-LAQIPUCWSA-N 1 2 338.367 2.176 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000353885845 466231821 /nfs/dbraw/zinc/23/18/21/466231821.db2.gz DOAYQHXKNPAWAM-UHFFFAOYSA-N 1 2 345.359 2.386 20 5 EEBDLO C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1CO ZINC000305781953 466461689 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20 5 EEBDLO CC(C)OC[C@H](CO)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433130222 467295413 /nfs/dbraw/zinc/29/54/13/467295413.db2.gz HECIUSZNSRNGJT-INIZCTEOSA-N 1 2 349.387 2.468 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378487870 467319406 /nfs/dbraw/zinc/31/94/06/467319406.db2.gz KVJKSJPHBPPCHL-ZDUSSCGKSA-N 1 2 345.359 2.102 20 5 EEBDLO Cc1cc(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000420694686 467455262 /nfs/dbraw/zinc/45/52/62/467455262.db2.gz BXTRKKFPWRWCAB-UHFFFAOYSA-N 1 2 335.385 2.226 20 5 EEBDLO CC(C)c1ccc(C[NH2+][C@H](C(N)=O)c2ccccn2)cc1[N+](=O)[O-] ZINC000449362582 467633569 /nfs/dbraw/zinc/63/35/69/467633569.db2.gz NIFIKXHRJGNSQP-INIZCTEOSA-N 1 2 328.372 2.429 20 5 EEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449655456 467679139 /nfs/dbraw/zinc/67/91/39/467679139.db2.gz ZDGRAKFUQRIDPA-SNVBAGLBSA-N 1 2 345.371 2.048 20 5 EEBDLO COc1ccc(C(=O)Nc2nc(C[NH+](C)C)cs2)cc1[N+](=O)[O-] ZINC000457298787 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332.360 2.398 20 5 EEBDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000592156878 468642669 /nfs/dbraw/zinc/64/26/69/468642669.db2.gz YIVLQBJEMVQODV-WBMJQRKESA-N 1 2 334.351 2.392 20 5 EEBDLO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000592156878 468642672 /nfs/dbraw/zinc/64/26/72/468642672.db2.gz YIVLQBJEMVQODV-WBMJQRKESA-N 1 2 334.351 2.392 20 5 EEBDLO Cc1noc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595286193 468800442 /nfs/dbraw/zinc/80/04/42/468800442.db2.gz DWKKSASRXYCDBQ-UHFFFAOYSA-N 1 2 330.344 2.155 20 5 EEBDLO Cc1noc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595286193 468800447 /nfs/dbraw/zinc/80/04/47/468800447.db2.gz DWKKSASRXYCDBQ-UHFFFAOYSA-N 1 2 330.344 2.155 20 5 EEBDLO COc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)sn1 ZINC000595288883 468800936 /nfs/dbraw/zinc/80/09/36/468800936.db2.gz AAAYGECFQDLIHI-UHFFFAOYSA-N 1 2 334.401 2.382 20 5 EEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCn2c[nH+]cc2C1 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YYPSNCBYFWAQJE-OAHLLOKOSA-N 1 2 349.431 2.361 20 5 EEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000874708837 1198958589 /nfs/dbraw/zinc/95/85/89/1198958589.db2.gz YYPSNCBYFWAQJE-OAHLLOKOSA-N 1 2 349.431 2.361 20 5 EEBDLO COc1cccc([C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)CC[NH2+]2)c1 ZINC000870147063 1200507823 /nfs/dbraw/zinc/50/78/23/1200507823.db2.gz JPFGHPCKMDNNGW-QGZVFWFLSA-N 1 2 341.367 2.390 20 5 EEBDLO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868718652 1201866096 /nfs/dbraw/zinc/86/60/96/1201866096.db2.gz AZLJRVNFDDEAQT-ARJAWSKDSA-N 1 2 348.403 2.242 20 5 EEBDLO COC[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000131954757 1202073706 /nfs/dbraw/zinc/07/37/06/1202073706.db2.gz CDQLLFJUQRJINJ-OAHLLOKOSA-N 1 2 331.328 2.362 20 5 EEBDLO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000885966814 1202460257 /nfs/dbraw/zinc/46/02/57/1202460257.db2.gz DTJKKEUETMNYFD-IJEWVQPXSA-N 1 2 334.420 2.063 20 5 EEBDLO 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ZINC000368944433 166157218 /nfs/dbraw/zinc/15/72/18/166157218.db2.gz BAMHGEXSHPOJTK-CVEARBPZSA-N 1 2 334.372 2.044 20 5 EEBDLO CC(C)(C)[C@H](CCO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000272072528 268902574 /nfs/dbraw/zinc/90/25/74/268902574.db2.gz CHYZHOBXJXCEIX-HNNXBMFYSA-N 1 2 346.387 2.307 20 5 EEBDLO Cc1cccc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000275439435 269115951 /nfs/dbraw/zinc/11/59/51/269115951.db2.gz JZUAFGXBBVOJTH-UHFFFAOYSA-N 1 2 346.431 2.038 20 5 EEBDLO Cc1cc(N2CC[C@@](C)(C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000280196964 269337371 /nfs/dbraw/zinc/33/73/71/269337371.db2.gz JDQNLFCEMWVTJY-QGZVFWFLSA-N 1 2 341.371 2.062 20 5 EEBDLO CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744759 273930506 /nfs/dbraw/zinc/93/05/06/273930506.db2.gz KDSLDRDAIHCQFJ-ZIAGYGMSSA-N 1 2 334.420 2.020 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295824323 293826666 /nfs/dbraw/zinc/82/66/66/293826666.db2.gz HXQHKCPJRYZEHJ-OAHLLOKOSA-N 1 2 328.372 2.481 20 5 EEBDLO COc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000299512623 294761696 /nfs/dbraw/zinc/76/16/96/294761696.db2.gz JXBJCWQSBILPSG-UHFFFAOYSA-N 1 2 330.344 2.346 20 5 EEBDLO C[C@@H]1C[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)O1 ZINC000412655521 312702461 /nfs/dbraw/zinc/70/24/61/312702461.db2.gz OPNOSAYRQNNJNM-YRGRVCCFSA-N 1 2 344.371 2.324 20 5 EEBDLO C[N@H+](CC(=O)NC1CC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425380644 314383197 /nfs/dbraw/zinc/38/31/97/314383197.db2.gz DQQBCSWKXGWYMV-UHFFFAOYSA-N 1 2 342.193 2.068 20 5 EEBDLO C[N@@H+](CC(=O)NC1CC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425380644 314383200 /nfs/dbraw/zinc/38/32/00/314383200.db2.gz DQQBCSWKXGWYMV-UHFFFAOYSA-N 1 2 342.193 2.068 20 5 EEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000430433191 314530593 /nfs/dbraw/zinc/53/05/93/314530593.db2.gz MBZQMQSKUNZSGU-UHFFFAOYSA-N 1 2 330.344 2.105 20 5 EEBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000492768834 315811884 /nfs/dbraw/zinc/81/18/84/315811884.db2.gz OTBREQFQMBLIOU-VGOKWCNXSA-N 1 2 338.367 2.176 20 5 EEBDLO Cc1nn(C)c(C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)c1[N+](=O)[O-] ZINC000519059671 316759687 /nfs/dbraw/zinc/75/96/87/316759687.db2.gz KEESURLHBDAOOQ-UHFFFAOYSA-N 1 2 326.316 2.279 20 5 EEBDLO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CCO1 ZINC000544857123 318198985 /nfs/dbraw/zinc/19/89/85/318198985.db2.gz NLWUJRATZIBOQK-JTQLQIEISA-N 1 2 331.319 2.329 20 5 EEBDLO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CCO1 ZINC000544857123 318198987 /nfs/dbraw/zinc/19/89/87/318198987.db2.gz NLWUJRATZIBOQK-JTQLQIEISA-N 1 2 331.319 2.329 20 5 EEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCOC[C@H]2C2CCC2)c2c(c1)COCO2 ZINC000580191030 324012493 /nfs/dbraw/zinc/01/24/93/324012493.db2.gz FLBKHGYJXJSPEU-INIZCTEOSA-N 1 2 334.372 2.462 20 5 EEBDLO O=[N+]([O-])c1cc(C[N@H+]2CCOC[C@H]2C2CCC2)c2c(c1)COCO2 ZINC000580191030 324012498 /nfs/dbraw/zinc/01/24/98/324012498.db2.gz FLBKHGYJXJSPEU-INIZCTEOSA-N 1 2 334.372 2.462 20 5 EEBDLO CCc1[nH]nc(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)c1[N+](=O)[O-] ZINC000582819343 324533205 /nfs/dbraw/zinc/53/32/05/324533205.db2.gz QLEFEJNAPMPIAX-UHFFFAOYSA-N 1 2 328.332 2.328 20 5 EEBDLO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075200592 462693910 /nfs/dbraw/zinc/69/39/10/462693910.db2.gz JPESIUBHWOGNOJ-CQSZACIVSA-N 1 2 333.388 2.295 20 5 EEBDLO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075200592 462693912 /nfs/dbraw/zinc/69/39/12/462693912.db2.gz JPESIUBHWOGNOJ-CQSZACIVSA-N 1 2 333.388 2.295 20 5 EEBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCc1cn2c([nH+]1)CCCC2 ZINC000075435612 462718219 /nfs/dbraw/zinc/71/82/19/462718219.db2.gz MFRAQUSRSAYSDL-CMDGGOBGSA-N 1 2 340.383 2.500 20 5 EEBDLO CCc1noc([C@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000118866786 462858845 /nfs/dbraw/zinc/85/88/45/462858845.db2.gz NIEAJLNGMPPECG-QWRGUYRKSA-N 1 2 332.364 2.183 20 5 EEBDLO CCc1noc([C@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000118866786 462858849 /nfs/dbraw/zinc/85/88/49/462858849.db2.gz NIEAJLNGMPPECG-QWRGUYRKSA-N 1 2 332.364 2.183 20 5 EEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000016738720 462988606 /nfs/dbraw/zinc/98/86/06/462988606.db2.gz JJUSEPBXHRSIDL-UHFFFAOYSA-N 1 2 332.316 2.418 20 5 EEBDLO C[C@H]([C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000134853954 463087498 /nfs/dbraw/zinc/08/74/98/463087498.db2.gz JCBMWLWCLXUMFN-WDEREUQCSA-N 1 2 341.795 2.087 20 5 EEBDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000159245847 463276199 /nfs/dbraw/zinc/27/61/99/463276199.db2.gz JUHIXISLQNUYPA-LLVKDONJSA-N 1 2 340.343 2.005 20 5 EEBDLO O=C(C[N@H+]1CCCC[C@@H]1CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000070949875 463396366 /nfs/dbraw/zinc/39/63/66/463396366.db2.gz SREKAPSOEUALBN-GFCCVEGCSA-N 1 2 341.795 2.424 20 5 EEBDLO O=C(C[N@@H+]1CCCC[C@@H]1CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000070949875 463396371 /nfs/dbraw/zinc/39/63/71/463396371.db2.gz SREKAPSOEUALBN-GFCCVEGCSA-N 1 2 341.795 2.424 20 5 EEBDLO Cc1c(Br)c(NCc2[nH+]ccn2C)ncc1[N+](=O)[O-] ZINC000165764037 463646938 /nfs/dbraw/zinc/64/69/38/463646938.db2.gz GAVCNKPQSAEQRH-UHFFFAOYSA-N 1 2 326.154 2.406 20 5 EEBDLO CN(CCCn1cc[nH+]c1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000268990739 463838288 /nfs/dbraw/zinc/83/82/88/463838288.db2.gz NWAFZSYXUARBPE-UHFFFAOYSA-N 1 2 341.371 2.295 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000171702217 463908703 /nfs/dbraw/zinc/90/87/03/463908703.db2.gz WZOPTZIZQQZQJI-QWRGUYRKSA-N 1 2 339.417 2.368 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCS[C@@H](C)C1 ZINC000171702217 463908709 /nfs/dbraw/zinc/90/87/09/463908709.db2.gz WZOPTZIZQQZQJI-QWRGUYRKSA-N 1 2 339.417 2.368 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287511824 463911147 /nfs/dbraw/zinc/91/11/47/463911147.db2.gz JWFZGDDNTMCKOP-UKRRQHHQSA-N 1 2 348.403 2.230 20 5 EEBDLO Cc1cc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000284521177 464226604 /nfs/dbraw/zinc/22/66/04/464226604.db2.gz ZDEBNMJPAGJPTA-MRXNPFEDSA-N 1 2 340.387 2.249 20 5 EEBDLO CN(C[C@@H]1CCC[N@@H+]1Cn1nccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000173452940 464263312 /nfs/dbraw/zinc/26/33/12/464263312.db2.gz SQKHDLXERPJDTB-LBPRGKRZSA-N 1 2 339.396 2.080 20 5 EEBDLO CN(C[C@@H]1CCC[N@H+]1Cn1nccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000173452940 464263321 /nfs/dbraw/zinc/26/33/21/464263321.db2.gz SQKHDLXERPJDTB-LBPRGKRZSA-N 1 2 339.396 2.080 20 5 EEBDLO Cc1noc([C@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCN2C)n1 ZINC000285078994 464447887 /nfs/dbraw/zinc/44/78/87/464447887.db2.gz XWXJJPBAHYNLPK-XHDPSFHLSA-N 1 2 331.376 2.336 20 5 EEBDLO Cc1noc([C@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCN2C)n1 ZINC000285078994 464447890 /nfs/dbraw/zinc/44/78/90/464447890.db2.gz XWXJJPBAHYNLPK-XHDPSFHLSA-N 1 2 331.376 2.336 20 5 EEBDLO CCC[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC ZINC000295395425 464816347 /nfs/dbraw/zinc/81/63/47/464816347.db2.gz KDYGOWORWPNJAM-CYBMUJFWSA-N 1 2 332.360 2.325 20 5 EEBDLO Cc1cc(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc([N+](=O)[O-])c1 ZINC000276423396 464927050 /nfs/dbraw/zinc/92/70/50/464927050.db2.gz WLSPUORWLOJFQB-CZUORRHYSA-N 1 2 344.371 2.287 20 5 EEBDLO CCSCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330648981 465746690 /nfs/dbraw/zinc/74/66/90/465746690.db2.gz OAGYMJIYOVYVKS-UHFFFAOYSA-N 1 2 329.447 2.167 20 5 EEBDLO O=[N+]([O-])c1ccn(C2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)n1 ZINC000366746558 465913014 /nfs/dbraw/zinc/91/30/14/465913014.db2.gz RCMGYHBXJIEMKF-UHFFFAOYSA-N 1 2 343.391 2.023 20 5 EEBDLO O=[N+]([O-])c1ccn(C2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)n1 ZINC000366746558 465913019 /nfs/dbraw/zinc/91/30/19/465913019.db2.gz RCMGYHBXJIEMKF-UHFFFAOYSA-N 1 2 343.391 2.023 20 5 EEBDLO COc1ccc([C@H](Nc2ncc([N+](=O)[O-])cn2)c2[nH+]ccn2C)cc1 ZINC000302170985 466110484 /nfs/dbraw/zinc/11/04/84/466110484.db2.gz UQSUPPDDUVUBIS-AWEZNQCLSA-N 1 2 340.343 2.328 20 5 EEBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1ccc([N+](=O)[O-])s1 ZINC000370559916 466922793 /nfs/dbraw/zinc/92/27/93/466922793.db2.gz ZUAIZXNUSGDQMA-NEPJUHHUSA-N 1 2 339.417 2.030 20 5 EEBDLO C[C@@H]1[C@H](CO)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412066931 466992537 /nfs/dbraw/zinc/99/25/37/466992537.db2.gz DKUJANJHVFZFKY-MNOVXSKESA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@@H]1[C@H](CO)CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000412066931 466992541 /nfs/dbraw/zinc/99/25/41/466992541.db2.gz DKUJANJHVFZFKY-MNOVXSKESA-N 1 2 341.795 2.280 20 5 EEBDLO COc1cc[nH+]cc1CNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000431917329 467202871 /nfs/dbraw/zinc/20/28/71/467202871.db2.gz VUDPXPNBIMBABW-UHFFFAOYSA-N 1 2 330.344 2.306 20 5 EEBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378333723 467268296 /nfs/dbraw/zinc/26/82/96/467268296.db2.gz OEXHWZWURLCVQX-HZPDHXFCSA-N 1 2 346.387 2.042 20 5 EEBDLO Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000378333723 467268300 /nfs/dbraw/zinc/26/83/00/467268300.db2.gz OEXHWZWURLCVQX-HZPDHXFCSA-N 1 2 346.387 2.042 20 5 EEBDLO Cc1cc(NCCC2CC(O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000432857455 467269298 /nfs/dbraw/zinc/26/92/98/467269298.db2.gz CZFCOORFYPGJBW-UHFFFAOYSA-N 1 2 328.372 2.355 20 5 EEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000451939316 467289408 /nfs/dbraw/zinc/28/94/08/467289408.db2.gz ZULRLSZMOSJALB-CYBMUJFWSA-N 1 2 341.433 2.008 20 5 EEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000451939316 467289410 /nfs/dbraw/zinc/28/94/10/467289410.db2.gz ZULRLSZMOSJALB-CYBMUJFWSA-N 1 2 341.433 2.008 20 5 EEBDLO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444011745 467581513 /nfs/dbraw/zinc/58/15/13/467581513.db2.gz JQLJXVXWNQRDHZ-CYBMUJFWSA-N 1 2 335.407 2.457 20 5 EEBDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444011745 467581514 /nfs/dbraw/zinc/58/15/14/467581514.db2.gz JQLJXVXWNQRDHZ-CYBMUJFWSA-N 1 2 335.407 2.457 20 5 EEBDLO CO[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449955362 467750337 /nfs/dbraw/zinc/75/03/37/467750337.db2.gz YYKSHZLICALWOQ-CZUORRHYSA-N 1 2 344.371 2.468 20 5 EEBDLO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000450542496 467867254 /nfs/dbraw/zinc/86/72/54/467867254.db2.gz UMJXZZJAHJTTOA-NWDGAFQWSA-N 1 2 343.387 2.150 20 5 EEBDLO C[C@@H](c1nccc(N)n1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000566414009 468151350 /nfs/dbraw/zinc/15/13/50/468151350.db2.gz KUJSQOHMKLCBEA-LBPRGKRZSA-N 1 2 343.387 2.571 20 5 EEBDLO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@]1(C)CO ZINC000595877508 469058706 /nfs/dbraw/zinc/05/87/06/469058706.db2.gz UOMBBUMSHCMYJM-MEBBXXQBSA-N 1 2 341.795 2.137 20 5 EEBDLO 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Cc1nn(C[N@H+]2CCC[C@H]2C2OCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000902624262 1238068513 /nfs/dbraw/zinc/06/85/13/1238068513.db2.gz HHQCGRFQHCTSEU-AWEZNQCLSA-N 1 2 332.360 2.048 20 5 EEBDLO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851130486 1277482718 /nfs/dbraw/zinc/48/27/18/1277482718.db2.gz XNNIMVGMMKFACB-UHFFFAOYSA-N 1 2 327.287 2.221 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1Cc2ccncc2C1 ZINC000857878986 1293939812 /nfs/dbraw/zinc/93/98/12/1293939812.db2.gz WJAXBWHWPROIOO-UHFFFAOYSA-N 1 2 342.355 2.343 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1Cc2ccncc2C1 ZINC000857878986 1293939815 /nfs/dbraw/zinc/93/98/15/1293939815.db2.gz WJAXBWHWPROIOO-UHFFFAOYSA-N 1 2 342.355 2.343 20 5 EEBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1c2cc[nH+]cc2C[C@H]1C ZINC000857899964 1293946561 /nfs/dbraw/zinc/94/65/61/1293946561.db2.gz ULYFGDLSMMCNTO-SNVBAGLBSA-N 1 2 349.368 2.138 20 5 EEBDLO COCC1(C)CC[NH+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)CC1 ZINC000794641814 1296483596 /nfs/dbraw/zinc/48/35/96/1296483596.db2.gz XRFTVQCEWWCWLO-UHFFFAOYSA-N 1 2 335.360 2.209 20 5 EEBDLO CCOC(=O)c1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC001218011827 1297547486 /nfs/dbraw/zinc/54/74/86/1297547486.db2.gz XNBYCOYDQFZWLG-GFCCVEGCSA-N 1 2 330.287 2.148 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4C[C@H]5C[NH2+][C@@H]4C5)c3nc2cc1C ZINC001218491690 1297681224 /nfs/dbraw/zinc/68/12/24/1297681224.db2.gz OAELCZLJYONYSI-ZLKJLUDKSA-N 1 2 337.383 2.025 20 5 EEBDLO O=[N+]([O-])c1cncc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001227986465 1302040586 /nfs/dbraw/zinc/04/05/86/1302040586.db2.gz AGAVUNCUYGGDAE-KRWDZBQOSA-N 1 2 329.356 2.270 20 5 EEBDLO O=[N+]([O-])c1cncc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001227986465 1302040592 /nfs/dbraw/zinc/04/05/92/1302040592.db2.gz AGAVUNCUYGGDAE-KRWDZBQOSA-N 1 2 329.356 2.270 20 5 EEBDLO Cc1ccc(N(C)CCCN(C)C(=O)Cc2c[nH+]c[nH]2)c([N+](=O)[O-])c1 ZINC001112183973 1304305242 /nfs/dbraw/zinc/30/52/42/1304305242.db2.gz KCNMPEXATIMFHO-UHFFFAOYSA-N 1 2 345.403 2.154 20 5 EEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1c2cc[nH+]cc2C[C@H]1C ZINC001118849320 1308952144 /nfs/dbraw/zinc/95/21/44/1308952144.db2.gz RLSGPXALONQRKB-SNVBAGLBSA-N 1 2 333.369 2.438 20 5 EEBDLO CC(C)[C@H]1C[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000840094624 1315291951 /nfs/dbraw/zinc/29/19/51/1315291951.db2.gz IAPDGEOEYNCKSW-OAHLLOKOSA-N 1 2 335.360 2.207 20 5 EEBDLO CC(C)[C@H]1C[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000840094624 1315291957 /nfs/dbraw/zinc/29/19/57/1315291957.db2.gz IAPDGEOEYNCKSW-OAHLLOKOSA-N 1 2 335.360 2.207 20 5 EEBDLO C[N@@H+]1CCO[C@@H](CNc2nc(-c3ccccc3)ccc2[N+](=O)[O-])C1 ZINC001162683023 1320929107 /nfs/dbraw/zinc/92/91/07/1320929107.db2.gz NGWWNSNLWVREEN-AWEZNQCLSA-N 1 2 328.372 2.399 20 5 EEBDLO C[N@H+]1CCO[C@@H](CNc2nc(-c3ccccc3)ccc2[N+](=O)[O-])C1 ZINC001162683023 1320929108 /nfs/dbraw/zinc/92/91/08/1320929108.db2.gz NGWWNSNLWVREEN-AWEZNQCLSA-N 1 2 328.372 2.399 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1C ZINC001334748951 1336292040 /nfs/dbraw/zinc/29/20/40/1336292040.db2.gz ZOWLYCJYPLOXPC-UHFFFAOYSA-N 1 2 335.404 2.052 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCOCC2(C)C)c1C ZINC001334748951 1336292041 /nfs/dbraw/zinc/29/20/41/1336292041.db2.gz ZOWLYCJYPLOXPC-UHFFFAOYSA-N 1 2 335.404 2.052 20 5 EEBDLO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC001335419244 1336373294 /nfs/dbraw/zinc/37/32/94/1336373294.db2.gz DAAMRDBYSBUHPZ-UHFFFAOYSA-N 1 2 344.371 2.026 20 5 EEBDLO CCN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)CCn1cc[nH+]c1 ZINC001106904582 773919354 /nfs/dbraw/zinc/91/93/54/773919354.db2.gz YQQXPEQGLOTUKI-UHFFFAOYSA-N 1 2 349.366 2.281 20 5 EEBDLO O=C(c1ccsn1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000981423393 777363950 /nfs/dbraw/zinc/36/39/50/777363950.db2.gz CMXDFYFSAXPQDH-UHFFFAOYSA-N 1 2 346.412 2.399 20 5 EEBDLO O=C(c1ccsn1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000981423393 777363958 /nfs/dbraw/zinc/36/39/58/777363958.db2.gz CMXDFYFSAXPQDH-UHFFFAOYSA-N 1 2 346.412 2.399 20 5 EEBDLO CN(CC[NH+]1CCOCC1)c1cccc(Br)c1[N+](=O)[O-] ZINC000820652409 786424542 /nfs/dbraw/zinc/42/45/42/786424542.db2.gz QLWSYCJCCJGNOS-UHFFFAOYSA-N 1 2 344.209 2.126 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NC/C=C\CNc1cccc(F)c1[N+](=O)[O-] ZINC001107285482 786721214 /nfs/dbraw/zinc/72/12/14/786721214.db2.gz OQOAQNMGPSUOEC-IHWYPQMZSA-N 1 2 347.350 2.092 20 5 EEBDLO Cc1cn(C(C)(C)C(=O)NCCCNc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC001094864708 796843172 /nfs/dbraw/zinc/84/31/72/796843172.db2.gz VRJPTNNDCSBRBW-UHFFFAOYSA-N 1 2 345.403 2.453 20 5 EEBDLO O=C(CCn1cc[nH+]c1)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001110290535 801171344 /nfs/dbraw/zinc/17/13/44/801171344.db2.gz WRZGUMNJTKWDMG-UHFFFAOYSA-N 1 2 347.350 2.081 20 5 EEBDLO C[C@@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000922540063 801281333 /nfs/dbraw/zinc/28/13/33/801281333.db2.gz GHAJUGAQBOGQPX-WBMJQRKESA-N 1 2 331.376 2.216 20 5 EEBDLO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN(c2cccc[nH+]2)CC1 ZINC000804319979 803736533 /nfs/dbraw/zinc/73/65/33/803736533.db2.gz GIIQGXGHTLVXMM-UHFFFAOYSA-N 1 2 329.316 2.225 20 5 EEBDLO CCN1CC[NH+](C[C@@H](C)CNc2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000807930728 812389870 /nfs/dbraw/zinc/38/98/70/812389870.db2.gz VBQGPEKHOFQWHI-AWEZNQCLSA-N 1 2 348.447 2.483 20 5 EEBDLO CC(C)NC(=O)C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425384676 314382929 /nfs/dbraw/zinc/38/29/29/314382929.db2.gz NSCJGOXPBOSRIV-UHFFFAOYSA-N 1 2 344.209 2.314 20 5 EEBDLO CC(C)NC(=O)C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425384676 314382932 /nfs/dbraw/zinc/38/29/32/314382932.db2.gz NSCJGOXPBOSRIV-UHFFFAOYSA-N 1 2 344.209 2.314 20 5 EEBDLO CN(C[C@H]1CCCO1)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447815614 242320083 /nfs/dbraw/zinc/32/00/83/242320083.db2.gz GUUTUJYHHOVKMZ-OAHLLOKOSA-N 1 2 335.404 2.042 20 5 EEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000456347448 244223717 /nfs/dbraw/zinc/22/37/17/244223717.db2.gz JVQHWFXBUMHEFT-VIFPVBQESA-N 1 2 336.323 2.450 20 5 EEBDLO C[C@H]1C[C@@H](NC(=O)CCOc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456365356 244231905 /nfs/dbraw/zinc/23/19/05/244231905.db2.gz GJHQJWKNLPWUDE-NWDGAFQWSA-N 1 2 330.344 2.382 20 5 EEBDLO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000078510578 217065807 /nfs/dbraw/zinc/06/58/07/217065807.db2.gz QDZIAHRYEKVRBP-MNOVXSKESA-N 1 2 341.795 2.087 20 5 EEBDLO C[N@H+](CCn1cccn1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000111283427 220133624 /nfs/dbraw/zinc/13/36/24/220133624.db2.gz ASSFQXMFESAOAS-UHFFFAOYSA-N 1 2 337.767 2.015 20 5 EEBDLO C[N@@H+](CCn1cccn1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000111283427 220133628 /nfs/dbraw/zinc/13/36/28/220133628.db2.gz ASSFQXMFESAOAS-UHFFFAOYSA-N 1 2 337.767 2.015 20 5 EEBDLO O=C(C[N@H+]1CCCC[C@@H]1CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000267874245 256093141 /nfs/dbraw/zinc/09/31/41/256093141.db2.gz NCQRMRFAJBFUKK-LLVKDONJSA-N 1 2 327.768 2.034 20 5 EEBDLO O=C(C[N@@H+]1CCCC[C@@H]1CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000267874245 256093142 /nfs/dbraw/zinc/09/31/42/256093142.db2.gz NCQRMRFAJBFUKK-LLVKDONJSA-N 1 2 327.768 2.034 20 5 EEBDLO COc1cc(NCC(C)(C)[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000270576090 256149558 /nfs/dbraw/zinc/14/95/58/256149558.db2.gz QQHOFNJCTOZMBY-UHFFFAOYSA-N 1 2 327.356 2.265 20 5 EEBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000273948628 256340783 /nfs/dbraw/zinc/34/07/83/256340783.db2.gz HFFYEMNVBQMUNH-GFCCVEGCSA-N 1 2 338.795 2.284 20 5 EEBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000273948628 256340785 /nfs/dbraw/zinc/34/07/85/256340785.db2.gz HFFYEMNVBQMUNH-GFCCVEGCSA-N 1 2 338.795 2.284 20 5 EEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000119798620 142377521 /nfs/dbraw/zinc/37/75/21/142377521.db2.gz YDTBUPOQBATRLZ-LBPRGKRZSA-N 1 2 343.387 2.005 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CCO)c1ccco1 ZINC000346171314 152832233 /nfs/dbraw/zinc/83/22/33/152832233.db2.gz BHZDBBRIMIPMLI-GFCCVEGCSA-N 1 2 333.344 2.148 20 5 EEBDLO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000355927427 153205692 /nfs/dbraw/zinc/20/56/92/153205692.db2.gz IBRYWSRLEINXQE-UHFFFAOYSA-N 1 2 345.403 2.052 20 5 EEBDLO CC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000355927427 153205697 /nfs/dbraw/zinc/20/56/97/153205697.db2.gz IBRYWSRLEINXQE-UHFFFAOYSA-N 1 2 345.403 2.052 20 5 EEBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCN(Cc2ccon2)CC1 ZINC000255599360 160397459 /nfs/dbraw/zinc/39/74/59/160397459.db2.gz OBOMBFFURYHWCQ-HYXAFXHYSA-N 1 2 328.372 2.414 20 5 EEBDLO COc1ccc(-c2ccc(C[NH2+]Cc3nncn3C)o2)c([N+](=O)[O-])c1 ZINC000102421770 159264594 /nfs/dbraw/zinc/26/45/94/159264594.db2.gz JTYKLKZQQKONGK-UHFFFAOYSA-N 1 2 343.343 2.282 20 5 EEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000184693975 160015400 /nfs/dbraw/zinc/01/54/00/160015400.db2.gz IPPNNVQYOOPAPG-HOCLYGCPSA-N 1 2 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CC(C)[C@H](CO)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000343809619 161170266 /nfs/dbraw/zinc/17/02/66/161170266.db2.gz QCYWRLTZBLQAPS-HNNXBMFYSA-N 1 2 337.420 2.103 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000359096316 164057408 /nfs/dbraw/zinc/05/74/08/164057408.db2.gz CVNMHPPPVXPKTC-UHFFFAOYSA-N 1 2 328.372 2.409 20 5 EEBDLO Cc1ccnc(OC2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000360200291 164256315 /nfs/dbraw/zinc/25/63/15/164256315.db2.gz QGPUYNROBLZGOR-UHFFFAOYSA-N 1 2 331.376 2.075 20 5 EEBDLO CC[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000272780116 269020219 /nfs/dbraw/zinc/02/02/19/269020219.db2.gz AHUGEZURUOUSLN-JTQLQIEISA-N 1 2 347.462 2.346 20 5 EEBDLO O=[N+]([O-])c1cncc(Br)c1NCC[N@H+]1CC=CCC1 ZINC000280162562 269333382 /nfs/dbraw/zinc/33/33/82/269333382.db2.gz GNLFUYIEAZNMOB-UHFFFAOYSA-N 1 2 327.182 2.426 20 5 EEBDLO O=[N+]([O-])c1cncc(Br)c1NCC[N@@H+]1CC=CCC1 ZINC000280162562 269333384 /nfs/dbraw/zinc/33/33/84/269333384.db2.gz 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Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000361857116 466353936 /nfs/dbraw/zinc/35/39/36/466353936.db2.gz YCQPJXVUWCFOOK-ZDUSSCGKSA-N 1 2 336.392 2.054 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000361857116 466353944 /nfs/dbraw/zinc/35/39/44/466353944.db2.gz YCQPJXVUWCFOOK-ZDUSSCGKSA-N 1 2 336.392 2.054 20 5 EEBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000377527581 467080768 /nfs/dbraw/zinc/08/07/68/467080768.db2.gz YDKQZYJIRRCETN-SNVBAGLBSA-N 1 2 337.767 2.452 20 5 EEBDLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000377527581 467080771 /nfs/dbraw/zinc/08/07/71/467080771.db2.gz YDKQZYJIRRCETN-SNVBAGLBSA-N 1 2 337.767 2.452 20 5 EEBDLO C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000427990278 467191511 /nfs/dbraw/zinc/19/15/11/467191511.db2.gz IDGXTBAMPKGWQJ-WDEREUQCSA-N 1 2 332.335 2.165 20 5 EEBDLO CC[N@@H+]1CCO[C@H](c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)C1 ZINC000420489002 467422004 /nfs/dbraw/zinc/42/20/04/467422004.db2.gz UHFRVFVUGSYUON-AWEZNQCLSA-N 1 2 332.360 2.270 20 5 EEBDLO CC[N@H+]1CCO[C@H](c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)C1 ZINC000420489002 467422007 /nfs/dbraw/zinc/42/20/07/467422007.db2.gz UHFRVFVUGSYUON-AWEZNQCLSA-N 1 2 332.360 2.270 20 5 EEBDLO O=C(NC[C@H]1CCC[C@H](O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449932816 467746150 /nfs/dbraw/zinc/74/61/50/467746150.db2.gz WUVOVLNPAPOWHC-JSGCOSHPSA-N 1 2 344.371 2.061 20 5 EEBDLO COC1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000458038003 467757493 /nfs/dbraw/zinc/75/74/93/467757493.db2.gz IOPMMOQUADRHOT-UHFFFAOYSA-N 1 2 344.371 2.468 20 5 EEBDLO O=C(N[C@H]1CCCSC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450046371 467767199 /nfs/dbraw/zinc/76/71/99/467767199.db2.gz RNXDOBTZOCBRRO-LBPRGKRZSA-N 1 2 332.385 2.406 20 5 EEBDLO C[C@H]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)O1 ZINC000457359624 467807911 /nfs/dbraw/zinc/80/79/11/467807911.db2.gz JRNVWMBSUKMFQD-WCQYABFASA-N 1 2 330.344 2.078 20 5 EEBDLO C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000493309946 467884005 /nfs/dbraw/zinc/88/40/05/467884005.db2.gz HMSTZUWCMIHQTP-LRDDRELGSA-N 1 2 339.823 2.401 20 5 EEBDLO C[C@H]1C[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450833341 467916092 /nfs/dbraw/zinc/91/60/92/467916092.db2.gz SOYHGIKSOGBDTC-ONGXEEELSA-N 1 2 336.373 2.313 20 5 EEBDLO C[C@H]1SCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000592733186 468771650 /nfs/dbraw/zinc/77/16/50/468771650.db2.gz DOMXCXUHQXMPDO-ZYHUDNBSSA-N 1 2 332.385 2.404 20 5 EEBDLO CCc1ccc(S(=O)(=O)N2CCc3c[nH+]ccc32)cc1[N+](=O)[O-] ZINC000584588038 468904398 /nfs/dbraw/zinc/90/43/98/468904398.db2.gz NUSUHOCHNPBBQM-UHFFFAOYSA-N 1 2 333.369 2.304 20 5 EEBDLO Cc1c(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000602679408 469006571 /nfs/dbraw/zinc/00/65/71/469006571.db2.gz JUCWOJSXQYFKFF-OAHLLOKOSA-N 1 2 332.404 2.486 20 5 EEBDLO C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000598947684 469062576 /nfs/dbraw/zinc/06/25/76/469062576.db2.gz MQLXAMWWUNCCOC-QWRGUYRKSA-N 1 2 332.335 2.165 20 5 EEBDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000602880526 469139697 /nfs/dbraw/zinc/13/96/97/469139697.db2.gz HNWCLRZNESBZIH-OAHLLOKOSA-N 1 2 344.367 2.348 20 5 EEBDLO CN(C)c1cc[nH+]c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000612346984 469443930 /nfs/dbraw/zinc/44/39/30/469443930.db2.gz QNDVPNYYQVSLHD-UHFFFAOYSA-N 1 2 326.316 2.184 20 5 EEBDLO O=C(N[C@H]1C[C@@H]1c1cccnc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000619567384 469641211 /nfs/dbraw/zinc/64/12/11/469641211.db2.gz ZQXQEFVTIGHLQQ-CABCVRRESA-N 1 2 349.350 2.461 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609131833 469893304 /nfs/dbraw/zinc/89/33/04/469893304.db2.gz YITMZPHORJPXQU-GFCCVEGCSA-N 1 2 330.344 2.277 20 5 EEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609131576 469893654 /nfs/dbraw/zinc/89/36/54/469893654.db2.gz SKBAODVSHFPDQX-AWEZNQCLSA-N 1 2 330.344 2.034 20 5 EEBDLO CN(C)c1noc([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000339157469 485637914 /nfs/dbraw/zinc/63/79/14/485637914.db2.gz IEUFQWYELHGLEY-NSHDSACASA-N 1 2 347.375 2.129 20 5 EEBDLO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000339157469 485637917 /nfs/dbraw/zinc/63/79/17/485637917.db2.gz IEUFQWYELHGLEY-NSHDSACASA-N 1 2 347.375 2.129 20 5 EEBDLO C[C@H]1SCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000181895418 534133388 /nfs/dbraw/zinc/13/33/88/534133388.db2.gz PEXOFOUUHOUTPU-VXGBXAGGSA-N 1 2 344.458 2.194 20 5 EEBDLO C[C@H]1SCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000181895418 534133392 /nfs/dbraw/zinc/13/33/92/534133392.db2.gz PEXOFOUUHOUTPU-VXGBXAGGSA-N 1 2 344.458 2.194 20 5 EEBDLO CCC(CC)(CCO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451725038 534926117 /nfs/dbraw/zinc/92/61/17/534926117.db2.gz LUJWAERCLWFGGN-UHFFFAOYSA-N 1 2 346.387 2.452 20 5 EEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccco2)CC1 ZINC000198110827 576135480 /nfs/dbraw/zinc/13/54/80/576135480.db2.gz IYGYXTAUUWJLOX-UHFFFAOYSA-N 1 2 329.356 2.075 20 5 EEBDLO C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000727437378 576427210 /nfs/dbraw/zinc/42/72/10/576427210.db2.gz MSJMQVOGSFLONE-JTQLQIEISA-N 1 2 327.768 2.298 20 5 EEBDLO C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000727437378 576427212 /nfs/dbraw/zinc/42/72/12/576427212.db2.gz MSJMQVOGSFLONE-JTQLQIEISA-N 1 2 327.768 2.298 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000771383830 577614836 /nfs/dbraw/zinc/61/48/36/577614836.db2.gz RHHZXPIJTOHNQH-UHFFFAOYSA-N 1 2 337.299 2.231 20 5 EEBDLO Cn1c(C(=O)OCc2ccc(-n3cc[nH+]c3)cc2)ccc1[N+](=O)[O-] ZINC000754490794 577807055 /nfs/dbraw/zinc/80/70/55/577807055.db2.gz FCFIFGHLJJLKJC-UHFFFAOYSA-N 1 2 326.312 2.476 20 5 EEBDLO C[N@@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000745078117 577907617 /nfs/dbraw/zinc/90/76/17/577907617.db2.gz ATEWGPOZSMWORC-ZDUSSCGKSA-N 1 2 346.343 2.172 20 5 EEBDLO C[N@H+]1CCCC[C@H]1C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000745078117 577907618 /nfs/dbraw/zinc/90/76/18/577907618.db2.gz ATEWGPOZSMWORC-ZDUSSCGKSA-N 1 2 346.343 2.172 20 5 EEBDLO Cn1cc(N2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)cn1 ZINC000746668814 577932026 /nfs/dbraw/zinc/93/20/26/577932026.db2.gz RWPFXXAQEMEORB-UHFFFAOYSA-N 1 2 335.795 2.304 20 5 EEBDLO COC(=O)c1ccc(OC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000904492522 694402266 /nfs/dbraw/zinc/40/22/66/694402266.db2.gz XVVVZMGXLGXPSI-CYBMUJFWSA-N 1 2 336.344 2.160 20 5 EEBDLO COC(=O)c1ccc(OC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1[N+](=O)[O-] ZINC000904492522 694402270 /nfs/dbraw/zinc/40/22/70/694402270.db2.gz XVVVZMGXLGXPSI-CYBMUJFWSA-N 1 2 336.344 2.160 20 5 EEBDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931671200 1207437982 /nfs/dbraw/zinc/43/79/82/1207437982.db2.gz YJBLIUDQCIRNJN-ZDUSSCGKSA-N 1 2 330.768 2.116 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1F ZINC001039583774 1230703467 /nfs/dbraw/zinc/70/34/67/1230703467.db2.gz VPBCLZPXAYGVEI-JYYAWHABSA-N 1 2 347.390 2.056 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1F ZINC001039583774 1230703470 /nfs/dbraw/zinc/70/34/70/1230703470.db2.gz VPBCLZPXAYGVEI-JYYAWHABSA-N 1 2 347.390 2.056 20 5 EEBDLO CC/C=C(\C)C(=O)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096272038 1236938673 /nfs/dbraw/zinc/93/86/73/1236938673.db2.gz IQIOXVIQLWZTGG-SYZQJQIISA-N 1 2 346.431 2.189 20 5 EEBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CCC[C@@H]3C3OCCO3)c2)cc1 ZINC000902624343 1238069664 /nfs/dbraw/zinc/06/96/64/1238069664.db2.gz IEWWVJOBAZXMDU-MRXNPFEDSA-N 1 2 344.371 2.253 20 5 EEBDLO O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CCC[C@@H]3C3OCCO3)c2)cc1 ZINC000902624343 1238069668 /nfs/dbraw/zinc/06/96/68/1238069668.db2.gz IEWWVJOBAZXMDU-MRXNPFEDSA-N 1 2 344.371 2.253 20 5 EEBDLO Cn1cc[nH+]c1CCCOC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000802783947 1238227774 /nfs/dbraw/zinc/22/77/74/1238227774.db2.gz GJGGYGRROYSKMH-UHFFFAOYSA-N 1 2 332.360 2.306 20 5 EEBDLO O=C(NCc1cccc2c1CC[N@H+](C/C=C/Cl)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051290737 1245485935 /nfs/dbraw/zinc/48/59/35/1245485935.db2.gz DQRUJRVZUAYBGM-XJMPPPNISA-N 1 2 349.818 2.079 20 5 EEBDLO O=C(NCc1cccc2c1CC[N@@H+](C/C=C/Cl)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051290737 1245485940 /nfs/dbraw/zinc/48/59/40/1245485940.db2.gz DQRUJRVZUAYBGM-XJMPPPNISA-N 1 2 349.818 2.079 20 5 EEBDLO Cc1cc(NC[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC001068514796 1251213753 /nfs/dbraw/zinc/21/37/53/1251213753.db2.gz KDIALDHPTGHZRH-MQMHXKEQSA-N 1 2 343.387 2.176 20 5 EEBDLO COc1cc[nH+]cc1CC(=O)N(C)CCNc1ccccc1[N+](=O)[O-] ZINC001102019246 1300149300 /nfs/dbraw/zinc/14/93/00/1300149300.db2.gz YRXNSBOKDRCBAI-UHFFFAOYSA-N 1 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O=C(NCCNc1cccc[nH+]1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001336687562 1336581492 /nfs/dbraw/zinc/58/14/92/1336581492.db2.gz YIMOURMQNKTSKZ-CABCVRRESA-N 1 2 326.356 2.322 20 5 EEBDLO CC(C)[C@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794623607 1369588741 /nfs/dbraw/zinc/58/87/41/1369588741.db2.gz NPCFVICEYIXMBL-CYBMUJFWSA-N 1 2 332.360 2.489 20 5 EEBDLO CC(C)[C@H]1CCC[N@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794623607 1369588742 /nfs/dbraw/zinc/58/87/42/1369588742.db2.gz NPCFVICEYIXMBL-CYBMUJFWSA-N 1 2 332.360 2.489 20 5 EEBDLO Cc1c([N+](=O)[O-])cc(C(=O)OCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000782988908 764889446 /nfs/dbraw/zinc/88/94/46/764889446.db2.gz YBWNYBXBMKQTED-UHFFFAOYSA-N 1 2 334.288 2.255 20 5 EEBDLO O=C(CCCn1cc[nH+]c1)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107237289 786586879 /nfs/dbraw/zinc/58/68/79/786586879.db2.gz JORQTQFZBBDMHG-UPHRSURJSA-N 1 2 343.387 2.356 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)NC/C=C/CNc1ccc([N+](=O)[O-])cc1F ZINC001107566381 787671906 /nfs/dbraw/zinc/67/19/06/787671906.db2.gz PWLHXGMWXHWUOL-OWOJBTEDSA-N 1 2 347.350 2.174 20 5 EEBDLO O=C(CCc1c[nH+]c[nH]1)NC/C=C/CNc1ccc([N+](=O)[O-])cc1F ZINC001107566381 787671910 /nfs/dbraw/zinc/67/19/10/787671910.db2.gz PWLHXGMWXHWUOL-OWOJBTEDSA-N 1 2 347.350 2.174 20 5 EEBDLO O=C(CCc1[nH]cc[nH+]1)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094406775 796232755 /nfs/dbraw/zinc/23/27/55/796232755.db2.gz MGEBTNJKMDTHOA-UHFFFAOYSA-N 1 2 335.339 2.008 20 5 EEBDLO CCN(CCNc1ccccc1[N+](=O)[O-])C(=O)Cc1[nH]c[nH+]c1C ZINC001106813573 796689477 /nfs/dbraw/zinc/68/94/77/796689477.db2.gz JAXMMKLHWNMOFK-UHFFFAOYSA-N 1 2 331.376 2.129 20 5 EEBDLO COc1ccc(C[C@@H](C)[NH+]2CCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170354383 809903031 /nfs/dbraw/zinc/90/30/31/809903031.db2.gz KFSGTRXRCOVIMA-CQSZACIVSA-N 1 2 349.431 2.335 20 5 EEBDLO Nc1c(C(=O)NCCCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000178193521 232105548 /nfs/dbraw/zinc/10/55/48/232105548.db2.gz MWLZAESNGMKVEL-UHFFFAOYSA-N 1 2 329.360 2.194 20 5 EEBDLO COc1cc(C[NH+]2CCC(N(C)C(C)=O)CC2)c([N+](=O)[O-])cc1F ZINC000184258210 235348239 /nfs/dbraw/zinc/34/82/39/235348239.db2.gz FPOLIYAEVDQGOL-UHFFFAOYSA-N 1 2 339.367 2.185 20 5 EEBDLO Cc1cccc(C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000072298016 216136007 /nfs/dbraw/zinc/13/60/07/216136007.db2.gz WOMABNPXLDKJQC-GFCCVEGCSA-N 1 2 348.428 2.152 20 5 EEBDLO O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000427972705 241506025 /nfs/dbraw/zinc/50/60/25/241506025.db2.gz NBVLBVIQPCEEPZ-ZDUSSCGKSA-N 1 2 342.355 2.159 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000447815012 242319754 /nfs/dbraw/zinc/31/97/54/242319754.db2.gz CULFIFCGOLLLEN-RKVPGOIHSA-N 1 2 347.415 2.406 20 5 EEBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1cn2c([nH+]1)CCCC2 ZINC000491460785 246037491 /nfs/dbraw/zinc/03/74/91/246037491.db2.gz ABXNIQMSOTZLNO-BQYQJAHWSA-N 1 2 326.356 2.457 20 5 EEBDLO Cc1cc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000153289139 224083952 /nfs/dbraw/zinc/08/39/52/224083952.db2.gz JMVFASLIGGRZLM-UHFFFAOYSA-N 1 2 330.344 2.494 20 5 EEBDLO Cc1cc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000153289139 224083954 /nfs/dbraw/zinc/08/39/54/224083954.db2.gz JMVFASLIGGRZLM-UHFFFAOYSA-N 1 2 330.344 2.494 20 5 EEBDLO Cc1[nH+]c[nH]c1CNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000267853810 256092196 /nfs/dbraw/zinc/09/21/96/256092196.db2.gz CWZBHNIJYPFQOD-UHFFFAOYSA-N 1 2 338.751 2.365 20 5 EEBDLO C[C@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cn3)c[nH+]2)C[C@H](C)O1 ZINC000273655340 256315387 /nfs/dbraw/zinc/31/53/87/256315387.db2.gz VCINYLUGHLCDPR-QWRGUYRKSA-N 1 2 330.348 2.137 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186872335 533328150 /nfs/dbraw/zinc/32/81/50/533328150.db2.gz ZZGMBKUQDLYBOU-BFVZDQMLSA-N 1 2 341.795 2.278 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000186872335 533328157 /nfs/dbraw/zinc/32/81/57/533328157.db2.gz ZZGMBKUQDLYBOU-BFVZDQMLSA-N 1 2 341.795 2.278 20 5 EEBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000119563227 292246700 /nfs/dbraw/zinc/24/67/00/292246700.db2.gz SGIYTYLPHLNHOX-CQSZACIVSA-N 1 2 345.355 2.460 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000126183269 292306975 /nfs/dbraw/zinc/30/69/75/292306975.db2.gz NIFMCDWVQAYZRL-ZDUSSCGKSA-N 1 2 337.376 2.043 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000126183269 292306976 /nfs/dbraw/zinc/30/69/76/292306976.db2.gz NIFMCDWVQAYZRL-ZDUSSCGKSA-N 1 2 337.376 2.043 20 5 EEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000119853182 159381149 /nfs/dbraw/zinc/38/11/49/159381149.db2.gz FUUBAKDNTZICSV-NSHDSACASA-N 1 2 334.401 2.485 20 5 EEBDLO C[C@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])s3)c[nH+]2)CCO1 ZINC000190317124 160158005 /nfs/dbraw/zinc/15/80/05/160158005.db2.gz OCDQAWYJJSJDTF-JTQLQIEISA-N 1 2 335.389 2.284 20 5 EEBDLO COCCC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000338868828 160807887 /nfs/dbraw/zinc/80/78/87/160807887.db2.gz YMJVMQBGJBQLLC-UHFFFAOYSA-N 1 2 332.360 2.325 20 5 EEBDLO C[C@@H]1OCC[C@@]1(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000343673265 161157367 /nfs/dbraw/zinc/15/73/67/161157367.db2.gz QSYWGFWDISINDS-MEDUHNTESA-N 1 2 330.344 2.078 20 5 EEBDLO CC(C)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1[N+](=O)[O-] ZINC000345829317 161335802 /nfs/dbraw/zinc/33/58/02/161335802.db2.gz VBPFAQGCWBCVRU-LBPRGKRZSA-N 1 2 328.372 2.405 20 5 EEBDLO COCC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCO[C@@H]1C ZINC000352413168 162127338 /nfs/dbraw/zinc/12/73/38/162127338.db2.gz MMSKTRKIBHUEKH-MEBBXXQBSA-N 1 2 330.331 2.499 20 5 EEBDLO COCC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCO[C@@H]1C ZINC000352413168 162127340 /nfs/dbraw/zinc/12/73/40/162127340.db2.gz MMSKTRKIBHUEKH-MEBBXXQBSA-N 1 2 330.331 2.499 20 5 EEBDLO COc1c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000355624131 163252245 /nfs/dbraw/zinc/25/22/45/163252245.db2.gz RHJLWEGXOGDSBM-NSHDSACASA-N 1 2 330.344 2.346 20 5 EEBDLO Cc1cnc(NC[C@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000359672874 164150042 /nfs/dbraw/zinc/15/00/42/164150042.db2.gz KBZTYHKBGHLBPI-UONOGXRCSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1cnc(NC[C@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000359672874 164150043 /nfs/dbraw/zinc/15/00/43/164150043.db2.gz KBZTYHKBGHLBPI-UONOGXRCSA-N 1 2 348.382 2.056 20 5 EEBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000375990102 167240849 /nfs/dbraw/zinc/24/08/49/167240849.db2.gz ALBYKLMRQJMXSH-CQSZACIVSA-N 1 2 328.372 2.055 20 5 EEBDLO O=[N+]([O-])c1cnn(CC[NH+]2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000165792967 226136919 /nfs/dbraw/zinc/13/69/19/226136919.db2.gz VTFXQRUATPBDSJ-UHFFFAOYSA-N 1 2 349.822 2.263 20 5 EEBDLO O=[N+]([O-])c1cnn(CCN2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000165792967 226136922 /nfs/dbraw/zinc/13/69/22/226136922.db2.gz VTFXQRUATPBDSJ-UHFFFAOYSA-N 1 2 349.822 2.263 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000277285113 269146969 /nfs/dbraw/zinc/14/69/69/269146969.db2.gz RSTKZCSBKQDSFD-LBPRGKRZSA-N 1 2 342.355 2.007 20 5 EEBDLO CC(C)(C)[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000279722010 269302548 /nfs/dbraw/zinc/30/25/48/269302548.db2.gz IYVBXOJKKUBVDF-INIZCTEOSA-N 1 2 347.415 2.231 20 5 EEBDLO CC(C)(C)[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000279722010 269302549 /nfs/dbraw/zinc/30/25/49/269302549.db2.gz IYVBXOJKKUBVDF-INIZCTEOSA-N 1 2 347.415 2.231 20 5 EEBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CCO2 ZINC000280270798 269344914 /nfs/dbraw/zinc/34/49/14/269344914.db2.gz CYRZDXGTQVPBAW-BZNIZROVSA-N 1 2 333.344 2.116 20 5 EEBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CCO2 ZINC000280270798 269344915 /nfs/dbraw/zinc/34/49/15/269344915.db2.gz CYRZDXGTQVPBAW-BZNIZROVSA-N 1 2 333.344 2.116 20 5 EEBDLO COc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000280579251 269375279 /nfs/dbraw/zinc/37/52/79/269375279.db2.gz SRLAYRYTEOGEMI-ZBEGNZNMSA-N 1 2 340.351 2.122 20 5 EEBDLO COc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000280579251 269375280 /nfs/dbraw/zinc/37/52/80/269375280.db2.gz SRLAYRYTEOGEMI-ZBEGNZNMSA-N 1 2 340.351 2.122 20 5 EEBDLO COc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000286487414 274877024 /nfs/dbraw/zinc/87/70/24/274877024.db2.gz XCHYKXHFVDTEBG-NWDGAFQWSA-N 1 2 339.367 2.042 20 5 EEBDLO CCOc1cc(CN2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000289693809 275139838 /nfs/dbraw/zinc/13/98/38/275139838.db2.gz HBDHPVRZTRAAQB-GDBMZVCRSA-N 1 2 349.431 2.289 20 5 EEBDLO O=C(C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289990989 275168407 /nfs/dbraw/zinc/16/84/07/275168407.db2.gz SJZLOKUOFXXAIQ-GFCCVEGCSA-N 1 2 349.778 2.330 20 5 EEBDLO O=C(C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289990989 275168408 /nfs/dbraw/zinc/16/84/08/275168408.db2.gz SJZLOKUOFXXAIQ-GFCCVEGCSA-N 1 2 349.778 2.330 20 5 EEBDLO C[N@@H+]1CCO[C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000332528640 312021001 /nfs/dbraw/zinc/02/10/01/312021001.db2.gz QFXNOSYFWRXIMQ-CABCVRRESA-N 1 2 325.796 2.153 20 5 EEBDLO C[N@H+]1CCO[C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000332528640 312021003 /nfs/dbraw/zinc/02/10/03/312021003.db2.gz QFXNOSYFWRXIMQ-CABCVRRESA-N 1 2 325.796 2.153 20 5 EEBDLO CN1CCO[C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000332528640 312021005 /nfs/dbraw/zinc/02/10/05/312021005.db2.gz QFXNOSYFWRXIMQ-CABCVRRESA-N 1 2 325.796 2.153 20 5 EEBDLO CN1CCO[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000332528640 312021007 /nfs/dbraw/zinc/02/10/07/312021007.db2.gz QFXNOSYFWRXIMQ-CABCVRRESA-N 1 2 325.796 2.153 20 5 EEBDLO Cn1cc(N2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)cn1 ZINC000413183585 312814712 /nfs/dbraw/zinc/81/47/12/312814712.db2.gz 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C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000425520137 467105029 /nfs/dbraw/zinc/10/50/29/467105029.db2.gz HOTPCHGIRJNLQJ-CHWSQXEVSA-N 1 2 326.418 2.489 20 5 EEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(NCCCOC[C@H]3CCOC3)c2c1 ZINC000413149965 467178963 /nfs/dbraw/zinc/17/89/63/467178963.db2.gz CHGWECUBUQNYCR-CYBMUJFWSA-N 1 2 331.372 2.998 20 5 EEBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000428072190 467201309 /nfs/dbraw/zinc/20/13/09/467201309.db2.gz RNSOTDCDUZOIGF-GFCCVEGCSA-N 1 2 341.795 2.089 20 5 EEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000428072190 467201313 /nfs/dbraw/zinc/20/13/13/467201313.db2.gz RNSOTDCDUZOIGF-GFCCVEGCSA-N 1 2 341.795 2.089 20 5 EEBDLO Cc1cc(N(CC[NH+]2CCOCC2)Cc2ccco2)ncc1[N+](=O)[O-] ZINC000450932447 467210015 /nfs/dbraw/zinc/21/00/15/467210015.db2.gz ABLUWKVUSRQWHM-UHFFFAOYSA-N 1 2 346.387 2.230 20 5 EEBDLO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436671659 467549811 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1 2 325.340 2.031 20 5 EEBDLO O=C(N[C@H]1CCC[C@@H]1CCO)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450813951 467913058 /nfs/dbraw/zinc/91/30/58/467913058.db2.gz XPAWAVTZUJNLCY-OCCSQVGLSA-N 1 2 344.371 2.061 20 5 EEBDLO C[N@H+](Cc1cccs1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000516152590 468015043 /nfs/dbraw/zinc/01/50/43/468015043.db2.gz OUOXTOPHBYBWGS-CQSZACIVSA-N 1 2 345.380 2.420 20 5 EEBDLO C[N@@H+](Cc1cccs1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000516152590 468015047 /nfs/dbraw/zinc/01/50/47/468015047.db2.gz OUOXTOPHBYBWGS-CQSZACIVSA-N 1 2 345.380 2.420 20 5 EEBDLO C[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000516906033 468053751 /nfs/dbraw/zinc/05/37/51/468053751.db2.gz VBKVZAYVRAWERF-UHFFFAOYSA-N 1 2 347.396 2.236 20 5 EEBDLO C[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000516906033 468053752 /nfs/dbraw/zinc/05/37/52/468053752.db2.gz VBKVZAYVRAWERF-UHFFFAOYSA-N 1 2 347.396 2.236 20 5 EEBDLO Cc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000597845927 468690451 /nfs/dbraw/zinc/69/04/51/468690451.db2.gz JIMOWYZFDJUIOL-CQSZACIVSA-N 1 2 346.387 2.126 20 5 EEBDLO CC[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](CC)CO1 ZINC000593056791 468855100 /nfs/dbraw/zinc/85/51/00/468855100.db2.gz AGDTYRAQWCFNMQ-HOCLYGCPSA-N 1 2 347.415 2.373 20 5 EEBDLO CC[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](CC)CO1 ZINC000593056791 468855104 /nfs/dbraw/zinc/85/51/04/468855104.db2.gz AGDTYRAQWCFNMQ-HOCLYGCPSA-N 1 2 347.415 2.373 20 5 EEBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000593103768 468872576 /nfs/dbraw/zinc/87/25/76/468872576.db2.gz OOFZLJDBDWDYRR-AWEZNQCLSA-N 1 2 344.346 2.067 20 5 EEBDLO CCn1cc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)nn1 ZINC000602707703 469023497 /nfs/dbraw/zinc/02/34/97/469023497.db2.gz HTJHJAMTULXJGB-UHFFFAOYSA-N 1 2 346.210 2.320 20 5 EEBDLO O=[N+]([O-])c1cncc(Cl)c1N1CC[NH+](Cc2ccncc2)CC1 ZINC000589103081 469194286 /nfs/dbraw/zinc/19/42/86/469194286.db2.gz BKYIESKKSBKNCQ-UHFFFAOYSA-N 1 2 333.779 2.360 20 5 EEBDLO C[C@@H]1C[N@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596429301 469263819 /nfs/dbraw/zinc/26/38/19/469263819.db2.gz JBRMFILXRQCCTL-QWHCGFSZSA-N 1 2 330.388 2.664 20 5 EEBDLO C[C@@H]1C[N@@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596429301 469263820 /nfs/dbraw/zinc/26/38/20/469263820.db2.gz JBRMFILXRQCCTL-QWHCGFSZSA-N 1 2 330.388 2.664 20 5 EEBDLO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)c1nncn1C ZINC000602541839 469354410 /nfs/dbraw/zinc/35/44/10/469354410.db2.gz RDQBEYNMUNJNJL-LURJTMIESA-N 1 2 346.210 2.398 20 5 EEBDLO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000609050138 469889611 /nfs/dbraw/zinc/88/96/11/469889611.db2.gz UFBDERVCQQJJRI-ZDUSSCGKSA-N 1 2 329.360 2.407 20 5 EEBDLO O=C(NC[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000139639270 490674162 /nfs/dbraw/zinc/67/41/62/490674162.db2.gz TXDFLPIOURNTTP-CYBMUJFWSA-N 1 2 330.344 2.079 20 5 EEBDLO Cc1nnc(N(C)C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000427720368 490793367 /nfs/dbraw/zinc/79/33/67/490793367.db2.gz FFYFRKZGDYUWCF-UHFFFAOYSA-N 1 2 344.356 2.217 20 5 EEBDLO C[C@@H]1C[N@H+](CCNc2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000765488708 577501852 /nfs/dbraw/zinc/50/18/52/577501852.db2.gz JISSARKXWAEOJB-SNVBAGLBSA-N 1 2 344.209 2.490 20 5 EEBDLO C[C@@H]1C[N@@H+](CCNc2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000765488708 577501853 /nfs/dbraw/zinc/50/18/53/577501853.db2.gz JISSARKXWAEOJB-SNVBAGLBSA-N 1 2 344.209 2.490 20 5 EEBDLO C[C@@H](O[NH+]=C(N)COC(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000768935097 577566056 /nfs/dbraw/zinc/56/60/56/577566056.db2.gz SEJXFLSNAXHFFU-SNVBAGLBSA-N 1 2 338.364 2.235 20 5 EEBDLO CC1(O)CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000759765784 577649744 /nfs/dbraw/zinc/64/97/44/577649744.db2.gz HLUPZBOYLNSVIN-UHFFFAOYSA-N 1 2 327.768 2.034 20 5 EEBDLO CN(C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000761050168 577674922 /nfs/dbraw/zinc/67/49/22/577674922.db2.gz QZIJRXUVAQOFIF-SNVBAGLBSA-N 1 2 331.294 2.442 20 5 EEBDLO CN(C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000761050168 577674923 /nfs/dbraw/zinc/67/49/23/577674923.db2.gz QZIJRXUVAQOFIF-SNVBAGLBSA-N 1 2 331.294 2.442 20 5 EEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)OCCn2cc[nH+]c2)cc1OC ZINC000763111671 577715161 /nfs/dbraw/zinc/71/51/61/577715161.db2.gz JLKVAJXHKDJUAY-UHFFFAOYSA-N 1 2 335.316 2.056 20 5 EEBDLO Cc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)ccc1[NH+](C)C ZINC000737279237 578247837 /nfs/dbraw/zinc/24/78/37/578247837.db2.gz OSEFGNCJILECMX-UHFFFAOYSA-N 1 2 340.347 2.288 20 5 EEBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820426490 606914891 /nfs/dbraw/zinc/91/48/91/606914891.db2.gz KPYJDOZZBYDJKI-SNVBAGLBSA-N 1 2 340.343 2.331 20 5 EEBDLO CCC(=O)N1CCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000121142829 676133117 /nfs/dbraw/zinc/13/31/17/676133117.db2.gz CYEICWVCSBWDJT-UHFFFAOYSA-N 1 2 345.403 2.155 20 5 EEBDLO CCC(=O)N1CCC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000121142829 676133121 /nfs/dbraw/zinc/13/31/21/676133121.db2.gz CYEICWVCSBWDJT-UHFFFAOYSA-N 1 2 345.403 2.155 20 5 EEBDLO C[NH+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000895428715 684595577 /nfs/dbraw/zinc/59/55/77/684595577.db2.gz UNHINUHBHNGOCL-UHFFFAOYSA-N 1 2 336.150 2.428 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)Nc1cccc(Br)c1[N+](=O)[O-] ZINC000312647292 684742137 /nfs/dbraw/zinc/74/21/37/684742137.db2.gz IWJMJCUDFHWCQK-JTQLQIEISA-N 1 2 344.209 2.490 20 5 EEBDLO COCC1C[NH+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000895970178 684791189 /nfs/dbraw/zinc/79/11/89/684791189.db2.gz FEBYLYCLKHZWIO-UHFFFAOYSA-N 1 2 346.330 2.326 20 5 EEBDLO O=[N+]([O-])c1ccc(-c2nc(-c3cnccn3)no2)cc1-n1cc[nH+]c1 ZINC000904649006 694444146 /nfs/dbraw/zinc/44/41/46/694444146.db2.gz JFYYUFNQSORNGF-UHFFFAOYSA-N 1 2 335.283 2.288 20 5 EEBDLO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556550 1201927740 /nfs/dbraw/zinc/92/77/40/1201927740.db2.gz WMMACLNBRZYVSO-AWEZNQCLSA-N 1 2 348.447 2.410 20 5 EEBDLO CC1(NC(=O)c2ncc[nH]2)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001045434996 1233743674 /nfs/dbraw/zinc/74/36/74/1233743674.db2.gz BSVVSKPRHWEZFH-UHFFFAOYSA-N 1 2 349.416 2.164 20 5 EEBDLO CC(C)(C)CC(=O)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096265467 1236825637 /nfs/dbraw/zinc/82/56/37/1236825637.db2.gz DEQNSEWOSFHLGL-UHFFFAOYSA-N 1 2 348.447 2.269 20 5 EEBDLO Cc1cn(-c2cccc([N+](=O)[O-])c2)c(=O)n1CCCc1c[nH+]cn1C ZINC000902374472 1237480236 /nfs/dbraw/zinc/48/02/36/1237480236.db2.gz ZXGQJWKSBMSKOD-UHFFFAOYSA-N 1 2 341.371 2.222 20 5 EEBDLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097084340 1243684232 /nfs/dbraw/zinc/68/42/32/1243684232.db2.gz KNNPBYYVGILDLP-HAQNSBGRSA-N 1 2 347.350 2.080 20 5 EEBDLO CCC1(O)CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853498163 1292401228 /nfs/dbraw/zinc/40/12/28/1292401228.db2.gz 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346.412 2.437 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCCCNC1=O ZINC000105611270 159303288 /nfs/dbraw/zinc/30/32/88/159303288.db2.gz YSNHWMRMBMUUQX-OAHLLOKOSA-N 1 2 335.404 2.483 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000105611270 159303290 /nfs/dbraw/zinc/30/32/90/159303290.db2.gz YSNHWMRMBMUUQX-OAHLLOKOSA-N 1 2 335.404 2.483 20 5 EEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000248456289 160347428 /nfs/dbraw/zinc/34/74/28/160347428.db2.gz LMSCMZSFEAXERQ-CXAGYDPISA-N 1 2 348.355 2.001 20 5 EEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000248456289 160347430 /nfs/dbraw/zinc/34/74/30/160347430.db2.gz LMSCMZSFEAXERQ-CXAGYDPISA-N 1 2 348.355 2.001 20 5 EEBDLO O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000342031811 161033465 /nfs/dbraw/zinc/03/34/65/161033465.db2.gz DLMADWPSWIUXAF-UHFFFAOYSA-N 1 2 339.311 2.016 20 5 EEBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000353020713 162396464 /nfs/dbraw/zinc/39/64/64/162396464.db2.gz CQTPWDSMKAHSRN-BDAKNGLRSA-N 1 2 335.389 2.433 20 5 EEBDLO COc1c(C(=O)N2CCC(n3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000355453783 163195708 /nfs/dbraw/zinc/19/57/08/163195708.db2.gz GDSMKQJIYSYFDL-UHFFFAOYSA-N 1 2 330.344 2.277 20 5 EEBDLO Cc1sc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000374375117 167028292 /nfs/dbraw/zinc/02/82/92/167028292.db2.gz ZAQAVOULQAOMPE-GFCCVEGCSA-N 1 2 332.385 2.146 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000376119979 167265103 /nfs/dbraw/zinc/26/51/03/167265103.db2.gz XJTFYYNARNECQX-UHFFFAOYSA-N 1 2 344.371 2.408 20 5 EEBDLO Cc1cc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(N)c([N+](=O)[O-])c1 ZINC000124227737 222395189 /nfs/dbraw/zinc/39/51/89/222395189.db2.gz MSUGQBWYJFHRSZ-SWLSCSKDSA-N 1 2 343.387 2.405 20 5 EEBDLO CCOCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000274330282 269025731 /nfs/dbraw/zinc/02/57/31/269025731.db2.gz AAEVUHIDWAUUAK-UHFFFAOYSA-N 1 2 341.795 2.043 20 5 EEBDLO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CC2)cc1OC(F)F ZINC000277374182 269151588 /nfs/dbraw/zinc/15/15/88/269151588.db2.gz HVEDLOJELDXJHF-UHFFFAOYSA-N 1 2 343.330 2.473 20 5 EEBDLO CN(CCCCCO)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000279547775 269286846 /nfs/dbraw/zinc/28/68/46/269286846.db2.gz OTBOSUHORARVIU-UHFFFAOYSA-N 1 2 332.360 2.015 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000277569784 274311650 /nfs/dbraw/zinc/31/16/50/274311650.db2.gz LAECWUWRZWXTLU-UHFFFAOYSA-N 1 2 345.355 2.154 20 5 EEBDLO C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000288792334 275085694 /nfs/dbraw/zinc/08/56/94/275085694.db2.gz YSINTOZXZRMWFV-DYVFJYSZSA-N 1 2 347.415 2.273 20 5 EEBDLO C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000288792334 275085695 /nfs/dbraw/zinc/08/56/95/275085695.db2.gz YSINTOZXZRMWFV-DYVFJYSZSA-N 1 2 347.415 2.273 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000288910126 275090928 /nfs/dbraw/zinc/09/09/28/275090928.db2.gz KRMGFFRECONZBG-ZDUSSCGKSA-N 1 2 338.389 2.302 20 5 EEBDLO CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000288942640 275092375 /nfs/dbraw/zinc/09/23/75/275092375.db2.gz OFSSTIPIUKIJMN-NSHDSACASA-N 1 2 342.352 2.133 20 5 EEBDLO Cc1cncc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000293072483 293117804 /nfs/dbraw/zinc/11/78/04/293117804.db2.gz JCJXUBOHIGLCSC-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO C[N@@H+]1CCO[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000351235192 312374904 /nfs/dbraw/zinc/37/49/04/312374904.db2.gz QVDVOPQPJOKJKG-CQSZACIVSA-N 1 2 343.343 2.053 20 5 EEBDLO C[N@H+]1CCO[C@@H](c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)C1 ZINC000351235192 312374907 /nfs/dbraw/zinc/37/49/07/312374907.db2.gz QVDVOPQPJOKJKG-CQSZACIVSA-N 1 2 343.343 2.053 20 5 EEBDLO Cc1ccc(NC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000416719513 313301874 /nfs/dbraw/zinc/30/18/74/313301874.db2.gz DLEATEFNZSGSCK-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO COc1cccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000435976971 314935160 /nfs/dbraw/zinc/93/51/60/314935160.db2.gz WPVKCVKNAWUTLF-UHFFFAOYSA-N 1 2 344.371 2.408 20 5 EEBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000440490448 315134304 /nfs/dbraw/zinc/13/43/04/315134304.db2.gz VISPGLFVGBGQIF-QGZVFWFLSA-N 1 2 332.331 2.494 20 5 EEBDLO CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])c1[nH]c2ccccc2[nH+]1 ZINC000182257216 323370270 /nfs/dbraw/zinc/37/02/70/323370270.db2.gz OEQYEKVTXDPGEE-LBPRGKRZSA-N 1 2 342.355 2.347 20 5 EEBDLO C[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)Cn1cc[nH+]c1 ZINC000182807294 323389148 /nfs/dbraw/zinc/38/91/48/323389148.db2.gz RXDGEGBLZXBRBZ-RYUDHWBXSA-N 1 2 334.351 2.486 20 5 EEBDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000354789710 465155963 /nfs/dbraw/zinc/15/59/63/465155963.db2.gz MYKZDGUJSLJWSJ-CYBMUJFWSA-N 1 2 347.394 2.346 20 5 EEBDLO CC[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339253773 465169386 /nfs/dbraw/zinc/16/93/86/465169386.db2.gz LQYJHKWLLGLDGJ-IAGOWNOFSA-N 1 2 349.431 2.143 20 5 EEBDLO CC[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000339253773 465169393 /nfs/dbraw/zinc/16/93/93/465169393.db2.gz LQYJHKWLLGLDGJ-IAGOWNOFSA-N 1 2 349.431 2.143 20 5 EEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000578962949 468285416 /nfs/dbraw/zinc/28/54/16/468285416.db2.gz POMHKHMIOSVTRE-UHFFFAOYSA-N 1 2 339.399 2.196 20 5 EEBDLO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C)CS(=O)(=O)CC ZINC000112999122 462562816 /nfs/dbraw/zinc/56/28/16/462562816.db2.gz LUGXVPYQAFZYKI-CYBMUJFWSA-N 1 2 344.433 2.119 20 5 EEBDLO CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C)CS(=O)(=O)CC ZINC000112999122 462562819 /nfs/dbraw/zinc/56/28/19/462562819.db2.gz LUGXVPYQAFZYKI-CYBMUJFWSA-N 1 2 344.433 2.119 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCC[C@@H](CCO)C1 ZINC000590685662 468305092 /nfs/dbraw/zinc/30/50/92/468305092.db2.gz KTVQXXWGYPCBNT-ZDUSSCGKSA-N 1 2 344.371 2.015 20 5 EEBDLO C[C@@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000046269002 462665901 /nfs/dbraw/zinc/66/59/01/462665901.db2.gz TVXYNYVUAHGMLI-ZDUSSCGKSA-N 1 2 349.431 2.343 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1c(F)cccc1F ZINC000115414521 462711384 /nfs/dbraw/zinc/71/13/84/462711384.db2.gz QEXCVKVHCRHVGR-NSHDSACASA-N 1 2 339.298 2.499 20 5 EEBDLO Cc1ccnc(N2CCC[N@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000115516815 462717660 /nfs/dbraw/zinc/71/76/60/462717660.db2.gz PMOPAPVVJHJBIV-UHFFFAOYSA-N 1 2 333.417 2.467 20 5 EEBDLO Cc1ccnc(N2CCC[N@@H+](Cc3cscn3)CC2)c1[N+](=O)[O-] ZINC000115516815 462717664 /nfs/dbraw/zinc/71/76/64/462717664.db2.gz PMOPAPVVJHJBIV-UHFFFAOYSA-N 1 2 333.417 2.467 20 5 EEBDLO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000089931061 462745750 /nfs/dbraw/zinc/74/57/50/462745750.db2.gz WPEJVMMLLQCXSO-QWRGUYRKSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@H](O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000089931061 462745755 /nfs/dbraw/zinc/74/57/55/462745755.db2.gz WPEJVMMLLQCXSO-QWRGUYRKSA-N 1 2 341.795 2.280 20 5 EEBDLO CCc1cc(N2CCS(=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000065612756 462811389 /nfs/dbraw/zinc/81/13/89/462811389.db2.gz BIJGMOZHAKBTON-UHFFFAOYSA-N 1 2 346.412 2.183 20 5 EEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000521563126 468319950 /nfs/dbraw/zinc/31/99/50/468319950.db2.gz PVXQTFJQYWTQKM-UHFFFAOYSA-N 1 2 326.316 2.129 20 5 EEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000157006438 463089358 /nfs/dbraw/zinc/08/93/58/463089358.db2.gz ZLGPZZMKENKGHS-SJDLMVEWSA-N 1 2 336.413 2.260 20 5 EEBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000157006438 463089363 /nfs/dbraw/zinc/08/93/63/463089363.db2.gz ZLGPZZMKENKGHS-SJDLMVEWSA-N 1 2 336.413 2.260 20 5 EEBDLO Cc1cc(NC[C@@H]2CCC(=O)N2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000078255685 463095989 /nfs/dbraw/zinc/09/59/89/463095989.db2.gz LWCRZRRLQXVDEZ-LBPRGKRZSA-N 1 2 327.344 2.051 20 5 EEBDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc([N+](=O)[O-])c1 ZINC000121884948 463211519 /nfs/dbraw/zinc/21/15/19/463211519.db2.gz ASIJIWSBIIKOIM-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccccc1[N+](=O)[O-] ZINC000054220692 463218950 /nfs/dbraw/zinc/21/89/50/463218950.db2.gz JIEUUSUVUKYXQD-UHFFFAOYSA-N 1 2 331.397 2.444 20 5 EEBDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1ccccc1[N+](=O)[O-] ZINC000054220692 463218957 /nfs/dbraw/zinc/21/89/57/463218957.db2.gz JIEUUSUVUKYXQD-UHFFFAOYSA-N 1 2 331.397 2.444 20 5 EEBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000055430364 463321006 /nfs/dbraw/zinc/32/10/06/463321006.db2.gz YKZJHMCFEYURKZ-UHFFFAOYSA-N 1 2 327.344 2.401 20 5 EEBDLO COc1cccc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000185483426 463831219 /nfs/dbraw/zinc/83/12/19/463831219.db2.gz KELRXKHIXZJELA-NSHDSACASA-N 1 2 336.417 2.217 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000287511821 463910562 /nfs/dbraw/zinc/91/05/62/463910562.db2.gz JWFZGDDNTMCKOP-HIFRSBDPSA-N 1 2 348.403 2.230 20 5 EEBDLO Cc1[nH+]c2cc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])ccc2n1C1CC1 ZINC000283826309 464023731 /nfs/dbraw/zinc/02/37/31/464023731.db2.gz ZNRSJTXULLBZMZ-UHFFFAOYSA-N 1 2 340.343 2.241 20 5 EEBDLO O=C(NCCCNc1cccc[nH+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000195270544 464028150 /nfs/dbraw/zinc/02/81/50/464028150.db2.gz VQOMTEFDGHXZQT-UHFFFAOYSA-N 1 2 329.360 2.291 20 5 EEBDLO C[C@@H]1CSCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172519009 464097407 /nfs/dbraw/zinc/09/74/07/464097407.db2.gz QPIBLNOVYGHSKZ-LLVKDONJSA-N 1 2 332.385 2.358 20 5 EEBDLO CC(C)(C)[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000279837277 464154530 /nfs/dbraw/zinc/15/45/30/464154530.db2.gz RIXGXYYVCYQRMF-INIZCTEOSA-N 1 2 347.415 2.231 20 5 EEBDLO CC(C)(C)[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000279837277 464154533 /nfs/dbraw/zinc/15/45/33/464154533.db2.gz RIXGXYYVCYQRMF-INIZCTEOSA-N 1 2 347.415 2.231 20 5 EEBDLO CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)S1 ZINC000265741146 464667727 /nfs/dbraw/zinc/66/77/27/464667727.db2.gz GJDYUWWLFVOQTE-UHFFFAOYSA-N 1 2 348.428 2.234 20 5 EEBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000295089123 464700711 /nfs/dbraw/zinc/70/07/11/464700711.db2.gz YWDAJMGCVBSDHT-UHFFFAOYSA-N 1 2 331.332 2.380 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000265857409 464711684 /nfs/dbraw/zinc/71/16/84/464711684.db2.gz JFVLCOQODGAKEM-UHFFFAOYSA-N 1 2 331.294 2.305 20 5 EEBDLO Cc1nnc([C@@H]2C[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)[nH]1 ZINC000182814155 464733480 /nfs/dbraw/zinc/73/34/80/464733480.db2.gz GKNKHNIJCPTPDV-NHYWBVRUSA-N 1 2 331.376 2.464 20 5 EEBDLO Cc1nnc([C@@H]2C[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CCO2)[nH]1 ZINC000182814155 464733483 /nfs/dbraw/zinc/73/34/83/464733483.db2.gz GKNKHNIJCPTPDV-NHYWBVRUSA-N 1 2 331.376 2.464 20 5 EEBDLO Cc1cccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000266793423 464825079 /nfs/dbraw/zinc/82/50/79/464825079.db2.gz FZIFHPOGKVEDRF-UHFFFAOYSA-N 1 2 335.404 2.086 20 5 EEBDLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)o1 ZINC000295484338 464854443 /nfs/dbraw/zinc/85/44/43/464854443.db2.gz YWUIGHDXOWDUBN-SNVBAGLBSA-N 1 2 338.751 2.304 20 5 EEBDLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)o1 ZINC000295484338 464854445 /nfs/dbraw/zinc/85/44/45/464854445.db2.gz YWUIGHDXOWDUBN-SNVBAGLBSA-N 1 2 338.751 2.304 20 5 EEBDLO CNC(=O)c1ccc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000268299692 465010730 /nfs/dbraw/zinc/01/07/30/465010730.db2.gz XNNLXRNJJPSNGE-BLLLJJGKSA-N 1 2 343.387 2.238 20 5 EEBDLO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccncc1 ZINC000348070609 465406031 /nfs/dbraw/zinc/40/60/31/465406031.db2.gz IZEMUHGIYNHRAV-UHFFFAOYSA-N 1 2 340.383 2.401 20 5 EEBDLO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccncc1 ZINC000348070609 465406035 /nfs/dbraw/zinc/40/60/35/465406035.db2.gz IZEMUHGIYNHRAV-UHFFFAOYSA-N 1 2 340.383 2.401 20 5 EEBDLO COC(=O)c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC000351872147 465409666 /nfs/dbraw/zinc/40/96/66/465409666.db2.gz CFHZMVXRJXCQKW-UHFFFAOYSA-N 1 2 327.340 2.335 20 5 EEBDLO COC(=O)c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC000351872147 465409670 /nfs/dbraw/zinc/40/96/70/465409670.db2.gz CFHZMVXRJXCQKW-UHFFFAOYSA-N 1 2 327.340 2.335 20 5 EEBDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298968092 465551886 /nfs/dbraw/zinc/55/18/86/465551886.db2.gz MNGSBHOOTXKBEX-UHFFFAOYSA-N 1 2 327.344 2.401 20 5 EEBDLO CCC[C@H]([NH2+]C(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000353078273 465620221 /nfs/dbraw/zinc/62/02/21/465620221.db2.gz 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1200092786 /nfs/dbraw/zinc/09/27/86/1200092786.db2.gz QWXDRYFLJKNTOR-UHFFFAOYSA-N 1 2 331.294 2.014 20 5 EEBDLO CCOC(=O)[C@@H](C[C@H]1CCCO1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000886963419 1204171909 /nfs/dbraw/zinc/17/19/09/1204171909.db2.gz PXTPONKEHYJQRC-HZPDHXFCSA-N 1 2 336.388 2.228 20 5 EEBDLO CCn1c[nH+]c2c1CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C2 ZINC000933259162 1207748779 /nfs/dbraw/zinc/74/87/79/1207748779.db2.gz AUQAFWIYGHCXQK-UHFFFAOYSA-N 1 2 343.387 2.116 20 5 EEBDLO CC1(NC(=O)c2cn[nH]c2)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001045374416 1233702758 /nfs/dbraw/zinc/70/27/58/1233702758.db2.gz JLHMJTZIQLTHMS-UHFFFAOYSA-N 1 2 349.416 2.164 20 5 EEBDLO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000852048659 1291971393 /nfs/dbraw/zinc/97/13/93/1291971393.db2.gz GLAYLLDSVFUAQU-LBPRGKRZSA-N 1 2 340.380 2.382 20 5 EEBDLO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000852048659 1291971398 /nfs/dbraw/zinc/97/13/98/1291971398.db2.gz GLAYLLDSVFUAQU-LBPRGKRZSA-N 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CC[NH+]1CC(Oc2ccccc2C(=O)Nc2ncc([N+](=O)[O-])s2)C1 ZINC001227516202 1301860868 /nfs/dbraw/zinc/86/08/68/1301860868.db2.gz WNQWEHNAJSBKDQ-UHFFFAOYSA-N 1 2 348.384 2.387 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc([N+](=O)[O-])c(Br)c1 ZINC001229081104 1302601587 /nfs/dbraw/zinc/60/15/87/1302601587.db2.gz NPHPIDFDOSSVIN-JTQLQIEISA-N 1 2 345.193 2.457 20 5 EEBDLO CCOc1cc(C(=O)OCCCn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000782141648 1303970578 /nfs/dbraw/zinc/97/05/78/1303970578.db2.gz BLCOWACDADFKHO-UHFFFAOYSA-N 1 2 349.343 2.446 20 5 EEBDLO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)ccc1F ZINC001320480342 1332893697 /nfs/dbraw/zinc/89/36/97/1332893697.db2.gz MUBGXHHKVKGKQN-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC001337113750 1336646013 /nfs/dbraw/zinc/64/60/13/1336646013.db2.gz STQCQXHLJZAHAT-GASCZTMLSA-N 1 2 331.372 2.158 20 5 EEBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC001337113750 1336646015 /nfs/dbraw/zinc/64/60/15/1336646015.db2.gz STQCQXHLJZAHAT-GASCZTMLSA-N 1 2 331.372 2.158 20 5 EEBDLO CNc1nccc(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC001624821240 1352431663 /nfs/dbraw/zinc/43/16/63/1352431663.db2.gz KVGNVWWRTKXDES-UHFFFAOYSA-N 1 2 338.327 2.470 20 5 EEBDLO O=C1OCCN1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000852431611 1369271742 /nfs/dbraw/zinc/27/17/42/1369271742.db2.gz DPRHXEBUIVZIKY-GFCCVEGCSA-N 1 2 325.752 2.275 20 5 EEBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000852431611 1369271752 /nfs/dbraw/zinc/27/17/52/1369271752.db2.gz DPRHXEBUIVZIKY-GFCCVEGCSA-N 1 2 325.752 2.275 20 5 EEBDLO CC1(C)C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@@H]2COC[C@@H]21 ZINC000853514168 1369343813 /nfs/dbraw/zinc/34/38/13/1369343813.db2.gz COKMIICBODWBSD-SWLSCSKDSA-N 1 2 343.387 2.168 20 5 EEBDLO CC1(C)C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@@H]2COC[C@@H]21 ZINC000853514168 1369343816 /nfs/dbraw/zinc/34/38/16/1369343816.db2.gz COKMIICBODWBSD-SWLSCSKDSA-N 1 2 343.387 2.168 20 5 EEBDLO CCN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)CCc1c[nH]c[nH+]1 ZINC001106985869 782938910 /nfs/dbraw/zinc/93/89/10/782938910.db2.gz NLWCCBQOWFLXOA-UHFFFAOYSA-N 1 2 349.366 2.350 20 5 EEBDLO CCN(CCNc1ccc([N+](=O)[O-])cc1F)C(=O)CCc1c[nH+]c[nH]1 ZINC001106985869 782938914 /nfs/dbraw/zinc/93/89/14/782938914.db2.gz NLWCCBQOWFLXOA-UHFFFAOYSA-N 1 2 349.366 2.350 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001091359470 790433073 /nfs/dbraw/zinc/43/30/73/790433073.db2.gz AHLUQDVMSIFJNF-XBXGTLAGSA-N 1 2 343.387 2.176 20 5 EEBDLO CC(C)O[C@@H]1CCC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000844715560 789318462 /nfs/dbraw/zinc/31/84/62/789318462.db2.gz DKYZIXBYBKKZMY-CYBMUJFWSA-N 1 2 335.360 2.350 20 5 EEBDLO CC(C)O[C@@H]1CCC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000844715560 789318476 /nfs/dbraw/zinc/31/84/76/789318476.db2.gz DKYZIXBYBKKZMY-CYBMUJFWSA-N 1 2 335.360 2.350 20 5 EEBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1Oc2ccc(CCO)cc2O1 ZINC001173218418 797299295 /nfs/dbraw/zinc/29/92/95/797299295.db2.gz ASUXYZBYNIBUIP-XIKOKIGWSA-N 1 2 344.367 2.405 20 5 EEBDLO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2nnc(C(F)(F)F)n21 ZINC001169044538 803585678 /nfs/dbraw/zinc/58/56/78/803585678.db2.gz IEWQSTDDKJLTTI-OPRDCNLKSA-N 1 2 333.314 2.119 20 5 EEBDLO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2nnc(C(F)(F)F)n21 ZINC001169044538 803585680 /nfs/dbraw/zinc/58/56/80/803585680.db2.gz IEWQSTDDKJLTTI-OPRDCNLKSA-N 1 2 333.314 2.119 20 5 EEBDLO CCOc1cc(C(=O)OCCc2c[nH+]cn2C)c([N+](=O)[O-])cc1OC ZINC000788047685 807346405 /nfs/dbraw/zinc/34/64/05/807346405.db2.gz RJCUKTVBKAYLDO-UHFFFAOYSA-N 1 2 349.343 2.135 20 5 EEBDLO CC1(C)CCC(=O)N1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000808141428 812474368 /nfs/dbraw/zinc/47/43/68/812474368.db2.gz YOMRKGZYYNAFDG-UHFFFAOYSA-N 1 2 332.404 2.075 20 5 EEBDLO Cc1cc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC001517937854 1119048096 /nfs/dbraw/zinc/04/80/96/1119048096.db2.gz ZKZHAFVJDBYDNE-QWHCGFSZSA-N 1 2 336.392 2.134 20 5 EEBDLO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)c2[nH+]ccn21 ZINC000450832617 242920067 /nfs/dbraw/zinc/92/00/67/242920067.db2.gz RVLAEERCWFTCHU-BXKDBHETSA-N 1 2 336.373 2.313 20 5 EEBDLO Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000451946516 243320578 /nfs/dbraw/zinc/32/05/78/243320578.db2.gz LWPDBFXDBFSATL-JQWIXIFHSA-N 1 2 336.373 2.084 20 5 EEBDLO C[C@@H]1C[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456417495 244252862 /nfs/dbraw/zinc/25/28/62/244252862.db2.gz KLHAZCLOPRRLSO-NEPJUHHUSA-N 1 2 329.360 2.050 20 5 EEBDLO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccn(C)n1 ZINC000459800096 245252070 /nfs/dbraw/zinc/25/20/70/245252070.db2.gz WMXKYTTZVBZYSS-SECBINFHSA-N 1 2 337.767 2.271 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000184822280 296227502 /nfs/dbraw/zinc/22/75/02/296227502.db2.gz OOQRMXLMYYZHSC-ZDUSSCGKSA-N 1 2 333.388 2.248 20 5 EEBDLO Cc1ccnc(NCc2cc[nH+]c(N3CCOCC3)c2)c1[N+](=O)[O-] ZINC000265194861 247287181 /nfs/dbraw/zinc/28/71/81/247287181.db2.gz LQVQJRCGYWRJKI-UHFFFAOYSA-N 1 2 329.360 2.142 20 5 EEBDLO O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCNc1cccc[nH+]1 ZINC000266079568 248081291 /nfs/dbraw/zinc/08/12/91/248081291.db2.gz BAEXJEUCYVRKTE-UHFFFAOYSA-N 1 2 343.343 2.470 20 5 EEBDLO Cc1nc(CN2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000093273966 218209964 /nfs/dbraw/zinc/20/99/64/218209964.db2.gz MAAWOMWPINJKCB-GQCTYLIASA-N 1 2 343.387 2.117 20 5 EEBDLO Cc1nc2n(n1)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000271178284 256216612 /nfs/dbraw/zinc/21/66/12/256216612.db2.gz KGWDELVXGHCHMO-UHFFFAOYSA-N 1 2 339.302 2.112 20 5 EEBDLO Cc1nc2n(n1)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000271178284 256216613 /nfs/dbraw/zinc/21/66/13/256216613.db2.gz KGWDELVXGHCHMO-UHFFFAOYSA-N 1 2 339.302 2.112 20 5 EEBDLO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1O ZINC000270860742 256180557 /nfs/dbraw/zinc/18/05/57/256180557.db2.gz ICGNFSFCXXXVRO-RBZYPMLTSA-N 1 2 341.795 2.278 20 5 EEBDLO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1O ZINC000270860742 256180558 /nfs/dbraw/zinc/18/05/58/256180558.db2.gz ICGNFSFCXXXVRO-RBZYPMLTSA-N 1 2 341.795 2.278 20 5 EEBDLO NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000341936296 161025344 /nfs/dbraw/zinc/02/53/44/161025344.db2.gz QSXWGNVIQZIVDD-UHFFFAOYSA-N 1 2 338.327 2.091 20 5 EEBDLO COc1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)cc1[N+](=O)[O-] ZINC000342160158 161044392 /nfs/dbraw/zinc/04/43/92/161044392.db2.gz UTVGHONUDCUVKE-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO COCCC(=O)N1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000355045399 163062156 /nfs/dbraw/zinc/06/21/56/163062156.db2.gz HMIXARXUQHWTQZ-NTCAYCPXSA-N 1 2 347.415 2.179 20 5 EEBDLO Cc1cccc(CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])[nH+]1 ZINC000359851995 164184744 /nfs/dbraw/zinc/18/47/44/164184744.db2.gz XFSAYNCRGGCPEA-UHFFFAOYSA-N 1 2 335.385 2.356 20 5 EEBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000368944435 166156721 /nfs/dbraw/zinc/15/67/21/166156721.db2.gz BAMHGEXSHPOJTK-HZPDHXFCSA-N 1 2 334.372 2.044 20 5 EEBDLO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000368944435 166156723 /nfs/dbraw/zinc/15/67/23/166156723.db2.gz BAMHGEXSHPOJTK-HZPDHXFCSA-N 1 2 334.372 2.044 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000370120913 166398293 /nfs/dbraw/zinc/39/82/93/166398293.db2.gz KKXFUYJVSUZRMA-ZDUSSCGKSA-N 1 2 344.371 2.113 20 5 EEBDLO C[NH+](C)Cc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000277909736 269197193 /nfs/dbraw/zinc/19/71/93/269197193.db2.gz MHRCCTOBAHUJPE-UHFFFAOYSA-N 1 2 341.165 2.393 20 5 EEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275331852 274241516 /nfs/dbraw/zinc/24/15/16/274241516.db2.gz WDCOMCBKSFNJLL-BETUJISGSA-N 1 2 328.328 2.341 20 5 EEBDLO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000275331852 274241517 /nfs/dbraw/zinc/24/15/17/274241517.db2.gz WDCOMCBKSFNJLL-BETUJISGSA-N 1 2 328.328 2.341 20 5 EEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285011740 274664914 /nfs/dbraw/zinc/66/49/14/274664914.db2.gz IQRKTSWYLRULTJ-ZDUSSCGKSA-N 1 2 331.376 2.064 20 5 EEBDLO Cc1ccc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000289058318 275097499 /nfs/dbraw/zinc/09/74/99/275097499.db2.gz YQQMROZQTOPYOS-CYBMUJFWSA-N 1 2 338.389 2.302 20 5 EEBDLO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCn2c[nH+]cc2C1 ZINC000291118871 275272418 /nfs/dbraw/zinc/27/24/18/275272418.db2.gz NEDJDQYVTPPSMG-UHFFFAOYSA-N 1 2 340.261 2.466 20 5 EEBDLO COc1cc[nH+]cc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000353844026 278070135 /nfs/dbraw/zinc/07/01/35/278070135.db2.gz ROPXSLZWPVRUOH-UHFFFAOYSA-N 1 2 331.284 2.022 20 5 EEBDLO CCN1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1c1[nH]cc[nH+]1 ZINC000359993772 279373309 /nfs/dbraw/zinc/37/33/09/279373309.db2.gz OICUIGNPDYLJIV-CQSZACIVSA-N 1 2 349.366 2.349 20 5 EEBDLO Cc1nc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)sc1C ZINC000298194429 294442748 /nfs/dbraw/zinc/44/27/48/294442748.db2.gz XHCFGJNDSCHTBE-UHFFFAOYSA-N 1 2 333.417 2.385 20 5 EEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000451947444 301014438 /nfs/dbraw/zinc/01/44/38/301014438.db2.gz QFTJDUZBSKICJK-GXSJLCMTSA-N 1 2 336.373 2.084 20 5 EEBDLO CC(=O)c1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000302786105 311550551 /nfs/dbraw/zinc/55/05/51/311550551.db2.gz VUKJXILMJXMIQL-INIZCTEOSA-N 1 2 344.371 2.471 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000416999835 313388927 /nfs/dbraw/zinc/38/89/27/313388927.db2.gz QXDAGNHXDCPLPH-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO CC[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1[nH]cc[nH+]1 ZINC000442801659 315210894 /nfs/dbraw/zinc/21/08/94/315210894.db2.gz NPWWZCBUYHKRRM-AWEZNQCLSA-N 1 2 340.343 2.385 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CO)c3cccc(F)c3)nc2c1 ZINC000444690017 315317042 /nfs/dbraw/zinc/31/70/42/315317042.db2.gz QQOIGGWGLCFLDH-HNNXBMFYSA-N 1 2 330.319 2.433 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N1CCC2(CCO2)CC1 ZINC000558564662 318716323 /nfs/dbraw/zinc/71/63/23/318716323.db2.gz DVJCEMLDIGCKQY-UHFFFAOYSA-N 1 2 347.415 2.186 20 5 EEBDLO Cc1cc(NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)c(C)c[nH+]1 ZINC000572685917 319867831 /nfs/dbraw/zinc/86/78/31/319867831.db2.gz OUJADHHSODNIQA-UHFFFAOYSA-N 1 2 342.355 2.455 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2nccs2)CC1 ZINC000578074977 320292951 /nfs/dbraw/zinc/29/29/51/320292951.db2.gz MCIYUVDCCOVRJZ-UHFFFAOYSA-N 1 2 334.401 2.382 20 5 EEBDLO C[N@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000026346739 323318426 /nfs/dbraw/zinc/31/84/26/323318426.db2.gz JNCRDGDXJISFPO-UHFFFAOYSA-N 1 2 348.403 2.185 20 5 EEBDLO C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccccc1[N+](=O)[O-] ZINC000026346739 323318432 /nfs/dbraw/zinc/31/84/32/323318432.db2.gz JNCRDGDXJISFPO-UHFFFAOYSA-N 1 2 348.403 2.185 20 5 EEBDLO CC[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CC)C1 ZINC000339237462 465157342 /nfs/dbraw/zinc/15/73/42/465157342.db2.gz QLICGLDNYDHCHC-HOTGVXAUSA-N 1 2 349.431 2.443 20 5 EEBDLO CC[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CC)C1 ZINC000339237462 465157345 /nfs/dbraw/zinc/15/73/45/465157345.db2.gz QLICGLDNYDHCHC-HOTGVXAUSA-N 1 2 349.431 2.443 20 5 EEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCCC[C@@H]1CCO ZINC000298345060 465369634 /nfs/dbraw/zinc/36/96/34/465369634.db2.gz QBKOHMCZZMJOCR-CQSZACIVSA-N 1 2 344.371 2.158 20 5 EEBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCc1cn2c([nH+]1)CCCC2 ZINC000491093338 468298846 /nfs/dbraw/zinc/29/88/46/468298846.db2.gz QMWVWZDXFAUSHY-FPLPWBNLSA-N 1 2 340.383 2.500 20 5 EEBDLO C[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)c2nccn21 ZINC000590661001 468297543 /nfs/dbraw/zinc/29/75/43/468297543.db2.gz HRIZZINQRPBFQE-CMPLNLGQSA-N 1 2 330.344 2.358 20 5 EEBDLO Cc1c(C[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cccc1[N+](=O)[O-] ZINC000113262760 462582237 /nfs/dbraw/zinc/58/22/37/462582237.db2.gz TVSONOKJJLZYDV-LLVKDONJSA-N 1 2 326.418 2.301 20 5 EEBDLO Cc1c(C[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cccc1[N+](=O)[O-] ZINC000113262760 462582240 /nfs/dbraw/zinc/58/22/40/462582240.db2.gz TVSONOKJJLZYDV-LLVKDONJSA-N 1 2 326.418 2.301 20 5 EEBDLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000131703497 462821948 /nfs/dbraw/zinc/82/19/48/462821948.db2.gz ZPJXRYDGRPKVLT-INIZCTEOSA-N 1 2 346.339 2.229 20 5 EEBDLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000131703497 462821955 /nfs/dbraw/zinc/82/19/55/462821955.db2.gz ZPJXRYDGRPKVLT-INIZCTEOSA-N 1 2 346.339 2.229 20 5 EEBDLO CCc1cc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)on1 ZINC000078128656 463086407 /nfs/dbraw/zinc/08/64/07/463086407.db2.gz GVFILFVXAFKYFI-UHFFFAOYSA-N 1 2 341.327 2.261 20 5 EEBDLO COC(=O)C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000025913199 463143804 /nfs/dbraw/zinc/14/38/04/463143804.db2.gz FRFUDYFTTWZBIQ-UHFFFAOYSA-N 1 2 346.343 2.030 20 5 EEBDLO CC(C)C(=O)NCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157638124 463151540 /nfs/dbraw/zinc/15/15/40/463151540.db2.gz KGFLRJCIGLJMOI-UHFFFAOYSA-N 1 2 346.387 2.454 20 5 EEBDLO CC(C)C(=O)NCC[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000157638124 463151544 /nfs/dbraw/zinc/15/15/44/463151544.db2.gz KGFLRJCIGLJMOI-UHFFFAOYSA-N 1 2 346.387 2.454 20 5 EEBDLO NC(=O)c1cccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000029171497 463245012 /nfs/dbraw/zinc/24/50/12/463245012.db2.gz CEBASYFXCAWIHD-UHFFFAOYSA-N 1 2 340.383 2.016 20 5 EEBDLO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1[nH]cc[nH+]1 ZINC000097107309 463326563 /nfs/dbraw/zinc/32/65/63/463326563.db2.gz FTAXSEBHKSNWLO-UHFFFAOYSA-N 1 2 326.765 2.380 20 5 EEBDLO Cc1c(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000033236892 463419052 /nfs/dbraw/zinc/41/90/52/463419052.db2.gz ZMBCSCKPBBRNFM-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000124485616 463429922 /nfs/dbraw/zinc/42/99/22/463429922.db2.gz CWXQWDRKENZXPW-UHFFFAOYSA-N 1 2 330.363 2.447 20 5 EEBDLO COc1ccc(NC(=O)C[N@@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000083419012 463544444 /nfs/dbraw/zinc/54/44/44/463544444.db2.gz POJDPNOYGNHFEP-UHFFFAOYSA-N 1 2 339.417 2.369 20 5 EEBDLO COc1ccc(NC(=O)C[N@H+]2CCSC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000083419012 463544445 /nfs/dbraw/zinc/54/44/45/463544445.db2.gz POJDPNOYGNHFEP-UHFFFAOYSA-N 1 2 339.417 2.369 20 5 EEBDLO COc1cc[nH+]cc1COC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000286938674 463749126 /nfs/dbraw/zinc/74/91/26/463749126.db2.gz JTTSXWSRKZDDLJ-UHFFFAOYSA-N 1 2 348.311 2.129 20 5 EEBDLO C[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCSCC1 ZINC000269675419 464054719 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JGDRSEJBDXUNKH-VWYCJHECSA-N 1 2 341.795 2.278 20 5 EEBDLO C[C@@H]1CN(c2ccc(Nc3c([N+](=O)[O-])ncn3C)c[nH+]2)C[C@@H](C)O1 ZINC000298724810 465485247 /nfs/dbraw/zinc/48/52/47/465485247.db2.gz POHJGBNACXCIKT-GHMZBOCLSA-N 1 2 332.364 2.081 20 5 EEBDLO C[C@H](CS(C)(=O)=O)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000276363622 464904594 /nfs/dbraw/zinc/90/45/94/464904594.db2.gz ZLSVWHDFBSFOQE-SNVBAGLBSA-N 1 2 330.381 2.131 20 5 EEBDLO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000276363622 464904598 /nfs/dbraw/zinc/90/45/98/464904598.db2.gz ZLSVWHDFBSFOQE-SNVBAGLBSA-N 1 2 330.381 2.131 20 5 EEBDLO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCn2c[nH+]cc2C1 ZINC000295677697 464925488 /nfs/dbraw/zinc/92/54/88/464925488.db2.gz LNGGRLCDKADLPX-UHFFFAOYSA-N 1 2 325.328 2.368 20 5 EEBDLO Cc1noc([C@@H](C)[NH2+]CCC(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000348097060 465419493 /nfs/dbraw/zinc/41/94/93/465419493.db2.gz SMINDJTWALMNIM-SNVBAGLBSA-N 1 2 333.348 2.274 20 5 EEBDLO C[C@H](NC(=O)NCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000298927646 465544100 /nfs/dbraw/zinc/54/41/00/465544100.db2.gz AWVLHUGOHKBTSS-LBPRGKRZSA-N 1 2 329.360 2.462 20 5 EEBDLO CN(C[C@H]1CCCCO1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000298977147 465554808 /nfs/dbraw/zinc/55/48/08/465554808.db2.gz MXULHOGCBZTFJV-CQSZACIVSA-N 1 2 344.371 2.422 20 5 EEBDLO CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000356958841 465658889 /nfs/dbraw/zinc/65/88/89/465658889.db2.gz NYLGYYWBEGQARC-UHFFFAOYSA-N 1 2 331.376 2.097 20 5 EEBDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000356958841 465658890 /nfs/dbraw/zinc/65/88/90/465658890.db2.gz NYLGYYWBEGQARC-UHFFFAOYSA-N 1 2 331.376 2.097 20 5 EEBDLO O=C1N=NCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000593981119 468450661 /nfs/dbraw/zinc/45/06/61/468450661.db2.gz WUMZKWPEYRHLID-UHFFFAOYSA-N 1 2 337.767 2.382 20 5 EEBDLO COc1cc(C(=O)NCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000338038163 465769724 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CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)n1 ZINC000331501535 466112445 /nfs/dbraw/zinc/11/24/45/466112445.db2.gz BNEQSXLUEZGQJE-LBPRGKRZSA-N 1 2 346.391 2.395 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000361692695 466209951 /nfs/dbraw/zinc/20/99/51/466209951.db2.gz MWVMBQBJAFMXHH-UHFFFAOYSA-N 1 2 349.822 2.300 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347318464 466560903 /nfs/dbraw/zinc/56/09/03/466560903.db2.gz VCMZTCPLRQQCRF-JTQLQIEISA-N 1 2 333.323 2.489 20 5 EEBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2csnn2)cccc1[N+](=O)[O-] ZINC000412044222 466979620 /nfs/dbraw/zinc/97/96/20/466979620.db2.gz QJWLNGLRIJEGLC-ZJUUUORDSA-N 1 2 335.389 2.433 20 5 EEBDLO COc1cc(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)ccc1[N+](=O)[O-] ZINC000370954320 467053814 /nfs/dbraw/zinc/05/38/14/467053814.db2.gz SHPAVCQITGLCLH-ZDUSSCGKSA-N 1 2 344.371 2.416 20 5 EEBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](n4ccnn4)C3)nc2c1 ZINC000425496253 467099268 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347.415 2.088 20 5 EEBDLO COCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000595561861 468902843 /nfs/dbraw/zinc/90/28/43/468902843.db2.gz PFBOHCPRRLWQQP-GFCCVEGCSA-N 1 2 340.273 2.106 20 5 EEBDLO COCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000595561861 468902847 /nfs/dbraw/zinc/90/28/47/468902847.db2.gz PFBOHCPRRLWQQP-GFCCVEGCSA-N 1 2 340.273 2.106 20 5 EEBDLO CN1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1=O ZINC000595772040 469000170 /nfs/dbraw/zinc/00/01/70/469000170.db2.gz HAXUZZBDDAETOU-UHFFFAOYSA-N 1 2 331.294 2.278 20 5 EEBDLO CN1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1=O ZINC000595772040 469000175 /nfs/dbraw/zinc/00/01/75/469000175.db2.gz HAXUZZBDDAETOU-UHFFFAOYSA-N 1 2 331.294 2.278 20 5 EEBDLO C[N@@H+]1Cc2cccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2C1 ZINC000585723452 469020909 /nfs/dbraw/zinc/02/09/09/469020909.db2.gz FNLQBGIBGYYCHD-UHFFFAOYSA-N 1 2 347.396 2.482 20 5 EEBDLO C[N@H+]1Cc2cccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])c2C1 ZINC000585723452 469020915 /nfs/dbraw/zinc/02/09/15/469020915.db2.gz FNLQBGIBGYYCHD-UHFFFAOYSA-N 1 2 347.396 2.482 20 5 EEBDLO CC1CCN(c2ccc(CNc3ccc(N)c([N+](=O)[O-])n3)c[nH+]2)CC1 ZINC000596080003 469144841 /nfs/dbraw/zinc/14/48/41/469144841.db2.gz DEFDZJZLPHVTQK-UHFFFAOYSA-N 1 2 342.403 2.815 20 5 EEBDLO CCn1nccc1CN[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000596094043 469152041 /nfs/dbraw/zinc/15/20/41/469152041.db2.gz HSVBBKBBOKSMNL-MRXNPFEDSA-N 1 2 340.387 2.424 20 5 EEBDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000611139999 469172659 /nfs/dbraw/zinc/17/26/59/469172659.db2.gz FCFDSSQFELPMKY-GFCCVEGCSA-N 1 2 344.371 2.457 20 5 EEBDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000611139999 469172667 /nfs/dbraw/zinc/17/26/67/469172667.db2.gz FCFDSSQFELPMKY-GFCCVEGCSA-N 1 2 344.371 2.457 20 5 EEBDLO CC1(C)C[C@@H]([NH2+]Cc2nnc3n2CCOC3)c2cc([N+](=O)[O-])ccc21 ZINC000618988301 469489488 /nfs/dbraw/zinc/48/94/88/469489488.db2.gz NADMQBWXUHGKNZ-CQSZACIVSA-N 1 2 343.387 2.229 20 5 EEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)c2cccn2C)CC1 ZINC000610367730 470008743 /nfs/dbraw/zinc/00/87/43/470008743.db2.gz HQBKPWATJJVKIU-CQSZACIVSA-N 1 2 342.399 2.452 20 5 EEBDLO CC[N@@H+]1CCO[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 ZINC000420497193 527740120 /nfs/dbraw/zinc/74/01/20/527740120.db2.gz ALACBGMWKSTHIS-AWEZNQCLSA-N 1 2 347.375 2.026 20 5 EEBDLO CC[N@H+]1CCO[C@H](c2nc(CCNc3ccccc3[N+](=O)[O-])no2)C1 ZINC000420497193 527740124 /nfs/dbraw/zinc/74/01/24/527740124.db2.gz ALACBGMWKSTHIS-AWEZNQCLSA-N 1 2 347.375 2.026 20 5 EEBDLO COc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000120464661 536733647 /nfs/dbraw/zinc/73/36/47/536733647.db2.gz IHRYGKBUVNFEOO-CQSZACIVSA-N 1 2 343.339 2.292 20 5 EEBDLO CCOC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000728913323 576559572 /nfs/dbraw/zinc/55/95/72/576559572.db2.gz UPHMWUIZCNGKJP-NSHDSACASA-N 1 2 325.340 2.444 20 5 EEBDLO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000728913323 576559575 /nfs/dbraw/zinc/55/95/75/576559575.db2.gz UPHMWUIZCNGKJP-NSHDSACASA-N 1 2 325.340 2.444 20 5 EEBDLO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000774622300 577407012 /nfs/dbraw/zinc/40/70/12/577407012.db2.gz VACSSPVMFLJINX-RISCZKNCSA-N 1 2 332.360 2.489 20 5 EEBDLO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000774622300 577407014 /nfs/dbraw/zinc/40/70/14/577407014.db2.gz VACSSPVMFLJINX-RISCZKNCSA-N 1 2 332.360 2.489 20 5 EEBDLO COC(=O)c1cc(OCc2cc[nH+]c(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000762475442 577701804 /nfs/dbraw/zinc/70/18/04/577701804.db2.gz QKQMBJQMLLLGMM-UHFFFAOYSA-N 1 2 331.328 2.421 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC001059271681 683861890 /nfs/dbraw/zinc/86/18/90/683861890.db2.gz ANMYGUHCFGNVRH-JOCQHMNTSA-N 1 2 343.387 2.237 20 5 EEBDLO O=C(c1cc[nH]c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC001029318046 683973387 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1 2 341.795 2.089 20 5 EEBDLO CCN(CCCNC(=O)Cn1cc[nH+]c1)c1ccc(C)cc1[N+](=O)[O-] ZINC001095892120 1215353951 /nfs/dbraw/zinc/35/39/51/1215353951.db2.gz OFKQKZZQTJZVJX-UHFFFAOYSA-N 1 2 345.403 2.133 20 5 EEBDLO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(=O)N1CCCC1 ZINC000796582555 1221430000 /nfs/dbraw/zinc/43/00/00/1221430000.db2.gz QGKAQXBTCYUWGK-UHFFFAOYSA-N 1 2 332.360 2.227 20 5 EEBDLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097236141 1243863570 /nfs/dbraw/zinc/86/35/70/1243863570.db2.gz ORWZKJWXROFMBT-BETUJISGSA-N 1 2 347.350 2.080 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097262211 1243889662 /nfs/dbraw/zinc/88/96/62/1243889662.db2.gz GYGOCXSHZGQTDW-TXEJJXNPSA-N 1 2 347.350 2.149 20 5 EEBDLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097262211 1243889670 /nfs/dbraw/zinc/88/96/70/1243889670.db2.gz GYGOCXSHZGQTDW-TXEJJXNPSA-N 1 2 347.350 2.149 20 5 EEBDLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC001068514518 1251212532 /nfs/dbraw/zinc/21/25/32/1251212532.db2.gz BPRIOMDKCUQEPR-XYPYZODXSA-N 1 2 347.350 2.006 20 5 EEBDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)CO1 ZINC000855409625 1293205842 /nfs/dbraw/zinc/20/58/42/1293205842.db2.gz FECVZYNTSQCUAR-QWRGUYRKSA-N 1 2 341.795 2.087 20 5 EEBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)CO1 ZINC000855409625 1293205849 /nfs/dbraw/zinc/20/58/49/1293205849.db2.gz FECVZYNTSQCUAR-QWRGUYRKSA-N 1 2 341.795 2.087 20 5 EEBDLO CCCSc1nc(O[C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001217974471 1297540023 /nfs/dbraw/zinc/54/00/23/1297540023.db2.gz NFZSNPWMZWFCTQ-VIFPVBQESA-N 1 2 328.394 2.113 20 5 EEBDLO CCCSc1nc(O[C@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218407428 1297656357 /nfs/dbraw/zinc/65/63/57/1297656357.db2.gz PXJSWUJHSWQMBZ-BDAKNGLRSA-N 1 2 328.394 2.112 20 5 EEBDLO C/C=C(\C)C(=O)N(C)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001102416376 1301008326 /nfs/dbraw/zinc/00/83/26/1301008326.db2.gz RQGUVMVJBSDYIG-SYZQJQIISA-N 1 2 346.431 2.141 20 5 EEBDLO O=[N+]([O-])c1ncccc1OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225628765 1301100991 /nfs/dbraw/zinc/10/09/91/1301100991.db2.gz UXXNYOMUDGFLFX-HNNXBMFYSA-N 1 2 329.356 2.270 20 5 EEBDLO O=[N+]([O-])c1ncccc1OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225628765 1301100995 /nfs/dbraw/zinc/10/09/95/1301100995.db2.gz UXXNYOMUDGFLFX-HNNXBMFYSA-N 1 2 329.356 2.270 20 5 EEBDLO O=[N+]([O-])c1cc(F)cnc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001226751996 1301539160 /nfs/dbraw/zinc/53/91/60/1301539160.db2.gz VDGAYKYMFVPPPM-OAHLLOKOSA-N 1 2 347.346 2.409 20 5 EEBDLO O=[N+]([O-])c1cc(F)cnc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001226751996 1301539168 /nfs/dbraw/zinc/53/91/68/1301539168.db2.gz VDGAYKYMFVPPPM-OAHLLOKOSA-N 1 2 347.346 2.409 20 5 EEBDLO CCCSc1nc(O[C@H]2CC[N@H+](CC)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790773 1302945911 /nfs/dbraw/zinc/94/59/11/1302945911.db2.gz DGYJRLGYGKSMPF-VIFPVBQESA-N 1 2 328.394 2.066 20 5 EEBDLO CCCSc1nc(O[C@H]2CC[N@@H+](CC)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790773 1302945917 /nfs/dbraw/zinc/94/59/17/1302945917.db2.gz DGYJRLGYGKSMPF-VIFPVBQESA-N 1 2 328.394 2.066 20 5 EEBDLO O=C(Cn1cc[nH+]c1)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CCC1 ZINC001111819490 1303939960 /nfs/dbraw/zinc/93/99/60/1303939960.db2.gz DNHREVQGIVEKJO-UHFFFAOYSA-N 1 2 347.350 2.081 20 5 EEBDLO C[C@@]1(CO)CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC001116366967 1305878426 /nfs/dbraw/zinc/87/84/26/1305878426.db2.gz KEEJDHJEJQODSN-QGZVFWFLSA-N 1 2 344.371 2.015 20 5 EEBDLO C[N@@H+]1CCO[C@H](CNc2c(Br)cc(F)cc2[N+](=O)[O-])C1 ZINC001162683559 1320929883 /nfs/dbraw/zinc/92/98/83/1320929883.db2.gz IWSWDKIZSHSMKN-SECBINFHSA-N 1 2 348.172 2.239 20 5 EEBDLO C[N@H+]1CCO[C@H](CNc2c(Br)cc(F)cc2[N+](=O)[O-])C1 ZINC001162683559 1320929886 /nfs/dbraw/zinc/92/98/86/1320929886.db2.gz IWSWDKIZSHSMKN-SECBINFHSA-N 1 2 348.172 2.239 20 5 EEBDLO CC1(C)OC[C@@H](COC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)O1 ZINC000835255813 1314907472 /nfs/dbraw/zinc/90/74/72/1314907472.db2.gz TXRCBGFKWJYBAF-GFCCVEGCSA-N 1 2 347.327 2.089 20 5 EEBDLO CCOC(=O)[C@H](CC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469717 1318082784 /nfs/dbraw/zinc/08/27/84/1318082784.db2.gz YFSHUVGZRIJMOK-INIZCTEOSA-N 1 2 335.404 2.495 20 5 EEBDLO O=C(c1ccco1)N1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599301 1318139766 /nfs/dbraw/zinc/13/97/66/1318139766.db2.gz NLFFHUABSTXKDT-INIZCTEOSA-N 1 2 341.367 2.113 20 5 EEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccn2C2CC2)CC1 ZINC001324609747 1333721841 /nfs/dbraw/zinc/72/18/41/1333721841.db2.gz BCDIALXHRCFHFK-UHFFFAOYSA-N 1 2 327.388 2.448 20 5 EEBDLO Nc1c(Cl)cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)cc1[N+](=O)[O-] ZINC001344596471 1337402341 /nfs/dbraw/zinc/40/23/41/1337402341.db2.gz JZNVRHSFMQKOFS-VIFPVBQESA-N 1 2 331.731 2.031 20 5 EEBDLO Nc1c(Cl)cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)cc1[N+](=O)[O-] ZINC001344596471 1337402342 /nfs/dbraw/zinc/40/23/42/1337402342.db2.gz JZNVRHSFMQKOFS-VIFPVBQESA-N 1 2 331.731 2.031 20 5 EEBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000920767032 770857996 /nfs/dbraw/zinc/85/79/96/770857996.db2.gz GTBKQMAIWKKGCB-OAHLLOKOSA-N 1 2 346.387 2.401 20 5 EEBDLO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000138924310 790395394 /nfs/dbraw/zinc/39/53/94/790395394.db2.gz MRXWAODVSYDDNU-UKRRQHHQSA-N 1 2 335.429 2.148 20 5 EEBDLO O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001063376608 790898503 /nfs/dbraw/zinc/89/85/03/790898503.db2.gz PTAYQWITUMHHJS-CTYIDZIISA-N 1 2 343.387 2.331 20 5 EEBDLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001091515886 791038209 /nfs/dbraw/zinc/03/82/09/791038209.db2.gz WRTGINILWYRZPO-XYPYZODXSA-N 1 2 347.350 2.006 20 5 EEBDLO O=C(CCc1[nH]cc[nH+]1)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107173460 786218448 /nfs/dbraw/zinc/21/84/48/786218448.db2.gz LFJOAAHBMNPQJA-UPHRSURJSA-N 1 2 329.360 2.035 20 5 EEBDLO Nc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000823994025 788012817 /nfs/dbraw/zinc/01/28/17/788012817.db2.gz NGEHPIVQCBQOIT-SNVBAGLBSA-N 1 2 330.348 2.312 20 5 EEBDLO C[C@H](C[NH+]1CCOCC1)Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834334 791675507 /nfs/dbraw/zinc/67/55/07/791675507.db2.gz LVGGTGVHWKKHRC-SNVBAGLBSA-N 1 2 344.209 2.490 20 5 EEBDLO Nc1cc(COC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc[nH+]1 ZINC000792089324 809598031 /nfs/dbraw/zinc/59/80/31/809598031.db2.gz USHFLODKUSKGBS-UHFFFAOYSA-N 1 2 339.311 2.115 20 5 EEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000061162561 214657777 /nfs/dbraw/zinc/65/77/77/214657777.db2.gz AFQRUBNCYKQIDT-UHFFFAOYSA-N 1 2 340.343 2.314 20 5 EEBDLO Cc1cc(N)nc(S[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[nH+]1 ZINC000067428780 215143489 /nfs/dbraw/zinc/14/34/89/215143489.db2.gz GUTYSVBGQPTXJI-GFCCVEGCSA-N 1 2 345.384 2.173 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000421890205 240045704 /nfs/dbraw/zinc/04/57/04/240045704.db2.gz PAMJYQXFEQBXRV-INIZCTEOSA-N 1 2 340.383 2.393 20 5 EEBDLO CC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000495214792 247089722 /nfs/dbraw/zinc/08/97/22/247089722.db2.gz XNQKRJVLHLDONO-MEBBXXQBSA-N 1 2 341.795 2.422 20 5 EEBDLO CC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000495214792 247089725 /nfs/dbraw/zinc/08/97/25/247089725.db2.gz XNQKRJVLHLDONO-MEBBXXQBSA-N 1 2 341.795 2.422 20 5 EEBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)c2c(c1)COCO2 ZINC000265247892 247336776 /nfs/dbraw/zinc/33/67/76/247336776.db2.gz NUBCCQYAYXXBOD-INIZCTEOSA-N 1 2 348.330 2.424 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000094122454 218265768 /nfs/dbraw/zinc/26/57/68/218265768.db2.gz DFKYMKYREXZGKU-GJZGRUSLSA-N 1 2 349.431 2.359 20 5 EEBDLO Cc1cc(NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000153755292 224153343 /nfs/dbraw/zinc/15/33/43/224153343.db2.gz TXRHBEUUAPWJAZ-QWHCGFSZSA-N 1 2 336.392 2.134 20 5 EEBDLO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000154903832 224324395 /nfs/dbraw/zinc/32/43/95/224324395.db2.gz WYTOHOTYIIRNMD-UHFFFAOYSA-N 1 2 347.331 2.170 20 5 EEBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1n1cc[nH+]c1 ZINC000097097776 296540938 /nfs/dbraw/zinc/54/09/38/296540938.db2.gz FGLHTMZVQMHLOD-BXUZGUMPSA-N 1 2 330.344 2.220 20 5 EEBDLO C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCC(C)CC1 ZINC000067271100 159009346 /nfs/dbraw/zinc/00/93/46/159009346.db2.gz QTBWQLZXALTSCV-LBPRGKRZSA-N 1 2 345.403 2.321 20 5 EEBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093420301 159234816 /nfs/dbraw/zinc/23/48/16/159234816.db2.gz AUMGTZWWXQEGJF-PYISVCGKSA-N 1 2 326.418 2.361 20 5 EEBDLO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093420301 159234819 /nfs/dbraw/zinc/23/48/19/159234819.db2.gz AUMGTZWWXQEGJF-PYISVCGKSA-N 1 2 326.418 2.361 20 5 EEBDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000355171512 163101362 /nfs/dbraw/zinc/10/13/62/163101362.db2.gz ZRLKTDMZHWLHKH-WBMJQRKESA-N 1 2 332.356 2.436 20 5 EEBDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000355171512 163101367 /nfs/dbraw/zinc/10/13/67/163101367.db2.gz ZRLKTDMZHWLHKH-WBMJQRKESA-N 1 2 332.356 2.436 20 5 EEBDLO CC(C)c1nc([C@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC000376223793 167284932 /nfs/dbraw/zinc/28/49/32/167284932.db2.gz CPKPMDJGQCYBIB-NSHDSACASA-N 1 2 334.380 2.214 20 5 EEBDLO CC(C)c1nc([C@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC000376223793 167284934 /nfs/dbraw/zinc/28/49/34/167284934.db2.gz CPKPMDJGQCYBIB-NSHDSACASA-N 1 2 334.380 2.214 20 5 EEBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000122778628 222156765 /nfs/dbraw/zinc/15/67/65/222156765.db2.gz NOQHXFLSDMDXFP-GFCCVEGCSA-N 1 2 343.330 2.249 20 5 EEBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000122778628 222156768 /nfs/dbraw/zinc/15/67/68/222156768.db2.gz NOQHXFLSDMDXFP-GFCCVEGCSA-N 1 2 343.330 2.249 20 5 EEBDLO CCNC(=O)C[N@H+](CC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123001208 222198187 /nfs/dbraw/zinc/19/81/87/222198187.db2.gz IZSCNMTTXGSNEU-UHFFFAOYSA-N 1 2 344.209 2.315 20 5 EEBDLO CCNC(=O)C[N@@H+](CC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123001208 222198188 /nfs/dbraw/zinc/19/81/88/222198188.db2.gz IZSCNMTTXGSNEU-UHFFFAOYSA-N 1 2 344.209 2.315 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000279066226 269260415 /nfs/dbraw/zinc/26/04/15/269260415.db2.gz DPVZAIDOXPHWNG-NSHDSACASA-N 1 2 341.795 2.041 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000279303655 269269162 /nfs/dbraw/zinc/26/91/62/269269162.db2.gz MPHDRHLOXSCQAS-AWEZNQCLSA-N 1 2 349.431 2.052 20 5 EEBDLO CC(C)(C)[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000279722015 269302479 /nfs/dbraw/zinc/30/24/79/269302479.db2.gz IYVBXOJKKUBVDF-MRXNPFEDSA-N 1 2 347.415 2.231 20 5 EEBDLO CC(C)(C)[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCO1 ZINC000279722015 269302481 /nfs/dbraw/zinc/30/24/81/269302481.db2.gz IYVBXOJKKUBVDF-MRXNPFEDSA-N 1 2 347.415 2.231 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000279816729 269308501 /nfs/dbraw/zinc/30/85/01/269308501.db2.gz YEPQKPGSDBTDFM-LBPRGKRZSA-N 1 2 327.812 2.401 20 5 EEBDLO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@]2(CCOC2)O1 ZINC000280366529 269356584 /nfs/dbraw/zinc/35/65/84/269356584.db2.gz KCMJLLXVZSZSPV-ZBEGNZNMSA-N 1 2 333.344 2.116 20 5 EEBDLO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@]2(CCOC2)O1 ZINC000280366529 269356586 /nfs/dbraw/zinc/35/65/86/269356586.db2.gz KCMJLLXVZSZSPV-ZBEGNZNMSA-N 1 2 333.344 2.116 20 5 EEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000279073811 274430586 /nfs/dbraw/zinc/43/05/86/274430586.db2.gz FMWXXMBGDRJNSJ-LLVKDONJSA-N 1 2 341.795 2.041 20 5 EEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000287936209 275007562 /nfs/dbraw/zinc/00/75/62/275007562.db2.gz REYBLNZOYNGPIP-SMDDNHRTSA-N 1 2 345.359 2.060 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000288900565 275090463 /nfs/dbraw/zinc/09/04/63/275090463.db2.gz JMPSEOMLOVRZGM-LBPRGKRZSA-N 1 2 338.389 2.302 20 5 EEBDLO COc1cc(C(=O)N[C@H]2C[C@H](C)n3cc[nH+]c32)cc([N+](=O)[O-])c1OC ZINC000456364025 277801511 /nfs/dbraw/zinc/80/15/11/277801511.db2.gz FSFXJSRAYMSQOR-ONGXEEELSA-N 1 2 346.343 2.244 20 5 EEBDLO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](c2ccccc2)C1 ZINC000184623516 290031154 /nfs/dbraw/zinc/03/11/54/290031154.db2.gz JKGUDTVNPKAZJX-INIZCTEOSA-N 1 2 341.367 2.429 20 5 EEBDLO C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](c2ccccc2)C1 ZINC000184623516 290031156 /nfs/dbraw/zinc/03/11/56/290031156.db2.gz JKGUDTVNPKAZJX-INIZCTEOSA-N 1 2 341.367 2.429 20 5 EEBDLO CNC(=O)c1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000297410456 294236600 /nfs/dbraw/zinc/23/66/00/294236600.db2.gz MGXKAEJAQFNIEF-UHFFFAOYSA-N 1 2 341.367 2.218 20 5 EEBDLO COC(=O)[C@@H]([N@H+](C)CCc1ccccc1[N+](=O)[O-])C1(OC)CCC1 ZINC000297810347 294347361 /nfs/dbraw/zinc/34/73/61/294347361.db2.gz YAJLBKHKAIDBMF-OAHLLOKOSA-N 1 2 336.388 2.180 20 5 EEBDLO COC(=O)[C@@H]([N@@H+](C)CCc1ccccc1[N+](=O)[O-])C1(OC)CCC1 ZINC000297810347 294347362 /nfs/dbraw/zinc/34/73/62/294347362.db2.gz YAJLBKHKAIDBMF-OAHLLOKOSA-N 1 2 336.388 2.180 20 5 EEBDLO Nc1c(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000299658636 294797874 /nfs/dbraw/zinc/79/78/74/294797874.db2.gz MSMJJJPVXDNYSY-UHFFFAOYSA-N 1 2 333.323 2.059 20 5 EEBDLO Cc1ccc(CCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c[nH+]1 ZINC000301226764 294835780 /nfs/dbraw/zinc/83/57/80/294835780.db2.gz CBRHASMYVOBOOY-UHFFFAOYSA-N 1 2 335.385 2.356 20 5 EEBDLO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000451949144 301693279 /nfs/dbraw/zinc/69/32/79/301693279.db2.gz XAYQICAWSZQTSN-WDEREUQCSA-N 1 2 336.373 2.084 20 5 EEBDLO CC(C)[N@H+](CC(N)=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425386067 314383687 /nfs/dbraw/zinc/38/36/87/314383687.db2.gz RBKCBCHDLMRUFF-UHFFFAOYSA-N 1 2 330.182 2.053 20 5 EEBDLO CC(C)[N@@H+](CC(N)=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425386067 314383689 /nfs/dbraw/zinc/38/36/89/314383689.db2.gz RBKCBCHDLMRUFF-UHFFFAOYSA-N 1 2 330.182 2.053 20 5 EEBDLO O=C1OCC[C@@H]2CN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CCN12 ZINC000496844525 316293264 /nfs/dbraw/zinc/29/32/64/316293264.db2.gz GIXVGQBMBLXVKQ-CYBMUJFWSA-N 1 2 328.328 2.174 20 5 EEBDLO CCc1nn(C)c(N2CC[NH+](Cc3ccsc3)CC2)c1[N+](=O)[O-] ZINC000538742989 318044816 /nfs/dbraw/zinc/04/48/16/318044816.db2.gz OHWBPOUAWGQUSA-UHFFFAOYSA-N 1 2 335.433 2.274 20 5 EEBDLO 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MPOIDPAJUJMBTH-AWEZNQCLSA-N 1 2 332.335 2.337 20 5 EEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000598948016 469062279 /nfs/dbraw/zinc/06/22/79/469062279.db2.gz OGNXCBQMIVIOFM-GJZGRUSLSA-N 1 2 342.399 2.491 20 5 EEBDLO O=C(N1CCCC1)N1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000611253436 469209489 /nfs/dbraw/zinc/20/94/89/469209489.db2.gz CRWBEOQVAROFMU-FNORWQNLSA-N 1 2 344.415 2.441 20 5 EEBDLO CC[C@](C)(C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)OC ZINC000602446674 469319728 /nfs/dbraw/zinc/31/97/28/469319728.db2.gz HIVCSZGAOUBMKV-OAHLLOKOSA-N 1 2 341.433 2.229 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2F)CC1 ZINC000603302908 469342625 /nfs/dbraw/zinc/34/26/25/469342625.db2.gz FVUYWEIWVSMUMH-UHFFFAOYSA-N 1 2 330.319 2.091 20 5 EEBDLO C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000615996202 469350764 /nfs/dbraw/zinc/35/07/64/469350764.db2.gz ZYLQPVHHSGTALG-AWEZNQCLSA-N 1 2 349.431 2.431 20 5 EEBDLO C[C@H]1C[N@H+](CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000610277691 469999517 /nfs/dbraw/zinc/99/95/17/469999517.db2.gz VPFXWYHYSRMVRD-JTQLQIEISA-N 1 2 331.319 2.329 20 5 EEBDLO C[C@H]1C[N@@H+](CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCO1 ZINC000610277691 469999523 /nfs/dbraw/zinc/99/95/23/469999523.db2.gz VPFXWYHYSRMVRD-JTQLQIEISA-N 1 2 331.319 2.329 20 5 EEBDLO O=C(NCc1ccc(F)cn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000358389821 490763124 /nfs/dbraw/zinc/76/31/24/490763124.db2.gz LRIIAKPJCUCISN-UHFFFAOYSA-N 1 2 341.302 2.245 20 5 EEBDLO O=C(N[C@H]1CCC[C@@H]1CCO)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000187811883 534803926 /nfs/dbraw/zinc/80/39/26/534803926.db2.gz DUNNECSUZBSKJX-OCCSQVGLSA-N 1 2 344.371 2.061 20 5 EEBDLO O=[N+]([O-])c1ccc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000302761482 538145247 /nfs/dbraw/zinc/14/52/47/538145247.db2.gz KKASJLBFXNNJAG-AWEZNQCLSA-N 1 2 347.331 2.176 20 5 EEBDLO C[N@@H+](Cc1nccn1C(F)F)C[C@H](O)c1ccc([N+](=O)[O-])cc1 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MBOJJWLQNSNOOT-UHFFFAOYSA-N 1 2 344.371 2.204 20 5 EEBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000895804952 684731550 /nfs/dbraw/zinc/73/15/50/684731550.db2.gz XAPWJZSBJBMKKT-ZDUSSCGKSA-N 1 2 348.403 2.002 20 5 EEBDLO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000843787720 1187395118 /nfs/dbraw/zinc/39/51/18/1187395118.db2.gz UMPGJOPYOIGTLW-UHFFFAOYSA-N 1 2 331.303 2.341 20 5 EEBDLO O=C1CN(c2ccc([NH2+]CCc3ccc([N+](=O)[O-])cc3)cc2)CCN1 ZINC000876821845 1199787099 /nfs/dbraw/zinc/78/70/99/1199787099.db2.gz PWVFTFRIJCGSOI-UHFFFAOYSA-N 1 2 340.383 2.186 20 5 EEBDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886305842 1202490478 /nfs/dbraw/zinc/49/04/78/1202490478.db2.gz RPOPJHDYTNJAFU-WCQYABFASA-N 1 2 336.392 2.477 20 5 EEBDLO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886305842 1202490480 /nfs/dbraw/zinc/49/04/80/1202490480.db2.gz RPOPJHDYTNJAFU-WCQYABFASA-N 1 2 336.392 2.477 20 5 EEBDLO 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O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091336422 790315779 /nfs/dbraw/zinc/31/57/79/790315779.db2.gz YVODULYMGDJJJI-BETUJISGSA-N 1 2 343.387 2.257 20 5 EEBDLO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)CCc1[nH+]ccn1C ZINC001109691757 805884057 /nfs/dbraw/zinc/88/40/57/805884057.db2.gz XUVMMFYAQGQVLP-UHFFFAOYSA-N 1 2 345.403 2.222 20 5 EEBDLO O=C(CCn1cc[nH+]c1)NCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001110290550 801171603 /nfs/dbraw/zinc/17/16/03/801171603.db2.gz XKXKGLJMBKOOSA-UHFFFAOYSA-N 1 2 347.350 2.081 20 5 EEBDLO COC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168964715 803552211 /nfs/dbraw/zinc/55/22/11/803552211.db2.gz VKVZNDWGWZHJPY-SNPRPXQTSA-N 1 2 340.807 2.459 20 5 EEBDLO Cn1cc[nH+]c1CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001519819335 1119108080 /nfs/dbraw/zinc/10/80/80/1119108080.db2.gz ZUWMFRXXWWBXOS-UHFFFAOYSA-N 1 2 328.372 2.452 20 5 EEBDLO C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[NH+]1CCC(C)CC1 ZINC000067271104 215129824 /nfs/dbraw/zinc/12/98/24/215129824.db2.gz QTBWQLZXALTSCV-GFCCVEGCSA-N 1 2 345.403 2.321 20 5 EEBDLO O=C(N[C@@H]1CC12CCOCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456214394 244186339 /nfs/dbraw/zinc/18/63/39/244186339.db2.gz IRRKRKBIXYZVET-OAHLLOKOSA-N 1 2 342.355 2.079 20 5 EEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000456360197 244229889 /nfs/dbraw/zinc/22/98/89/244229889.db2.gz RKPLIDXTLKNXBN-JTQLQIEISA-N 1 2 348.359 2.319 20 5 EEBDLO CO[C@@H]([C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000456597065 244298293 /nfs/dbraw/zinc/29/82/93/244298293.db2.gz OLNQZKQXDCQXSI-BZNIZROVSA-N 1 2 344.371 2.324 20 5 EEBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](O)CC ZINC000456671611 244322919 /nfs/dbraw/zinc/32/29/19/244322919.db2.gz OXDXKURKQSVPES-DOMZBBRYSA-N 1 2 332.360 2.060 20 5 EEBDLO CC1(C2CC[NH+](CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)OCCO1 ZINC000268103889 256113420 /nfs/dbraw/zinc/11/34/20/256113420.db2.gz LHFWGLIYCOOZTL-UHFFFAOYSA-N 1 2 349.387 2.008 20 5 EEBDLO COc1cccc(C(=O)NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000192769481 533412573 /nfs/dbraw/zinc/41/25/73/533412573.db2.gz IXJGVRPGBJCZKP-UHFFFAOYSA-N 1 2 326.312 2.181 20 5 EEBDLO C[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000183572628 533618364 /nfs/dbraw/zinc/61/83/64/533618364.db2.gz WXWXEAFWMYTUDS-FZMZJTMJSA-N 1 2 330.348 2.301 20 5 EEBDLO CC[C@@H](C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000343596859 161149879 /nfs/dbraw/zinc/14/98/79/161149879.db2.gz ARVGXEWGZSSIQY-DGCLKSJQSA-N 1 2 326.397 2.137 20 5 EEBDLO Cc1ccnc(NC[C@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000359637914 164142961 /nfs/dbraw/zinc/14/29/61/164142961.db2.gz KODJZJABKMHGRI-UONOGXRCSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1ccnc(NC[C@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000359637914 164142962 /nfs/dbraw/zinc/14/29/62/164142962.db2.gz KODJZJABKMHGRI-UONOGXRCSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1ccnc(NC[C@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000359637915 164143150 /nfs/dbraw/zinc/14/31/50/164143150.db2.gz KODJZJABKMHGRI-ZIAGYGMSSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1ccnc(NC[C@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000359637915 164143153 /nfs/dbraw/zinc/14/31/53/164143153.db2.gz KODJZJABKMHGRI-ZIAGYGMSSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1ccc2[nH+]c(CNC(=O)c3cccc([N+](=O)[O-])c3N)cn2c1 ZINC000361105519 164428051 /nfs/dbraw/zinc/42/80/51/164428051.db2.gz VHTUHCDNDQQSEQ-UHFFFAOYSA-N 1 2 325.328 2.063 20 5 EEBDLO Cc1c(C[N@@H+]2CCc3ccccc3[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000369260584 166223079 /nfs/dbraw/zinc/22/30/79/166223079.db2.gz WQVWPGWPTAVNGY-QGZVFWFLSA-N 1 2 325.368 2.488 20 5 EEBDLO Cc1c(C[N@H+]2CCc3ccccc3[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000369260584 166223080 /nfs/dbraw/zinc/22/30/80/166223080.db2.gz WQVWPGWPTAVNGY-QGZVFWFLSA-N 1 2 325.368 2.488 20 5 EEBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000374410581 167036944 /nfs/dbraw/zinc/03/69/44/167036944.db2.gz HYEUCXYGXYFYSH-UZYOAWRESA-N 1 2 326.356 2.498 20 5 EEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279485730 269281910 /nfs/dbraw/zinc/28/19/10/269281910.db2.gz HHFZOSNDOQBQLE-VIFPVBQESA-N 1 2 340.742 2.331 20 5 EEBDLO C[C@H](C[NH+]1CCOCC1)N(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000278572801 274375268 /nfs/dbraw/zinc/37/52/68/274375268.db2.gz BYEFNJHAHVQJOZ-CYBMUJFWSA-N 1 2 330.388 2.300 20 5 EEBDLO COc1cncc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000290347897 275200067 /nfs/dbraw/zinc/20/00/67/275200067.db2.gz PVNIYRBZSCUPQR-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](CO)CC1 ZINC000294479201 293464341 /nfs/dbraw/zinc/46/43/41/293464341.db2.gz ISSJZYYGWDJYNX-ZDUSSCGKSA-N 1 2 344.371 2.015 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Nc2ccncc2[N+](=O)[O-])CC1(C)C ZINC000297742304 294329213 /nfs/dbraw/zinc/32/92/13/294329213.db2.gz LATBSAALNWXPIQ-GFCCVEGCSA-N 1 2 330.348 2.338 20 5 EEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000126048265 304809478 /nfs/dbraw/zinc/80/94/78/304809478.db2.gz OUSXCDSORXNEBY-LBPRGKRZSA-N 1 2 336.373 2.234 20 5 EEBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(O)(C(F)F)CC2)c2c(c1)COCO2 ZINC000332225241 311972342 /nfs/dbraw/zinc/97/23/42/311972342.db2.gz NVKCIEUNGGXIAN-UHFFFAOYSA-N 1 2 344.314 2.053 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1csnn1 ZINC000412041656 312604264 /nfs/dbraw/zinc/60/42/64/312604264.db2.gz NPQZKCSOYMELIN-SNVBAGLBSA-N 1 2 335.389 2.434 20 5 EEBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415629356 313154344 /nfs/dbraw/zinc/15/43/44/313154344.db2.gz HTUXHOUDEZQRIQ-QMMMGPOBSA-N 1 2 332.282 2.100 20 5 EEBDLO Cc1cc(NC(=O)NC(C)(C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000416980979 313381312 /nfs/dbraw/zinc/38/13/12/313381312.db2.gz ZMFUSVXNWJLYHW-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO Cc1cc(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc(C)[nH+]1 ZINC000421575635 314120524 /nfs/dbraw/zinc/12/05/24/314120524.db2.gz KMDIDJIESQLSSM-UHFFFAOYSA-N 1 2 329.312 2.265 20 5 EEBDLO CO[C@@H]1C[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1OC ZINC000425448697 314397213 /nfs/dbraw/zinc/39/72/13/314397213.db2.gz SCJCIIPURHUOSF-CHWSQXEVSA-N 1 2 345.193 2.203 20 5 EEBDLO Cc1cc(C[NH+]2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)on1 ZINC000505610485 316364556 /nfs/dbraw/zinc/36/45/56/316364556.db2.gz MMIPWERVEHAYCJ-UHFFFAOYSA-N 1 2 334.351 2.348 20 5 EEBDLO O=C(NCCOc1ccc([N+](=O)[O-])cc1)Nc1ccn2cc[nH+]c2c1 ZINC000565978486 319231914 /nfs/dbraw/zinc/23/19/14/319231914.db2.gz QYRAAVQVEQPHOK-UHFFFAOYSA-N 1 2 341.327 2.443 20 5 EEBDLO CC(C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000566568466 319301247 /nfs/dbraw/zinc/30/12/47/319301247.db2.gz SWBRWRDLRRBKOK-GFCCVEGCSA-N 1 2 328.372 2.405 20 5 EEBDLO C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000571016274 319717260 /nfs/dbraw/zinc/71/72/60/319717260.db2.gz FWVVQIQTEIGBBD-WMLDXEAASA-N 1 2 347.415 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327.768 2.032 20 5 EEBDLO Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc[nH+]1 ZINC000127853322 462588657 /nfs/dbraw/zinc/58/86/57/462588657.db2.gz UWHWLHLKFJHERC-UHFFFAOYSA-N 1 2 342.355 2.387 20 5 EEBDLO Cc1cc(N)nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)[nH+]1 ZINC000007048719 462718873 /nfs/dbraw/zinc/71/88/73/462718873.db2.gz PHZNPIGKBDRBOB-UHFFFAOYSA-N 1 2 334.357 2.434 20 5 EEBDLO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2ncccc2F)CC1 ZINC000090632493 462805205 /nfs/dbraw/zinc/80/52/05/462805205.db2.gz MDUBXJRBKAMQGJ-UHFFFAOYSA-N 1 2 346.362 2.330 20 5 EEBDLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000016482978 462981169 /nfs/dbraw/zinc/98/11/69/462981169.db2.gz ARTQFWQPBFOEPI-STQMWFEESA-N 1 2 349.387 2.197 20 5 EEBDLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000016482978 462981170 /nfs/dbraw/zinc/98/11/70/462981170.db2.gz ARTQFWQPBFOEPI-STQMWFEESA-N 1 2 349.387 2.197 20 5 EEBDLO COc1ccc(C[NH+]2CCN(Cc3cc(C)on3)CC2)cc1[N+](=O)[O-] 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COc1cccc(NCc2cc[nH+]c(N3CCOCC3)c2)c1[N+](=O)[O-] ZINC000185167469 463766831 /nfs/dbraw/zinc/76/68/31/463766831.db2.gz DZWFDNYSBWVBKM-UHFFFAOYSA-N 1 2 344.371 2.447 20 5 EEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000171064045 463773450 /nfs/dbraw/zinc/77/34/50/463773450.db2.gz PPYSWPUQZVLECP-UHFFFAOYSA-N 1 2 344.371 2.424 20 5 EEBDLO Cc1ccc(NC(=O)NCC[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000171068144 463775404 /nfs/dbraw/zinc/77/54/04/463775404.db2.gz JDJSXKZPPFMEJA-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO Cc1ccc(NC(=O)NCC[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000171068144 463775408 /nfs/dbraw/zinc/77/54/08/463775408.db2.gz JDJSXKZPPFMEJA-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO CCOc1cc(C[N@H+](CCO)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000276848687 463780057 /nfs/dbraw/zinc/78/00/57/463780057.db2.gz DJLIVWPWWAOKTH-UHFFFAOYSA-N 1 2 331.372 2.383 20 5 EEBDLO CCOc1cc(C[N@@H+](CCO)Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000276848687 463780064 /nfs/dbraw/zinc/78/00/64/463780064.db2.gz DJLIVWPWWAOKTH-UHFFFAOYSA-N 1 2 331.372 2.383 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000277037237 463851353 /nfs/dbraw/zinc/85/13/53/463851353.db2.gz GZUOIVXFMGCKAW-UHFFFAOYSA-N 1 2 348.384 2.300 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000277037237 463851356 /nfs/dbraw/zinc/85/13/56/463851356.db2.gz GZUOIVXFMGCKAW-UHFFFAOYSA-N 1 2 348.384 2.300 20 5 EEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178402607 463894921 /nfs/dbraw/zinc/89/49/21/463894921.db2.gz QALUGVLAKAWYPC-UHFFFAOYSA-N 1 2 346.368 2.029 20 5 EEBDLO CC(C)c1n[nH]c(C(=O)NCCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000269395513 463976364 /nfs/dbraw/zinc/97/63/64/463976364.db2.gz SDMKVBZLXMUCJB-UHFFFAOYSA-N 1 2 342.359 2.062 20 5 EEBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269636481 464041914 /nfs/dbraw/zinc/04/19/14/464041914.db2.gz HMDIKNKCWGEHBR-IAGOWNOFSA-N 1 2 344.367 2.474 20 5 EEBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269636481 464041920 /nfs/dbraw/zinc/04/19/20/464041920.db2.gz HMDIKNKCWGEHBR-IAGOWNOFSA-N 1 2 344.367 2.474 20 5 EEBDLO C[C@H]1COC[C@H](C)N1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000172575618 464109857 /nfs/dbraw/zinc/10/98/57/464109857.db2.gz HRESRXPXRMWWCY-RYUDHWBXSA-N 1 2 330.344 2.030 20 5 EEBDLO CSCCC[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281323736 464414011 /nfs/dbraw/zinc/41/40/11/464414011.db2.gz IWUKXNMQUGULMJ-UHFFFAOYSA-N 1 2 332.447 2.053 20 5 EEBDLO CSCCC[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281323736 464414015 /nfs/dbraw/zinc/41/40/15/464414015.db2.gz IWUKXNMQUGULMJ-UHFFFAOYSA-N 1 2 332.447 2.053 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H](C)Cn2cc[nH+]c2)c1 ZINC000281702333 464553966 /nfs/dbraw/zinc/55/39/66/464553966.db2.gz WBIDVRGWLDSLJD-AWEZNQCLSA-N 1 2 346.387 2.321 20 5 EEBDLO CCn1cc[nH+]c1/C=C/C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000492419309 468416313 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ZINC000302142107 294933227 /nfs/dbraw/zinc/93/32/27/294933227.db2.gz FKWOKPYGPSBVFK-AWEZNQCLSA-N 1 2 340.343 2.328 20 5 EEBDLO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000126048080 304809410 /nfs/dbraw/zinc/80/94/10/304809410.db2.gz OUSXCDSORXNEBY-GFCCVEGCSA-N 1 2 336.373 2.234 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1-c1noc(C[N@H+](C)Cc2ccccc2)n1 ZINC000350899986 312351039 /nfs/dbraw/zinc/35/10/39/312351039.db2.gz KZEOLVBSPQWRSJ-UHFFFAOYSA-N 1 2 328.332 2.010 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1-c1noc(C[N@@H+](C)Cc2ccccc2)n1 ZINC000350899986 312351040 /nfs/dbraw/zinc/35/10/40/312351040.db2.gz KZEOLVBSPQWRSJ-UHFFFAOYSA-N 1 2 328.332 2.010 20 5 EEBDLO Cc1cc(N[C@@H](C)C(=O)NC(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000413579583 312894315 /nfs/dbraw/zinc/89/43/15/312894315.db2.gz YWWWFZYOBPSRGU-LBPRGKRZSA-N 1 2 343.387 2.107 20 5 EEBDLO CCCC[N@H+](CC(N)=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425400161 314386947 /nfs/dbraw/zinc/38/69/47/314386947.db2.gz CAXNZMUMTQEIMI-UHFFFAOYSA-N 1 2 344.209 2.445 20 5 EEBDLO CCCC[N@@H+](CC(N)=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425400161 314386950 /nfs/dbraw/zinc/38/69/50/314386950.db2.gz CAXNZMUMTQEIMI-UHFFFAOYSA-N 1 2 344.209 2.445 20 5 EEBDLO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CC2)c(OC(F)F)c1 ZINC000433799378 314796010 /nfs/dbraw/zinc/79/60/10/314796010.db2.gz QZENUCWBDRGPID-UHFFFAOYSA-N 1 2 343.330 2.473 20 5 EEBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000440490446 315134024 /nfs/dbraw/zinc/13/40/24/315134024.db2.gz VISPGLFVGBGQIF-KRWDZBQOSA-N 1 2 332.331 2.494 20 5 EEBDLO O=C(NCCC[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456743279 315684743 /nfs/dbraw/zinc/68/47/43/315684743.db2.gz LBVAPRIJKWMWLP-ZDUSSCGKSA-N 1 2 344.371 2.327 20 5 EEBDLO C[C@@H](C(=O)Nc1c[nH+]ccc1-n1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000565270712 319167473 /nfs/dbraw/zinc/16/74/73/319167473.db2.gz RDRKDTGZCVDBAH-LLVKDONJSA-N 1 2 338.327 2.313 20 5 EEBDLO O=[N+]([O-])c1ccc(O)cc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000339040992 465043729 /nfs/dbraw/zinc/04/37/29/465043729.db2.gz LQNJLMSNJYQINW-UHFFFAOYSA-N 1 2 328.372 2.013 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296045764 465062028 /nfs/dbraw/zinc/06/20/28/465062028.db2.gz YVVUGUZAXHWZES-HNNXBMFYSA-N 1 2 344.371 2.317 20 5 EEBDLO CC1(C)C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000339148106 465108486 /nfs/dbraw/zinc/10/84/86/465108486.db2.gz LNRCMWHBNJKSDG-KRWDZBQOSA-N 1 2 336.388 2.460 20 5 EEBDLO CC1(C)C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000339148106 465108488 /nfs/dbraw/zinc/10/84/88/465108488.db2.gz LNRCMWHBNJKSDG-KRWDZBQOSA-N 1 2 336.388 2.460 20 5 EEBDLO CC[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCCO1 ZINC000341413605 465152297 /nfs/dbraw/zinc/15/22/97/465152297.db2.gz UYHCLSNNOAOOCD-INIZCTEOSA-N 1 2 349.431 2.432 20 5 EEBDLO CC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339259169 465172897 /nfs/dbraw/zinc/17/28/97/465172897.db2.gz WMUOVDLYFXOQEN-HOTGVXAUSA-N 1 2 335.404 2.100 20 5 EEBDLO CC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339259169 465172902 /nfs/dbraw/zinc/17/29/02/465172902.db2.gz WMUOVDLYFXOQEN-HOTGVXAUSA-N 1 2 335.404 2.100 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000339475939 465295678 /nfs/dbraw/zinc/29/56/78/465295678.db2.gz IPRXLWCYKMFOEH-LBPRGKRZSA-N 1 2 346.412 2.437 20 5 EEBDLO Cn1ccnc1[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)CO ZINC000590656222 468296904 /nfs/dbraw/zinc/29/69/04/468296904.db2.gz JTECPRLBIYXFNM-CQSZACIVSA-N 1 2 336.367 2.317 20 5 EEBDLO Cn1cc[nH+]c1[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C(C)(C)CO ZINC000590656222 468296908 /nfs/dbraw/zinc/29/69/08/468296908.db2.gz JTECPRLBIYXFNM-CQSZACIVSA-N 1 2 336.367 2.317 20 5 EEBDLO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000065162960 462739764 /nfs/dbraw/zinc/73/97/64/462739764.db2.gz OYVHFVJDCWAEDW-UHFFFAOYSA-N 1 2 341.367 2.261 20 5 EEBDLO COc1ccc2c(c1)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000065162960 462739768 /nfs/dbraw/zinc/73/97/68/462739768.db2.gz OYVHFVJDCWAEDW-UHFFFAOYSA-N 1 2 341.367 2.261 20 5 EEBDLO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCCNc1cccc[nH+]1 ZINC000066043981 462848395 /nfs/dbraw/zinc/84/83/95/462848395.db2.gz NBKVSWFCKYSJFV-UHFFFAOYSA-N 1 2 339.355 2.173 20 5 EEBDLO COc1cc(C(=O)Nc2cc(C)[nH+]cc2C)c([N+](=O)[O-])cc1OC ZINC000535748337 468325126 /nfs/dbraw/zinc/32/51/26/468325126.db2.gz GSTWOMRWWAIPOH-UHFFFAOYSA-N 1 2 331.328 2.298 20 5 EEBDLO CCN(CC)C(=O)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051182519 463024832 /nfs/dbraw/zinc/02/48/32/463024832.db2.gz PICRGMMMRZXYKQ-UHFFFAOYSA-N 1 2 334.420 2.483 20 5 EEBDLO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000135634200 463185564 /nfs/dbraw/zinc/18/55/64/463185564.db2.gz MESSIBSGRXANKF-AWEZNQCLSA-N 1 2 343.387 2.276 20 5 EEBDLO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000135634200 463185569 /nfs/dbraw/zinc/18/55/69/463185569.db2.gz MESSIBSGRXANKF-AWEZNQCLSA-N 1 2 343.387 2.276 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCc1nccs1 ZINC000157976927 463192434 /nfs/dbraw/zinc/19/24/34/463192434.db2.gz SUSMXWOOMVOPBI-UHFFFAOYSA-N 1 2 334.401 2.473 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCc1nccs1 ZINC000157976927 463192440 /nfs/dbraw/zinc/19/24/40/463192440.db2.gz SUSMXWOOMVOPBI-UHFFFAOYSA-N 1 2 334.401 2.473 20 5 EEBDLO O=C(Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000054135869 463211264 /nfs/dbraw/zinc/21/12/64/463211264.db2.gz DDYCMMCPKKPMTQ-UKRRQHHQSA-N 1 2 326.356 2.490 20 5 EEBDLO CN1CC[NH+](Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])o3)c2)CC1 ZINC000057053807 463448251 /nfs/dbraw/zinc/44/82/51/463448251.db2.gz IBLBTSUNQPRORX-UHFFFAOYSA-N 1 2 344.371 2.188 20 5 EEBDLO Cc1c[nH+]ccc1NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073081840 463580945 /nfs/dbraw/zinc/58/09/45/463580945.db2.gz FRWZSHNGDOIZMB-UHFFFAOYSA-N 1 2 329.312 2.251 20 5 EEBDLO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1n1cc[nH+]c1 ZINC000284291328 464139872 /nfs/dbraw/zinc/13/98/72/464139872.db2.gz GBEPJNCGLBKVFR-BONVTDFDSA-N 1 2 347.350 2.236 20 5 EEBDLO CCOC(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000188375064 464266560 /nfs/dbraw/zinc/26/65/60/464266560.db2.gz PPHIBEZSVIPVFU-UHFFFAOYSA-N 1 2 332.360 2.325 20 5 EEBDLO Cc1cc(=O)n2nc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)sc2n1 ZINC000180436194 464310611 /nfs/dbraw/zinc/31/06/11/464310611.db2.gz KKJZZXHJDLHMKE-SNVBAGLBSA-N 1 2 345.384 2.218 20 5 EEBDLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000174741623 464444657 /nfs/dbraw/zinc/44/46/57/464444657.db2.gz HNMREEWWWAWNRX-JTQLQIEISA-N 1 2 328.365 2.214 20 5 EEBDLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000174741623 464444662 /nfs/dbraw/zinc/44/46/62/464444662.db2.gz HNMREEWWWAWNRX-JTQLQIEISA-N 1 2 328.365 2.214 20 5 EEBDLO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000175314822 464524159 /nfs/dbraw/zinc/52/41/59/464524159.db2.gz ZJNJKQCSWUPLMV-UHFFFAOYSA-N 1 2 339.760 2.395 20 5 EEBDLO COC[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000265775049 464682056 /nfs/dbraw/zinc/68/20/56/464682056.db2.gz JNTBPQMMYWAESK-JTQLQIEISA-N 1 2 327.768 2.155 20 5 EEBDLO COC[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000265775049 464682063 /nfs/dbraw/zinc/68/20/63/464682063.db2.gz JNTBPQMMYWAESK-JTQLQIEISA-N 1 2 327.768 2.155 20 5 EEBDLO COc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000192178397 464881377 /nfs/dbraw/zinc/88/13/77/464881377.db2.gz QKMDYNLIHLRBKG-NSHDSACASA-N 1 2 339.417 2.369 20 5 EEBDLO COc1ccc(NC(=O)C[N@H+]2CCS[C@@H](C)CC2)c([N+](=O)[O-])c1 ZINC000192178397 464881386 /nfs/dbraw/zinc/88/13/86/464881386.db2.gz QKMDYNLIHLRBKG-NSHDSACASA-N 1 2 339.417 2.369 20 5 EEBDLO COCCO[C@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184288025 464961939 /nfs/dbraw/zinc/96/19/39/464961939.db2.gz VHQFAXCLHHDGAO-ZDUSSCGKSA-N 1 2 342.367 2.370 20 5 EEBDLO COCCO[C@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184288025 464961945 /nfs/dbraw/zinc/96/19/45/464961945.db2.gz VHQFAXCLHHDGAO-ZDUSSCGKSA-N 1 2 342.367 2.370 20 5 EEBDLO Cc1c(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000359553233 465450404 /nfs/dbraw/zinc/45/04/04/465450404.db2.gz RKFZQWKTBLZQDB-CQSZACIVSA-N 1 2 343.387 2.336 20 5 EEBDLO CCN1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1c1ncc[nH]1 ZINC000348413751 465590235 /nfs/dbraw/zinc/59/02/35/465590235.db2.gz XAIGMRIFYCCAFQ-OAHLLOKOSA-N 1 2 345.403 2.205 20 5 EEBDLO CCN1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1c1ncc[nH]1 ZINC000348413751 465590242 /nfs/dbraw/zinc/59/02/42/465590242.db2.gz XAIGMRIFYCCAFQ-OAHLLOKOSA-N 1 2 345.403 2.205 20 5 EEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c[nH]1 ZINC000339955595 465634910 /nfs/dbraw/zinc/63/49/10/465634910.db2.gz QRRKEOFUBREODB-UHFFFAOYSA-N 1 2 339.149 2.319 20 5 EEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1c[nH]c[nH+]1 ZINC000339955595 465634916 /nfs/dbraw/zinc/63/49/16/465634916.db2.gz QRRKEOFUBREODB-UHFFFAOYSA-N 1 2 339.149 2.319 20 5 EEBDLO CCC[C@@](C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000299274952 465678256 /nfs/dbraw/zinc/67/82/56/465678256.db2.gz MLMCDVLJKGJSPN-MRXNPFEDSA-N 1 2 337.376 2.245 20 5 EEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000348786776 465792313 /nfs/dbraw/zinc/79/23/13/465792313.db2.gz VQCATYVZCCUIFX-FQDRTLPPSA-N 1 2 336.413 2.117 20 5 EEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000348786776 465792322 /nfs/dbraw/zinc/79/23/22/465792322.db2.gz VQCATYVZCCUIFX-FQDRTLPPSA-N 1 2 336.413 2.117 20 5 EEBDLO CC[C@H]1C[N@H+](CCNc2cc(OC)c(F)cc2[N+](=O)[O-])CCO1 ZINC000362661460 465919293 /nfs/dbraw/zinc/91/92/93/465919293.db2.gz FAMMGRZJFJKHOF-NSHDSACASA-N 1 2 327.356 2.265 20 5 EEBDLO CC[C@H]1C[N@@H+](CCNc2cc(OC)c(F)cc2[N+](=O)[O-])CCO1 ZINC000362661460 465919296 /nfs/dbraw/zinc/91/92/96/465919296.db2.gz FAMMGRZJFJKHOF-NSHDSACASA-N 1 2 327.356 2.265 20 5 EEBDLO CNC(=O)[C@@H](C)CN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301490090 465971820 /nfs/dbraw/zinc/97/18/20/465971820.db2.gz LYYKQSOGVCRGBN-NSHDSACASA-N 1 2 343.387 2.179 20 5 EEBDLO COC(=O)c1cnc(NCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1 ZINC000302769744 466181862 /nfs/dbraw/zinc/18/18/62/466181862.db2.gz MORXQCOEUVGZQZ-UHFFFAOYSA-N 1 2 341.327 2.307 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000363354711 466363507 /nfs/dbraw/zinc/36/35/07/466363507.db2.gz BFLALKLMTJMWTM-CYBMUJFWSA-N 1 2 344.371 2.437 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000363354711 466363510 /nfs/dbraw/zinc/36/35/10/466363510.db2.gz BFLALKLMTJMWTM-CYBMUJFWSA-N 1 2 344.371 2.437 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000369347846 466728110 /nfs/dbraw/zinc/72/81/10/466728110.db2.gz GOTLMLLXBHPXHP-NSHDSACASA-N 1 2 332.335 2.487 20 5 EEBDLO 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CC[C@@H]1C[C@@H](C)C[N@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794637207 1296501507 /nfs/dbraw/zinc/50/15/07/1296501507.db2.gz QNVXUEBVSJTCHR-VXGBXAGGSA-N 1 2 332.360 2.489 20 5 EEBDLO O=C(CCCF)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001228693469 1302383898 /nfs/dbraw/zinc/38/38/98/1302383898.db2.gz NIZDPYVLWDMVTG-UHFFFAOYSA-N 1 2 329.397 2.487 20 5 EEBDLO C[N@@H+]1CCO[C@@H](COc2c(Br)c(F)ccc2[N+](=O)[O-])C1 ZINC001230687352 1303391351 /nfs/dbraw/zinc/39/13/51/1303391351.db2.gz FXGAKMUXXUVOCK-MRVPVSSYSA-N 1 2 349.156 2.206 20 5 EEBDLO C[N@H+]1CCO[C@@H](COc2c(Br)c(F)ccc2[N+](=O)[O-])C1 ZINC001230687352 1303391358 /nfs/dbraw/zinc/39/13/58/1303391358.db2.gz FXGAKMUXXUVOCK-MRVPVSSYSA-N 1 2 349.156 2.206 20 5 EEBDLO C[N@@H+]1CCO[C@@H](COc2ccc3nc4ccc(=O)cc-4oc3c2)C1 ZINC001231335297 1303739376 /nfs/dbraw/zinc/73/93/76/1303739376.db2.gz OKSXOQGCNYZLCB-CQSZACIVSA-N 1 2 326.352 2.002 20 5 EEBDLO C[N@H+]1CCO[C@@H](COc2ccc3nc4ccc(=O)cc-4oc3c2)C1 ZINC001231335297 1303739381 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EEBDLO COC(=O)C1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC001254464847 1318080117 /nfs/dbraw/zinc/08/01/17/1318080117.db2.gz KLCHCRGOUYGXQE-UHFFFAOYSA-N 1 2 333.388 2.249 20 5 EEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001308077511 1331563700 /nfs/dbraw/zinc/56/37/00/1331563700.db2.gz LUELWKRJMYZCEU-NWDGAFQWSA-N 1 2 343.387 2.339 20 5 EEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001308077511 1331563701 /nfs/dbraw/zinc/56/37/01/1331563701.db2.gz LUELWKRJMYZCEU-NWDGAFQWSA-N 1 2 343.387 2.339 20 5 EEBDLO Cc1cc(C[N@@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)no1 ZINC001339797103 1337074504 /nfs/dbraw/zinc/07/45/04/1337074504.db2.gz JCRDQVOAWRWLFR-UHFFFAOYSA-N 1 2 331.376 2.307 20 5 EEBDLO Cc1cc(C[N@H+]2CCCN(c3cc(C)c([N+](=O)[O-])cn3)CC2)no1 ZINC001339797103 1337074506 /nfs/dbraw/zinc/07/45/06/1337074506.db2.gz JCRDQVOAWRWLFR-UHFFFAOYSA-N 1 2 331.376 2.307 20 5 EEBDLO Cn1cc[nH+]c1CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F 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Cc1cccc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c1[N+](=O)[O-] ZINC000614976820 469112294 /nfs/dbraw/zinc/11/22/94/469112294.db2.gz JRDWNGYEQRJLEH-UHFFFAOYSA-N 1 2 346.431 2.259 20 5 EEBDLO O=c1[nH]cccc1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000599183115 469153368 /nfs/dbraw/zinc/15/33/68/469153368.db2.gz HDXXVPORVOBRAE-UHFFFAOYSA-N 1 2 344.371 2.140 20 5 EEBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000596246424 469220115 /nfs/dbraw/zinc/22/01/15/469220115.db2.gz FEHNSULYOJMQAB-OAHLLOKOSA-N 1 2 342.399 2.444 20 5 EEBDLO NC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602423719 469310620 /nfs/dbraw/zinc/31/06/20/469310620.db2.gz DIJGQIXHIIZZPF-SSDOTTSWSA-N 1 2 348.222 2.116 20 5 EEBDLO NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602423719 469310622 /nfs/dbraw/zinc/31/06/22/469310622.db2.gz DIJGQIXHIIZZPF-SSDOTTSWSA-N 1 2 348.222 2.116 20 5 EEBDLO COC(=O)[C@H]1C[N@H+](Cc2onc(C)c2[N+](=O)[O-])Cc2ccccc21 ZINC000599680394 469335422 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344.371 2.420 20 5 EEBDLO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777587320 577482566 /nfs/dbraw/zinc/48/25/66/577482566.db2.gz GXOQKXWOHUXZPR-LLVKDONJSA-N 1 2 349.778 2.259 20 5 EEBDLO C[C@H](C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000763396542 577720529 /nfs/dbraw/zinc/72/05/29/577720529.db2.gz ARMJEDOOZSIPSK-VBNZEHGJSA-N 1 2 334.372 2.105 20 5 EEBDLO C[C@H](C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc([N+](=O)[O-])c1 ZINC000763396542 577720530 /nfs/dbraw/zinc/72/05/30/577720530.db2.gz ARMJEDOOZSIPSK-VBNZEHGJSA-N 1 2 334.372 2.105 20 5 EEBDLO COC(=O)[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000755126789 577820185 /nfs/dbraw/zinc/82/01/85/577820185.db2.gz FMGUNOGNIZAULW-HOTGVXAUSA-N 1 2 336.388 2.340 20 5 EEBDLO O=[N+]([O-])c1cccc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)c1 ZINC000823648328 599501255 /nfs/dbraw/zinc/50/12/55/599501255.db2.gz UTHUHDBFHDQXFR-UHFFFAOYSA-N 1 2 347.338 2.357 20 5 EEBDLO COc1ccc(C[N@H+](CCCO)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000934502675 678425113 /nfs/dbraw/zinc/42/51/13/678425113.db2.gz WHSBHDUODCPIRN-UHFFFAOYSA-N 1 2 331.372 2.383 20 5 EEBDLO COc1ccc(C[N@@H+](CCCO)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000934502675 678425114 /nfs/dbraw/zinc/42/51/14/678425114.db2.gz WHSBHDUODCPIRN-UHFFFAOYSA-N 1 2 331.372 2.383 20 5 EEBDLO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000179558759 679941522 /nfs/dbraw/zinc/94/15/22/679941522.db2.gz VWTJAAYEAYMFQI-UHFFFAOYSA-N 1 2 330.363 2.447 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180776027 682077726 /nfs/dbraw/zinc/07/77/26/682077726.db2.gz VCNFDMNXRDRJEB-UHFFFAOYSA-N 1 2 341.327 2.142 20 5 EEBDLO CN(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001105432666 1187061902 /nfs/dbraw/zinc/06/19/02/1187061902.db2.gz ULNGDEBLLSKOMP-UHFFFAOYSA-N 1 2 345.403 2.190 20 5 EEBDLO CC[C@@H]1COCC[N@@H+]1CCNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000872771330 1198376993 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O=C(C1CCC1)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001072386495 1255119030 /nfs/dbraw/zinc/11/90/30/1255119030.db2.gz LKORPVCLYRMQDH-UHFFFAOYSA-N 1 2 335.429 2.491 20 5 EEBDLO O=C(C1CCC1)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001072386495 1255119032 /nfs/dbraw/zinc/11/90/32/1255119032.db2.gz LKORPVCLYRMQDH-UHFFFAOYSA-N 1 2 335.429 2.491 20 5 EEBDLO COC(=O)NC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000852768765 1292192859 /nfs/dbraw/zinc/19/28/59/1292192859.db2.gz GUCWHWOEDUTNAI-UHFFFAOYSA-N 1 2 334.332 2.056 20 5 EEBDLO C[C@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000857899650 1293946634 /nfs/dbraw/zinc/94/66/34/1293946634.db2.gz LCGUUOCJRDQHNL-QMMMGPOBSA-N 1 2 325.371 2.191 20 5 EEBDLO C[C@H]1CC[NH2+]CC[C@H]1Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001218024436 1297550989 /nfs/dbraw/zinc/55/09/89/1297550989.db2.gz OBNVXOOIONRKHY-IONNQARKSA-N 1 2 335.282 2.481 20 5 EEBDLO CCCCC(=O)N(C)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001102415294 1301007630 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XWLBFGXZPZZCQE-UHFFFAOYSA-N 1 2 349.368 2.194 20 5 EEBDLO CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCCO1 ZINC000590668384 468299899 /nfs/dbraw/zinc/29/98/99/468299899.db2.gz KMLXJTJVOGGYMK-UHFFFAOYSA-N 1 2 344.371 2.422 20 5 EEBDLO CCCCN(CC)C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000061018269 462572922 /nfs/dbraw/zinc/57/29/22/462572922.db2.gz MKFGTBWGDOTRPI-UHFFFAOYSA-N 1 2 348.447 2.365 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000088757794 462643259 /nfs/dbraw/zinc/64/32/59/462643259.db2.gz SXLUVXYPTFZQBQ-OAHLLOKOSA-N 1 2 346.431 2.036 20 5 EEBDLO COC(=O)c1ccoc1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047745019 462819844 /nfs/dbraw/zinc/81/98/44/462819844.db2.gz AVYSRVJIUNOJFC-UHFFFAOYSA-N 1 2 345.355 2.297 20 5 EEBDLO COc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066356528 462877959 /nfs/dbraw/zinc/87/79/59/462877959.db2.gz XSPOWEXZADMEIZ-UHFFFAOYSA-N 1 2 331.284 2.022 20 5 EEBDLO Cc1[nH+]c2ccccn2c1CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000132974540 462891554 /nfs/dbraw/zinc/89/15/54/462891554.db2.gz LPCCOZAAKVUKIR-UHFFFAOYSA-N 1 2 336.307 2.347 20 5 EEBDLO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccn1 ZINC000119864134 462935526 /nfs/dbraw/zinc/93/55/26/462935526.db2.gz LQZRNCIYBFEVDL-UHFFFAOYSA-N 1 2 340.383 2.401 20 5 EEBDLO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccn1 ZINC000119864134 462935533 /nfs/dbraw/zinc/93/55/33/462935533.db2.gz LQZRNCIYBFEVDL-UHFFFAOYSA-N 1 2 340.383 2.401 20 5 EEBDLO NC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000092735249 462976178 /nfs/dbraw/zinc/97/61/78/462976178.db2.gz OTZZXRSPUSJWFY-AWEZNQCLSA-N 1 2 347.396 2.009 20 5 EEBDLO NC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000092735249 462976183 /nfs/dbraw/zinc/97/61/83/462976183.db2.gz OTZZXRSPUSJWFY-AWEZNQCLSA-N 1 2 347.396 2.009 20 5 EEBDLO C[N@H+](CCN1CCCC1=O)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093320492 463026086 /nfs/dbraw/zinc/02/60/86/463026086.db2.gz YGPLMMXBHFXHNB-UHFFFAOYSA-N 1 2 343.330 2.250 20 5 EEBDLO C[N@@H+](CCN1CCCC1=O)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000093320492 463026092 /nfs/dbraw/zinc/02/60/92/463026092.db2.gz YGPLMMXBHFXHNB-UHFFFAOYSA-N 1 2 343.330 2.250 20 5 EEBDLO CN(Cc1ccncc1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000068030657 463083630 /nfs/dbraw/zinc/08/36/30/463083630.db2.gz VNMUSYJACACBJT-UHFFFAOYSA-N 1 2 337.339 2.448 20 5 EEBDLO Cc1ncc(C[N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000053145551 463136259 /nfs/dbraw/zinc/13/62/59/463136259.db2.gz WEZLKSLAMCRZCV-UHFFFAOYSA-N 1 2 334.401 2.455 20 5 EEBDLO Cc1ncc(C[N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000053145551 463136262 /nfs/dbraw/zinc/13/62/62/463136262.db2.gz WEZLKSLAMCRZCV-UHFFFAOYSA-N 1 2 334.401 2.455 20 5 EEBDLO Cc1cccc2[nH+]c(CNC(=O)COc3cccc([N+](=O)[O-])c3)cn21 ZINC000068571373 463156512 /nfs/dbraw/zinc/15/65/12/463156512.db2.gz NAANCBHNBVOUEL-UHFFFAOYSA-N 1 2 340.339 2.246 20 5 EEBDLO CCOC(=O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000121876160 463210772 /nfs/dbraw/zinc/21/07/72/463210772.db2.gz LWDVVYOENBPNLC-UHFFFAOYSA-N 1 2 349.387 2.259 20 5 EEBDLO CCOC(=O)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000121876160 463210778 /nfs/dbraw/zinc/21/07/78/463210778.db2.gz LWDVVYOENBPNLC-UHFFFAOYSA-N 1 2 349.387 2.259 20 5 EEBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCCCNc1cccc[nH+]1 ZINC000136165467 463225030 /nfs/dbraw/zinc/22/50/30/463225030.db2.gz RKRHJBDSUQVFOS-UHFFFAOYSA-N 1 2 329.360 2.020 20 5 EEBDLO C[N@@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000030028975 463286266 /nfs/dbraw/zinc/28/62/66/463286266.db2.gz HYLVQKQGJUDXAF-KRWDZBQOSA-N 1 2 340.383 2.306 20 5 EEBDLO C[N@H+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000030028975 463286273 /nfs/dbraw/zinc/28/62/73/463286273.db2.gz HYLVQKQGJUDXAF-KRWDZBQOSA-N 1 2 340.383 2.306 20 5 EEBDLO Cc1cccn2cc(CCNC(=O)c3c(N)cccc3[N+](=O)[O-])[nH+]c12 ZINC000097050648 463311849 /nfs/dbraw/zinc/31/18/49/463311849.db2.gz ZJGCHYGNUDEZNN-UHFFFAOYSA-N 1 2 339.355 2.106 20 5 EEBDLO O=C1[C@H]([N@@H+]2CCOC3(CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000139754451 463331752 /nfs/dbraw/zinc/33/17/52/463331752.db2.gz FJLBVXRMQROKKE-MRXNPFEDSA-N 1 2 345.399 2.345 20 5 EEBDLO O=C1[C@H]([N@H+]2CCOC3(CCCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000139754451 463331755 /nfs/dbraw/zinc/33/17/55/463331755.db2.gz FJLBVXRMQROKKE-MRXNPFEDSA-N 1 2 345.399 2.345 20 5 EEBDLO Cc1ccc(NCC[NH+]2CCN(C(=O)C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000080653992 463343124 /nfs/dbraw/zinc/34/31/24/463343124.db2.gz QOFQUQBHLYASQY-UHFFFAOYSA-N 1 2 346.431 2.259 20 5 EEBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177733533 463778225 /nfs/dbraw/zinc/77/82/25/463778225.db2.gz YYSQPJQXNXEKAE-FYCOFBDGSA-N 1 2 326.356 2.496 20 5 EEBDLO CCOc1cc(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000276984367 463830813 /nfs/dbraw/zinc/83/08/13/463830813.db2.gz YXHFDTFAYAEZAL-KGLIPLIRSA-N 1 2 333.388 2.237 20 5 EEBDLO CCOc1cc(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000276984367 463830819 /nfs/dbraw/zinc/83/08/19/463830819.db2.gz YXHFDTFAYAEZAL-KGLIPLIRSA-N 1 2 333.388 2.237 20 5 EEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279690750 464127970 /nfs/dbraw/zinc/12/79/70/464127970.db2.gz GCBPAANLMGJZQC-NOZJJQNGSA-N 1 2 341.795 2.278 20 5 EEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279690750 464127975 /nfs/dbraw/zinc/12/79/75/464127975.db2.gz GCBPAANLMGJZQC-NOZJJQNGSA-N 1 2 341.795 2.278 20 5 EEBDLO CN(C[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000173453066 464263597 /nfs/dbraw/zinc/26/35/97/464263597.db2.gz IVUATSPWGKKYOL-GFCCVEGCSA-N 1 2 339.396 2.080 20 5 EEBDLO CN(C[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000173453066 464263605 /nfs/dbraw/zinc/26/36/05/464263605.db2.gz IVUATSPWGKKYOL-GFCCVEGCSA-N 1 2 339.396 2.080 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000295197791 464741900 /nfs/dbraw/zinc/74/19/00/464741900.db2.gz YFVLFIUOHDOKBJ-CQSZACIVSA-N 1 2 337.376 2.266 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000295197791 464741903 /nfs/dbraw/zinc/74/19/03/464741903.db2.gz YFVLFIUOHDOKBJ-CQSZACIVSA-N 1 2 337.376 2.266 20 5 EEBDLO CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000295234354 464755587 /nfs/dbraw/zinc/75/55/87/464755587.db2.gz CVKXQEKDIBDHCJ-ZDUSSCGKSA-N 1 2 341.433 2.008 20 5 EEBDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000183637439 464890061 /nfs/dbraw/zinc/89/00/61/464890061.db2.gz MSVFTGCCKJQVMY-GFCCVEGCSA-N 1 2 344.375 2.210 20 5 EEBDLO Cc1c(C(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cccc1[N+](=O)[O-] ZINC000276354672 464901526 /nfs/dbraw/zinc/90/15/26/464901526.db2.gz RKKQLPVGBKRXPO-BLLLJJGKSA-N 1 2 344.371 2.287 20 5 EEBDLO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C)(O)CC1 ZINC000177303117 464981821 /nfs/dbraw/zinc/98/18/21/464981821.db2.gz NXZGFFVMSGGDIA-SNVBAGLBSA-N 1 2 341.795 2.422 20 5 EEBDLO CC(C)[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000295910878 465003815 /nfs/dbraw/zinc/00/38/15/465003815.db2.gz HLBGZDJPXFMTOR-ZDUSSCGKSA-N 1 2 338.389 2.135 20 5 EEBDLO Cc1c(NC(=O)[C@H](C)[N@H+](C)Cc2ccnn2C)cccc1[N+](=O)[O-] ZINC000348364016 465568740 /nfs/dbraw/zinc/56/87/40/465568740.db2.gz FEKHRNZUOVMEBW-LBPRGKRZSA-N 1 2 331.376 2.096 20 5 EEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+](C)Cc2ccnn2C)cccc1[N+](=O)[O-] ZINC000348364016 465568747 /nfs/dbraw/zinc/56/87/47/465568747.db2.gz FEKHRNZUOVMEBW-LBPRGKRZSA-N 1 2 331.376 2.096 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000371052023 465572470 /nfs/dbraw/zinc/57/24/70/465572470.db2.gz BANXNDLEDICQNY-CYBMUJFWSA-N 1 2 329.360 2.027 20 5 EEBDLO CC[C@@H](C(=O)OC)N1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000348553441 465680107 /nfs/dbraw/zinc/68/01/07/465680107.db2.gz WYVPQBJWCMUBSR-IOBAAEILSA-N 1 2 347.415 2.177 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000344597532 465707180 /nfs/dbraw/zinc/70/71/80/465707180.db2.gz NRPCOWYSKRHEKO-CQSZACIVSA-N 1 2 330.344 2.218 20 5 EEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000361213752 465842172 /nfs/dbraw/zinc/84/21/72/465842172.db2.gz ZYKVIXUJTVRIHI-GDBMZVCRSA-N 1 2 349.431 2.000 20 5 EEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000361213752 465842178 /nfs/dbraw/zinc/84/21/78/465842178.db2.gz ZYKVIXUJTVRIHI-GDBMZVCRSA-N 1 2 349.431 2.000 20 5 EEBDLO CC[C@H](C)[C@H](O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353531772 465958285 /nfs/dbraw/zinc/95/82/85/465958285.db2.gz PGDOTGGLZDBFRS-APHBMKBZSA-N 1 2 332.404 2.414 20 5 EEBDLO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346261274 466037338 /nfs/dbraw/zinc/03/73/38/466037338.db2.gz MNALXHQGHPOPNH-MKBNYLNASA-N 1 2 333.388 2.103 20 5 EEBDLO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000346261274 466037343 /nfs/dbraw/zinc/03/73/43/466037343.db2.gz MNALXHQGHPOPNH-MKBNYLNASA-N 1 2 333.388 2.103 20 5 EEBDLO CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)n1 ZINC000331501529 466112709 /nfs/dbraw/zinc/11/27/09/466112709.db2.gz BNEQSXLUEZGQJE-GFCCVEGCSA-N 1 2 346.391 2.395 20 5 EEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367085345 466120374 /nfs/dbraw/zinc/12/03/74/466120374.db2.gz PTRVDZFHMXKDAM-KRWDZBQOSA-N 1 2 340.383 2.096 20 5 EEBDLO Cc1c(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000367086056 466121088 /nfs/dbraw/zinc/12/10/88/466121088.db2.gz SCTIYRPNWXKNHW-HNNXBMFYSA-N 1 2 326.356 2.085 20 5 EEBDLO Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000367087331 466122818 /nfs/dbraw/zinc/12/28/18/466122818.db2.gz XHEQDRQTCDDRLH-HNNXBMFYSA-N 1 2 326.356 2.085 20 5 EEBDLO Cc1noc([C@H](C)[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000361599106 466132937 /nfs/dbraw/zinc/13/29/37/466132937.db2.gz BPINEJNUJZALJK-UWVGGRQHSA-N 1 2 333.348 2.354 20 5 EEBDLO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CO ZINC000305436543 466407789 /nfs/dbraw/zinc/40/77/89/466407789.db2.gz ITEWECZCULYTEV-QMTHXVAHSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1CO ZINC000305436543 466407793 /nfs/dbraw/zinc/40/77/93/466407793.db2.gz ITEWECZCULYTEV-QMTHXVAHSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000373376349 466783833 /nfs/dbraw/zinc/78/38/33/466783833.db2.gz IEZMDNWEVGRPAP-CYBMUJFWSA-N 1 2 333.388 2.424 20 5 EEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOCC2(CCC2)C1 ZINC000373376349 466783834 /nfs/dbraw/zinc/78/38/34/466783834.db2.gz IEZMDNWEVGRPAP-CYBMUJFWSA-N 1 2 333.388 2.424 20 5 EEBDLO CC(C)(C)c1noc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000365818540 466949270 /nfs/dbraw/zinc/94/92/70/466949270.db2.gz FLFHHZHOCYOKNA-UHFFFAOYSA-N 1 2 334.380 2.309 20 5 EEBDLO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000492691031 467715664 /nfs/dbraw/zinc/71/56/64/467715664.db2.gz RLWDVMZJTOFSQQ-CXLRFSCWSA-N 1 2 330.319 2.075 20 5 EEBDLO COc1cc(C(=O)Nc2cc(C)[nH+]cc2C)cc([N+](=O)[O-])c1OC ZINC000534300380 468247626 /nfs/dbraw/zinc/24/76/26/468247626.db2.gz XNQCSTFFQQXSEP-UHFFFAOYSA-N 1 2 331.328 2.298 20 5 EEBDLO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000598508314 468892783 /nfs/dbraw/zinc/89/27/83/468892783.db2.gz GGEDRTOVJQHDQY-HNNXBMFYSA-N 1 2 341.367 2.305 20 5 EEBDLO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000598508314 468892785 /nfs/dbraw/zinc/89/27/85/468892785.db2.gz GGEDRTOVJQHDQY-HNNXBMFYSA-N 1 2 341.367 2.305 20 5 EEBDLO CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000593286571 468929328 /nfs/dbraw/zinc/92/93/28/468929328.db2.gz ZHWJVUQHGWFYSZ-GXTWGEPZSA-N 1 2 344.371 2.420 20 5 EEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598948017 469062121 /nfs/dbraw/zinc/06/21/21/469062121.db2.gz OGNXCBQMIVIOFM-HUUCEWRRSA-N 1 2 342.399 2.491 20 5 EEBDLO COc1ccc2c(c1)OCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000602827320 469101828 /nfs/dbraw/zinc/10/18/28/469101828.db2.gz YKZDFSDERUIKAN-UHFFFAOYSA-N 1 2 332.360 2.003 20 5 EEBDLO COc1ccc2c(c1)OCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C2 ZINC000602827320 469101833 /nfs/dbraw/zinc/10/18/33/469101833.db2.gz YKZDFSDERUIKAN-UHFFFAOYSA-N 1 2 332.360 2.003 20 5 EEBDLO Cc1c[nH]c(C(C)(C)NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[nH+]1 ZINC000593734081 469116406 /nfs/dbraw/zinc/11/64/06/469116406.db2.gz OCKAPCPIZRAHEN-UHFFFAOYSA-N 1 2 332.316 2.020 20 5 EEBDLO CN(C(=O)C[N@@H+]1CC(C)(C)OCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000609671947 469953810 /nfs/dbraw/zinc/95/38/10/469953810.db2.gz REDKNJZLEHAARZ-UHFFFAOYSA-N 1 2 335.404 2.447 20 5 EEBDLO CN(C(=O)C[N@H+]1CC(C)(C)OCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000609671947 469953813 /nfs/dbraw/zinc/95/38/13/469953813.db2.gz REDKNJZLEHAARZ-UHFFFAOYSA-N 1 2 335.404 2.447 20 5 EEBDLO Cc1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000153861711 533963894 /nfs/dbraw/zinc/96/38/94/533963894.db2.gz GUYHSGQSQMFGPL-HNNXBMFYSA-N 1 2 348.403 2.232 20 5 EEBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[NH+](Cc2ccncc2)CC1 ZINC000131823007 534709851 /nfs/dbraw/zinc/70/98/51/534709851.db2.gz PKKLUDASFKKVTD-UHFFFAOYSA-N 1 2 344.346 2.087 20 5 EEBDLO Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc4[nH+]ccn4c3)n2)n1C ZINC000771464485 577213935 /nfs/dbraw/zinc/21/39/35/577213935.db2.gz PFOMDFHQXMVNGB-UHFFFAOYSA-N 1 2 325.288 2.001 20 5 EEBDLO Cc1cccc(CCCOCCOC(=O)c2ccc([N+](=O)[O-])[nH]2)[nH+]1 ZINC000733705262 577254378 /nfs/dbraw/zinc/25/43/78/577254378.db2.gz YXUXVFFDAOXYJW-UHFFFAOYSA-N 1 2 333.344 2.433 20 5 EEBDLO C[C@H](N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000776277508 577456533 /nfs/dbraw/zinc/45/65/33/577456533.db2.gz MVMPQKHEMYDJIC-SMDDNHRTSA-N 1 2 347.337 2.197 20 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ZINC000763212145 577716867 /nfs/dbraw/zinc/71/68/67/577716867.db2.gz NIAFFUZZSRFKBK-GFCCVEGCSA-N 1 2 331.376 2.310 20 5 EEBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000763333402 577719382 /nfs/dbraw/zinc/71/93/82/577719382.db2.gz SLIZICXFPWXAPU-ZDUSSCGKSA-N 1 2 330.344 2.101 20 5 EEBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000763333402 577719383 /nfs/dbraw/zinc/71/93/83/577719383.db2.gz SLIZICXFPWXAPU-ZDUSSCGKSA-N 1 2 330.344 2.101 20 5 EEBDLO Cc1ccc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c(N(C)C)[nH+]1 ZINC000750529354 577994290 /nfs/dbraw/zinc/99/42/90/577994290.db2.gz RXNWTPWYSYLGKA-UHFFFAOYSA-N 1 2 332.364 2.463 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000892583464 681859201 /nfs/dbraw/zinc/85/92/01/681859201.db2.gz QYZZEPWTOYYAMB-MCIONIFRSA-N 1 2 349.431 2.439 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000892583464 681859205 /nfs/dbraw/zinc/85/92/05/681859205.db2.gz QYZZEPWTOYYAMB-MCIONIFRSA-N 1 2 349.431 2.439 20 5 EEBDLO C[C@@H]1CSCC[N@@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000179243171 691073674 /nfs/dbraw/zinc/07/36/74/691073674.db2.gz NYBVCPVKGNZRLV-GFCCVEGCSA-N 1 2 336.417 2.232 20 5 EEBDLO C[C@@H]1CSCC[N@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000179243171 691073677 /nfs/dbraw/zinc/07/36/77/691073677.db2.gz NYBVCPVKGNZRLV-GFCCVEGCSA-N 1 2 336.417 2.232 20 5 EEBDLO CCC(=O)c1ccc(N2CC[NH+](CCCCO)CC2)c([N+](=O)[O-])c1 ZINC000795102504 1200546092 /nfs/dbraw/zinc/54/60/92/1200546092.db2.gz YIGPVQYNIAEHPL-UHFFFAOYSA-N 1 2 335.404 2.082 20 5 EEBDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556504 1201927663 /nfs/dbraw/zinc/92/76/63/1201927663.db2.gz NLRDAGMSTFLGLV-UONOGXRCSA-N 1 2 334.420 2.020 20 5 EEBDLO CCO[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000885350060 1202407576 /nfs/dbraw/zinc/40/75/76/1202407576.db2.gz VMDJRXLOSKUSQK-ZDUSSCGKSA-N 1 2 330.344 2.032 20 5 EEBDLO O=C(NCCc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1Br ZINC000139443735 1204169425 /nfs/dbraw/zinc/16/94/25/1204169425.db2.gz AMILQZUOYKXGMH-UHFFFAOYSA-N 1 2 339.149 2.053 20 5 EEBDLO O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC001114761710 1215238503 /nfs/dbraw/zinc/23/85/03/1215238503.db2.gz LHVBEAIPANJUQC-MQMHXKEQSA-N 1 2 343.387 2.257 20 5 EEBDLO CC(C)CCC(=O)NCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096263468 1236841204 /nfs/dbraw/zinc/84/12/04/1236841204.db2.gz AXNBKHDHAUEIHU-UHFFFAOYSA-N 1 2 348.447 2.269 20 5 EEBDLO Cc1ccc(NC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c([N+](=O)[O-])c1 ZINC001057433508 1243760177 /nfs/dbraw/zinc/76/01/77/1243760177.db2.gz KWOYBYPDMCYICV-UHFFFAOYSA-N 1 2 343.387 2.272 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001097261942 1243888813 /nfs/dbraw/zinc/88/88/13/1243888813.db2.gz APILBAJOCXSIQY-OKILXGFUSA-N 1 2 343.387 2.318 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001097261942 1243888817 /nfs/dbraw/zinc/88/88/17/1243888817.db2.gz APILBAJOCXSIQY-OKILXGFUSA-N 1 2 343.387 2.318 20 5 EEBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000856792255 1293633805 /nfs/dbraw/zinc/63/38/05/1293633805.db2.gz MCTMFXPJKXOGPE-GHMZBOCLSA-N 1 2 341.795 2.137 20 5 EEBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000856792255 1293633812 /nfs/dbraw/zinc/63/38/12/1293633812.db2.gz MCTMFXPJKXOGPE-GHMZBOCLSA-N 1 2 341.795 2.137 20 5 EEBDLO COc1ccc(S(=O)(=O)N2c3cc[nH+]cc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000857901152 1293947986 /nfs/dbraw/zinc/94/79/86/1293947986.db2.gz IXUHDQQNKBWOCQ-JTQLQIEISA-N 1 2 349.368 2.138 20 5 EEBDLO C[NH2+][C@H]1C[C@H](Oc2[nH]c(=O)nc3nc4cc(C)c(C)cc4nc32)C1 ZINC001217953878 1297535520 /nfs/dbraw/zinc/53/55/20/1297535520.db2.gz MBHPFENRNIITCU-XYPYZODXSA-N 1 2 325.372 2.025 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@H]4C[NH2+][C@H](C)C4)c3nc2cc1C ZINC001218039448 1297555342 /nfs/dbraw/zinc/55/53/42/1297555342.db2.gz MNYCXRODJPTSPZ-GHMZBOCLSA-N 1 2 325.372 2.025 20 5 EEBDLO CN(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)C(C)(C)C ZINC001102418778 1301011376 /nfs/dbraw/zinc/01/13/76/1301011376.db2.gz XFBOQVJLCHDBEF-UHFFFAOYSA-N 1 2 348.447 2.221 20 5 EEBDLO Cc1nn(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)cc1[N+](=O)[O-] ZINC000840119743 1315300553 /nfs/dbraw/zinc/30/05/53/1315300553.db2.gz ULTNVQSBDCZUTM-UHFFFAOYSA-N 1 2 345.407 2.409 20 5 EEBDLO Cc1nn(C[N@@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)cc1[N+](=O)[O-] ZINC000840119743 1315300556 /nfs/dbraw/zinc/30/05/56/1315300556.db2.gz ULTNVQSBDCZUTM-UHFFFAOYSA-N 1 2 345.407 2.409 20 5 EEBDLO Cc1ncc([N+](=O)[O-])c(N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)n1 ZINC001155092826 1317453555 /nfs/dbraw/zinc/45/35/55/1317453555.db2.gz VHHRHFCJHTXIKC-MRXNPFEDSA-N 1 2 325.372 2.113 20 5 EEBDLO Cc1ncc([N+](=O)[O-])c(N2CC[N@H+]3CCc4ccccc4[C@H]3C2)n1 ZINC001155092826 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O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130033538 462736172 /nfs/dbraw/zinc/73/61/72/462736172.db2.gz GCVSCVQLPOKLJR-UHFFFAOYSA-N 1 2 341.367 2.258 20 5 EEBDLO O=C(CNc1ccccc1[N+](=O)[O-])NCCc1cn2ccccc2[nH+]1 ZINC000065859210 462834422 /nfs/dbraw/zinc/83/44/22/462834422.db2.gz USXPMLSHYSGXQQ-UHFFFAOYSA-N 1 2 339.355 2.013 20 5 EEBDLO CCc1nn(C)c(NCc2ccc(N3CCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000092828223 462982802 /nfs/dbraw/zinc/98/28/02/462982802.db2.gz VUCCEQHRODVNMW-UHFFFAOYSA-N 1 2 330.392 2.498 20 5 EEBDLO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000093613141 463042574 /nfs/dbraw/zinc/04/25/74/463042574.db2.gz RMNHIIJJKDRGIV-JKSUJKDBSA-N 1 2 336.388 2.052 20 5 EEBDLO C[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Cn1cc[nH+]c1 ZINC000135447857 463157555 /nfs/dbraw/zinc/15/75/55/463157555.db2.gz CMYMUDZAYCUCTB-LBPRGKRZSA-N 1 2 341.371 2.268 20 5 EEBDLO COC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000053897244 463195734 /nfs/dbraw/zinc/19/57/34/463195734.db2.gz QZWOAMKOSHYXLR-UHFFFAOYSA-N 1 2 327.768 2.298 20 5 EEBDLO C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000123029186 463311892 /nfs/dbraw/zinc/31/18/92/463311892.db2.gz AUVOILWTDDEKAQ-XJKSGUPXSA-N 1 2 328.372 2.444 20 5 EEBDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000161208997 463409908 /nfs/dbraw/zinc/40/99/08/463409908.db2.gz DAICOKZJOGMOOK-LLVKDONJSA-N 1 2 330.319 2.138 20 5 EEBDLO C[C@]1(O)CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000125056782 463496761 /nfs/dbraw/zinc/49/67/61/463496761.db2.gz KNESQDCFQYEZET-AWEZNQCLSA-N 1 2 327.768 2.034 20 5 EEBDLO C[C@]1(O)CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000125056782 463496762 /nfs/dbraw/zinc/49/67/62/463496762.db2.gz KNESQDCFQYEZET-AWEZNQCLSA-N 1 2 327.768 2.034 20 5 EEBDLO Cc1c(Br)c(NCCn2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000165736392 463646202 /nfs/dbraw/zinc/64/62/02/463646202.db2.gz ASSGKGPNIMBMOG-UHFFFAOYSA-N 1 2 326.154 2.369 20 5 EEBDLO COc1cccc(N2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000185110164 463753186 /nfs/dbraw/zinc/75/31/86/463753186.db2.gz FDWLBDSCAYVWBD-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCO1 ZINC000171277903 463834735 /nfs/dbraw/zinc/83/47/35/463834735.db2.gz QIBIBFCPNOWANX-GFCCVEGCSA-N 1 2 330.344 2.032 20 5 EEBDLO COc1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC000178072213 463839286 /nfs/dbraw/zinc/83/92/86/463839286.db2.gz YYDONZWLBIKMGN-UHFFFAOYSA-N 1 2 326.312 2.181 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000185885652 463898995 /nfs/dbraw/zinc/89/89/95/463898995.db2.gz BTODXVNFIKAHQJ-UHFFFAOYSA-N 1 2 326.356 2.261 20 5 EEBDLO COc1cccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000194758982 463925264 /nfs/dbraw/zinc/92/52/64/463925264.db2.gz HXKGYAHOYZTLAL-LBPRGKRZSA-N 1 2 342.355 2.007 20 5 EEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000283956606 464053832 /nfs/dbraw/zinc/05/38/32/464053832.db2.gz DUHIBXJBIGCPHD-CMPLNLGQSA-N 1 2 349.265 2.391 20 5 EEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000283956606 464053837 /nfs/dbraw/zinc/05/38/37/464053837.db2.gz DUHIBXJBIGCPHD-CMPLNLGQSA-N 1 2 349.265 2.391 20 5 EEBDLO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)CC1 ZINC000270238664 464230125 /nfs/dbraw/zinc/23/01/25/464230125.db2.gz NOHMQDAHYBJTDK-AWEZNQCLSA-N 1 2 333.388 2.104 20 5 EEBDLO Cn1c[nH+]cc1CCC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000281062591 464316585 /nfs/dbraw/zinc/31/65/85/464316585.db2.gz CMOQYTPDPVKYFD-UHFFFAOYSA-N 1 2 336.779 2.273 20 5 EEBDLO CCCc1n[nH]c(C(=O)NCc2cn3ccc(C)cc3[nH+]2)c1[N+](=O)[O-] ZINC000264658894 464411974 /nfs/dbraw/zinc/41/19/74/464411974.db2.gz HPOGVALYNGJBEB-UHFFFAOYSA-N 1 2 342.359 2.157 20 5 EEBDLO Cc1ccnc(N2CC[NH+](Cc3cccc(O)c3)CC2)c1[N+](=O)[O-] ZINC000265285434 464514433 /nfs/dbraw/zinc/51/44/33/464514433.db2.gz XEDSYWWXIYGFEZ-UHFFFAOYSA-N 1 2 328.372 2.326 20 5 EEBDLO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285769222 464689696 /nfs/dbraw/zinc/68/96/96/464689696.db2.gz DJMRDGZIUHNUGZ-YPMHNXCESA-N 1 2 341.358 2.168 20 5 EEBDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285769222 464689699 /nfs/dbraw/zinc/68/96/99/464689699.db2.gz DJMRDGZIUHNUGZ-YPMHNXCESA-N 1 2 341.358 2.168 20 5 EEBDLO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285769222 464689705 /nfs/dbraw/zinc/68/97/05/464689705.db2.gz DJMRDGZIUHNUGZ-YPMHNXCESA-N 1 2 341.358 2.168 20 5 EEBDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000295327882 464790185 /nfs/dbraw/zinc/79/01/85/464790185.db2.gz OTEDMQMPLPUJOW-VIFPVBQESA-N 1 2 336.783 2.251 20 5 EEBDLO C[C@@H](c1nc(N)nc(Cl)n1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000295327882 464790191 /nfs/dbraw/zinc/79/01/91/464790191.db2.gz OTEDMQMPLPUJOW-VIFPVBQESA-N 1 2 336.783 2.251 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295821152 464976314 /nfs/dbraw/zinc/97/63/14/464976314.db2.gz GKYKJBMDFJCKOH-CABCVRRESA-N 1 2 330.388 2.445 20 5 EEBDLO Cn1ccnc1[C@@H]1[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295821152 464976318 /nfs/dbraw/zinc/97/63/18/464976318.db2.gz GKYKJBMDFJCKOH-CABCVRRESA-N 1 2 330.388 2.445 20 5 EEBDLO Cn1ccnc1[C@@H]1[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295821152 464976323 /nfs/dbraw/zinc/97/63/23/464976323.db2.gz GKYKJBMDFJCKOH-CABCVRRESA-N 1 2 330.388 2.445 20 5 EEBDLO Cc1nn(CCC(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000276638353 465010902 /nfs/dbraw/zinc/01/09/02/465010902.db2.gz QMICQTHYZCIXQN-ZDUSSCGKSA-N 1 2 334.380 2.035 20 5 EEBDLO COC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184681734 465017660 /nfs/dbraw/zinc/01/76/60/465017660.db2.gz AITOFIYXHBIJCN-CYBMUJFWSA-N 1 2 333.344 2.412 20 5 EEBDLO COc1cc(C)[nH+]c(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000339816152 465527364 /nfs/dbraw/zinc/52/73/64/465527364.db2.gz FAWKRNUJXBCNGL-CYBMUJFWSA-N 1 2 343.387 2.388 20 5 EEBDLO C[C@@H](NC(=O)NCCNc1cccc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000298927640 465544132 /nfs/dbraw/zinc/54/41/32/465544132.db2.gz AWVLHUGOHKBTSS-GFCCVEGCSA-N 1 2 329.360 2.462 20 5 EEBDLO COc1cc[nH+]cc1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000348318039 465548041 /nfs/dbraw/zinc/54/80/41/465548041.db2.gz JTJGLBNJAVUPFP-UHFFFAOYSA-N 1 2 333.369 2.407 20 5 EEBDLO CCN(C[C@@H]1CCCO1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000299321777 465696175 /nfs/dbraw/zinc/69/61/75/465696175.db2.gz VHOJEODAQOQMPE-AWEZNQCLSA-N 1 2 344.371 2.422 20 5 EEBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nnnn2CC2CC2)cc1[N+](=O)[O-] ZINC000349341584 466072588 /nfs/dbraw/zinc/07/25/88/466072588.db2.gz KURLRJPFXADFNR-LLVKDONJSA-N 1 2 346.391 2.241 20 5 EEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000338728865 466341430 /nfs/dbraw/zinc/34/14/30/466341430.db2.gz QNLIQMRZVOSASY-KBPBESRZSA-N 1 2 343.387 2.455 20 5 EEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000338728865 466341435 /nfs/dbraw/zinc/34/14/35/466341435.db2.gz QNLIQMRZVOSASY-KBPBESRZSA-N 1 2 343.387 2.455 20 5 EEBDLO COCCCn1nccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000338948487 466514865 /nfs/dbraw/zinc/51/48/65/466514865.db2.gz NGCNYYFDZGRZAS-UHFFFAOYSA-N 1 2 330.388 2.386 20 5 EEBDLO COCCCn1nccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000338948487 466514873 /nfs/dbraw/zinc/51/48/73/466514873.db2.gz NGCNYYFDZGRZAS-UHFFFAOYSA-N 1 2 330.388 2.386 20 5 EEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000374499364 466653997 /nfs/dbraw/zinc/65/39/97/466653997.db2.gz AKOIFACWVGSIKT-AWEZNQCLSA-N 1 2 329.360 2.484 20 5 EEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000364283644 466691947 /nfs/dbraw/zinc/69/19/47/466691947.db2.gz PZFBVXAHLOITDY-ZDUSSCGKSA-N 1 2 326.356 2.251 20 5 EEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000451935728 467288386 /nfs/dbraw/zinc/28/83/86/467288386.db2.gz RZVTWMXVUXRJTF-CYBMUJFWSA-N 1 2 341.433 2.008 20 5 EEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000451935728 467288389 /nfs/dbraw/zinc/28/83/89/467288389.db2.gz RZVTWMXVUXRJTF-CYBMUJFWSA-N 1 2 341.433 2.008 20 5 EEBDLO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000378519408 467328992 /nfs/dbraw/zinc/32/89/92/467328992.db2.gz LGEHPGLPCDYBAJ-ZDUSSCGKSA-N 1 2 334.307 2.200 20 5 EEBDLO CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450021292 467762962 /nfs/dbraw/zinc/76/29/62/467762962.db2.gz ZCDFQLKBXMYDBG-GXTWGEPZSA-N 1 2 344.371 2.420 20 5 EEBDLO CC1(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCO1 ZINC000450225176 467802508 /nfs/dbraw/zinc/80/25/08/467802508.db2.gz XWADJJAAWWASHY-CYBMUJFWSA-N 1 2 344.371 2.468 20 5 EEBDLO CC[N@H+](CC(=O)N(C)C)Cc1ccc(Br)cc1[N+](=O)[O-] 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ZINC000355171500 163101214 /nfs/dbraw/zinc/10/12/14/163101214.db2.gz ZRLKTDMZHWLHKH-LRDDRELGSA-N 1 2 332.356 2.436 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368976032 166163976 /nfs/dbraw/zinc/16/39/76/166163976.db2.gz SVMBCNABGQHDLF-PJODQICGSA-N 1 2 333.388 2.079 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368976032 166163977 /nfs/dbraw/zinc/16/39/77/166163977.db2.gz SVMBCNABGQHDLF-PJODQICGSA-N 1 2 333.388 2.079 20 5 EEBDLO Cc1cc(NC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)c[nH+]1 ZINC000369614867 166296677 /nfs/dbraw/zinc/29/66/77/166296677.db2.gz HTFXNYOHFYEBDI-UHFFFAOYSA-N 1 2 344.375 2.094 20 5 EEBDLO C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000122869881 222174416 /nfs/dbraw/zinc/17/44/16/222174416.db2.gz STZSJKIKCHMAIX-BBRMVZONSA-N 1 2 328.372 2.444 20 5 EEBDLO C[C@H]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000123993635 222361671 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COC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184768583 465025114 /nfs/dbraw/zinc/02/51/14/465025114.db2.gz XEULPESEMDINJR-HNNXBMFYSA-N 1 2 347.371 2.436 20 5 EEBDLO O=[N+]([O-])c1cccc(OCCN2CC[NH+](Cc3ccco3)CC2)c1 ZINC000046054782 462642584 /nfs/dbraw/zinc/64/25/84/462642584.db2.gz ZDALYRXWUDHHQP-UHFFFAOYSA-N 1 2 331.372 2.384 20 5 EEBDLO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(Cc3ccco3)CC2)c1 ZINC000046054782 462642589 /nfs/dbraw/zinc/64/25/89/462642589.db2.gz ZDALYRXWUDHHQP-UHFFFAOYSA-N 1 2 331.372 2.384 20 5 EEBDLO CCOC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000021822739 463041284 /nfs/dbraw/zinc/04/12/84/463041284.db2.gz KPPMIICOLPRWAD-GFCCVEGCSA-N 1 2 349.387 2.197 20 5 EEBDLO C[N@@H+]1CCc2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000024152447 463080074 /nfs/dbraw/zinc/08/00/74/463080074.db2.gz VROISIABHRFCPT-UHFFFAOYSA-N 1 2 332.385 2.220 20 5 EEBDLO C[N@H+]1CCc2nc(NC(=O)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000024152447 463080079 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EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171068184 463775060 /nfs/dbraw/zinc/77/50/60/463775060.db2.gz CICDHKKIZPJTGQ-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCO1 ZINC000171277907 463834305 /nfs/dbraw/zinc/83/43/05/463834305.db2.gz QIBIBFCPNOWANX-LBPRGKRZSA-N 1 2 330.344 2.032 20 5 EEBDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000178289349 463874184 /nfs/dbraw/zinc/87/41/84/463874184.db2.gz XJDGVTFLINOHHL-NSHDSACASA-N 1 2 334.401 2.485 20 5 EEBDLO Cc1cc(NC[C@]2(O)CCO[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000279180135 464055060 /nfs/dbraw/zinc/05/50/60/464055060.db2.gz VLJKKPDMEYERQX-YVEFUNNKSA-N 1 2 344.371 2.312 20 5 EEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279660366 464123747 /nfs/dbraw/zinc/12/37/47/464123747.db2.gz IKPFDWTUFBOTJH-LLVKDONJSA-N 1 2 341.795 2.041 20 5 EEBDLO CC[C@@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)OC ZINC000265464568 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EEBDLO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000276162291 464830170 /nfs/dbraw/zinc/83/01/70/464830170.db2.gz GDBLSKXQRCFKKW-LRDDRELGSA-N 1 2 344.371 2.287 20 5 EEBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)CS(=O)(=O)CC ZINC000276293638 464879569 /nfs/dbraw/zinc/87/95/69/464879569.db2.gz IMIDMFVDZXISTO-NSHDSACASA-N 1 2 332.397 2.379 20 5 EEBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H](C)CS(=O)(=O)CC ZINC000276293638 464879576 /nfs/dbraw/zinc/87/95/76/464879576.db2.gz IMIDMFVDZXISTO-NSHDSACASA-N 1 2 332.397 2.379 20 5 EEBDLO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1nccs1 ZINC000184396903 464972394 /nfs/dbraw/zinc/97/23/94/464972394.db2.gz KZCKDLMBRWQJHQ-JTQLQIEISA-N 1 2 332.385 2.291 20 5 EEBDLO COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000184548941 464994948 /nfs/dbraw/zinc/99/49/48/464994948.db2.gz ZJKMPNAAGUHTMB-FZMZJTMJSA-N 1 2 333.344 2.492 20 5 EEBDLO CCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O 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20 5 EEBDLO COc1c(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)cccc1[N+](=O)[O-] ZINC000346395268 161368967 /nfs/dbraw/zinc/36/89/67/161368967.db2.gz VMONYONTIPRHMI-ZDUSSCGKSA-N 1 2 346.343 2.189 20 5 EEBDLO COc1c(-c2nc([C@@H]3C[N@H+](C4CC4)CCO3)no2)cccc1[N+](=O)[O-] ZINC000346395268 161368968 /nfs/dbraw/zinc/36/89/68/161368968.db2.gz VMONYONTIPRHMI-ZDUSSCGKSA-N 1 2 346.343 2.189 20 5 EEBDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000353020714 162395040 /nfs/dbraw/zinc/39/50/40/162395040.db2.gz CQTPWDSMKAHSRN-DTWKUNHWSA-N 1 2 335.389 2.433 20 5 EEBDLO CCOc1ccccc1N1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355549124 163227585 /nfs/dbraw/zinc/22/75/85/163227585.db2.gz CJAMTBHJLXYMDB-UHFFFAOYSA-N 1 2 345.403 2.049 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000361857115 164514558 /nfs/dbraw/zinc/51/45/58/164514558.db2.gz YCQPJXVUWCFOOK-CYBMUJFWSA-N 1 2 336.392 2.054 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000361857115 164514561 /nfs/dbraw/zinc/51/45/61/164514561.db2.gz YCQPJXVUWCFOOK-CYBMUJFWSA-N 1 2 336.392 2.054 20 5 EEBDLO Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc([N+](=O)[O-])c1 ZINC000364007383 165002903 /nfs/dbraw/zinc/00/29/03/165002903.db2.gz DZLYDJOQVKQZQI-UHFFFAOYSA-N 1 2 337.339 2.414 20 5 EEBDLO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364958561 165332217 /nfs/dbraw/zinc/33/22/17/165332217.db2.gz ZWCWGWAQCPSCFY-OAHLLOKOSA-N 1 2 342.399 2.493 20 5 EEBDLO CC[C@H](C(=O)OC)N1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000352722294 287525084 /nfs/dbraw/zinc/52/50/84/287525084.db2.gz AONSEWRCLYVVLS-UKRRQHHQSA-N 1 2 335.404 2.225 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279677493 269300113 /nfs/dbraw/zinc/30/01/13/269300113.db2.gz DYRHEMCROBNYSK-ZDUSSCGKSA-N 1 2 336.388 2.373 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000279677493 269300114 /nfs/dbraw/zinc/30/01/14/269300114.db2.gz DYRHEMCROBNYSK-ZDUSSCGKSA-N 1 2 336.388 2.373 20 5 EEBDLO C[C@H](Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000272095117 274166070 /nfs/dbraw/zinc/16/60/70/274166070.db2.gz YDXYRSLEBHJFJR-AWEZNQCLSA-N 1 2 345.403 2.297 20 5 EEBDLO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272598749 274176619 /nfs/dbraw/zinc/17/66/19/274176619.db2.gz GVLFWOUYLDPPKB-PWSUYJOCSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@@H]1CCC[C@@H](CO)[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272598749 274176622 /nfs/dbraw/zinc/17/66/22/274176622.db2.gz GVLFWOUYLDPPKB-PWSUYJOCSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@H]1CCC[C@H](CO)[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272598745 274176753 /nfs/dbraw/zinc/17/67/53/274176753.db2.gz GVLFWOUYLDPPKB-CMPLNLGQSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@H]1CCC[C@H](CO)[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272598745 274176756 /nfs/dbraw/zinc/17/67/56/274176756.db2.gz GVLFWOUYLDPPKB-CMPLNLGQSA-N 1 2 341.795 2.422 20 5 EEBDLO Cn1ncc(Br)c1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000278459574 274358602 /nfs/dbraw/zinc/35/86/02/274358602.db2.gz XOFQZOBVTPIASH-UHFFFAOYSA-N 1 2 325.166 2.381 20 5 EEBDLO Cc1cc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286989884 274924944 /nfs/dbraw/zinc/92/49/44/274924944.db2.gz DTMCWOYKMBTIBT-HIFRSBDPSA-N 1 2 348.403 2.230 20 5 EEBDLO CC(C)c1nnc([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)[nH]1 ZINC000289887045 275158505 /nfs/dbraw/zinc/15/85/05/275158505.db2.gz SCOXPXGZIGRKIZ-ZDUSSCGKSA-N 1 2 333.396 2.260 20 5 EEBDLO CC(C)c1nnc([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)[nH]1 ZINC000289887045 275158506 /nfs/dbraw/zinc/15/85/06/275158506.db2.gz SCOXPXGZIGRKIZ-ZDUSSCGKSA-N 1 2 333.396 2.260 20 5 EEBDLO CO[C@@H](C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000293593650 293246566 /nfs/dbraw/zinc/24/65/66/293246566.db2.gz CXDOUUKYJSTZKX-HOTGVXAUSA-N 1 2 330.388 2.432 20 5 EEBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCNC1=O ZINC000294216132 293398554 /nfs/dbraw/zinc/39/85/54/293398554.db2.gz SCNGJORQUDXQSO-LBPRGKRZSA-N 1 2 331.294 2.324 20 5 EEBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCNC1=O ZINC000294216132 293398556 /nfs/dbraw/zinc/39/85/56/293398556.db2.gz SCNGJORQUDXQSO-LBPRGKRZSA-N 1 2 331.294 2.324 20 5 EEBDLO CC(C)(C[NH+]1CCOCC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000308664923 311582969 /nfs/dbraw/zinc/58/29/69/311582969.db2.gz QYUKHRBPEZANFU-UHFFFAOYSA-N 1 2 348.403 2.002 20 5 EEBDLO CCN(CC)C(=O)N1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000330575570 311765219 /nfs/dbraw/zinc/76/52/19/311765219.db2.gz MCTLJCCKUMAQBQ-UHFFFAOYSA-N 1 2 334.420 2.483 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000350899102 312351149 /nfs/dbraw/zinc/35/11/49/312351149.db2.gz JGUZQUMZJVIOBB-UHFFFAOYSA-N 1 2 337.299 2.231 20 5 EEBDLO Cc1nc([N+](=O)[O-])c(-c2noc(C[N@H+](C)Cc3ccccc3)n2)n1C ZINC000350924155 312352723 /nfs/dbraw/zinc/35/27/23/312352723.db2.gz JFMDSHMXYPQPNX-UHFFFAOYSA-N 1 2 342.359 2.319 20 5 EEBDLO Cc1nc([N+](=O)[O-])c(-c2noc(C[N@@H+](C)Cc3ccccc3)n2)n1C ZINC000350924155 312352724 /nfs/dbraw/zinc/35/27/24/312352724.db2.gz JFMDSHMXYPQPNX-UHFFFAOYSA-N 1 2 342.359 2.319 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ncccc2F)CC1 ZINC000430197044 314503235 /nfs/dbraw/zinc/50/32/35/314503235.db2.gz TXIBYSSTPXQETK-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO CC(C)(NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1 ZINC000430247387 314509396 /nfs/dbraw/zinc/50/93/96/314509396.db2.gz GXTXQJGJTAZXEN-ZDUSSCGKSA-N 1 2 343.387 2.341 20 5 EEBDLO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)Cc1ccccc1 ZINC000436954503 315016199 /nfs/dbraw/zinc/01/61/99/315016199.db2.gz WMLGJSIEFBHIDU-HNNXBMFYSA-N 1 2 343.383 2.203 20 5 EEBDLO CC(C)(C)OC(=O)C[NH2+][C@@]1(C)CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000440645707 315141718 /nfs/dbraw/zinc/14/17/18/315141718.db2.gz XABLFZVVVPWQSE-KRWDZBQOSA-N 1 2 335.404 2.495 20 5 EEBDLO CCOCCO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444664570 315315064 /nfs/dbraw/zinc/31/50/64/315315064.db2.gz RGNIBZUWDXSRHS-ZDUSSCGKSA-N 1 2 334.376 2.099 20 5 EEBDLO CCOCCO[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444664570 315315069 /nfs/dbraw/zinc/31/50/69/315315069.db2.gz RGNIBZUWDXSRHS-ZDUSSCGKSA-N 1 2 334.376 2.099 20 5 EEBDLO C[C@@H]1OCC[C@]12C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C[C@@H](C)O2 ZINC000447832459 315369215 /nfs/dbraw/zinc/36/92/15/315369215.db2.gz QKMASVRWUCKACF-PEBVRCNWSA-N 1 2 346.387 2.239 20 5 EEBDLO C[C@@H]1OCC[C@]12C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C[C@@H](C)O2 ZINC000447832459 315369216 /nfs/dbraw/zinc/36/92/16/315369216.db2.gz QKMASVRWUCKACF-PEBVRCNWSA-N 1 2 346.387 2.239 20 5 EEBDLO Cc1sc(S(=O)(=O)NCc2c[nH+]c(C)cc2C)cc1[N+](=O)[O-] ZINC000452039172 315487495 /nfs/dbraw/zinc/48/74/95/315487495.db2.gz GHELANIBYMDDOS-UHFFFAOYSA-N 1 2 341.414 2.455 20 5 EEBDLO CC[C@@H]1OCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000458302300 315695297 /nfs/dbraw/zinc/69/52/97/315695297.db2.gz YKIZKQAKKYJBGL-DOMZBBRYSA-N 1 2 330.344 2.078 20 5 EEBDLO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccn(C)n2)c([N+](=O)[O-])c1 ZINC000459794523 315760006 /nfs/dbraw/zinc/76/00/06/315760006.db2.gz PPYHEWMCCDBBTB-MNOVXSKESA-N 1 2 347.375 2.015 20 5 EEBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000543731834 318170048 /nfs/dbraw/zinc/17/00/48/318170048.db2.gz ZZRKXEYCIAPBAO-UHFFFAOYSA-N 1 2 347.396 2.320 20 5 EEBDLO CCc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000563750519 319041384 /nfs/dbraw/zinc/04/13/84/319041384.db2.gz LJEMIYYCUXLYTD-UHFFFAOYSA-N 1 2 327.388 2.269 20 5 EEBDLO CN(C[C@H]1CCC[C@@H]1O)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000575868382 320120886 /nfs/dbraw/zinc/12/08/86/320120886.db2.gz ODCGOSGOJMLTLM-QAPCUYQASA-N 1 2 349.431 2.024 20 5 EEBDLO C[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)Cn1cc[nH+]c1 ZINC000182807360 323388830 /nfs/dbraw/zinc/38/88/30/323388830.db2.gz RXDGEGBLZXBRBZ-VXGBXAGGSA-N 1 2 334.351 2.486 20 5 EEBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1ccc([N+](=O)[O-])[nH]1 ZINC000610429207 450215006 /nfs/dbraw/zinc/21/50/06/450215006.db2.gz YUTMQAWGVCRXJZ-UHFFFAOYSA-N 1 2 325.328 2.313 20 5 EEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000339192162 465132841 /nfs/dbraw/zinc/13/28/41/465132841.db2.gz MMQZTVZAGFIIEE-CMPLNLGQSA-N 1 2 334.294 2.293 20 5 EEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000339192162 465132846 /nfs/dbraw/zinc/13/28/46/465132846.db2.gz MMQZTVZAGFIIEE-CMPLNLGQSA-N 1 2 334.294 2.293 20 5 EEBDLO Cc1noc(CN2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000337234231 465259157 /nfs/dbraw/zinc/25/91/57/465259157.db2.gz ZQVZIGCXXRYTOO-GFCCVEGCSA-N 1 2 331.376 2.165 20 5 EEBDLO COc1ccc(NC(=O)C[N@H+](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000128284914 462625698 /nfs/dbraw/zinc/62/56/98/462625698.db2.gz BKXIBNIHKOOKCF-UHFFFAOYSA-N 1 2 330.344 2.069 20 5 EEBDLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000128284914 462625700 /nfs/dbraw/zinc/62/57/00/462625700.db2.gz BKXIBNIHKOOKCF-UHFFFAOYSA-N 1 2 330.344 2.069 20 5 EEBDLO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000007639973 462743704 /nfs/dbraw/zinc/74/37/04/462743704.db2.gz IIQBOKLORGUXED-UHFFFAOYSA-N 1 2 343.339 2.394 20 5 EEBDLO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000007639973 462743710 /nfs/dbraw/zinc/74/37/10/462743710.db2.gz IIQBOKLORGUXED-UHFFFAOYSA-N 1 2 343.339 2.394 20 5 EEBDLO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000089932409 462746425 /nfs/dbraw/zinc/74/64/25/462746425.db2.gz JSWXIGRGXLJVDR-GHMZBOCLSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@@H](O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000089932409 462746429 /nfs/dbraw/zinc/74/64/29/462746429.db2.gz JSWXIGRGXLJVDR-GHMZBOCLSA-N 1 2 341.795 2.280 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000065757822 462825570 /nfs/dbraw/zinc/82/55/70/462825570.db2.gz NXXPTPFRMFVPQZ-UHFFFAOYSA-N 1 2 347.375 2.013 20 5 EEBDLO CC(C)(C)C(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000076513924 462872660 /nfs/dbraw/zinc/87/26/60/462872660.db2.gz LYDQBKZADMXTHB-UHFFFAOYSA-N 1 2 335.404 2.164 20 5 EEBDLO CN(C)c1[nH+]cccc1NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000049728229 462975094 /nfs/dbraw/zinc/97/50/94/462975094.db2.gz PZLUGKJRRPHXJE-UHFFFAOYSA-N 1 2 329.360 2.497 20 5 EEBDLO C[C@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC(C)(C)O1 ZINC000067378246 462998124 /nfs/dbraw/zinc/99/81/24/462998124.db2.gz LFXJNRXNPJZXBC-SWLSCSKDSA-N 1 2 333.388 2.199 20 5 EEBDLO C[C@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC(C)(C)O1 ZINC000067378246 462998131 /nfs/dbraw/zinc/99/81/31/462998131.db2.gz LFXJNRXNPJZXBC-SWLSCSKDSA-N 1 2 333.388 2.199 20 5 EEBDLO NC(=O)c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000029147424 463243931 /nfs/dbraw/zinc/24/39/31/463243931.db2.gz HNJBXFVJBXYDAK-UHFFFAOYSA-N 1 2 341.371 2.301 20 5 EEBDLO Cc1cccn2cc(CCNc3ccc(C(N)=O)cc3[N+](=O)[O-])[nH+]c12 ZINC000080691228 463347777 /nfs/dbraw/zinc/34/77/77/463347777.db2.gz VDQLOFBIQJSYLT-UHFFFAOYSA-N 1 2 339.355 2.304 20 5 EEBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000073171732 463590990 /nfs/dbraw/zinc/59/09/90/463590990.db2.gz FUMUTSNJPTXOHU-UHFFFAOYSA-N 1 2 325.328 2.098 20 5 EEBDLO CC(C)(C(=O)NCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000269061282 463862208 /nfs/dbraw/zinc/86/22/08/463862208.db2.gz BEWKUMVHCITQQE-UHFFFAOYSA-N 1 2 328.372 2.496 20 5 EEBDLO COc1cc[nH+]cc1COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000287406263 463889406 /nfs/dbraw/zinc/88/94/06/463889406.db2.gz ZCYGKCIWOOMPMM-UHFFFAOYSA-N 1 2 348.311 2.373 20 5 EEBDLO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000186313416 463974031 /nfs/dbraw/zinc/97/40/31/463974031.db2.gz RVZRFDRHAKBHQA-LLVKDONJSA-N 1 2 332.360 2.356 20 5 EEBDLO Cc1cc(=O)n2nc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)sc2n1 ZINC000180436051 464310334 /nfs/dbraw/zinc/31/03/34/464310334.db2.gz KKJZZXHJDLHMKE-JTQLQIEISA-N 1 2 345.384 2.218 20 5 EEBDLO CCn1cc[nH+]c1/C=C/C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000492406080 468408989 /nfs/dbraw/zinc/40/89/89/468408989.db2.gz FWMASLYXDOPXAZ-BQYQJAHWSA-N 1 2 330.344 2.020 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000282336823 464781091 /nfs/dbraw/zinc/78/10/91/464781091.db2.gz LWJXWFSUKKGDJL-WCQYABFASA-N 1 2 337.376 2.041 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000282336823 464781097 /nfs/dbraw/zinc/78/10/97/464781097.db2.gz LWJXWFSUKKGDJL-WCQYABFASA-N 1 2 337.376 2.041 20 5 EEBDLO CN(C)c1ccc2cc(NC(=O)c3cc([N+](=O)[O-])nn3C)ccc2[nH+]1 ZINC000356419670 465371209 /nfs/dbraw/zinc/37/12/09/465371209.db2.gz BWBSFVXESVYLAB-UHFFFAOYSA-N 1 2 340.343 2.195 20 5 EEBDLO Cc1cc(N[C@@H]2C=C[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339686251 465443055 /nfs/dbraw/zinc/44/30/55/465443055.db2.gz ABAMYNAGWFMTKC-TZMCWYRMSA-N 1 2 326.356 2.131 20 5 EEBDLO 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Cc1ccc2ccccc2c1C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001030292382 789984537 /nfs/dbraw/zinc/98/45/37/789984537.db2.gz FGANGPGTOMSQMX-SJLPKXTDSA-N 1 2 339.395 2.114 20 5 EEBDLO O=C(CCc1[nH]cc[nH+]1)NCCCNc1ccc([N+](=O)[O-])cc1F ZINC001094406685 796232921 /nfs/dbraw/zinc/23/29/21/796232921.db2.gz HOVTZJMAMYBDGI-UHFFFAOYSA-N 1 2 335.339 2.008 20 5 EEBDLO C[N@@H+]1CCO[C@H](COc2cccc(Br)c2[N+](=O)[O-])C1 ZINC001230326754 798525553 /nfs/dbraw/zinc/52/55/53/798525553.db2.gz SVOMUDKLNZVGIM-VIFPVBQESA-N 1 2 331.166 2.067 20 5 EEBDLO C[N@H+]1CCO[C@H](COc2cccc(Br)c2[N+](=O)[O-])C1 ZINC001230326754 798525555 /nfs/dbraw/zinc/52/55/55/798525555.db2.gz SVOMUDKLNZVGIM-VIFPVBQESA-N 1 2 331.166 2.067 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)Cc2c[nH+]cn2C)c1 ZINC001109489993 805549339 /nfs/dbraw/zinc/54/93/39/805549339.db2.gz YVOGLXHWDDZKKP-UHFFFAOYSA-N 1 2 345.403 2.140 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000360266274 282250019 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EEBDLO Cc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000093608060 218235151 /nfs/dbraw/zinc/23/51/51/218235151.db2.gz VFPUHWVMUSYNMW-UHFFFAOYSA-N 1 2 329.356 2.454 20 5 EEBDLO CN1CC[C@@H]([N@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1=O ZINC000271207733 256220265 /nfs/dbraw/zinc/22/02/65/256220265.db2.gz SQCIOVSDOJYCAC-CQSZACIVSA-N 1 2 346.412 2.381 20 5 EEBDLO CN1CC[C@@H]([N@@H+](C)Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1=O ZINC000271207733 256220267 /nfs/dbraw/zinc/22/02/67/256220267.db2.gz SQCIOVSDOJYCAC-CQSZACIVSA-N 1 2 346.412 2.381 20 5 EEBDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000155232207 224381489 /nfs/dbraw/zinc/38/14/89/224381489.db2.gz SMDNKQNJSDMFPF-UHFFFAOYSA-N 1 2 342.355 2.387 20 5 EEBDLO O=C(NCCc1cn2ccccc2[nH+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000067536656 292159760 /nfs/dbraw/zinc/15/97/60/292159760.db2.gz NIZVGWNUUXMDRA-UHFFFAOYSA-N 1 2 339.355 2.284 20 5 EEBDLO CC(C)n1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000072665230 292167982 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340.383 2.256 20 5 EEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccn3cc[nH+]c3c2)n1 ZINC000342683200 161082634 /nfs/dbraw/zinc/08/26/34/161082634.db2.gz TWWJRKXKBZSQAH-UHFFFAOYSA-N 1 2 327.300 2.036 20 5 EEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCn2c[nH+]cc2C1 ZINC000345003022 161263193 /nfs/dbraw/zinc/26/31/93/161263193.db2.gz NSQMMWIUJKSXKZ-JTQLQIEISA-N 1 2 334.763 2.324 20 5 EEBDLO O=C(NCc1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000345257767 161285959 /nfs/dbraw/zinc/28/59/59/161285959.db2.gz BGSNWAZFEZBTHJ-HNNXBMFYSA-N 1 2 342.355 2.353 20 5 EEBDLO Cc1c(C(=O)N(C)CC[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000345394202 161298159 /nfs/dbraw/zinc/29/81/59/161298159.db2.gz GWNCJADQBXYGTJ-CHWSQXEVSA-N 1 2 335.404 2.084 20 5 EEBDLO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000345412759 161299653 /nfs/dbraw/zinc/29/96/53/161299653.db2.gz VFHLUMUCOBGBIS-LLVKDONJSA-N 1 2 341.795 2.041 20 5 EEBDLO CC(C)c1ccc(C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000352434270 162134628 /nfs/dbraw/zinc/13/46/28/162134628.db2.gz UKKLNKZMTFIMJF-CYBMUJFWSA-N 1 2 335.404 2.169 20 5 EEBDLO CC(C)c1ccc(C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000352434270 162134631 /nfs/dbraw/zinc/13/46/31/162134631.db2.gz UKKLNKZMTFIMJF-CYBMUJFWSA-N 1 2 335.404 2.169 20 5 EEBDLO NC(=O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000122986449 222194476 /nfs/dbraw/zinc/19/44/76/222194476.db2.gz JAEJJANISCIFBC-UHFFFAOYSA-N 1 2 342.193 2.055 20 5 EEBDLO C[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000123011585 222199566 /nfs/dbraw/zinc/19/95/66/222199566.db2.gz SRCZNJQPXODVER-CJNGLKHVSA-N 1 2 343.387 2.313 20 5 EEBDLO CCCc1n[nH]c(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000123852988 222341335 /nfs/dbraw/zinc/34/13/35/222341335.db2.gz OIAQKQVTFHVVAY-AAEUAGOBSA-N 1 2 346.391 2.190 20 5 EEBDLO CCCc1[nH]nc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000123852988 222341337 /nfs/dbraw/zinc/34/13/37/222341337.db2.gz OIAQKQVTFHVVAY-AAEUAGOBSA-N 1 2 346.391 2.190 20 5 EEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000279513699 269284127 /nfs/dbraw/zinc/28/41/27/269284127.db2.gz UOEIVMSRLBARPV-UHFFFAOYSA-N 1 2 347.350 2.333 20 5 EEBDLO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cccc[nH+]3)C2)c2nonc21 ZINC000269855307 274118030 /nfs/dbraw/zinc/11/80/30/274118030.db2.gz HHHPLPWIVXOEIL-JTQLQIEISA-N 1 2 326.316 2.217 20 5 EEBDLO CCC(=O)c1ccc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000291167100 275277536 /nfs/dbraw/zinc/27/75/36/275277536.db2.gz QPEBRKGZXUNWTD-UKRRQHHQSA-N 1 2 347.415 2.487 20 5 EEBDLO CC[C@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000115310181 281205079 /nfs/dbraw/zinc/20/50/79/281205079.db2.gz MCZLMBLJLOGKQR-ZDUSSCGKSA-N 1 2 330.344 2.032 20 5 EEBDLO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ncc([N+](=O)[O-])s1 ZINC000281764612 292784624 /nfs/dbraw/zinc/78/46/24/292784624.db2.gz CTGOONRZPFRESK-LBPRGKRZSA-N 1 2 348.432 2.069 20 5 EEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)OCCCO2 ZINC000292884239 293068961 /nfs/dbraw/zinc/06/89/61/293068961.db2.gz CGEDGZHXOURIMQ-CYBMUJFWSA-N 1 2 349.387 2.151 20 5 EEBDLO CC(C)[NH+]1CC(NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000297153045 294165252 /nfs/dbraw/zinc/16/52/52/294165252.db2.gz RRIXZOSCAOBUBG-UHFFFAOYSA-N 1 2 331.294 2.436 20 5 EEBDLO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000068085728 297227962 /nfs/dbraw/zinc/22/79/62/297227962.db2.gz CQLFDPCEUBHRHH-CHWSQXEVSA-N 1 2 335.404 2.398 20 5 EEBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302782133 311549817 /nfs/dbraw/zinc/54/98/17/311549817.db2.gz SIQCHDJSAHAWEQ-LBPRGKRZSA-N 1 2 337.767 2.316 20 5 EEBDLO CCn1cc([N+](=O)[O-])c(-c2nc(CCc3[nH+]cccc3C)no2)n1 ZINC000351134155 312367789 /nfs/dbraw/zinc/36/77/89/312367789.db2.gz VKOSUWHSSZKFJG-UHFFFAOYSA-N 1 2 328.332 2.350 20 5 EEBDLO Cc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(C)[nH+]1 ZINC000420704273 313968083 /nfs/dbraw/zinc/96/80/83/313968083.db2.gz VWDKQHLQKYBYQJ-UHFFFAOYSA-N 1 2 335.385 2.394 20 5 EEBDLO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436869618 315007810 /nfs/dbraw/zinc/00/78/10/315007810.db2.gz NBCKSUMXGNRTGS-STQMWFEESA-N 1 2 335.404 2.398 20 5 EEBDLO COC1(CO)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000447066273 315366312 /nfs/dbraw/zinc/36/63/12/315366312.db2.gz JNIHFFLZJQEGSA-UHFFFAOYSA-N 1 2 346.330 2.170 20 5 EEBDLO COCCN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000448726626 315382756 /nfs/dbraw/zinc/38/27/56/315382756.db2.gz UGUMDSRJXSXDGT-UHFFFAOYSA-N 1 2 330.344 2.032 20 5 EEBDLO Cc1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)c(C)c[nH+]1 ZINC000534300394 317938622 /nfs/dbraw/zinc/93/86/22/317938622.db2.gz ZNQOTCRRNASDCZ-UHFFFAOYSA-N 1 2 337.339 2.467 20 5 EEBDLO CC(C)Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000543987015 318178066 /nfs/dbraw/zinc/17/80/66/318178066.db2.gz UJYWFMGGFGZEQW-UHFFFAOYSA-N 1 2 344.419 2.165 20 5 EEBDLO CC(C)n1nccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296099834 465079942 /nfs/dbraw/zinc/07/99/42/465079942.db2.gz UEAPHKDKDRKOPC-UHFFFAOYSA-N 1 2 330.392 2.089 20 5 EEBDLO O=C1NC[C@H]2[C@@H]1CCC[N@H+]2Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339153182 465111333 /nfs/dbraw/zinc/11/13/33/465111333.db2.gz FPGOYEWKKCRHTE-AAEUAGOBSA-N 1 2 343.305 2.324 20 5 EEBDLO O=C1NC[C@H]2[C@@H]1CCC[N@@H+]2Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339153182 465111337 /nfs/dbraw/zinc/11/13/37/465111337.db2.gz FPGOYEWKKCRHTE-AAEUAGOBSA-N 1 2 343.305 2.324 20 5 EEBDLO Cc1cc(C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)ccc1[N+](=O)[O-] ZINC000075148238 462686723 /nfs/dbraw/zinc/68/67/23/462686723.db2.gz WVFJCZJMPZJOMK-GFCCVEGCSA-N 1 2 348.428 2.152 20 5 EEBDLO O=[N+]([O-])c1cccnc1NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000015171212 462943057 /nfs/dbraw/zinc/94/30/57/462943057.db2.gz GCLUJELJLJROHQ-HNNXBMFYSA-N 1 2 328.372 2.303 20 5 EEBDLO O=[N+]([O-])c1cccnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000015171212 462943062 /nfs/dbraw/zinc/94/30/62/462943062.db2.gz GCLUJELJLJROHQ-HNNXBMFYSA-N 1 2 328.372 2.303 20 5 EEBDLO O=C(c1ccco1)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051183273 463024914 /nfs/dbraw/zinc/02/49/14/463024914.db2.gz HPSQEEOSBNCICL-UHFFFAOYSA-N 1 2 345.355 2.025 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C(=O)NCc2cn3ccccc3[nH+]2)c1 ZINC000067783899 463051271 /nfs/dbraw/zinc/05/12/71/463051271.db2.gz ALXHUPPSLXDJHA-UHFFFAOYSA-N 1 2 326.312 2.181 20 5 EEBDLO CCN(c1cc[nH+]cc1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000120982931 463062339 /nfs/dbraw/zinc/06/23/39/463062339.db2.gz OBZMPOYBTVCGCI-UHFFFAOYSA-N 1 2 335.385 2.389 20 5 EEBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000157436784 463130975 /nfs/dbraw/zinc/13/09/75/463130975.db2.gz ICWDXRNNUGIABF-OAHLLOKOSA-N 1 2 329.356 2.333 20 5 EEBDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)cc([N+](=O)[O-])c1 ZINC000123088849 463316393 /nfs/dbraw/zinc/31/63/93/463316393.db2.gz GFAWIZOJAJZNDO-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCO[C@H]2CCC[C@H]21 ZINC000056193330 463382599 /nfs/dbraw/zinc/38/25/99/463382599.db2.gz FOZDFIYTJTWNRI-ZBFHGGJFSA-N 1 2 342.355 2.174 20 5 EEBDLO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000037171515 463441926 /nfs/dbraw/zinc/44/19/26/463441926.db2.gz UAVAPBICPXCNSJ-INIZCTEOSA-N 1 2 329.356 2.469 20 5 EEBDLO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000037171515 463441930 /nfs/dbraw/zinc/44/19/30/463441930.db2.gz UAVAPBICPXCNSJ-INIZCTEOSA-N 1 2 329.356 2.469 20 5 EEBDLO CCc1nnc([C@@H](C)[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000072664926 463532154 /nfs/dbraw/zinc/53/21/54/463532154.db2.gz SESGZAPAXFIFHO-MNOVXSKESA-N 1 2 332.364 2.183 20 5 EEBDLO CCc1nnc([C@@H](C)[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000072664926 463532158 /nfs/dbraw/zinc/53/21/58/463532158.db2.gz SESGZAPAXFIFHO-MNOVXSKESA-N 1 2 332.364 2.183 20 5 EEBDLO COC(=O)c1ccoc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000112655760 463705614 /nfs/dbraw/zinc/70/56/14/463705614.db2.gz BQPZFZXUDKZZHK-NSHDSACASA-N 1 2 346.343 2.056 20 5 EEBDLO COC(=O)c1ccoc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000112655760 463705615 /nfs/dbraw/zinc/70/56/15/463705615.db2.gz BQPZFZXUDKZZHK-NSHDSACASA-N 1 2 346.343 2.056 20 5 EEBDLO COc1cccc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1[N+](=O)[O-] ZINC000185483405 463830693 /nfs/dbraw/zinc/83/06/93/463830693.db2.gz KELRXKHIXZJELA-LLVKDONJSA-N 1 2 336.417 2.217 20 5 EEBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178150386 463853659 /nfs/dbraw/zinc/85/36/59/463853659.db2.gz QSJRZAAVYNIROP-UHFFFAOYSA-N 1 2 339.355 2.265 20 5 EEBDLO COCC1=CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000185883019 463899047 /nfs/dbraw/zinc/89/90/47/463899047.db2.gz XCEMEOHXWAMKBF-UHFFFAOYSA-N 1 2 339.779 2.465 20 5 EEBDLO COCC1=CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000185883019 463899054 /nfs/dbraw/zinc/89/90/54/463899054.db2.gz XCEMEOHXWAMKBF-UHFFFAOYSA-N 1 2 339.779 2.465 20 5 EEBDLO CCn1cnc2c(c1=O)CC[N@@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000281123956 464340239 /nfs/dbraw/zinc/34/02/39/464340239.db2.gz XTHVBTYJGGMUMM-LBPRGKRZSA-N 1 2 328.372 2.291 20 5 EEBDLO CCn1cnc2c(c1=O)CC[N@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000281123956 464340243 /nfs/dbraw/zinc/34/02/43/464340243.db2.gz XTHVBTYJGGMUMM-LBPRGKRZSA-N 1 2 328.372 2.291 20 5 EEBDLO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000272089096 464475508 /nfs/dbraw/zinc/47/55/08/464475508.db2.gz IXEDJRLPTNZZMV-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)c1c(F)cccc1F ZINC000265335749 464522030 /nfs/dbraw/zinc/52/20/30/464522030.db2.gz ULCRKZRWPAABNT-LBPRGKRZSA-N 1 2 338.314 2.234 20 5 EEBDLO Cc1noc([C@H]2C[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCN2C)n1 ZINC000285614740 464628980 /nfs/dbraw/zinc/62/89/80/464628980.db2.gz VNKYWXATZOFBDG-OAHLLOKOSA-N 1 2 331.376 2.083 20 5 EEBDLO Cc1noc([C@H]2C[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCN2C)n1 ZINC000285614740 464628986 /nfs/dbraw/zinc/62/89/86/464628986.db2.gz VNKYWXATZOFBDG-OAHLLOKOSA-N 1 2 331.376 2.083 20 5 EEBDLO CCOCC[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265836131 464704120 /nfs/dbraw/zinc/70/41/20/464704120.db2.gz UMLIRODMKAKPNG-UHFFFAOYSA-N 1 2 349.431 2.053 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC([NH+]2CCCCC2)CC1 ZINC000273155047 464706901 /nfs/dbraw/zinc/70/69/01/464706901.db2.gz AJNGQULAMYGLLT-UHFFFAOYSA-N 1 2 333.388 2.391 20 5 EEBDLO Cc1cc(N2CCC[N@H+](Cc3cscn3)CC2)ncc1[N+](=O)[O-] ZINC000266839318 464839888 /nfs/dbraw/zinc/83/98/88/464839888.db2.gz LJGJRGUHHQHWMP-UHFFFAOYSA-N 1 2 333.417 2.467 20 5 EEBDLO Cc1cc(N2CCC[N@@H+](Cc3cscn3)CC2)ncc1[N+](=O)[O-] ZINC000266839318 464839895 /nfs/dbraw/zinc/83/98/95/464839895.db2.gz LJGJRGUHHQHWMP-UHFFFAOYSA-N 1 2 333.417 2.467 20 5 EEBDLO CCn1cc[nH+]c1CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000295565529 464883409 /nfs/dbraw/zinc/88/34/09/464883409.db2.gz FSYLOLUSJNBYQE-UHFFFAOYSA-N 1 2 331.376 2.320 20 5 EEBDLO COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184534442 464991650 /nfs/dbraw/zinc/99/16/50/464991650.db2.gz DNLXLMWRMVCYTG-WCQYABFASA-N 1 2 333.344 2.492 20 5 EEBDLO Cc1cc(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000184611069 465007832 /nfs/dbraw/zinc/00/78/32/465007832.db2.gz BGJIXNBMGQQJCR-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO Cc1cc(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000184611069 465007837 /nfs/dbraw/zinc/00/78/37/465007837.db2.gz BGJIXNBMGQQJCR-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO Cc1noc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)n1 ZINC000348109263 465427100 /nfs/dbraw/zinc/42/71/00/465427100.db2.gz KYTTWZFPYZBSNY-UWVGGRQHSA-N 1 2 333.348 2.272 20 5 EEBDLO COc1ccc(C[NH2+][C@](C)(C(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000337684585 465516081 /nfs/dbraw/zinc/51/60/81/465516081.db2.gz PCXFHQLFCJLAJW-KRWDZBQOSA-N 1 2 329.356 2.094 20 5 EEBDLO COc1cc[nH+]cc1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000348330175 465553951 /nfs/dbraw/zinc/55/39/51/465553951.db2.gz RUXAOFWSVFSWOL-UHFFFAOYSA-N 1 2 340.339 2.339 20 5 EEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353026510 465585510 /nfs/dbraw/zinc/58/55/10/465585510.db2.gz VSRMGFUJFYYVPP-QWRGUYRKSA-N 1 2 343.330 2.483 20 5 EEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353026510 465585520 /nfs/dbraw/zinc/58/55/20/465585520.db2.gz VSRMGFUJFYYVPP-QWRGUYRKSA-N 1 2 343.330 2.483 20 5 EEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000299119947 465610882 /nfs/dbraw/zinc/61/08/82/465610882.db2.gz XROWWYXOWUWSSO-ZDUSSCGKSA-N 1 2 331.376 2.188 20 5 EEBDLO Cc1nc(C)n(C[C@@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000331730658 466222453 /nfs/dbraw/zinc/22/24/53/466222453.db2.gz PEUIKPHVDAQFTO-WFASDCNBSA-N 1 2 345.403 2.265 20 5 EEBDLO Cc1nc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)n1 ZINC000331730658 466222457 /nfs/dbraw/zinc/22/24/57/466222457.db2.gz PEUIKPHVDAQFTO-WFASDCNBSA-N 1 2 345.403 2.265 20 5 EEBDLO Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338683282 466310642 /nfs/dbraw/zinc/31/06/42/466310642.db2.gz FSVCOFHDURBSDV-NSHDSACASA-N 1 2 344.337 2.334 20 5 EEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338728868 466340814 /nfs/dbraw/zinc/34/08/14/466340814.db2.gz QNLIQMRZVOSASY-UONOGXRCSA-N 1 2 343.387 2.455 20 5 EEBDLO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338728868 466340821 /nfs/dbraw/zinc/34/08/21/466340821.db2.gz QNLIQMRZVOSASY-UONOGXRCSA-N 1 2 343.387 2.455 20 5 EEBDLO C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000332292454 466492907 /nfs/dbraw/zinc/49/29/07/466492907.db2.gz JMKQNVWIVHPKKB-XHDPSFHLSA-N 1 2 330.344 2.220 20 5 EEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCOCC2(CCC2)C1 ZINC000363910889 466651363 /nfs/dbraw/zinc/65/13/63/466651363.db2.gz SDCODFQWPRVALQ-CYBMUJFWSA-N 1 2 333.388 2.424 20 5 EEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCOCC2(CCC2)C1 ZINC000363910889 466651369 /nfs/dbraw/zinc/65/13/69/466651369.db2.gz SDCODFQWPRVALQ-CYBMUJFWSA-N 1 2 333.388 2.424 20 5 EEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000377142480 467040776 /nfs/dbraw/zinc/04/07/76/467040776.db2.gz QRTZQNMVOVQARY-OAHLLOKOSA-N 1 2 347.415 2.346 20 5 EEBDLO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428358533 467224343 /nfs/dbraw/zinc/22/43/43/467224343.db2.gz DIQTYXMLYGEUHY-NWDGAFQWSA-N 1 2 346.412 2.403 20 5 EEBDLO O=[N+]([O-])c1ccc(NCC2([NH+]3CCOCC3)CCOCC2)c(F)c1 ZINC000413394418 467233769 /nfs/dbraw/zinc/23/37/69/467233769.db2.gz AZYYFGYTRBLEGC-UHFFFAOYSA-N 1 2 339.367 2.027 20 5 EEBDLO O=C1OC[C@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN12 ZINC000378344551 467271449 /nfs/dbraw/zinc/27/14/49/467271449.db2.gz ALPUQZAWXUQGDL-CQSZACIVSA-N 1 2 343.339 2.491 20 5 EEBDLO O=C1OC[C@H]2C[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN12 ZINC000378344551 467271454 /nfs/dbraw/zinc/27/14/54/467271454.db2.gz ALPUQZAWXUQGDL-CQSZACIVSA-N 1 2 343.339 2.491 20 5 EEBDLO COC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000452035760 467309820 /nfs/dbraw/zinc/30/98/20/467309820.db2.gz HCFCNBYVOPNEIJ-CYBMUJFWSA-N 1 2 337.376 2.043 20 5 EEBDLO COC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000452035760 467309824 /nfs/dbraw/zinc/30/98/24/467309824.db2.gz HCFCNBYVOPNEIJ-CYBMUJFWSA-N 1 2 337.376 2.043 20 5 EEBDLO CC[C@@H]([NH2+]Cc1nnnn1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000433235695 467310974 /nfs/dbraw/zinc/31/09/74/467310974.db2.gz OGUQJNSHVJMMFN-OAHLLOKOSA-N 1 2 346.391 2.174 20 5 EEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000408040153 467499033 /nfs/dbraw/zinc/49/90/33/467499033.db2.gz DMBNVJFOSTXSDK-CHWSQXEVSA-N 1 2 341.433 2.006 20 5 EEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000408040153 467499037 /nfs/dbraw/zinc/49/90/37/467499037.db2.gz DMBNVJFOSTXSDK-CHWSQXEVSA-N 1 2 341.433 2.006 20 5 EEBDLO CCNc1ccc(C(=O)NCc2c[nH+]ccc2OC)cc1[N+](=O)[O-] ZINC000431362685 467511164 /nfs/dbraw/zinc/51/11/64/467511164.db2.gz HCITZTVCKAVHQL-UHFFFAOYSA-N 1 2 330.344 2.360 20 5 EEBDLO Cc1ccc(C[N@@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000449529418 467657337 /nfs/dbraw/zinc/65/73/37/467657337.db2.gz WZUVNHHXIKRRGW-AWEZNQCLSA-N 1 2 326.418 2.302 20 5 EEBDLO Cc1ccc(C[N@H+]2CCCC[C@H]2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000449529418 467657341 /nfs/dbraw/zinc/65/73/41/467657341.db2.gz WZUVNHHXIKRRGW-AWEZNQCLSA-N 1 2 326.418 2.302 20 5 EEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000455457456 467685897 /nfs/dbraw/zinc/68/58/97/467685897.db2.gz RFLDOOLKGSMISJ-LBPRGKRZSA-N 1 2 346.391 2.284 20 5 EEBDLO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592195763 468651492 /nfs/dbraw/zinc/65/14/92/468651492.db2.gz UUJOUQAMYQTLTF-GFCCVEGCSA-N 1 2 333.388 2.227 20 5 EEBDLO C[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592195763 468651499 /nfs/dbraw/zinc/65/14/99/468651499.db2.gz UUJOUQAMYQTLTF-GFCCVEGCSA-N 1 2 333.388 2.227 20 5 EEBDLO CC[C@]1(O)CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000601234577 468791772 /nfs/dbraw/zinc/79/17/72/468791772.db2.gz WMNXHEGMXOTMTE-SFHVURJKSA-N 1 2 349.431 2.168 20 5 EEBDLO Cc1cc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC000598595533 468926671 /nfs/dbraw/zinc/92/66/71/468926671.db2.gz IQIBVYXHYKSLDR-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO CC(C)(C)OC(=O)[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000610448904 468971399 /nfs/dbraw/zinc/97/13/99/468971399.db2.gz NKKSLIVNRMWLLN-OAHLLOKOSA-N 1 2 336.388 2.180 20 5 EEBDLO CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000610448904 468971407 /nfs/dbraw/zinc/97/14/07/468971407.db2.gz NKKSLIVNRMWLLN-OAHLLOKOSA-N 1 2 336.388 2.180 20 5 EEBDLO COC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610615553 469018776 /nfs/dbraw/zinc/01/87/76/469018776.db2.gz PHWQYBZWQBEOFB-NSHDSACASA-N 1 2 327.768 2.298 20 5 EEBDLO COC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610615553 469018782 /nfs/dbraw/zinc/01/87/82/469018782.db2.gz PHWQYBZWQBEOFB-NSHDSACASA-N 1 2 327.768 2.298 20 5 EEBDLO COc1ccc(OCC[N@H+](C)Cc2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000595886742 469064831 /nfs/dbraw/zinc/06/48/31/469064831.db2.gz YMMJLLMQWAETFZ-UHFFFAOYSA-N 1 2 338.389 2.274 20 5 EEBDLO COc1ccc(OCC[N@@H+](C)Cc2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000595886742 469064834 /nfs/dbraw/zinc/06/48/34/469064834.db2.gz YMMJLLMQWAETFZ-UHFFFAOYSA-N 1 2 338.389 2.274 20 5 EEBDLO COC(=O)[C@@H](Cc1ccccc1)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000602889197 469145863 /nfs/dbraw/zinc/14/58/63/469145863.db2.gz YWJHOKNLYOAONA-QGZVFWFLSA-N 1 2 344.367 2.348 20 5 EEBDLO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2F)CC1 ZINC000603382759 469370031 /nfs/dbraw/zinc/37/00/31/469370031.db2.gz COTOPXRSMYGZSV-UHFFFAOYSA-N 1 2 330.319 2.091 20 5 EEBDLO Cc1cccc2[nH+]c(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cn21 ZINC000612788727 469550594 /nfs/dbraw/zinc/55/05/94/469550594.db2.gz AWVYUCUMVPBGDD-UHFFFAOYSA-N 1 2 346.368 2.029 20 5 EEBDLO C[C@@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C2CC2)O1 ZINC000619431523 469603692 /nfs/dbraw/zinc/60/36/92/469603692.db2.gz GSFBSOBSGVLBNK-DIFFPNOSSA-N 1 2 334.372 2.365 20 5 EEBDLO C[C@@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C2CC2)O1 ZINC000619431523 469603697 /nfs/dbraw/zinc/60/36/97/469603697.db2.gz GSFBSOBSGVLBNK-DIFFPNOSSA-N 1 2 334.372 2.365 20 5 EEBDLO C[C@H]1C[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C2CC2)O1 ZINC000619431524 469604042 /nfs/dbraw/zinc/60/40/42/469604042.db2.gz GSFBSOBSGVLBNK-GTNSWQLSSA-N 1 2 334.372 2.365 20 5 EEBDLO C[C@H]1C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H](C2CC2)O1 ZINC000619431524 469604046 /nfs/dbraw/zinc/60/40/46/469604046.db2.gz GSFBSOBSGVLBNK-GTNSWQLSSA-N 1 2 334.372 2.365 20 5 EEBDLO C[C@@H]1OCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C ZINC000178198397 534162738 /nfs/dbraw/zinc/16/27/38/534162738.db2.gz XLMQZPZCQXHCLK-RYUDHWBXSA-N 1 2 330.344 2.030 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000032497375 526716270 /nfs/dbraw/zinc/71/62/70/526716270.db2.gz AOGZURJKYCDZAE-UHFFFAOYSA-N 1 2 345.355 2.025 20 5 EEBDLO CC[C@]1(CO)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451237349 535955192 /nfs/dbraw/zinc/95/51/92/535955192.db2.gz AXKMRACRIOWADE-QGZVFWFLSA-N 1 2 344.371 2.158 20 5 EEBDLO COCC1(C)CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000773271551 577328846 /nfs/dbraw/zinc/32/88/46/577328846.db2.gz NAHAZAZEMXKCAL-UHFFFAOYSA-N 1 2 335.360 2.209 20 5 EEBDLO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1)Cn1cc[nH+]c1 ZINC000774516488 577401726 /nfs/dbraw/zinc/40/17/26/577401726.db2.gz AMJOBMUJBGMNEA-LBPRGKRZSA-N 1 2 343.387 2.432 20 5 EEBDLO C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1F)[NH+]1CCSCC1 ZINC000774986742 577425455 /nfs/dbraw/zinc/42/54/55/577425455.db2.gz VKRPZQYZRUVTCD-JTQLQIEISA-N 1 2 328.365 2.214 20 5 EEBDLO CN(C(=O)C[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000776578252 577462981 /nfs/dbraw/zinc/46/29/81/577462981.db2.gz FLOPIOOJRQACEQ-KRWDZBQOSA-N 1 2 349.431 2.351 20 5 EEBDLO CN(C(=O)C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000776578252 577462982 /nfs/dbraw/zinc/46/29/82/577462982.db2.gz FLOPIOOJRQACEQ-KRWDZBQOSA-N 1 2 349.431 2.351 20 5 EEBDLO CN(C(=O)C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000750040611 577986086 /nfs/dbraw/zinc/98/60/86/577986086.db2.gz QAMHGECUWLWCQF-KRWDZBQOSA-N 1 2 349.431 2.351 20 5 EEBDLO CN(C(=O)C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000750040611 577986087 /nfs/dbraw/zinc/98/60/87/577986087.db2.gz QAMHGECUWLWCQF-KRWDZBQOSA-N 1 2 349.431 2.351 20 5 EEBDLO Cc1nn(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c(C)c1[N+](=O)[O-] ZINC000083630494 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332.360 2.325 20 5 EEBDLO Cn1cc[nH+]c1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437976248 467558967 /nfs/dbraw/zinc/55/89/67/467558967.db2.gz GXNAIOBXSMXAIT-UHFFFAOYSA-N 1 2 329.360 2.203 20 5 EEBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000449649800 467676466 /nfs/dbraw/zinc/67/64/66/467676466.db2.gz XSQPMDOCAOPCSM-QMMMGPOBSA-N 1 2 333.722 2.223 20 5 EEBDLO CCC(CC)[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449854984 467729054 /nfs/dbraw/zinc/72/90/54/467729054.db2.gz JZXYUXBFOSXMKR-MRXNPFEDSA-N 1 2 346.387 2.307 20 5 EEBDLO C[C@H](CNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000449961466 467750859 /nfs/dbraw/zinc/75/08/59/467750859.db2.gz VMWLWELLORSTHJ-CYBMUJFWSA-N 1 2 344.371 2.207 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457296726 467796453 /nfs/dbraw/zinc/79/64/53/467796453.db2.gz SNMYQPXUQZSFSG-UHFFFAOYSA-N 1 2 336.373 2.374 20 5 EEBDLO O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1CCc2[nH+]c[nH]c2C1 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CQBMZEVFNDHKGG-LBPRGKRZSA-N 1 2 347.375 2.134 20 5 EEBDLO CC[C@@H](C)C[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000592871140 468810640 /nfs/dbraw/zinc/81/06/40/468810640.db2.gz JBBQETHHSKMFOH-OCCSQVGLSA-N 1 2 346.387 2.307 20 5 EEBDLO CCn1cc(C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cn1 ZINC000593081397 468863635 /nfs/dbraw/zinc/86/36/35/468863635.db2.gz RJVOQENMOGUOAC-UHFFFAOYSA-N 1 2 345.403 2.321 20 5 EEBDLO CCn1cc(C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C(C)C)cn1 ZINC000593081397 468863640 /nfs/dbraw/zinc/86/36/40/468863640.db2.gz RJVOQENMOGUOAC-UHFFFAOYSA-N 1 2 345.403 2.321 20 5 EEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000593639856 469073236 /nfs/dbraw/zinc/07/32/36/469073236.db2.gz AKNMDESVDMOXLH-UHFFFAOYSA-N 1 2 339.355 2.453 20 5 EEBDLO CC(C)OCC[NH+]1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596147601 469175725 /nfs/dbraw/zinc/17/57/25/469175725.db2.gz UNWFFQSZWAWJQJ-UHFFFAOYSA-N 1 2 328.800 2.190 20 5 EEBDLO CC1(F)CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000602993005 469211956 /nfs/dbraw/zinc/21/19/56/469211956.db2.gz NBSSZAVNVOFAQU-UHFFFAOYSA-N 1 2 339.323 2.086 20 5 EEBDLO CCn1cc(C[N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000611271937 469215665 /nfs/dbraw/zinc/21/56/65/469215665.db2.gz QYIAFRRSQNBZGD-UHFFFAOYSA-N 1 2 332.360 2.214 20 5 EEBDLO CCn1cc(C[N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000611271937 469215668 /nfs/dbraw/zinc/21/56/68/469215668.db2.gz QYIAFRRSQNBZGD-UHFFFAOYSA-N 1 2 332.360 2.214 20 5 EEBDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1ccccc1[N+](=O)[O-] ZINC000599444993 469260831 /nfs/dbraw/zinc/26/08/31/469260831.db2.gz IZFOCBFXGONVFR-KRWDZBQOSA-N 1 2 338.371 2.199 20 5 EEBDLO Cc1cc(N[C@H](C)C2(CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596437433 469265984 /nfs/dbraw/zinc/26/59/84/469265984.db2.gz OBOIHLXDQCJFNF-GFCCVEGCSA-N 1 2 328.372 2.355 20 5 EEBDLO CCCc1n[nH]c(C(=O)NCC[NH+]2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000609476832 469931467 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2.268 20 5 EEBDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(Cl)c1[N+](=O)[O-] ZINC000767558894 577539756 /nfs/dbraw/zinc/53/97/56/577539756.db2.gz GMNPSLKKBVXSLP-PHIMTYICSA-N 1 2 340.763 2.268 20 5 EEBDLO Cn1ccnc1-c1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000762113436 577695389 /nfs/dbraw/zinc/69/53/89/577695389.db2.gz GISCDTZCOWIKEC-UHFFFAOYSA-N 1 2 337.299 2.231 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC001059688157 688141948 /nfs/dbraw/zinc/14/19/48/688141948.db2.gz MVLSLRYYMSHFKT-OKILXGFUSA-N 1 2 343.387 2.237 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001059688233 688142477 /nfs/dbraw/zinc/14/24/77/688142477.db2.gz QOWBBWNACHKVNR-PHIMTYICSA-N 1 2 347.350 2.067 20 5 EEBDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556546 1201927659 /nfs/dbraw/zinc/92/76/59/1201927659.db2.gz WMMACLNBRZYVSO-CQSZACIVSA-N 1 2 348.447 2.410 20 5 EEBDLO O=C1CCCN1C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886106730 1202473166 /nfs/dbraw/zinc/47/31/66/1202473166.db2.gz BTVYPUXAUYDJJX-MRXNPFEDSA-N 1 2 340.383 2.443 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935088700 1208092203 /nfs/dbraw/zinc/09/22/03/1208092203.db2.gz FQDVGOQNJDLKSS-KBMXLJTQSA-N 1 2 340.383 2.448 20 5 EEBDLO C[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1C ZINC000778421073 1208246361 /nfs/dbraw/zinc/24/63/61/1208246361.db2.gz DMSUZSHLCGEQMR-MNOVXSKESA-N 1 2 327.331 2.238 20 5 EEBDLO C[C@@H]1CN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000778421073 1208246363 /nfs/dbraw/zinc/24/63/63/1208246363.db2.gz DMSUZSHLCGEQMR-MNOVXSKESA-N 1 2 327.331 2.238 20 5 EEBDLO O=C(Cc1c[nH+]c[nH]1)N1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001057433695 1243761902 /nfs/dbraw/zinc/76/19/02/1243761902.db2.gz QJBYPSRCNMBRFF-UHFFFAOYSA-N 1 2 347.350 2.103 20 5 EEBDLO CCCSc1nc(O[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001217994873 1297544211 /nfs/dbraw/zinc/54/42/11/1297544211.db2.gz CYRXPAISRNQSFI-VIFPVBQESA-N 1 2 328.394 2.113 20 5 EEBDLO CC(C)[NH+]1CC(Oc2ccc3c(c2)oc2cc(=O)ccc-2[n+]3[O-])C1 ZINC001227449403 1301833241 /nfs/dbraw/zinc/83/32/41/1301833241.db2.gz PJXKQTLBWAKXGO-UHFFFAOYSA-N 1 2 326.352 2.003 20 5 EEBDLO C[N@@H+]1CCO[C@@H](COc2c(F)cc(Br)cc2[N+](=O)[O-])C1 ZINC001228481156 1302282231 /nfs/dbraw/zinc/28/22/31/1302282231.db2.gz MENLKSDDHBMGHQ-SECBINFHSA-N 1 2 349.156 2.206 20 5 EEBDLO C[N@H+]1CCO[C@@H](COc2c(F)cc(Br)cc2[N+](=O)[O-])C1 ZINC001228481156 1302282237 /nfs/dbraw/zinc/28/22/37/1302282237.db2.gz MENLKSDDHBMGHQ-SECBINFHSA-N 1 2 349.156 2.206 20 5 EEBDLO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000780762637 1303698720 /nfs/dbraw/zinc/69/87/20/1303698720.db2.gz MQRNRKJCKVXUCG-HOCLYGCPSA-N 1 2 342.355 2.334 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCNC(=O)CC1=CCCCC1 ZINC001235766190 1305373546 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CCN1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1c1ncc[nH]1 ZINC000348362438 465568080 /nfs/dbraw/zinc/56/80/80/465568080.db2.gz IKLKAGHLWSTKME-HNNXBMFYSA-N 1 2 345.403 2.205 20 5 EEBDLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000366690315 465878692 /nfs/dbraw/zinc/87/86/92/465878692.db2.gz ZVTRGBWVOKBHCQ-CYBMUJFWSA-N 1 2 344.375 2.156 20 5 EEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)n1 ZINC000366745276 465911024 /nfs/dbraw/zinc/91/10/24/465911024.db2.gz MCLULPAMEMTOPZ-UHFFFAOYSA-N 1 2 344.331 2.271 20 5 EEBDLO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000361374986 465944466 /nfs/dbraw/zinc/94/44/66/465944466.db2.gz YZHOLUGKWWBBRD-GXSJLCMTSA-N 1 2 327.768 2.296 20 5 EEBDLO CO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000361374986 465944473 /nfs/dbraw/zinc/94/44/73/465944473.db2.gz YZHOLUGKWWBBRD-GXSJLCMTSA-N 1 2 327.768 2.296 20 5 EEBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000367211181 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O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](Cc3ccon3)CC2)c1 ZINC000450356530 467834954 /nfs/dbraw/zinc/83/49/54/467834954.db2.gz HLFVZABGQGWIFS-UHFFFAOYSA-N 1 2 339.355 2.453 20 5 EEBDLO C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450655024 467887834 /nfs/dbraw/zinc/88/78/34/467887834.db2.gz XXWUCUFXRJWFDS-JSGCOSHPSA-N 1 2 344.371 2.156 20 5 EEBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1c[nH+]ccc1-n1ccnn1 ZINC000493737493 467973509 /nfs/dbraw/zinc/97/35/09/467973509.db2.gz HECCHFCFLBDUAJ-PLNGDYQASA-N 1 2 336.311 2.222 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCc1nccs1 ZINC000472343212 467987500 /nfs/dbraw/zinc/98/75/00/467987500.db2.gz APUGDLPZUVMKGB-UHFFFAOYSA-N 1 2 334.401 2.496 20 5 EEBDLO CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000475105350 467991524 /nfs/dbraw/zinc/99/15/24/467991524.db2.gz BUSBFJVDGKEIFO-FZMZJTMJSA-N 1 2 337.376 2.243 20 5 EEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597998725 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Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000767782077 577544843 /nfs/dbraw/zinc/54/48/43/577544843.db2.gz QTJYMFGFTLPUHX-AWEZNQCLSA-N 1 2 343.387 2.418 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC[C@@H]3C3OCCO3)nc2c1 ZINC000769732418 577583217 /nfs/dbraw/zinc/58/32/17/577583217.db2.gz ISRWEWVGEGVAMP-CQSZACIVSA-N 1 2 332.360 2.199 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC[C@@H]3C3OCCO3)nc2c1 ZINC000769732418 577583218 /nfs/dbraw/zinc/58/32/18/577583218.db2.gz ISRWEWVGEGVAMP-CQSZACIVSA-N 1 2 332.360 2.199 20 5 EEBDLO COc1c(C)c[nH+]c(CNC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])c1C ZINC000771390352 577614968 /nfs/dbraw/zinc/61/49/68/577614968.db2.gz SXQZGXPOXMZODY-UHFFFAOYSA-N 1 2 347.375 2.392 20 5 EEBDLO COc1cc(C)[nH+]c(COC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1 ZINC000757718692 577863162 /nfs/dbraw/zinc/86/31/62/577863162.db2.gz SQIWTMBVORDNOA-UHFFFAOYSA-N 1 2 335.291 2.385 20 5 EEBDLO CCCC[C@@H](C(=O)OC)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000744384362 577896771 /nfs/dbraw/zinc/89/67/71/577896771.db2.gz NDBGUNVPDRAIDM-INIZCTEOSA-N 1 2 335.404 2.449 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(N2CC[NH+](C[C@H]3CCCO3)CC2)c(F)c1 ZINC000749304298 577974301 /nfs/dbraw/zinc/97/43/01/577974301.db2.gz GWRDKTMFPSIXPM-GFCCVEGCSA-N 1 2 327.331 2.174 20 5 EEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000928643297 685807442 /nfs/dbraw/zinc/80/74/42/685807442.db2.gz SXNVWXZVNNXENF-LBPRGKRZSA-N 1 2 341.795 2.089 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000876537597 1199662398 /nfs/dbraw/zinc/66/23/98/1199662398.db2.gz VTNDLAVNZVDNQR-QGZVFWFLSA-N 1 2 347.415 2.035 20 5 EEBDLO Cc1[nH]nc(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000870126061 1200489254 /nfs/dbraw/zinc/48/92/54/1200489254.db2.gz XQJCRRYZNVVKDL-CYBMUJFWSA-N 1 2 343.387 2.145 20 5 EEBDLO Cc1n[nH]c(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000870126061 1200489257 /nfs/dbraw/zinc/48/92/57/1200489257.db2.gz XQJCRRYZNVVKDL-CYBMUJFWSA-N 1 2 343.387 2.145 20 5 EEBDLO C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1CO ZINC000879365664 1201025137 /nfs/dbraw/zinc/02/51/37/1201025137.db2.gz POMIOMRRDQDHLU-QMTHXVAHSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1CO ZINC000879365664 1201025145 /nfs/dbraw/zinc/02/51/45/1201025145.db2.gz POMIOMRRDQDHLU-QMTHXVAHSA-N 1 2 341.795 2.280 20 5 EEBDLO CCOc1cccc(C[N@H+](CCO)Cc2cccnc2[N+](=O)[O-])c1 ZINC000886239265 1202483884 /nfs/dbraw/zinc/48/38/84/1202483884.db2.gz SPHGMYDWSGBJHY-UHFFFAOYSA-N 1 2 331.372 2.383 20 5 EEBDLO CCOc1cccc(C[N@@H+](CCO)Cc2cccnc2[N+](=O)[O-])c1 ZINC000886239265 1202483885 /nfs/dbraw/zinc/48/38/85/1202483885.db2.gz SPHGMYDWSGBJHY-UHFFFAOYSA-N 1 2 331.372 2.383 20 5 EEBDLO O=C(OC[C@@H]1CCC[C@H](O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000795557225 1213862305 /nfs/dbraw/zinc/86/23/05/1213862305.db2.gz SGYWRLLJGZFKSI-OCCSQVGLSA-N 1 2 345.355 2.488 20 5 EEBDLO COc1c(C(=O)OCc2cc[nH+]c(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000796307987 1215757894 /nfs/dbraw/zinc/75/78/94/1215757894.db2.gz ACAPPTPDJPYSKG-UHFFFAOYSA-N 1 2 331.328 2.421 20 5 EEBDLO C[C@@H]1COCC[N@@H+]1CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000856729485 1293609077 /nfs/dbraw/zinc/60/90/77/1293609077.db2.gz WNPCYBDATZZPRR-SNVBAGLBSA-N 1 2 344.209 2.490 20 5 EEBDLO C[C@@H]1COCC[N@H+]1CCNc1cccc(Br)c1[N+](=O)[O-] ZINC000856729485 1293609084 /nfs/dbraw/zinc/60/90/84/1293609084.db2.gz WNPCYBDATZZPRR-SNVBAGLBSA-N 1 2 344.209 2.490 20 5 EEBDLO CC1(C)COCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859172287 1294339602 /nfs/dbraw/zinc/33/96/02/1294339602.db2.gz VOJARUXXZFRIGZ-UHFFFAOYSA-N 1 2 341.795 2.089 20 5 EEBDLO CC1(C)COCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000859172287 1294339610 /nfs/dbraw/zinc/33/96/10/1294339610.db2.gz VOJARUXXZFRIGZ-UHFFFAOYSA-N 1 2 341.795 2.089 20 5 EEBDLO C[N@@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001226041056 1301243106 /nfs/dbraw/zinc/24/31/06/1301243106.db2.gz LTDWYKGQSDOWEI-JTQLQIEISA-N 1 2 331.166 2.067 20 5 EEBDLO C[N@H+]1CCO[C@H](COc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001226041056 1301243113 /nfs/dbraw/zinc/24/31/13/1301243113.db2.gz LTDWYKGQSDOWEI-JTQLQIEISA-N 1 2 331.166 2.067 20 5 EEBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C[N@@H+]1C ZINC001226510137 1301441332 /nfs/dbraw/zinc/44/13/32/1301441332.db2.gz ZCEFQQCJNMRFGE-ABAIWWIYSA-N 1 2 330.340 2.373 20 5 EEBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C[N@H+]1C ZINC001226510137 1301441339 /nfs/dbraw/zinc/44/13/39/1301441339.db2.gz ZCEFQQCJNMRFGE-ABAIWWIYSA-N 1 2 330.340 2.373 20 5 EEBDLO CCNc1cc(CNC(=O)NCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC001228678514 1302376114 /nfs/dbraw/zinc/37/61/14/1302376114.db2.gz IQAFEKPPSMCMIP-UHFFFAOYSA-N 1 2 329.360 2.421 20 5 EEBDLO C[N@@H+]1CC[C@H](Oc2c(I)cccc2[N+](=O)[O-])C1 ZINC001229879453 1302974453 /nfs/dbraw/zinc/97/44/53/1302974453.db2.gz DEWHPYDDDXTZIM-QMMMGPOBSA-N 1 2 348.140 2.282 20 5 EEBDLO C[N@H+]1CC[C@H](Oc2c(I)cccc2[N+](=O)[O-])C1 ZINC001229879453 1302974455 /nfs/dbraw/zinc/97/44/55/1302974455.db2.gz DEWHPYDDDXTZIM-QMMMGPOBSA-N 1 2 348.140 2.282 20 5 EEBDLO Cc1nn(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000797420353 1304739378 /nfs/dbraw/zinc/73/93/78/1304739378.db2.gz NQMONKVRSKPKDX-CQSZACIVSA-N 1 2 343.387 2.042 20 5 EEBDLO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000797420353 1304739384 /nfs/dbraw/zinc/73/93/84/1304739384.db2.gz NQMONKVRSKPKDX-CQSZACIVSA-N 1 2 343.387 2.042 20 5 EEBDLO Cn1cc[nH+]c1CCNC(=O)c1cccc2nc3ccccc3nc21 ZINC001153872240 1316906099 /nfs/dbraw/zinc/90/60/99/1316906099.db2.gz NFGZPTVHXGOUAK-UHFFFAOYSA-N 1 2 331.379 2.489 20 5 EEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001254566991 1318125073 /nfs/dbraw/zinc/12/50/73/1318125073.db2.gz VSJGBYNMVRNWMQ-GXTWGEPZSA-N 1 2 326.418 2.035 20 5 EEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001254566991 1318125081 /nfs/dbraw/zinc/12/50/81/1318125081.db2.gz VSJGBYNMVRNWMQ-GXTWGEPZSA-N 1 2 326.418 2.035 20 5 EEBDLO COc1cc(N2CCN(c3nc(C)cc(C)c3[N+](=O)[O-])CC2)cc[nH+]1 ZINC001158100094 1319014145 /nfs/dbraw/zinc/01/41/45/1319014145.db2.gz WZHMULNFJUFTHX-UHFFFAOYSA-N 1 2 343.387 2.337 20 5 EEBDLO [NH3+]Cc1nccnc1Nc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001160246418 1320110815 /nfs/dbraw/zinc/11/08/15/1320110815.db2.gz QZRNPGXNYIMRTA-UHFFFAOYSA-N 1 2 331.723 2.184 20 5 EEBDLO COCC[NH+](CCOC)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848475630 1338704854 /nfs/dbraw/zinc/70/48/54/1338704854.db2.gz OXAYHIDCHRQZKK-UHFFFAOYSA-N 1 2 334.376 2.011 20 5 EEBDLO COc1cccc2c1CC[C@@]2([NH3+])C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001579291416 1344365992 /nfs/dbraw/zinc/36/59/92/1344365992.db2.gz JEOGTGNWAJFADZ-SFHVURJKSA-N 1 2 342.351 2.447 20 5 EEBDLO Cc1cc(C)c(CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])c[nH+]1 ZINC001605642013 1351208431 /nfs/dbraw/zinc/20/84/31/1351208431.db2.gz SXTZYEORRCXNMR-UHFFFAOYSA-N 1 2 325.332 2.399 20 5 EEBDLO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCc1ccn2cc[nH+]c2c1 ZINC001607084510 1351411755 /nfs/dbraw/zinc/41/17/55/1351411755.db2.gz JUFLTYHNWRWVMQ-UHFFFAOYSA-N 1 2 336.315 2.035 20 5 EEBDLO O=C(C[N@H+]1CCC[C@@H](O)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000815300572 1367963246 /nfs/dbraw/zinc/96/32/46/1367963246.db2.gz VNIRIQUQRGQPIP-LLVKDONJSA-N 1 2 327.768 2.034 20 5 EEBDLO O=C(C[N@@H+]1CCC[C@@H](O)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000815300572 1367963248 /nfs/dbraw/zinc/96/32/48/1367963248.db2.gz VNIRIQUQRGQPIP-LLVKDONJSA-N 1 2 327.768 2.034 20 5 EEBDLO CCOC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)CC1 ZINC000853492005 1369340503 /nfs/dbraw/zinc/34/05/03/1369340503.db2.gz XNXKZPXFUSYOSH-UHFFFAOYSA-N 1 2 331.376 2.312 20 5 EEBDLO COc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c([N+](=O)[O-])cc1C ZINC000853614205 1369358085 /nfs/dbraw/zinc/35/80/85/1369358085.db2.gz HLXLBGRXBISMKB-KGLIPLIRSA-N 1 2 335.404 2.211 20 5 EEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000859797235 1369445289 /nfs/dbraw/zinc/44/52/89/1369445289.db2.gz SGEOBJHFUXLVPB-KRWDZBQOSA-N 1 2 340.383 2.354 20 5 EEBDLO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000859797235 1369445291 /nfs/dbraw/zinc/44/52/91/1369445291.db2.gz SGEOBJHFUXLVPB-KRWDZBQOSA-N 1 2 340.383 2.354 20 5 EEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](CCOc3ccccc3)CC2)c(F)c1 ZINC000413030408 721955358 /nfs/dbraw/zinc/95/53/58/721955358.db2.gz VGRBTXJBLILPSU-UHFFFAOYSA-N 1 2 346.362 2.330 20 5 EEBDLO C[NH+]1CCC(ONC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000846650397 790310539 /nfs/dbraw/zinc/31/05/39/790310539.db2.gz QZTLXWMHMDSFHZ-UHFFFAOYSA-N 1 2 339.367 2.154 20 5 EEBDLO C[C@@H]1CCCCN1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000912153958 788006555 /nfs/dbraw/zinc/00/65/55/788006555.db2.gz HCPARDPSZZFMDO-GFCCVEGCSA-N 1 2 329.360 2.300 20 5 EEBDLO COC(=O)c1ccc(OC(=O)C[C@H](C)n2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000844478220 789128842 /nfs/dbraw/zinc/12/88/42/789128842.db2.gz FOFDVKCEVBCGSP-JTQLQIEISA-N 1 2 333.300 2.135 20 5 EEBDLO Cc1ccc(N(C)CCCN(C)C(=O)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC001112118510 790216930 /nfs/dbraw/zinc/21/69/30/790216930.db2.gz JVCUCNQVQYBDQH-UHFFFAOYSA-N 1 2 345.403 2.154 20 5 EEBDLO O=[N+]([O-])c1cnc(NCC2([NH+]3CCCC3)COC2)c(C(F)(F)F)c1 ZINC001168451287 795098059 /nfs/dbraw/zinc/09/80/59/795098059.db2.gz HCAJQRUMTIVGBD-UHFFFAOYSA-N 1 2 346.309 2.285 20 5 EEBDLO O=C(Cc1[nH]cc[nH+]1)NCCC1(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC001089956262 795526505 /nfs/dbraw/zinc/52/65/05/795526505.db2.gz JOGJYISHERWKAB-UHFFFAOYSA-N 1 2 343.387 2.259 20 5 EEBDLO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000496614131 283899233 /nfs/dbraw/zinc/89/92/33/283899233.db2.gz AKYBWCZPRQHKDG-VXGBXAGGSA-N 1 2 337.376 2.257 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451751214 243244594 /nfs/dbraw/zinc/24/45/94/243244594.db2.gz APXZVKFXYYTQMP-QFIPXVFZSA-N 1 2 326.418 2.336 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451751214 243244602 /nfs/dbraw/zinc/24/46/02/243244602.db2.gz APXZVKFXYYTQMP-QFIPXVFZSA-N 1 2 326.418 2.336 20 5 EEBDLO O=[N+]([O-])c1ccccc1N1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000079710464 217250485 /nfs/dbraw/zinc/25/04/85/217250485.db2.gz GZRWGJSBYHPRND-UHFFFAOYSA-N 1 2 333.310 2.296 20 5 EEBDLO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000009917570 211133536 /nfs/dbraw/zinc/13/35/36/211133536.db2.gz XZIGJMJJUCKTKK-UHFFFAOYSA-N 1 2 329.356 2.292 20 5 EEBDLO COCC[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000117288299 221044908 /nfs/dbraw/zinc/04/49/08/221044908.db2.gz WUDUYZINMGGRHA-LLVKDONJSA-N 1 2 341.795 2.041 20 5 EEBDLO COCC[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000117288299 221044910 /nfs/dbraw/zinc/04/49/10/221044910.db2.gz WUDUYZINMGGRHA-LLVKDONJSA-N 1 2 341.795 2.041 20 5 EEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@](C)(O)C1 ZINC000267299593 256046906 /nfs/dbraw/zinc/04/69/06/256046906.db2.gz CGUBVGLXVLEGQW-XPTSAGLGSA-N 1 2 327.768 2.032 20 5 EEBDLO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@](C)(O)C1 ZINC000267299593 256046908 /nfs/dbraw/zinc/04/69/08/256046908.db2.gz CGUBVGLXVLEGQW-XPTSAGLGSA-N 1 2 327.768 2.032 20 5 EEBDLO C[C@@H]1CCC[C@H](CO)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270423451 256134178 /nfs/dbraw/zinc/13/41/78/256134178.db2.gz GNOXJEBOMNBYHK-ZYHUDNBSSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@@H]1CCC[C@H](CO)[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000270423451 256134180 /nfs/dbraw/zinc/13/41/80/256134180.db2.gz GNOXJEBOMNBYHK-ZYHUDNBSSA-N 1 2 341.795 2.422 20 5 EEBDLO Cc1cc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000268037945 256107335 /nfs/dbraw/zinc/10/73/35/256107335.db2.gz MYFDADGRYLFLDB-HNNXBMFYSA-N 1 2 346.431 2.036 20 5 EEBDLO O=C(c1cc(NCCn2cc[nH+]c2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000273443833 256297264 /nfs/dbraw/zinc/29/72/64/256297264.db2.gz DSACKRKHNWQSDM-UHFFFAOYSA-N 1 2 329.360 2.139 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000101548889 159252353 /nfs/dbraw/zinc/25/23/53/159252353.db2.gz DQMYDWIFBUZLNG-KRWDZBQOSA-N 1 2 329.356 2.094 20 5 EEBDLO O=C(NCCCNc1cccc[nH+]1)NCCc1cccc([N+](=O)[O-])c1 ZINC000119646009 159380487 /nfs/dbraw/zinc/38/04/87/159380487.db2.gz LMEAEXBWXMLNEI-UHFFFAOYSA-N 1 2 343.387 2.334 20 5 EEBDLO O=C(NCC(F)(F)C(F)F)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000192023738 160165806 /nfs/dbraw/zinc/16/58/06/160165806.db2.gz KHRGWJCBCLRNAU-UHFFFAOYSA-N 1 2 346.240 2.411 20 5 EEBDLO Cc1sc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000342568995 161074735 /nfs/dbraw/zinc/07/47/35/161074735.db2.gz QUSBHHXKFVLVMF-VIFPVBQESA-N 1 2 342.402 2.214 20 5 EEBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(COc3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000349855058 161640068 /nfs/dbraw/zinc/64/00/68/161640068.db2.gz UHUMZXMHJLREPL-AWEZNQCLSA-N 1 2 348.359 2.339 20 5 EEBDLO 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Cc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000045968609 462634449 /nfs/dbraw/zinc/63/44/49/462634449.db2.gz NGOXMQJPIIBTTA-UHFFFAOYSA-N 1 2 337.339 2.414 20 5 EEBDLO O=C(NCC[NH+]1CCOCC1)c1cc2ccccc2c2cccnc12 ZINC000046762329 462702120 /nfs/dbraw/zinc/70/21/20/462702120.db2.gz QPWBENPMEMQOAW-UHFFFAOYSA-N 1 2 335.407 2.450 20 5 EEBDLO C[N@H+](CCC(F)(F)F)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000064634918 462713538 /nfs/dbraw/zinc/71/35/38/462713538.db2.gz QBZHFIIQXKFTOL-UHFFFAOYSA-N 1 2 331.294 2.368 20 5 EEBDLO C[N@@H+](CCC(F)(F)F)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000064634918 462713541 /nfs/dbraw/zinc/71/35/41/462713541.db2.gz QBZHFIIQXKFTOL-UHFFFAOYSA-N 1 2 331.294 2.368 20 5 EEBDLO Cc1nc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000065300885 462755640 /nfs/dbraw/zinc/75/56/40/462755640.db2.gz IVUJWHJXVLDOSO-CQSZACIVSA-N 1 2 337.401 2.231 20 5 EEBDLO Cc1nc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000065300885 462755651 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EEBDLO CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072978924 463568596 /nfs/dbraw/zinc/56/85/96/463568596.db2.gz SYKOCKJXWDOIQJ-MRXNPFEDSA-N 1 2 347.415 2.231 20 5 EEBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000255641520 463740124 /nfs/dbraw/zinc/74/01/24/463740124.db2.gz IXJOCGJGIOLCAY-SBSDFTTDSA-N 1 2 326.356 2.496 20 5 EEBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000286993873 463766226 /nfs/dbraw/zinc/76/62/26/463766226.db2.gz PQQGJHQTBRQBOO-CYBMUJFWSA-N 1 2 325.340 2.444 20 5 EEBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000286993873 463766231 /nfs/dbraw/zinc/76/62/31/463766231.db2.gz PQQGJHQTBRQBOO-CYBMUJFWSA-N 1 2 325.340 2.444 20 5 EEBDLO CCOc1cc(C[NH+]2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC000276867933 463787194 /nfs/dbraw/zinc/78/71/94/463787194.db2.gz HEBXESXZQLIWRX-UHFFFAOYSA-N 1 2 343.387 2.106 20 5 EEBDLO CCOc1cc(C[N@H+](C)[C@@H](C)CS(=O)(=O)CC)ccc1[N+](=O)[O-] ZINC000276900649 463799846 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20 5 EEBDLO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000286414936 464909299 /nfs/dbraw/zinc/90/92/99/464909299.db2.gz FNBNFUXEDJKUGT-UHFFFAOYSA-N 1 2 347.371 2.488 20 5 EEBDLO COc1ccncc1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000286674501 465000743 /nfs/dbraw/zinc/00/07/43/465000743.db2.gz APPHOTINRXFGAB-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO Cn1ccnc1[C@@H]([NH2+]CCOCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353404370 465859696 /nfs/dbraw/zinc/85/96/96/465859696.db2.gz OSPCDHKNFFYILI-INIZCTEOSA-N 1 2 330.388 2.434 20 5 EEBDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000353415891 465867061 /nfs/dbraw/zinc/86/70/61/465867061.db2.gz KRMGZQCGVXXNJS-UHFFFAOYSA-N 1 2 327.344 2.021 20 5 EEBDLO O=C(NCCNc1ccc2ccccc2[nH+]1)c1csc([N+](=O)[O-])c1 ZINC000345844027 465909169 /nfs/dbraw/zinc/90/91/69/465909169.db2.gz YMZDPOCXDAIRLD-UHFFFAOYSA-N 1 2 342.380 3.046 20 5 EEBDLO CCc1cc(NCCn2cc([N+](=O)[O-])cn2)nc(-c2ccncc2)[nH+]1 ZINC000301739148 466020660 /nfs/dbraw/zinc/02/06/60/466020660.db2.gz WUCIMULNOVWZMK-UHFFFAOYSA-N 1 2 339.359 2.318 20 5 EEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367085351 466120766 /nfs/dbraw/zinc/12/07/66/466120766.db2.gz PTRVDZFHMXKDAM-QGZVFWFLSA-N 1 2 340.383 2.096 20 5 EEBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000353892869 466237887 /nfs/dbraw/zinc/23/78/87/466237887.db2.gz HFBJCUYOTNESGZ-CYBMUJFWSA-N 1 2 349.387 2.094 20 5 EEBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000353892869 466237890 /nfs/dbraw/zinc/23/78/90/466237890.db2.gz HFBJCUYOTNESGZ-CYBMUJFWSA-N 1 2 349.387 2.094 20 5 EEBDLO CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000304342192 466286632 /nfs/dbraw/zinc/28/66/32/466286632.db2.gz YRUGLRUKMNLJJP-PXAZEXFGSA-N 1 2 346.387 2.307 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000350463704 466504778 /nfs/dbraw/zinc/50/47/78/466504778.db2.gz VOCZGANWCYSMSL-SFHVURJKSA-N 1 2 339.395 2.446 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000350463704 466504782 /nfs/dbraw/zinc/50/47/82/466504782.db2.gz VOCZGANWCYSMSL-SFHVURJKSA-N 1 2 339.395 2.446 20 5 EEBDLO CCCc1n[nH]c(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000373075405 466684781 /nfs/dbraw/zinc/68/47/81/466684781.db2.gz VWLMQDQBSXLIPL-NSHDSACASA-N 1 2 346.391 2.024 20 5 EEBDLO CCCc1[nH]nc(C(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000373075405 466684784 /nfs/dbraw/zinc/68/47/84/466684784.db2.gz VWLMQDQBSXLIPL-NSHDSACASA-N 1 2 346.391 2.024 20 5 EEBDLO Cc1cc(OCC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000373821136 466932180 /nfs/dbraw/zinc/93/21/80/466932180.db2.gz APILJCUBLOSYNW-AWEZNQCLSA-N 1 2 330.344 2.369 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1CN(C)C(C)(C)C[NH+]1CCOCC1 ZINC000412097318 467008128 /nfs/dbraw/zinc/00/81/28/467008128.db2.gz OLDLKPIEIPSJQV-UHFFFAOYSA-N 1 2 337.420 2.146 20 5 EEBDLO Cn1c[nH+]cc1CNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000426483885 467142780 /nfs/dbraw/zinc/14/27/80/467142780.db2.gz QXOHCQYYBLVRNP-UHFFFAOYSA-N 1 2 337.339 2.320 20 5 EEBDLO COCCCCN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000419021399 467162106 /nfs/dbraw/zinc/16/21/06/467162106.db2.gz YLDLKFXEJBBEIQ-UHFFFAOYSA-N 1 2 337.420 2.290 20 5 EEBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000451794335 467267876 /nfs/dbraw/zinc/26/78/76/467267876.db2.gz GMWAEBKOTHSRPV-ZDUSSCGKSA-N 1 2 327.331 2.331 20 5 EEBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000451794335 467267879 /nfs/dbraw/zinc/26/78/79/467267879.db2.gz GMWAEBKOTHSRPV-ZDUSSCGKSA-N 1 2 327.331 2.331 20 5 EEBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000434711553 467423432 /nfs/dbraw/zinc/42/34/32/467423432.db2.gz PUDLKNGRWJADAN-GFCCVEGCSA-N 1 2 327.812 2.401 20 5 EEBDLO C[C@H](CN1CCOCC1)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000434711553 467423434 /nfs/dbraw/zinc/42/34/34/467423434.db2.gz PUDLKNGRWJADAN-GFCCVEGCSA-N 1 2 327.812 2.401 20 5 EEBDLO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000434711553 467423437 /nfs/dbraw/zinc/42/34/37/467423437.db2.gz PUDLKNGRWJADAN-GFCCVEGCSA-N 1 2 327.812 2.401 20 5 EEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000408040464 467499291 /nfs/dbraw/zinc/49/92/91/467499291.db2.gz HHKVHTDMUWDXTP-QWHCGFSZSA-N 1 2 341.433 2.006 20 5 EEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000408040464 467499295 /nfs/dbraw/zinc/49/92/95/467499295.db2.gz HHKVHTDMUWDXTP-QWHCGFSZSA-N 1 2 341.433 2.006 20 5 EEBDLO COc1ccc(CNC(=O)N[C@@H]2C[C@@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000454308241 467583122 /nfs/dbraw/zinc/58/31/22/467583122.db2.gz VSSOECGPEHZRJR-ZYHUDNBSSA-N 1 2 345.359 2.305 20 5 EEBDLO O=C(NCC1(O)CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449953859 467750484 /nfs/dbraw/zinc/75/04/84/467750484.db2.gz SFFKKLNTHQQFGE-UHFFFAOYSA-N 1 2 344.371 2.206 20 5 EEBDLO CN(CC1CCOCC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450334228 467829652 /nfs/dbraw/zinc/82/96/52/467829652.db2.gz ZKKCBVLGBRXLCU-UHFFFAOYSA-N 1 2 344.371 2.279 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000516331416 468024744 /nfs/dbraw/zinc/02/47/44/468024744.db2.gz ODJSNLGGGHMASQ-UHFFFAOYSA-N 1 2 343.318 2.188 20 5 EEBDLO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000562542035 468985170 /nfs/dbraw/zinc/98/51/70/468985170.db2.gz VTRJEMQLETWSNE-CYBMUJFWSA-N 1 2 343.387 2.058 20 5 EEBDLO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000562542035 468985177 /nfs/dbraw/zinc/98/51/77/468985177.db2.gz VTRJEMQLETWSNE-CYBMUJFWSA-N 1 2 343.387 2.058 20 5 EEBDLO C[N@@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](CO)C1 ZINC000602717041 469029573 /nfs/dbraw/zinc/02/95/73/469029573.db2.gz XUBVDCCVRAARII-ZDUSSCGKSA-N 1 2 347.440 2.432 20 5 EEBDLO C[N@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@H](CO)C1 ZINC000602717041 469029580 /nfs/dbraw/zinc/02/95/80/469029580.db2.gz XUBVDCCVRAARII-ZDUSSCGKSA-N 1 2 347.440 2.432 20 5 EEBDLO C[C@H]1C[NH+](C(C)(C)CNc2c(Cl)cncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000589104504 469194691 /nfs/dbraw/zinc/19/46/91/469194691.db2.gz MJUOXCMEQXGCRQ-QWRGUYRKSA-N 1 2 342.827 2.365 20 5 EEBDLO CC[C@]1(O)CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000602983377 469203316 /nfs/dbraw/zinc/20/33/16/469203316.db2.gz JEMLCDFMIZUFTL-HNNXBMFYSA-N 1 2 341.795 2.424 20 5 EEBDLO CC[C@]1(O)CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000602983377 469203322 /nfs/dbraw/zinc/20/33/22/469203322.db2.gz JEMLCDFMIZUFTL-HNNXBMFYSA-N 1 2 341.795 2.424 20 5 EEBDLO Cn1nccc1[C@H]1c2[nH]c[nH+]c2CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000599444272 469259661 /nfs/dbraw/zinc/25/96/61/469259661.db2.gz IGQYQIHNFZMRIF-KRWDZBQOSA-N 1 2 338.371 2.199 20 5 EEBDLO O=C(NC[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000139639144 490674237 /nfs/dbraw/zinc/67/42/37/490674237.db2.gz TXDFLPIOURNTTP-ZDUSSCGKSA-N 1 2 330.344 2.079 20 5 EEBDLO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1c(F)cncc1F ZINC000353223395 490757185 /nfs/dbraw/zinc/75/71/85/490757185.db2.gz AJJKSKBCXCRTKO-MRVPVSSYSA-N 1 2 336.298 2.218 20 5 EEBDLO C[C@@H](CNC(=O)CCCNc1ccc([N+](=O)[O-])cc1)Cn1cc[nH+]c1 ZINC000153395596 533891195 /nfs/dbraw/zinc/89/11/95/533891195.db2.gz YCZOQSPJKNDCRX-AWEZNQCLSA-N 1 2 345.403 2.436 20 5 EEBDLO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000728543295 576505026 /nfs/dbraw/zinc/50/50/26/576505026.db2.gz VBVHVYQYRCPQOJ-GFCCVEGCSA-N 1 2 345.315 2.177 20 5 EEBDLO C[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000776598802 577463961 /nfs/dbraw/zinc/46/39/61/577463961.db2.gz WLSJEIYNDIDDFW-SMDDNHRTSA-N 1 2 347.337 2.197 20 5 EEBDLO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000776598802 577463962 /nfs/dbraw/zinc/46/39/62/577463962.db2.gz WLSJEIYNDIDDFW-SMDDNHRTSA-N 1 2 347.337 2.197 20 5 EEBDLO C[C@@H]1CC[N@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C[C@H]1C ZINC000766382157 577518269 /nfs/dbraw/zinc/51/82/69/577518269.db2.gz PXOMLBGTAQAONR-VXGBXAGGSA-N 1 2 332.360 2.347 20 5 EEBDLO C[C@@H]1CC[N@@H+](Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)C[C@H]1C ZINC000766382157 577518270 /nfs/dbraw/zinc/51/82/70/577518270.db2.gz PXOMLBGTAQAONR-VXGBXAGGSA-N 1 2 332.360 2.347 20 5 EEBDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000767582969 577540318 /nfs/dbraw/zinc/54/03/18/577540318.db2.gz GCOYRMAPRIVDQK-TXEJJXNPSA-N 1 2 340.763 2.268 20 5 EEBDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000767582969 577540319 /nfs/dbraw/zinc/54/03/19/577540319.db2.gz GCOYRMAPRIVDQK-TXEJJXNPSA-N 1 2 340.763 2.268 20 5 EEBDLO Cn1c(-c2nc(-c3cccc(-n4cc[nH+]c4)n3)no2)ccc1[N+](=O)[O-] ZINC000762217742 577697461 /nfs/dbraw/zinc/69/74/61/577697461.db2.gz YRUAMMXMHBHLMV-UHFFFAOYSA-N 1 2 337.299 2.231 20 5 EEBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000740759184 578107080 /nfs/dbraw/zinc/10/70/80/578107080.db2.gz RBGAJQGEJVDVNV-OAHLLOKOSA-N 1 2 332.360 2.129 20 5 EEBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCCC[C@@H]2C2OCCO2)c1 ZINC000740759184 578107081 /nfs/dbraw/zinc/10/70/81/578107081.db2.gz RBGAJQGEJVDVNV-OAHLLOKOSA-N 1 2 332.360 2.129 20 5 EEBDLO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000895316852 684482286 /nfs/dbraw/zinc/48/22/86/684482286.db2.gz RQZYOFZXNSMICG-ZDUSSCGKSA-N 1 2 346.412 2.333 20 5 EEBDLO CCc1cc(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000813172595 1201141781 /nfs/dbraw/zinc/14/17/81/1201141781.db2.gz LBNXEOIWAKCTDL-HNNXBMFYSA-N 1 2 344.371 2.312 20 5 EEBDLO CCc1cc(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000813172595 1201141785 /nfs/dbraw/zinc/14/17/85/1201141785.db2.gz LBNXEOIWAKCTDL-HNNXBMFYSA-N 1 2 344.371 2.312 20 5 EEBDLO O=[N+]([O-])c1c(F)nccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000881751000 1201751669 /nfs/dbraw/zinc/75/16/69/1201751669.db2.gz IYGWAWVJZRAWHT-CQSZACIVSA-N 1 2 346.362 2.442 20 5 EEBDLO O=[N+]([O-])c1c(F)nccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000881751000 1201751671 /nfs/dbraw/zinc/75/16/71/1201751671.db2.gz IYGWAWVJZRAWHT-CQSZACIVSA-N 1 2 346.362 2.442 20 5 EEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000928642333 1206405841 /nfs/dbraw/zinc/40/58/41/1206405841.db2.gz GJDYGYPBZBMIOY-OAHLLOKOSA-N 1 2 349.431 2.361 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935088699 1208092457 /nfs/dbraw/zinc/09/24/57/1208092457.db2.gz FQDVGOQNJDLKSS-FVQBIDKESA-N 1 2 340.383 2.448 20 5 EEBDLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001097088645 1243687313 /nfs/dbraw/zinc/68/73/13/1243687313.db2.gz ORWZKJWXROFMBT-JOCQHMNTSA-N 1 2 347.350 2.080 20 5 EEBDLO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852051228 1291973252 /nfs/dbraw/zinc/97/32/52/1291973252.db2.gz XADIQPAEPQXXMK-ZDUSSCGKSA-N 1 2 325.340 2.444 20 5 EEBDLO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000852051228 1291973258 /nfs/dbraw/zinc/97/32/58/1291973258.db2.gz XADIQPAEPQXXMK-ZDUSSCGKSA-N 1 2 325.340 2.444 20 5 EEBDLO COC(=O)NC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000852765811 1292191575 /nfs/dbraw/zinc/19/15/75/1292191575.db2.gz WGZVLXLOJLBCOI-UHFFFAOYSA-N 1 2 341.339 2.063 20 5 EEBDLO Cn1nccc1[C@@H](O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000856801891 1293639611 /nfs/dbraw/zinc/63/96/11/1293639611.db2.gz ZPBWVJRJHJMLOJ-HNNXBMFYSA-N 1 2 336.417 2.335 20 5 EEBDLO CC[C@H]1[C@H](C)CC[N@@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794640952 1296482179 /nfs/dbraw/zinc/48/21/79/1296482179.db2.gz AVUXBNWBQHTWAM-YPMHNXCESA-N 1 2 332.360 2.489 20 5 EEBDLO CC[C@H]1[C@H](C)CC[N@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000794640952 1296482182 /nfs/dbraw/zinc/48/21/82/1296482182.db2.gz AVUXBNWBQHTWAM-YPMHNXCESA-N 1 2 332.360 2.489 20 5 EEBDLO O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cccc3[nH+]ccn32)n1 ZINC001217500330 1297450986 /nfs/dbraw/zinc/45/09/86/1297450986.db2.gz CVVRAFBUOFGKRX-UHFFFAOYSA-N 1 2 326.247 2.494 20 5 EEBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccnc3c2ccc2cccnc23)C[N@@H+]1C ZINC001234088400 1304734313 /nfs/dbraw/zinc/73/43/13/1304734313.db2.gz WNSCYJVMNVQLSU-HIFRSBDPSA-N 1 2 337.379 2.408 20 5 EEBDLO COC(=O)[C@@H]1C[C@@H](Oc2ccnc3c2ccc2cccnc23)C[N@H+]1C ZINC001234088400 1304734322 /nfs/dbraw/zinc/73/43/22/1304734322.db2.gz WNSCYJVMNVQLSU-HIFRSBDPSA-N 1 2 337.379 2.408 20 5 EEBDLO CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001162850048 1320973844 /nfs/dbraw/zinc/97/38/44/1320973844.db2.gz RWLPEFPDFMQQEV-LBPRGKRZSA-N 1 2 332.360 2.224 20 5 EEBDLO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1F ZINC000828402568 1314456741 /nfs/dbraw/zinc/45/67/41/1314456741.db2.gz DLLNRQUVWYHWJB-SECBINFHSA-N 1 2 338.314 2.444 20 5 EEBDLO 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Cc1cc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)on1 ZINC000267039461 248557101 /nfs/dbraw/zinc/55/71/01/248557101.db2.gz OQWPUIBBDWONNY-UHFFFAOYSA-N 1 2 334.351 2.348 20 5 EEBDLO CCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267198583 256036873 /nfs/dbraw/zinc/03/68/73/256036873.db2.gz FLQBCKDRSIOLRB-UHFFFAOYSA-N 1 2 329.198 2.284 20 5 EEBDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000267934733 256097710 /nfs/dbraw/zinc/09/77/10/256097710.db2.gz XBCMPSCQXRVQTG-UHFFFAOYSA-N 1 2 330.344 2.007 20 5 EEBDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccon1 ZINC000347672718 161473113 /nfs/dbraw/zinc/47/31/13/161473113.db2.gz OJSYAWKOGUGXOL-JTQLQIEISA-N 1 2 327.300 2.260 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)n1 ZINC000359642978 164143858 /nfs/dbraw/zinc/14/38/58/164143858.db2.gz SNPHTUOXBAYTPR-KGLIPLIRSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)n1 ZINC000359642978 164143859 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2.117 20 5 EEBDLO C[C@H]1SCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000118414231 280089970 /nfs/dbraw/zinc/08/99/70/280089970.db2.gz JAWXJESQNGXWTC-VXGBXAGGSA-N 1 2 335.429 2.310 20 5 EEBDLO C[C@H]1SCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000118414231 280089971 /nfs/dbraw/zinc/08/99/71/280089971.db2.gz JAWXJESQNGXWTC-VXGBXAGGSA-N 1 2 335.429 2.310 20 5 EEBDLO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299181195 294682516 /nfs/dbraw/zinc/68/25/16/294682516.db2.gz ZICCAQFWGJKONA-UHFFFAOYSA-N 1 2 344.371 2.050 20 5 EEBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCN(c2cccnn2)CC1 ZINC000163525779 311384917 /nfs/dbraw/zinc/38/49/17/311384917.db2.gz ACOQNBHAJOOJHO-UHFFFAOYSA-N 1 2 333.779 2.360 20 5 EEBDLO CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000305211686 311572771 /nfs/dbraw/zinc/57/27/71/311572771.db2.gz HFIMKMSBOQDUCS-OAHLLOKOSA-N 1 2 344.371 2.156 20 5 EEBDLO CC(C)c1ccc(C[NH2+]Cc2nc3ncccn3n2)cc1[N+](=O)[O-] 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2.302 20 5 EEBDLO CNc1ccc(C(=O)NCc2ccc(N(C)C)[nH+]c2)cc1[N+](=O)[O-] ZINC000046386677 462676166 /nfs/dbraw/zinc/67/61/66/462676166.db2.gz CSBUXNZSFLEOEN-UHFFFAOYSA-N 1 2 329.360 2.028 20 5 EEBDLO CCNC(=O)C[N@H+](CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007584899 462740683 /nfs/dbraw/zinc/74/06/83/462740683.db2.gz PJIWUOPWGCBXLR-NSHDSACASA-N 1 2 347.375 2.164 20 5 EEBDLO CCNC(=O)C[N@@H+](CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007584899 462740688 /nfs/dbraw/zinc/74/06/88/462740688.db2.gz PJIWUOPWGCBXLR-NSHDSACASA-N 1 2 347.375 2.164 20 5 EEBDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744897 462820343 /nfs/dbraw/zinc/82/03/43/462820343.db2.gz NHQXVDSURBCNNJ-GJZGRUSLSA-N 1 2 348.447 2.410 20 5 EEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])NCc1cn2ccccc2[nH+]1 ZINC000068004993 463078551 /nfs/dbraw/zinc/07/85/51/463078551.db2.gz MPCLDGKYRAAXQO-UHFFFAOYSA-N 1 2 340.339 2.328 20 5 EEBDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590775145 468335594 /nfs/dbraw/zinc/33/55/94/468335594.db2.gz RDKLAWJOOAGYAS-AWEZNQCLSA-N 1 2 328.372 2.277 20 5 EEBDLO C[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Cn1cc[nH+]c1 ZINC000135447879 463156908 /nfs/dbraw/zinc/15/69/08/463156908.db2.gz CMYMUDZAYCUCTB-GFCCVEGCSA-N 1 2 341.371 2.268 20 5 EEBDLO O=C(C[NH+]1CCC(CCO)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000069598470 463284007 /nfs/dbraw/zinc/28/40/07/463284007.db2.gz VZIRLENGSMIORP-UHFFFAOYSA-N 1 2 341.795 2.281 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000080540324 463329661 /nfs/dbraw/zinc/32/96/61/463329661.db2.gz UWYHNPGJRBWQKA-UHFFFAOYSA-N 1 2 346.431 2.038 20 5 EEBDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000033236839 463419032 /nfs/dbraw/zinc/41/90/32/463419032.db2.gz BDCXVAOKAGHLEW-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000105349958 463451146 /nfs/dbraw/zinc/45/11/46/463451146.db2.gz ILZXRUVONTUWLB-UHFFFAOYSA-N 1 2 342.783 2.044 20 5 EEBDLO Cn1c[nH+]cc1CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000193626654 463722755 /nfs/dbraw/zinc/72/27/55/463722755.db2.gz KYAOGVFIZDVGIZ-UHFFFAOYSA-N 1 2 328.372 2.452 20 5 EEBDLO Cn1ccnc1[C@H]([NH2+]CC1=CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000287223538 463839091 /nfs/dbraw/zinc/83/90/91/463839091.db2.gz XSOOWKGOKJSXBZ-MRXNPFEDSA-N 1 2 328.372 2.354 20 5 EEBDLO Cc1[nH+]ccn1CCCN(C)C(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269558448 464019553 /nfs/dbraw/zinc/01/95/53/464019553.db2.gz BYEDTJNIAOBDQJ-UHFFFAOYSA-N 1 2 334.380 2.109 20 5 EEBDLO Cc1[nH+]ccn1CCCN(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269558448 464019556 /nfs/dbraw/zinc/01/95/56/464019556.db2.gz BYEDTJNIAOBDQJ-UHFFFAOYSA-N 1 2 334.380 2.109 20 5 EEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279215355 464067304 /nfs/dbraw/zinc/06/73/04/464067304.db2.gz CGUIDBLSCQIVOK-WQGACYEGSA-N 1 2 333.388 2.421 20 5 EEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279215355 464067308 /nfs/dbraw/zinc/06/73/08/464067308.db2.gz CGUIDBLSCQIVOK-WQGACYEGSA-N 1 2 333.388 2.421 20 5 EEBDLO COc1ccc(NC(=O)C[N@@H+]2CCSCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000279233834 464072057 /nfs/dbraw/zinc/07/20/57/464072057.db2.gz JKQSOKVGSHNIJZ-NSHDSACASA-N 1 2 339.417 2.369 20 5 EEBDLO COc1ccc(NC(=O)C[N@H+]2CCSCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000279233834 464072062 /nfs/dbraw/zinc/07/20/62/464072062.db2.gz JKQSOKVGSHNIJZ-NSHDSACASA-N 1 2 339.417 2.369 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1Cl ZINC000179165170 464072315 /nfs/dbraw/zinc/07/23/15/464072315.db2.gz KBKLLRVGAPIZCQ-NSHDSACASA-N 1 2 337.767 2.004 20 5 EEBDLO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000279235590 464073540 /nfs/dbraw/zinc/07/35/40/464073540.db2.gz FIXJJTFLDTYNMO-WBMJQRKESA-N 1 2 333.388 2.057 20 5 EEBDLO C[C@@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000279235590 464073547 /nfs/dbraw/zinc/07/35/47/464073547.db2.gz FIXJJTFLDTYNMO-WBMJQRKESA-N 1 2 333.388 2.057 20 5 EEBDLO CN1CC[NH+](Cc2cccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c2)CC1 ZINC000294672515 464570838 /nfs/dbraw/zinc/57/08/38/464570838.db2.gz XFFXMPBSYCTCOZ-UHFFFAOYSA-N 1 2 348.447 2.208 20 5 EEBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000191038068 464766794 /nfs/dbraw/zinc/76/67/94/464766794.db2.gz AUMZLCHLQBHJGM-SECBINFHSA-N 1 2 344.297 2.303 20 5 EEBDLO C[C@@H](O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000183157537 464810881 /nfs/dbraw/zinc/81/08/81/464810881.db2.gz LWRMTHQNKMTPDN-AXFHLTTASA-N 1 2 341.795 2.278 20 5 EEBDLO C[C@@H](O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000183157537 464810885 /nfs/dbraw/zinc/81/08/85/464810885.db2.gz LWRMTHQNKMTPDN-AXFHLTTASA-N 1 2 341.795 2.278 20 5 EEBDLO CC1(O)CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000177303081 464981476 /nfs/dbraw/zinc/98/14/76/464981476.db2.gz RISKIIOEYXCGPU-UHFFFAOYSA-N 1 2 327.768 2.034 20 5 EEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000342802003 465353185 /nfs/dbraw/zinc/35/31/85/465353185.db2.gz HFCMEWCLTLVFTQ-NSHDSACASA-N 1 2 345.359 2.271 20 5 EEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353026508 465586017 /nfs/dbraw/zinc/58/60/17/465586017.db2.gz VSRMGFUJFYYVPP-GHMZBOCLSA-N 1 2 343.330 2.483 20 5 EEBDLO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353026508 465586022 /nfs/dbraw/zinc/58/60/22/465586022.db2.gz VSRMGFUJFYYVPP-GHMZBOCLSA-N 1 2 343.330 2.483 20 5 EEBDLO C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000344397746 465609065 /nfs/dbraw/zinc/60/90/65/465609065.db2.gz VDDFEQNGIAHRGT-OAHLLOKOSA-N 1 2 349.434 2.317 20 5 EEBDLO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000344397746 465609075 /nfs/dbraw/zinc/60/90/75/465609075.db2.gz VDDFEQNGIAHRGT-OAHLLOKOSA-N 1 2 349.434 2.317 20 5 EEBDLO Cc1cc[nH+]c(C)c1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000362397800 465705320 /nfs/dbraw/zinc/70/53/20/465705320.db2.gz SSRQVCRCKHSGBF-UHFFFAOYSA-N 1 2 342.311 2.153 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000593998310 468455083 /nfs/dbraw/zinc/45/50/83/468455083.db2.gz GIRSWIPZIJFXAA-KRWDZBQOSA-N 1 2 333.388 2.237 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]12CCNC2=O ZINC000593998310 468455088 /nfs/dbraw/zinc/45/50/88/468455088.db2.gz GIRSWIPZIJFXAA-KRWDZBQOSA-N 1 2 333.388 2.237 20 5 EEBDLO CCOc1cc(C[N@H+](CCO)Cc2cnn(CC)c2)ccc1[N+](=O)[O-] ZINC000361358728 465933417 /nfs/dbraw/zinc/93/34/17/465933417.db2.gz ZJFVGEXUJPAEME-UHFFFAOYSA-N 1 2 348.403 2.204 20 5 EEBDLO CCOc1cc(C[N@@H+](CCO)Cc2cnn(CC)c2)ccc1[N+](=O)[O-] ZINC000361358728 465933424 /nfs/dbraw/zinc/93/34/24/465933424.db2.gz ZJFVGEXUJPAEME-UHFFFAOYSA-N 1 2 348.403 2.204 20 5 EEBDLO CC(=O)c1ccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000302786106 466185826 /nfs/dbraw/zinc/18/58/26/466185826.db2.gz VUKJXILMJXMIQL-MRXNPFEDSA-N 1 2 344.371 2.471 20 5 EEBDLO Cc1nc(C)n(C[C@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000331739290 466227687 /nfs/dbraw/zinc/22/76/87/466227687.db2.gz WMNLMUNGFXUCCE-YVEFUNNKSA-N 1 2 345.403 2.265 20 5 EEBDLO Cc1nc(C)n(C[C@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000331739290 466227696 /nfs/dbraw/zinc/22/76/96/466227696.db2.gz WMNLMUNGFXUCCE-YVEFUNNKSA-N 1 2 345.403 2.265 20 5 EEBDLO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1 ZINC000349850339 466272059 /nfs/dbraw/zinc/27/20/59/466272059.db2.gz LWDXRJXWAQTUCE-ZDUSSCGKSA-N 1 2 333.348 2.130 20 5 EEBDLO Cc1ncc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1 ZINC000349850339 466272068 /nfs/dbraw/zinc/27/20/68/466272068.db2.gz LWDXRJXWAQTUCE-ZDUSSCGKSA-N 1 2 333.348 2.130 20 5 EEBDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000340901354 466421731 /nfs/dbraw/zinc/42/17/31/466421731.db2.gz LBJBGOKOEFLKLF-CYBMUJFWSA-N 1 2 345.403 2.404 20 5 EEBDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000340901354 466421737 /nfs/dbraw/zinc/42/17/37/466421737.db2.gz LBJBGOKOEFLKLF-CYBMUJFWSA-N 1 2 345.403 2.404 20 5 EEBDLO Cc1ccn2cc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])[nH+]c2c1 ZINC000354380590 466521820 /nfs/dbraw/zinc/52/18/20/466521820.db2.gz BWVSRFJBVZGBGL-UHFFFAOYSA-N 1 2 325.328 2.063 20 5 EEBDLO COc1cccc(N2CCC([C@@H](O)c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000375658559 466852768 /nfs/dbraw/zinc/85/27/68/466852768.db2.gz RGKUMSXEMCFXFI-OAHLLOKOSA-N 1 2 332.360 2.277 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1csnn1 ZINC000412041655 466976059 /nfs/dbraw/zinc/97/60/59/466976059.db2.gz NPQZKCSOYMELIN-JTQLQIEISA-N 1 2 335.389 2.434 20 5 EEBDLO CC(C)Oc1cc(C(=O)N2CCn3c[nH+]cc3C2)ccc1[N+](=O)[O-] ZINC000412369534 467075382 /nfs/dbraw/zinc/07/53/82/467075382.db2.gz OCXYYWDTVKAJSF-UHFFFAOYSA-N 1 2 330.344 2.235 20 5 EEBDLO CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000451939317 467289122 /nfs/dbraw/zinc/28/91/22/467289122.db2.gz ZULRLSZMOSJALB-ZDUSSCGKSA-N 1 2 341.433 2.008 20 5 EEBDLO CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000451939317 467289125 /nfs/dbraw/zinc/28/91/25/467289125.db2.gz ZULRLSZMOSJALB-ZDUSSCGKSA-N 1 2 341.433 2.008 20 5 EEBDLO CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000451939436 467289261 /nfs/dbraw/zinc/28/92/61/467289261.db2.gz ZYFIOORIMUWPAH-CYBMUJFWSA-N 1 2 341.433 2.008 20 5 EEBDLO CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000451939436 467289262 /nfs/dbraw/zinc/28/92/62/467289262.db2.gz ZYFIOORIMUWPAH-CYBMUJFWSA-N 1 2 341.433 2.008 20 5 EEBDLO CC[N@@H+]1CCO[C@H](c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)C1 ZINC000420487862 467420686 /nfs/dbraw/zinc/42/06/86/467420686.db2.gz NUAAPECOIAIDOV-AWEZNQCLSA-N 1 2 332.360 2.270 20 5 EEBDLO CC[N@H+]1CCO[C@H](c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)C1 ZINC000420487862 467420690 /nfs/dbraw/zinc/42/06/90/467420690.db2.gz NUAAPECOIAIDOV-AWEZNQCLSA-N 1 2 332.360 2.270 20 5 EEBDLO NC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000420589143 467429782 /nfs/dbraw/zinc/42/97/82/467429782.db2.gz SWNWAWUOYXDLRE-UHFFFAOYSA-N 1 2 341.371 2.301 20 5 EEBDLO C[C@H]1COCC[N@@H+]1CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436416144 467534513 /nfs/dbraw/zinc/53/45/13/467534513.db2.gz YNDIMHZLXONOAX-VIFPVBQESA-N 1 2 334.298 2.141 20 5 EEBDLO C[C@H]1COCC[N@H+]1CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436416144 467534515 /nfs/dbraw/zinc/53/45/15/467534515.db2.gz YNDIMHZLXONOAX-VIFPVBQESA-N 1 2 334.298 2.141 20 5 EEBDLO C[C@@H]1C[C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000454576816 467602138 /nfs/dbraw/zinc/60/21/38/467602138.db2.gz ISNXEAQETCRXQA-DGCLKSJQSA-N 1 2 329.360 2.339 20 5 EEBDLO CCCCCN(CCO)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450253119 467809870 /nfs/dbraw/zinc/80/98/70/467809870.db2.gz MQGWSSNQPWRSMN-UHFFFAOYSA-N 1 2 346.387 2.405 20 5 EEBDLO CC(C)(C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450282084 467816575 /nfs/dbraw/zinc/81/65/75/467816575.db2.gz FSQOZVSYDYCQQZ-ZDUSSCGKSA-N 1 2 346.387 2.307 20 5 EEBDLO C[C@@H]1C[C@H](Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450833337 467915875 /nfs/dbraw/zinc/91/58/75/467915875.db2.gz SOYHGIKSOGBDTC-KOLCDFICSA-N 1 2 336.373 2.313 20 5 EEBDLO Cc1c(C(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000597847695 468691677 /nfs/dbraw/zinc/69/16/77/468691677.db2.gz QNRMHHCZLPJBJG-CQSZACIVSA-N 1 2 346.387 2.126 20 5 EEBDLO CCN1CCN(c2c(OC)cccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000583882654 468770102 /nfs/dbraw/zinc/77/01/02/468770102.db2.gz OMKZAMGTHORGJX-ZDUSSCGKSA-N 1 2 331.376 2.210 20 5 EEBDLO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000595396051 468838813 /nfs/dbraw/zinc/83/88/13/468838813.db2.gz CRBRRASROOIJCN-UHFFFAOYSA-N 1 2 330.363 2.447 20 5 EEBDLO Cc1noc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1[N+](=O)[O-] ZINC000595437573 468852055 /nfs/dbraw/zinc/85/20/55/468852055.db2.gz GFLHPIGVDGUXOF-GFCCVEGCSA-N 1 2 325.365 2.445 20 5 EEBDLO Cc1noc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1[N+](=O)[O-] ZINC000595437573 468852060 /nfs/dbraw/zinc/85/20/60/468852060.db2.gz GFLHPIGVDGUXOF-GFCCVEGCSA-N 1 2 325.365 2.445 20 5 EEBDLO Cc1noc(C[NH+]2CCC([C@](C)(O)C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000595442468 468854559 /nfs/dbraw/zinc/85/45/59/468854559.db2.gz SALIEQIEHMBVMD-LBPRGKRZSA-N 1 2 337.298 2.417 20 5 EEBDLO O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598508696 468893007 /nfs/dbraw/zinc/89/30/07/468893007.db2.gz HKPSURBCOBLORS-OAHLLOKOSA-N 1 2 341.367 2.305 20 5 EEBDLO O=C(NC[C@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598508696 468893011 /nfs/dbraw/zinc/89/30/11/468893011.db2.gz HKPSURBCOBLORS-OAHLLOKOSA-N 1 2 341.367 2.305 20 5 EEBDLO Cc1noc(C[NH+]2CCC(Oc3ncc(C)cn3)CC2)c1[N+](=O)[O-] ZINC000595558520 468902414 /nfs/dbraw/zinc/90/24/14/468902414.db2.gz AAUMLWUISLJQND-UHFFFAOYSA-N 1 2 333.348 2.033 20 5 EEBDLO CC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC000593286575 468929002 /nfs/dbraw/zinc/92/90/02/468929002.db2.gz ZHWJVUQHGWFYSZ-TZMCWYRMSA-N 1 2 344.371 2.420 20 5 EEBDLO C[C@@H]1COCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610991124 469132752 /nfs/dbraw/zinc/13/27/52/469132752.db2.gz KUHWBDKKXCJDNZ-SNVBAGLBSA-N 1 2 327.768 2.298 20 5 EEBDLO C[C@@H]1COCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610991124 469132757 /nfs/dbraw/zinc/13/27/57/469132757.db2.gz KUHWBDKKXCJDNZ-SNVBAGLBSA-N 1 2 327.768 2.298 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610991106 469132837 /nfs/dbraw/zinc/13/28/37/469132837.db2.gz HCFDMOGFWBBHHD-LBPRGKRZSA-N 1 2 337.376 2.043 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000610991106 469132841 /nfs/dbraw/zinc/13/28/41/469132841.db2.gz HCFDMOGFWBBHHD-LBPRGKRZSA-N 1 2 337.376 2.043 20 5 EEBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611155839 469175447 /nfs/dbraw/zinc/17/54/47/469175447.db2.gz CAPMOWVSZALICA-MRXNPFEDSA-N 1 2 343.387 2.381 20 5 EEBDLO CC(C)[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000619154645 469539349 /nfs/dbraw/zinc/53/93/49/469539349.db2.gz BHMCVCSMMFWJRY-GOSISDBHSA-N 1 2 349.431 2.288 20 5 EEBDLO CNc1c(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000613231657 469664457 /nfs/dbraw/zinc/66/44/57/469664457.db2.gz WIUNHWATRSXBGN-LBPRGKRZSA-N 1 2 329.360 2.310 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000619868433 469690980 /nfs/dbraw/zinc/69/09/80/469690980.db2.gz GJGMLVQVMTZNEW-UHFFFAOYSA-N 1 2 333.388 2.248 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000619868433 469690985 /nfs/dbraw/zinc/69/09/85/469690985.db2.gz GJGMLVQVMTZNEW-UHFFFAOYSA-N 1 2 333.388 2.248 20 5 EEBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000610422373 470013721 /nfs/dbraw/zinc/01/37/21/470013721.db2.gz ODZUBCTYGQPPGH-QGZVFWFLSA-N 1 2 340.383 2.271 20 5 EEBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000610422373 470013725 /nfs/dbraw/zinc/01/37/25/470013725.db2.gz ODZUBCTYGQPPGH-QGZVFWFLSA-N 1 2 340.383 2.271 20 5 EEBDLO CC(C)(O)CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000190088533 527338451 /nfs/dbraw/zinc/33/84/51/527338451.db2.gz BYXVOZFVNUQFBE-UHFFFAOYSA-N 1 2 344.371 2.156 20 5 EEBDLO Cc1ccn2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3N)[nH+]c2c1 ZINC000746319343 577925966 /nfs/dbraw/zinc/92/59/66/577925966.db2.gz QRDOQFGSJKKHDY-UHFFFAOYSA-N 1 2 325.328 2.063 20 5 EEBDLO COc1c(C)c[nH+]c(COC(=O)CCn2cc([N+](=O)[O-])nc2C)c1C ZINC000736801317 578224539 /nfs/dbraw/zinc/22/45/39/578224539.db2.gz SQNHNMMMVIQERT-UHFFFAOYSA-N 1 2 348.359 2.254 20 5 EEBDLO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC000933297826 676577967 /nfs/dbraw/zinc/57/79/67/676577967.db2.gz BDOYFBMUTMOFDH-DAXOMENPSA-N 1 2 328.372 2.347 20 5 EEBDLO O=[N+]([O-])c1ccnn1CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000054428459 690096271 /nfs/dbraw/zinc/09/62/71/690096271.db2.gz JRJHRGWMZHVLNG-UHFFFAOYSA-N 1 2 335.795 2.220 20 5 EEBDLO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000865899500 1198418142 /nfs/dbraw/zinc/41/81/42/1198418142.db2.gz FNOCXRCPCABAFA-SECBINFHSA-N 1 2 332.187 2.157 20 5 EEBDLO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000865899500 1198418144 /nfs/dbraw/zinc/41/81/44/1198418144.db2.gz FNOCXRCPCABAFA-SECBINFHSA-N 1 2 332.187 2.157 20 5 EEBDLO O=C(C[N@@H+]1CC[C@H](n2cccn2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000812877221 1200964206 /nfs/dbraw/zinc/96/42/06/1200964206.db2.gz UFWNOLUEAOYBES-LBPRGKRZSA-N 1 2 349.778 2.330 20 5 EEBDLO O=C(C[N@H+]1CC[C@H](n2cccn2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000812877221 1200964211 /nfs/dbraw/zinc/96/42/11/1200964211.db2.gz UFWNOLUEAOYBES-LBPRGKRZSA-N 1 2 349.778 2.330 20 5 EEBDLO O=[N+]([O-])c1ncccc1C[NH+]1CCC(Oc2cncc(Cl)n2)CC1 ZINC000886145131 1202477059 /nfs/dbraw/zinc/47/70/59/1202477059.db2.gz PSFVXRVXPICMJH-UHFFFAOYSA-N 1 2 349.778 2.477 20 5 EEBDLO Cc1ccc(N(C)CCCNC(=O)CCc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC001095532191 1205860376 /nfs/dbraw/zinc/86/03/76/1205860376.db2.gz MJVXRYGRCVBLQF-UHFFFAOYSA-N 1 2 345.403 2.202 20 5 EEBDLO CC(C)[C@](C)([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C(N)=O ZINC000930459929 1206559787 /nfs/dbraw/zinc/55/97/87/1206559787.db2.gz FWEDIEZTIOJVFT-ZDUSSCGKSA-N 1 2 344.209 2.347 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097262159 1243889536 /nfs/dbraw/zinc/88/95/36/1243889536.db2.gz GOJBIKJVWQSUPP-OKILXGFUSA-N 1 2 329.360 2.010 20 5 EEBDLO O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097262159 1243889548 /nfs/dbraw/zinc/88/95/48/1243889548.db2.gz GOJBIKJVWQSUPP-OKILXGFUSA-N 1 2 329.360 2.010 20 5 EEBDLO COc1ccc(S(=O)(=O)N2c3cc[nH+]cc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000857901153 1293947682 /nfs/dbraw/zinc/94/76/82/1293947682.db2.gz IXUHDQQNKBWOCQ-SNVBAGLBSA-N 1 2 349.368 2.138 20 5 EEBDLO O=[N+]([O-])c1cccc(O)c1-c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001216846977 1297312142 /nfs/dbraw/zinc/31/21/42/1297312142.db2.gz IWAMUZHGDPTZRC-UHFFFAOYSA-N 1 2 339.311 2.058 20 5 EEBDLO C[C@@H]1C[NH2+]CCC[C@H]1Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001217994313 1297544545 /nfs/dbraw/zinc/54/45/45/1297544545.db2.gz ZEUFSZADYOZTAV-VXNVDRBHSA-N 1 2 335.282 2.481 20 5 EEBDLO O=[N+]([O-])c1cc(Br)cc(F)c1O[C@H]1C[NH2+]CC1(F)F ZINC001218232759 1297609419 /nfs/dbraw/zinc/60/94/19/1297609419.db2.gz GCVDHGUWLXUPOW-QMMMGPOBSA-N 1 2 341.083 2.482 20 5 EEBDLO CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001102023467 1300157780 /nfs/dbraw/zinc/15/77/80/1300157780.db2.gz VZWXGSUKMSFZCI-UHFFFAOYSA-N 1 2 340.343 2.050 20 5 EEBDLO C[N@@H+]1CC[C@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1 ZINC001234753990 1305019940 /nfs/dbraw/zinc/01/99/40/1305019940.db2.gz SEPCZNDLJFREJM-JTQLQIEISA-N 1 2 343.335 2.146 20 5 EEBDLO C[N@H+]1CC[C@H](Oc2c(O)ccc3c(=O)c4c(O)cc(O)cc4oc32)C1 ZINC001234753990 1305019946 /nfs/dbraw/zinc/01/99/46/1305019946.db2.gz SEPCZNDLJFREJM-JTQLQIEISA-N 1 2 343.335 2.146 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001115865939 1305839863 /nfs/dbraw/zinc/83/98/63/1305839863.db2.gz HNDHZTBXEWSROQ-UHFFFAOYSA-N 1 2 341.433 2.008 20 5 EEBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC001116793082 1305919043 /nfs/dbraw/zinc/91/90/43/1305919043.db2.gz MLXUIMHSXKFDEG-UHFFFAOYSA-N 1 2 343.412 2.458 20 5 EEBDLO O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCSCC3)nc[nH+]1)C2 ZINC001116793082 1305919045 /nfs/dbraw/zinc/91/90/45/1305919045.db2.gz MLXUIMHSXKFDEG-UHFFFAOYSA-N 1 2 343.412 2.458 20 5 EEBDLO CCN(CCn1cc[nH+]c1)c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001157459933 1318651759 /nfs/dbraw/zinc/65/17/59/1318651759.db2.gz NSTHUIRLZXFLFI-UHFFFAOYSA-N 1 2 331.163 2.415 20 5 EEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001308112761 1331566207 /nfs/dbraw/zinc/56/62/07/1331566207.db2.gz LCTHYBZZISZSEL-STQMWFEESA-N 1 2 341.371 2.201 20 5 EEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](c2cnccn2)C1 ZINC001308112761 1331566212 /nfs/dbraw/zinc/56/62/12/1331566212.db2.gz LCTHYBZZISZSEL-STQMWFEESA-N 1 2 341.371 2.201 20 5 EEBDLO O=c1[nH]nc(Cl)cc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001329672783 1334694348 /nfs/dbraw/zinc/69/43/48/1334694348.db2.gz OMEHTJMMHQESNS-UHFFFAOYSA-N 1 2 349.778 2.066 20 5 EEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000859796464 1369444959 /nfs/dbraw/zinc/44/49/59/1369444959.db2.gz GXRUEHRKRKBEPL-KRWDZBQOSA-N 1 2 340.383 2.354 20 5 EEBDLO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000859796464 1369444969 /nfs/dbraw/zinc/44/49/69/1369444969.db2.gz GXRUEHRKRKBEPL-KRWDZBQOSA-N 1 2 340.383 2.354 20 5 EEBDLO O[C@@H]1CC[N@H+](Cc2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001211789200 780891558 /nfs/dbraw/zinc/89/15/58/780891558.db2.gz JKBYNRSOWKQSNU-CQSZACIVSA-N 1 2 347.378 2.400 20 5 EEBDLO O[C@@H]1CC[N@@H+](Cc2nc(-c3ccc4ccc5cccnc5c4n3)no2)C1 ZINC001211789200 780891563 /nfs/dbraw/zinc/89/15/63/780891563.db2.gz JKBYNRSOWKQSNU-CQSZACIVSA-N 1 2 347.378 2.400 20 5 EEBDLO O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](Nc2ccccc2[N+](=O)[O-])CC1 ZINC001063382418 790870938 /nfs/dbraw/zinc/87/09/38/790870938.db2.gz ZSQLGJKBCQGBFT-JOCQHMNTSA-N 1 2 343.387 2.400 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107566430 787671459 /nfs/dbraw/zinc/67/14/59/787671459.db2.gz RTCNUPLHCWWTJW-UPHRSURJSA-N 1 2 329.360 2.035 20 5 EEBDLO O=C(CCc1c[nH+]c[nH]1)NC/C=C\CNc1ccc([N+](=O)[O-])cc1 ZINC001107566430 787671461 /nfs/dbraw/zinc/67/14/61/787671461.db2.gz RTCNUPLHCWWTJW-UPHRSURJSA-N 1 2 329.360 2.035 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107566429 787671499 /nfs/dbraw/zinc/67/14/99/787671499.db2.gz RTCNUPLHCWWTJW-OWOJBTEDSA-N 1 2 329.360 2.035 20 5 EEBDLO O=C(CCc1c[nH+]c[nH]1)NC/C=C/CNc1ccc([N+](=O)[O-])cc1 ZINC001107566429 787671505 /nfs/dbraw/zinc/67/15/05/787671505.db2.gz RTCNUPLHCWWTJW-OWOJBTEDSA-N 1 2 329.360 2.035 20 5 EEBDLO Cc1c(C)c(C)c(C[NH+]2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)c1C ZINC001030292289 789980814 /nfs/dbraw/zinc/98/08/14/789980814.db2.gz BBKMUSMFVYILDP-SJLPKXTDSA-N 1 2 345.443 2.194 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2c(C)cc(C)[nH+]c2C)n1 ZINC001094292672 796094708 /nfs/dbraw/zinc/09/47/08/796094708.db2.gz ZDWWVXWLWUCJIO-UHFFFAOYSA-N 1 2 343.387 2.460 20 5 EEBDLO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1Oc2ccc(CCO)cc2O1 ZINC001173218416 797299377 /nfs/dbraw/zinc/29/93/77/797299377.db2.gz ASUXYZBYNIBUIP-SGTLLEGYSA-N 1 2 344.367 2.405 20 5 EEBDLO COc1ccc(C[C@H](C)[NH+]2CCN(CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC001170350647 809919781 /nfs/dbraw/zinc/91/97/81/809919781.db2.gz BUHRUNCKCPOQJE-LBPRGKRZSA-N 1 2 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EEBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761507892 577685115 /nfs/dbraw/zinc/68/51/15/577685115.db2.gz ZQILICZPAARBER-LBPRGKRZSA-N 1 2 338.795 2.238 20 5 EEBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761507892 577685116 /nfs/dbraw/zinc/68/51/16/577685116.db2.gz ZQILICZPAARBER-LBPRGKRZSA-N 1 2 338.795 2.238 20 5 EEBDLO C[C@@H]1[N@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1(C)C ZINC000763212148 577716958 /nfs/dbraw/zinc/71/69/58/577716958.db2.gz NIAFFUZZSRFKBK-LBPRGKRZSA-N 1 2 331.376 2.310 20 5 EEBDLO C[C@@H]1[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1(C)C ZINC000763212148 577716959 /nfs/dbraw/zinc/71/69/59/577716959.db2.gz NIAFFUZZSRFKBK-LBPRGKRZSA-N 1 2 331.376 2.310 20 5 EEBDLO CCOC(=O)c1cc([N+](=O)[O-])c(NCCc2cn(C)c[nH+]2)cc1C ZINC000894152236 681791093 /nfs/dbraw/zinc/79/10/93/681791093.db2.gz ZIYYSYYWEFEZAO-UHFFFAOYSA-N 1 2 332.360 2.468 20 5 EEBDLO CC[C@H](C[NH+]1CCOCC1)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000928636180 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SIPVMLBMRIBZAI-YPMHNXCESA-N 1 2 337.376 2.041 20 5 EEBDLO Cc1ccc(N[C@H]2C[C@@H](NC(=O)CCn3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC001097235921 1243863235 /nfs/dbraw/zinc/86/32/35/1243863235.db2.gz JZCARXKCSYHAQJ-OKILXGFUSA-N 1 2 343.387 2.249 20 5 EEBDLO O=C(CCc1[nH]cc[nH+]1)NCCN(c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001101331765 1245671553 /nfs/dbraw/zinc/67/15/53/1245671553.db2.gz HIEQYBSKCSAHSU-UHFFFAOYSA-N 1 2 343.387 2.036 20 5 EEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000852131539 1292004584 /nfs/dbraw/zinc/00/45/84/1292004584.db2.gz XEZVLRKCEUGFKM-GFCCVEGCSA-N 1 2 331.351 2.407 20 5 EEBDLO COC(=O)CCCCOC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000859664120 1294584540 /nfs/dbraw/zinc/58/45/40/1294584540.db2.gz ZEWKDSLLZBTJSM-UHFFFAOYSA-N 1 2 347.327 2.281 20 5 EEBDLO CCCSc1nc(O[C@H]2CC[NH2+]CC[C@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218029818 1297550679 /nfs/dbraw/zinc/55/06/79/1297550679.db2.gz NKIPVEGFUZOCPU-ZJUUUORDSA-N 1 2 342.421 2.359 20 5 EEBDLO 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Cc1cc(C)c(C(=O)NCCNc2ncccc2[N+](=O)[O-])c(C)[nH+]1 ZINC001094291127 796093565 /nfs/dbraw/zinc/09/35/65/796093565.db2.gz CDRHSVUGMGWWHO-UHFFFAOYSA-N 1 2 329.360 2.152 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001109490606 805549112 /nfs/dbraw/zinc/54/91/12/805549112.db2.gz DRNFKBQQKDUNMP-UHFFFAOYSA-N 1 2 331.376 2.129 20 5 EEBDLO Cc1cc(N)nc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000022089376 212277317 /nfs/dbraw/zinc/27/73/17/212277317.db2.gz BYEPKCZRRJDIPF-VIFPVBQESA-N 1 2 333.373 2.395 20 5 EEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428345594 241566129 /nfs/dbraw/zinc/56/61/29/241566129.db2.gz JIYXPMYQTTXULM-NSHDSACASA-N 1 2 334.763 2.118 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc4c3OCO4)nc2c1 ZINC000446858134 242226233 /nfs/dbraw/zinc/22/62/33/242226233.db2.gz YVXCBUDNSZWGJI-UHFFFAOYSA-N 1 2 326.312 2.490 20 5 EEBDLO COc1cc(NCc2ccc[nH+]c2N2CCOCC2)ccc1[N+](=O)[O-] ZINC000266163166 248141354 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Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343338006 161126164 /nfs/dbraw/zinc/12/61/64/161126164.db2.gz QNMGVXHTWDENLQ-UHFFFAOYSA-N 1 2 338.327 2.069 20 5 EEBDLO C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000343498210 161141662 /nfs/dbraw/zinc/14/16/62/161141662.db2.gz KYSGYXGHDFKSBU-XJKSGUPXSA-N 1 2 340.383 2.379 20 5 EEBDLO C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000344131013 161201042 /nfs/dbraw/zinc/20/10/42/161201042.db2.gz NBQLBDACIXXXOL-GHMZBOCLSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@@H]1C[C@H](CO)CC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000344131013 161201043 /nfs/dbraw/zinc/20/10/43/161201043.db2.gz NBQLBDACIXXXOL-GHMZBOCLSA-N 1 2 341.795 2.280 20 5 EEBDLO COCCCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000344140028 161201417 /nfs/dbraw/zinc/20/14/17/161201417.db2.gz RIBXRESJQPBAFJ-UHFFFAOYSA-N 1 2 341.433 2.231 20 5 EEBDLO O=C(C[N@@H+]1CCC[C@H](OCC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000368800877 166130067 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O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1 ZINC000126047649 304804443 /nfs/dbraw/zinc/80/44/43/304804443.db2.gz MBCHCRFHEIKKNN-CYBMUJFWSA-N 1 2 336.373 2.234 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000421764434 314158971 /nfs/dbraw/zinc/15/89/71/314158971.db2.gz VEOQGDZKEUKMOG-ZIAGYGMSSA-N 1 2 335.404 2.051 20 5 EEBDLO CCC[N@H+](CC(N)=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425452173 314398357 /nfs/dbraw/zinc/39/83/57/314398357.db2.gz YRAFGBSPZTVFDJ-UHFFFAOYSA-N 1 2 330.182 2.055 20 5 EEBDLO CCC[N@@H+](CC(N)=O)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425452173 314398362 /nfs/dbraw/zinc/39/83/62/314398362.db2.gz YRAFGBSPZTVFDJ-UHFFFAOYSA-N 1 2 330.182 2.055 20 5 EEBDLO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1O)CCC(F)(F)F ZINC000436812285 315000708 /nfs/dbraw/zinc/00/07/08/315000708.db2.gz LLJCZRIBBKQJSY-UHFFFAOYSA-N 1 2 349.309 2.305 20 5 EEBDLO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1O)CCC(F)(F)F ZINC000436812285 315000709 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ZINC000296370641 465174104 /nfs/dbraw/zinc/17/41/04/465174104.db2.gz RNGMMPXXEGCGNA-GFCCVEGCSA-N 1 2 339.417 2.369 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000296370641 465174110 /nfs/dbraw/zinc/17/41/10/465174110.db2.gz RNGMMPXXEGCGNA-GFCCVEGCSA-N 1 2 339.417 2.369 20 5 EEBDLO Cc1ccc(NCCCNC(=O)CCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000351498865 465186539 /nfs/dbraw/zinc/18/65/39/465186539.db2.gz WJVUNWSUFUAXSO-UHFFFAOYSA-N 1 2 331.376 2.108 20 5 EEBDLO CCn1ccnc1[C@H](C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590661017 468297506 /nfs/dbraw/zinc/29/75/06/468297506.db2.gz ZWTNWABMUNJISW-NSHDSACASA-N 1 2 332.360 2.433 20 5 EEBDLO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)CS(=O)(=O)CC ZINC000112998731 462562289 /nfs/dbraw/zinc/56/22/89/462562289.db2.gz WONNFKGRUNIEFC-CYBMUJFWSA-N 1 2 344.433 2.119 20 5 EEBDLO CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)CS(=O)(=O)CC ZINC000112998731 462562294 /nfs/dbraw/zinc/56/22/94/462562294.db2.gz 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CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072980255 463568242 /nfs/dbraw/zinc/56/82/42/463568242.db2.gz YOLVZFJTFFVORS-MRXNPFEDSA-N 1 2 347.415 2.231 20 5 EEBDLO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000279204172 464062307 /nfs/dbraw/zinc/06/23/07/464062307.db2.gz LMZDXUYBFSBOJJ-GFCCVEGCSA-N 1 2 333.323 2.407 20 5 EEBDLO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC(n2cc[nH+]c2)C1 ZINC000523689491 468400727 /nfs/dbraw/zinc/40/07/27/468400727.db2.gz VAXKUBKMULEVCC-UHFFFAOYSA-N 1 2 327.344 2.063 20 5 EEBDLO CCn1cnc2c(c1=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000280920067 464274832 /nfs/dbraw/zinc/27/48/32/464274832.db2.gz GFIZZVIYGXPMGJ-UHFFFAOYSA-N 1 2 328.372 2.038 20 5 EEBDLO CCn1cnc2c(c1=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C2 ZINC000280920067 464274836 /nfs/dbraw/zinc/27/48/36/464274836.db2.gz GFIZZVIYGXPMGJ-UHFFFAOYSA-N 1 2 328.372 2.038 20 5 EEBDLO Cc1cccn2cc(CNC(=O)c3c(N)cccc3[N+](=O)[O-])[nH+]c12 ZINC000180764574 464390066 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COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccon2)c([N+](=O)[O-])c1 ZINC000349254510 466039259 /nfs/dbraw/zinc/03/92/59/466039259.db2.gz YODHJAYUGPJFOE-UWVGGRQHSA-N 1 2 334.332 2.269 20 5 EEBDLO Cn1ccnc1[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353677347 466059595 /nfs/dbraw/zinc/05/95/95/466059595.db2.gz YGDLSSBIDBXVCD-RRFJBIMHSA-N 1 2 330.388 2.167 20 5 EEBDLO O=[N+]([O-])c1cnc(N2CCC([C@H](O)c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000302742031 466174833 /nfs/dbraw/zinc/17/48/33/466174833.db2.gz DERPMMIFOIYCME-LBPRGKRZSA-N 1 2 337.767 2.316 20 5 EEBDLO O=[N+]([O-])c1cncc(Br)c1NCCNc1cccc[nH+]1 ZINC000346851250 466199926 /nfs/dbraw/zinc/19/99/26/466199926.db2.gz OOYHTOWEWQJGEV-UHFFFAOYSA-N 1 2 338.165 2.093 20 5 EEBDLO COC(=O)C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000353872958 466219455 /nfs/dbraw/zinc/21/94/55/466219455.db2.gz GIZQJXCOQCYKJV-LLVKDONJSA-N 1 2 325.340 2.031 20 5 EEBDLO COC(=O)C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000353872958 466219465 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341.795 2.280 20 5 EEBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000365971838 467007067 /nfs/dbraw/zinc/00/70/67/467007067.db2.gz NVNPPVJWOXHOPF-UHFFFAOYSA-N 1 2 341.302 2.245 20 5 EEBDLO C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CS1 ZINC000412574735 467098465 /nfs/dbraw/zinc/09/84/65/467098465.db2.gz OKXCALVDZVNPFC-ZYHUDNBSSA-N 1 2 332.385 2.404 20 5 EEBDLO Cn1cc(Br)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000393367493 467430684 /nfs/dbraw/zinc/43/06/84/467430684.db2.gz HMYDHKKLQMCZTE-UHFFFAOYSA-N 1 2 325.166 2.381 20 5 EEBDLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1ccc([N+](=O)[O-])cc1O ZINC000436697781 467550833 /nfs/dbraw/zinc/55/08/33/467550833.db2.gz NPSDWYFYCMYFLS-UHFFFAOYSA-N 1 2 339.311 2.193 20 5 EEBDLO CSc1ccc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cc1[N+](=O)[O-] ZINC000449653609 467678447 /nfs/dbraw/zinc/67/84/47/467678447.db2.gz SKGLWXJLMSZTCC-JTQLQIEISA-N 1 2 345.371 2.291 20 5 EEBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000492855832 467773847 /nfs/dbraw/zinc/77/38/47/467773847.db2.gz HNEGEFIVWMWOIJ-KJPDOMRESA-N 1 2 338.367 2.176 20 5 EEBDLO C[C@]1(CO)CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450121028 467781140 /nfs/dbraw/zinc/78/11/40/467781140.db2.gz UEFBXCAMCBKENK-NVXWUHKLSA-N 1 2 344.371 2.061 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCOCC12CCC2 ZINC000450304244 467821551 /nfs/dbraw/zinc/82/15/51/467821551.db2.gz PVBHAVSOHAXNMB-UHFFFAOYSA-N 1 2 342.355 2.176 20 5 EEBDLO CCC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOCC1 ZINC000450465459 467855351 /nfs/dbraw/zinc/85/53/51/467855351.db2.gz CPDBNDGJHUIXIS-UHFFFAOYSA-N 1 2 344.371 2.470 20 5 EEBDLO CCC(O)(CC)CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600768237 468652062 /nfs/dbraw/zinc/65/20/62/468652062.db2.gz UXJDOBAQHRYKOG-UHFFFAOYSA-N 1 2 346.387 2.404 20 5 EEBDLO COC(=O)COc1ccc([C@H](C)[NH2+]Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000595439581 468853277 /nfs/dbraw/zinc/85/32/77/468853277.db2.gz HRENSWIEXGAING-JTQLQIEISA-N 1 2 349.343 2.294 20 5 EEBDLO C[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C ZINC000598466059 468874542 /nfs/dbraw/zinc/87/45/42/468874542.db2.gz WIHIFCSQXZGHEM-NSHDSACASA-N 1 2 330.344 2.169 20 5 EEBDLO COC(=O)c1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000584473165 468880900 /nfs/dbraw/zinc/88/09/00/468880900.db2.gz RZCIFVHSTIMWJL-JTQLQIEISA-N 1 2 332.316 2.168 20 5 EEBDLO COC(=O)c1cc(NC(=O)C[C@@H](C)n2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000584473166 468881032 /nfs/dbraw/zinc/88/10/32/468881032.db2.gz RZCIFVHSTIMWJL-SNVBAGLBSA-N 1 2 332.316 2.168 20 5 EEBDLO O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598508694 468893335 /nfs/dbraw/zinc/89/33/35/468893335.db2.gz HKPSURBCOBLORS-HNNXBMFYSA-N 1 2 341.367 2.305 20 5 EEBDLO O=C(NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598508694 468893339 /nfs/dbraw/zinc/89/33/39/468893339.db2.gz HKPSURBCOBLORS-HNNXBMFYSA-N 1 2 341.367 2.305 20 5 EEBDLO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000598947790 469062819 /nfs/dbraw/zinc/06/28/19/469062819.db2.gz MVCOBBPBLVRZMM-LLVKDONJSA-N 1 2 332.385 2.015 20 5 EEBDLO COc1ccc(NC(=O)C[NH+]2CCC(SC)CC2)c([N+](=O)[O-])c1 ZINC000602920108 469165189 /nfs/dbraw/zinc/16/51/89/469165189.db2.gz JYHIISKGHYWFQF-UHFFFAOYSA-N 1 2 339.417 2.369 20 5 EEBDLO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000611140056 469173003 /nfs/dbraw/zinc/17/30/03/469173003.db2.gz QKOXUOZLQQOOTA-GFCCVEGCSA-N 1 2 344.371 2.457 20 5 EEBDLO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000611140056 469173012 /nfs/dbraw/zinc/17/30/12/469173012.db2.gz QKOXUOZLQQOOTA-GFCCVEGCSA-N 1 2 344.371 2.457 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000603814083 469432843 /nfs/dbraw/zinc/43/28/43/469432843.db2.gz SLNUIIJBSQVXBF-UHFFFAOYSA-N 1 2 343.387 2.249 20 5 EEBDLO Cc1[nH+]c2cc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)ccc2n1C ZINC000610310289 470002922 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C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000747529100 577945846 /nfs/dbraw/zinc/94/58/46/577945846.db2.gz GXZGLDPZFLGEGZ-GFCCVEGCSA-N 1 2 349.284 2.329 20 5 EEBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000747529100 577945847 /nfs/dbraw/zinc/94/58/47/577945847.db2.gz GXZGLDPZFLGEGZ-GFCCVEGCSA-N 1 2 349.284 2.329 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)c(F)c1 ZINC000826498079 609342145 /nfs/dbraw/zinc/34/21/45/609342145.db2.gz HGOYASNWAYVMSH-UHFFFAOYSA-N 1 2 346.297 2.343 20 5 EEBDLO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000895960453 684784984 /nfs/dbraw/zinc/78/49/84/684784984.db2.gz SUZQQRVBQBYGLM-UHFFFAOYSA-N 1 2 338.371 2.188 20 5 EEBDLO C[C@@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000865417868 1198207481 /nfs/dbraw/zinc/20/74/81/1198207481.db2.gz DOCJOGGOTMEMEZ-WBMJQRKESA-N 1 2 331.376 2.216 20 5 EEBDLO C[C@H]([NH2+]Cc1cn(C[C@@H]2CCCO2)nn1)c1cccc([N+](=O)[O-])c1 ZINC000865417863 1198207501 /nfs/dbraw/zinc/20/75/01/1198207501.db2.gz DOCJOGGOTMEMEZ-LRDDRELGSA-N 1 2 331.376 2.216 20 5 EEBDLO Cc1cc(NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000930732159 1206578836 /nfs/dbraw/zinc/57/88/36/1206578836.db2.gz APZJSAQDNXPUMY-ZDUSSCGKSA-N 1 2 336.392 2.088 20 5 EEBDLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000934912923 1208057426 /nfs/dbraw/zinc/05/74/26/1208057426.db2.gz QYXDAWAOZHYXAP-JKSUJKDBSA-N 1 2 328.372 2.444 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935088701 1208092163 /nfs/dbraw/zinc/09/21/63/1208092163.db2.gz FQDVGOQNJDLKSS-VNQPRFMTSA-N 1 2 340.383 2.448 20 5 EEBDLO C[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000795409101 1212278804 /nfs/dbraw/zinc/27/88/04/1212278804.db2.gz OXCMNZPGVLPKAK-UHFFFAOYSA-N 1 2 340.177 2.365 20 5 EEBDLO C[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)C1CC1 ZINC000795409101 1212278809 /nfs/dbraw/zinc/27/88/09/1212278809.db2.gz OXCMNZPGVLPKAK-UHFFFAOYSA-N 1 2 340.177 2.365 20 5 EEBDLO CCCCC(=O)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096266535 1236870031 /nfs/dbraw/zinc/87/00/31/1236870031.db2.gz PZMQUCOAILJJBB-UHFFFAOYSA-N 1 2 334.420 2.023 20 5 EEBDLO Cc1ccc(N[C@H]2C[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)c([N+](=O)[O-])c1 ZINC001097109866 1243712334 /nfs/dbraw/zinc/71/23/34/1243712334.db2.gz LIPMHNZAWJZXSW-HDJSIYSDSA-N 1 2 343.387 2.318 20 5 EEBDLO Cc1ccc(N[C@H]2C[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)c([N+](=O)[O-])c1 ZINC001097109866 1243712337 /nfs/dbraw/zinc/71/23/37/1243712337.db2.gz LIPMHNZAWJZXSW-HDJSIYSDSA-N 1 2 343.387 2.318 20 5 EEBDLO COc1cc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000853800174 1292459105 /nfs/dbraw/zinc/45/91/05/1292459105.db2.gz TWFVYIXNYCQBAP-NWDGAFQWSA-N 1 2 339.392 2.133 20 5 EEBDLO COc1cc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000853800174 1292459108 /nfs/dbraw/zinc/45/91/08/1292459108.db2.gz TWFVYIXNYCQBAP-NWDGAFQWSA-N 1 2 339.392 2.133 20 5 EEBDLO Cn1nccc1[C@H](O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000856801892 1293639338 /nfs/dbraw/zinc/63/93/38/1293639338.db2.gz ZPBWVJRJHJMLOJ-OAHLLOKOSA-N 1 2 336.417 2.335 20 5 EEBDLO CCOC(=O)C[C@H](C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000861266544 1295313999 /nfs/dbraw/zinc/31/39/99/1295313999.db2.gz XWYVIJPCEJPODL-NSHDSACASA-N 1 2 347.327 2.279 20 5 EEBDLO C[C@]([NH3+])(c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)c1ccccc1 ZINC001211445293 1295901828 /nfs/dbraw/zinc/90/18/28/1295901828.db2.gz UKFOTDSBXYENSO-OAHLLOKOSA-N 1 2 329.291 2.401 20 5 EEBDLO O=[N+]([O-])c1cnn(CN2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000014188653 1295906117 /nfs/dbraw/zinc/90/61/17/1295906117.db2.gz QNEYHGYTMLQFIR-UHFFFAOYSA-N 1 2 335.795 2.220 20 5 EEBDLO O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1OC1CC[NH+](CCF)CC1 ZINC001225888767 1301188974 /nfs/dbraw/zinc/18/89/74/1301188974.db2.gz GAQHXXZJDPIHTH-UHFFFAOYSA-N 1 2 331.275 2.455 20 5 EEBDLO C[C@@H](Oc1ncncc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001228655019 1302362514 /nfs/dbraw/zinc/36/25/14/1302362514.db2.gz ORFLWOAMONKRQD-CJNGLKHVSA-N 1 2 344.371 2.053 20 5 EEBDLO C[C@@H](Oc1ncncc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228655019 1302362525 /nfs/dbraw/zinc/36/25/25/1302362525.db2.gz ORFLWOAMONKRQD-CJNGLKHVSA-N 1 2 344.371 2.053 20 5 EEBDLO O=C(Cc1[nH]cc[nH+]1)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CCC1 ZINC001111840150 1303978256 /nfs/dbraw/zinc/97/82/56/1303978256.db2.gz QYQJUFPDRKXFQO-UHFFFAOYSA-N 1 2 347.350 2.151 20 5 EEBDLO COc1ccc(C[C@@H](C)[N@@H+]2CCN[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001246992333 1310496637 /nfs/dbraw/zinc/49/66/37/1310496637.db2.gz QELJHRHNDSBPEW-QMTHXVAHSA-N 1 2 347.337 2.371 20 5 EEBDLO COc1ccc(C[C@@H](C)[N@H+]2CCN[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001246992333 1310496651 /nfs/dbraw/zinc/49/66/51/1310496651.db2.gz QELJHRHNDSBPEW-QMTHXVAHSA-N 1 2 347.337 2.371 20 5 EEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001254566996 1318124896 /nfs/dbraw/zinc/12/48/96/1318124896.db2.gz VSJGBYNMVRNWMQ-OCCSQVGLSA-N 1 2 326.418 2.035 20 5 EEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001254566996 1318124907 /nfs/dbraw/zinc/12/49/07/1318124907.db2.gz VSJGBYNMVRNWMQ-OCCSQVGLSA-N 1 2 326.418 2.035 20 5 EEBDLO CCN(CCn1cc[nH+]c1)c1nc(Cl)nc(SC)c1[N+](=O)[O-] ZINC001157462731 1318653957 /nfs/dbraw/zinc/65/39/57/1318653957.db2.gz XILBYKTXKVLHNG-UHFFFAOYSA-N 1 2 342.812 2.483 20 5 EEBDLO C[C@H]1C[NH+](CCc2nnc(-c3c(O)cccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC001258147283 1319191528 /nfs/dbraw/zinc/19/15/28/1319191528.db2.gz XUIFYMDPGDLWQQ-QWRGUYRKSA-N 1 2 348.359 2.002 20 5 EEBDLO O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[NH2+]CC(F)(F)C2)c1 ZINC001164502535 1321399599 /nfs/dbraw/zinc/39/95/99/1321399599.db2.gz XAOVXPJHFSGOSS-UHFFFAOYSA-N 1 2 343.721 2.236 20 5 EEBDLO CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001308177755 1331569962 /nfs/dbraw/zinc/56/99/62/1331569962.db2.gz UZCGEYRAIUNFOG-BJJXKVORSA-N 1 2 334.372 2.390 20 5 EEBDLO CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001308177755 1331569966 /nfs/dbraw/zinc/56/99/66/1331569966.db2.gz UZCGEYRAIUNFOG-BJJXKVORSA-N 1 2 334.372 2.390 20 5 EEBDLO COc1cccc2c1CC[C@]2([NH3+])C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001579291415 1344366171 /nfs/dbraw/zinc/36/61/71/1344366171.db2.gz JEOGTGNWAJFADZ-GOSISDBHSA-N 1 2 342.351 2.447 20 5 EEBDLO O=[N+]([O-])c1cnc(N[C@H]2C[NH+]3CCC2CC3)c(Br)c1 ZINC000093433835 1357520508 /nfs/dbraw/zinc/52/05/08/1357520508.db2.gz QVEWWMBJJKGFGM-NSHDSACASA-N 1 2 327.182 2.258 20 5 EEBDLO CC[N@H+](Cc1ccoc1)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604325016 1350916219 /nfs/dbraw/zinc/91/62/19/1350916219.db2.gz MSXSSSAJQYRRNU-UHFFFAOYSA-N 1 2 328.332 2.390 20 5 EEBDLO CC[N@@H+](Cc1ccoc1)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604325016 1350916220 /nfs/dbraw/zinc/91/62/20/1350916220.db2.gz MSXSSSAJQYRRNU-UHFFFAOYSA-N 1 2 328.332 2.390 20 5 EEBDLO CCOC(=O)C1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc2C1 ZINC001168978837 1367726347 /nfs/dbraw/zinc/72/63/47/1367726347.db2.gz UQQMXKPPHSBEHI-CZUORRHYSA-N 1 2 332.400 2.122 20 5 EEBDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852111763 1369250278 /nfs/dbraw/zinc/25/02/78/1369250278.db2.gz JFOZSILUJNRSQH-ZDUSSCGKSA-N 1 2 325.340 2.397 20 5 EEBDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852111763 1369250282 /nfs/dbraw/zinc/25/02/82/1369250282.db2.gz JFOZSILUJNRSQH-ZDUSSCGKSA-N 1 2 325.340 2.397 20 5 EEBDLO CC(C)N(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001125686878 761026597 /nfs/dbraw/zinc/02/65/97/761026597.db2.gz MVNWBZQLJFQOHE-UHFFFAOYSA-N 1 2 345.403 2.234 20 5 EEBDLO O=C(c1ccsn1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000981421658 777361481 /nfs/dbraw/zinc/36/14/81/777361481.db2.gz OSUJWYLNLNHKSZ-UHFFFAOYSA-N 1 2 346.412 2.399 20 5 EEBDLO O=C(c1ccsn1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000981421658 777361487 /nfs/dbraw/zinc/36/14/87/777361487.db2.gz OSUJWYLNLNHKSZ-UHFFFAOYSA-N 1 2 346.412 2.399 20 5 EEBDLO COCC1CC(OC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000893643254 778157302 /nfs/dbraw/zinc/15/73/02/778157302.db2.gz NCFPDDJALHRWNX-UHFFFAOYSA-N 1 2 331.328 2.362 20 5 EEBDLO C[C@H]1C[N@H+](CCOC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000924241613 779410901 /nfs/dbraw/zinc/41/09/01/779410901.db2.gz ZURMKDKYFUNPEU-NSHDSACASA-N 1 2 342.779 2.055 20 5 EEBDLO C[C@H]1C[N@@H+](CCOC(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCO1 ZINC000924241613 779410903 /nfs/dbraw/zinc/41/09/03/779410903.db2.gz ZURMKDKYFUNPEU-NSHDSACASA-N 1 2 342.779 2.055 20 5 EEBDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028482 786399713 /nfs/dbraw/zinc/39/97/13/786399713.db2.gz SKDCFSWRFBJNCN-YYIAUSFCSA-N 1 2 346.383 2.105 20 5 EEBDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000910028482 786399717 /nfs/dbraw/zinc/39/97/17/786399717.db2.gz SKDCFSWRFBJNCN-YYIAUSFCSA-N 1 2 346.383 2.105 20 5 EEBDLO O=C(CCCn1cc[nH+]c1)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107237493 786588597 /nfs/dbraw/zinc/58/85/97/786588597.db2.gz MRFYFXSDUZAYNW-ARJAWSKDSA-N 1 2 343.387 2.356 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)NCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094856289 796805353 /nfs/dbraw/zinc/80/53/53/796805353.db2.gz VZSIKCQYRBCPJL-UHFFFAOYSA-N 1 2 335.339 2.008 20 5 EEBDLO O=C(CCc1c[nH+]c[nH]1)NCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001094856289 796805358 /nfs/dbraw/zinc/80/53/58/796805358.db2.gz VZSIKCQYRBCPJL-UHFFFAOYSA-N 1 2 335.339 2.008 20 5 EEBDLO CC(C)(F)C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001002227387 797747918 /nfs/dbraw/zinc/74/79/18/797747918.db2.gz ICEXLNNLVBKFRX-UHFFFAOYSA-N 1 2 329.397 2.485 20 5 EEBDLO O=C(Cc1c[nH]c[nH+]1)NCCC1(CNc2ccccc2[N+](=O)[O-])CC1 ZINC001090002833 799635382 /nfs/dbraw/zinc/63/53/82/799635382.db2.gz DQSKETKLRWINKB-UHFFFAOYSA-N 1 2 343.387 2.259 20 5 EEBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(n2cc([C@@H](C)O)nn2)C1 ZINC000787413269 807106893 /nfs/dbraw/zinc/10/68/93/807106893.db2.gz OAXPNJVGRSEZOG-MVXISAMASA-N 1 2 343.387 2.200 20 5 EEBDLO CN(CC(C)(C)CNc1ccc([N+](=O)[O-])cc1)C(=O)Cn1cc[nH+]c1 ZINC001113429535 808957365 /nfs/dbraw/zinc/95/73/65/808957365.db2.gz HQWVGUQMCAMMDB-UHFFFAOYSA-N 1 2 345.403 2.388 20 5 EEBDLO CN(CC(C)(C)CNc1ccc([N+](=O)[O-])cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001113460950 809021462 /nfs/dbraw/zinc/02/14/62/809021462.db2.gz MXAXIHIBHHBFTG-UHFFFAOYSA-N 1 2 345.403 2.457 20 5 EEBDLO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC(F)(F)F ZINC000427245961 241397220 /nfs/dbraw/zinc/39/72/20/241397220.db2.gz LFTYJFJLLWKTIT-UHFFFAOYSA-N 1 2 349.309 2.305 20 5 EEBDLO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC(F)(F)F ZINC000427245961 241397223 /nfs/dbraw/zinc/39/72/23/241397223.db2.gz LFTYJFJLLWKTIT-UHFFFAOYSA-N 1 2 349.309 2.305 20 5 EEBDLO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459639451 245195970 /nfs/dbraw/zinc/19/59/70/245195970.db2.gz VWEXGFGIXOTFHG-VIFPVBQESA-N 1 2 346.412 2.490 20 5 EEBDLO Cc1c(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000459789727 245248267 /nfs/dbraw/zinc/24/82/67/245248267.db2.gz LYLSLJWVKMICPO-NEPJUHHUSA-N 1 2 331.376 2.315 20 5 EEBDLO CCc1cc(NC[C@H](O)COC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000265468953 247531050 /nfs/dbraw/zinc/53/10/50/247531050.db2.gz OVVPWPWYDBRVSY-AWEZNQCLSA-N 1 2 332.360 2.033 20 5 EEBDLO CCOc1cc(N2CCN(Cc3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000267259191 256042939 /nfs/dbraw/zinc/04/29/39/256042939.db2.gz WLKJIDXKEBLXHE-UHFFFAOYSA-N 1 2 331.376 2.039 20 5 EEBDLO CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000267807422 256088769 /nfs/dbraw/zinc/08/87/69/256088769.db2.gz MFWHYDKHKQCTLJ-KOLCDFICSA-N 1 2 327.768 2.296 20 5 EEBDLO CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000267807422 256088770 /nfs/dbraw/zinc/08/87/70/256088770.db2.gz MFWHYDKHKQCTLJ-KOLCDFICSA-N 1 2 327.768 2.296 20 5 EEBDLO Cc1cc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000268037946 256106995 /nfs/dbraw/zinc/10/69/95/256106995.db2.gz MYFDADGRYLFLDB-OAHLLOKOSA-N 1 2 346.431 2.036 20 5 EEBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000270565689 256149301 /nfs/dbraw/zinc/14/93/01/256149301.db2.gz UMIWOAQHUMMTSS-UHFFFAOYSA-N 1 2 343.387 2.381 20 5 EEBDLO C[C@@H]1CC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000130630259 292376471 /nfs/dbraw/zinc/37/64/71/292376471.db2.gz GBVBZPRVLWNFOU-VXGBXAGGSA-N 1 2 344.371 2.466 20 5 EEBDLO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC(=O)N(C)C1=O ZINC000338320319 160741542 /nfs/dbraw/zinc/74/15/42/160741542.db2.gz KLJKNCYANSAIQO-CYBMUJFWSA-N 1 2 339.779 2.218 20 5 EEBDLO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC(=O)N(C)C1=O ZINC000338320319 160741544 /nfs/dbraw/zinc/74/15/44/160741544.db2.gz KLJKNCYANSAIQO-CYBMUJFWSA-N 1 2 339.779 2.218 20 5 EEBDLO C[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000340856222 160958903 /nfs/dbraw/zinc/95/89/03/160958903.db2.gz OWIPSTYGJDEQHX-UHFFFAOYSA-N 1 2 343.339 2.394 20 5 EEBDLO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1[N+](=O)[O-] ZINC000340856222 160958904 /nfs/dbraw/zinc/95/89/04/160958904.db2.gz OWIPSTYGJDEQHX-UHFFFAOYSA-N 1 2 343.339 2.394 20 5 EEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000345493734 161305982 /nfs/dbraw/zinc/30/59/82/161305982.db2.gz XEGVGLAZQABWKH-LLVKDONJSA-N 1 2 325.328 2.158 20 5 EEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000352381760 162113838 /nfs/dbraw/zinc/11/38/38/162113838.db2.gz HASCEGWULAXUGU-UHFFFAOYSA-N 1 2 340.343 2.314 20 5 EEBDLO NC(=O)c1cccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352677189 162240265 /nfs/dbraw/zinc/24/02/65/162240265.db2.gz JRUJRIVBACIRQB-UHFFFAOYSA-N 1 2 327.340 2.088 20 5 EEBDLO NC(=O)c1cccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)c1 ZINC000352677189 162240269 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LUYMVQSHVCTMSC-UHFFFAOYSA-N 1 2 332.360 2.325 20 5 EEBDLO Cc1noc(C)c1C[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881799173 1201761399 /nfs/dbraw/zinc/76/13/99/1201761399.db2.gz AYOAEBOAQRODQR-UHFFFAOYSA-N 1 2 335.339 2.056 20 5 EEBDLO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000886173230 1202479393 /nfs/dbraw/zinc/47/93/93/1202479393.db2.gz JMOPBBJRAQANNN-DGCLKSJQSA-N 1 2 336.392 2.335 20 5 EEBDLO C[C@@H]1C[N@@H+](Cc2cccnc2[N+](=O)[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000886173230 1202479394 /nfs/dbraw/zinc/47/93/94/1202479394.db2.gz JMOPBBJRAQANNN-DGCLKSJQSA-N 1 2 336.392 2.335 20 5 EEBDLO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886204899 1202480525 /nfs/dbraw/zinc/48/05/25/1202480525.db2.gz TUEOELCLSNKFGT-CQSZACIVSA-N 1 2 336.392 2.433 20 5 EEBDLO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886204899 1202480526 /nfs/dbraw/zinc/48/05/26/1202480526.db2.gz TUEOELCLSNKFGT-CQSZACIVSA-N 1 2 336.392 2.433 20 5 EEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000928634340 1206404140 /nfs/dbraw/zinc/40/41/40/1206404140.db2.gz IWDREFXSKGPVTE-AWEZNQCLSA-N 1 2 335.404 2.052 20 5 EEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000928636179 1206404490 /nfs/dbraw/zinc/40/44/90/1206404490.db2.gz XHICXNOYIXCBCH-AWEZNQCLSA-N 1 2 335.404 2.052 20 5 EEBDLO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000931767750 1207459061 /nfs/dbraw/zinc/45/90/61/1207459061.db2.gz VHUAGSKIFVODGC-IAGOWNOFSA-N 1 2 339.351 2.383 20 5 EEBDLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000934912921 1208057228 /nfs/dbraw/zinc/05/72/28/1208057228.db2.gz QYXDAWAOZHYXAP-HZPDHXFCSA-N 1 2 328.372 2.444 20 5 EEBDLO Cc1nn(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000795646506 1214578775 /nfs/dbraw/zinc/57/87/75/1214578775.db2.gz YRHWRERGGXZXTH-UHFFFAOYSA-N 1 2 333.348 2.448 20 5 EEBDLO Cc1nn(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000795646506 1214578781 /nfs/dbraw/zinc/57/87/81/1214578781.db2.gz YRHWRERGGXZXTH-UHFFFAOYSA-N 1 2 333.348 2.448 20 5 EEBDLO Cc1cc(N[C@H]2C[C@H](NC(=O)CCn3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC001097085115 1243683166 /nfs/dbraw/zinc/68/31/66/1243683166.db2.gz ZNWAJUGDGSTXLP-SHTZXODSSA-N 1 2 343.387 2.249 20 5 EEBDLO CCCN(CCNC(=O)Cn1cc[nH+]c1)c1ccc(C)cc1[N+](=O)[O-] ZINC001101156053 1245461230 /nfs/dbraw/zinc/46/12/30/1245461230.db2.gz WCDLNXAJLQVCCD-UHFFFAOYSA-N 1 2 345.403 2.133 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCC[N@@H+](C)C4)c3nc2cc1C ZINC001228686321 1302380499 /nfs/dbraw/zinc/38/04/99/1302380499.db2.gz NLCXDMJTRNYVDZ-GFCCVEGCSA-N 1 2 339.399 2.368 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCC[N@H+](C)C4)c3nc2cc1C ZINC001228686321 1302380509 /nfs/dbraw/zinc/38/05/09/1302380509.db2.gz NLCXDMJTRNYVDZ-GFCCVEGCSA-N 1 2 339.399 2.368 20 5 EEBDLO O=C1N[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC[C@@H]2CO1 ZINC000843434538 1315914977 /nfs/dbraw/zinc/91/49/77/1315914977.db2.gz ZZPXYPCNAOZJEJ-PWSUYJOCSA-N 1 2 325.752 2.179 20 5 EEBDLO O=C1N[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)CC[C@@H]2CO1 ZINC000843434538 1315914979 /nfs/dbraw/zinc/91/49/79/1315914979.db2.gz ZZPXYPCNAOZJEJ-PWSUYJOCSA-N 1 2 325.752 2.179 20 5 EEBDLO COCc1cnc2n1CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)[C@@H]2C ZINC001254597522 1318138758 /nfs/dbraw/zinc/13/87/58/1318138758.db2.gz SVBCMDCGVGSZQS-WBMJQRKESA-N 1 2 342.399 2.482 20 5 EEBDLO COCc1cnc2n1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)[C@@H]2C ZINC001254597522 1318138764 /nfs/dbraw/zinc/13/87/64/1318138764.db2.gz SVBCMDCGVGSZQS-WBMJQRKESA-N 1 2 342.399 2.482 20 5 EEBDLO Cc1nc(Cl)nc(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001160720132 1320246176 /nfs/dbraw/zinc/24/61/76/1320246176.db2.gz MNOOFQAPFGSXSZ-QWRGUYRKSA-N 1 2 341.799 2.012 20 5 EEBDLO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1ccns1 ZINC001589967270 1349084843 /nfs/dbraw/zinc/08/48/43/1349084843.db2.gz IXRKYRGEPGQQRS-MRVPVSSYSA-N 1 2 331.361 2.082 20 5 EEBDLO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1NCc1ccn2cc[nH+]c2c1 ZINC001593476136 1349809763 /nfs/dbraw/zinc/80/97/63/1349809763.db2.gz WLBYEAQJAAZUKQ-UHFFFAOYSA-N 1 2 336.315 2.035 20 5 EEBDLO CC1(NC(=O)Cc2[nH]cc[nH+]2)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001110596070 1369125029 /nfs/dbraw/zinc/12/50/29/1369125029.db2.gz SXEPZKFBMYFDHN-UHFFFAOYSA-N 1 2 343.387 2.036 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1c2cc[nH+]cc2C[C@H]1C ZINC000585122513 786529136 /nfs/dbraw/zinc/52/91/36/786529136.db2.gz SSGXUTQRQFBQBX-SNVBAGLBSA-N 1 2 349.368 2.138 20 5 EEBDLO Cc1cc(NCCCN(C)C(=O)Cc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC001109633590 805780952 /nfs/dbraw/zinc/78/09/52/805780952.db2.gz JQONEZYWYJXZIP-UHFFFAOYSA-N 1 2 331.376 2.129 20 5 EEBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc2c[nH+]ccc2[nH]1 ZINC001094236561 796029002 /nfs/dbraw/zinc/02/90/02/796029002.db2.gz VLZXZNRWDVCWDC-UHFFFAOYSA-N 1 2 325.328 2.313 20 5 EEBDLO O=C(NCCCNc1ncccc1[N+](=O)[O-])c1cc2c[nH+]ccc2[nH]1 ZINC001094873546 796878736 /nfs/dbraw/zinc/87/87/36/796878736.db2.gz ZZEDIYXDWIWAQC-UHFFFAOYSA-N 1 2 340.343 2.098 20 5 EEBDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235443 797313451 /nfs/dbraw/zinc/31/34/51/797313451.db2.gz XDVNOIPXCLKBOT-QIJZBDPFSA-N 1 2 348.399 2.178 20 5 EEBDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235443 797313457 /nfs/dbraw/zinc/31/34/57/797313457.db2.gz XDVNOIPXCLKBOT-QIJZBDPFSA-N 1 2 348.399 2.178 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001110194573 798401887 /nfs/dbraw/zinc/40/18/87/798401887.db2.gz QFEPXSVBGYUINC-UHFFFAOYSA-N 1 2 347.350 2.069 20 5 EEBDLO Cc1n[nH]cc1C(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001003405944 799625713 /nfs/dbraw/zinc/62/57/13/799625713.db2.gz JEOHRYDZMHCBRC-UHFFFAOYSA-N 1 2 349.416 2.082 20 5 EEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(n2cc([C@H](C)O)nn2)C1 ZINC000787413273 807106623 /nfs/dbraw/zinc/10/66/23/807106623.db2.gz OAXPNJVGRSEZOG-UWUHSAQLSA-N 1 2 343.387 2.200 20 5 EEBDLO COc1ccc(C[C@H](C)N2CC[NH2+]CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170334656 809899233 /nfs/dbraw/zinc/89/92/33/809899233.db2.gz HJDNIQQCIKJUNV-NSHDSACASA-N 1 2 329.347 2.075 20 5 EEBDLO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000805828995 811576001 /nfs/dbraw/zinc/57/60/01/811576001.db2.gz UWNQCGIKSROJCT-LLVKDONJSA-N 1 2 325.340 2.444 20 5 EEBDLO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000805828995 811576004 /nfs/dbraw/zinc/57/60/04/811576004.db2.gz UWNQCGIKSROJCT-LLVKDONJSA-N 1 2 325.340 2.444 20 5 EEBDLO COC(=O)Cc1ccc(NC[C@@H](C)Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000450261299 242767598 /nfs/dbraw/zinc/76/75/98/242767598.db2.gz NLECXSIKTXNFCX-GFCCVEGCSA-N 1 2 332.360 2.255 20 5 EEBDLO Cc1sc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1[N+](=O)[O-] ZINC000451543457 243150676 /nfs/dbraw/zinc/15/06/76/243150676.db2.gz BVPAXTXPGMQQTA-LLVKDONJSA-N 1 2 344.418 2.363 20 5 EEBDLO CN(C(=O)C[N@H+](C)CCc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000157479305 206138924 /nfs/dbraw/zinc/13/89/24/206138924.db2.gz WHGZRKPJDTYKNY-UHFFFAOYSA-N 1 2 334.401 2.189 20 5 EEBDLO CN(C(=O)C[N@@H+](C)CCc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000157479305 206138929 /nfs/dbraw/zinc/13/89/29/206138929.db2.gz WHGZRKPJDTYKNY-UHFFFAOYSA-N 1 2 334.401 2.189 20 5 EEBDLO CCN1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000359996938 285340056 /nfs/dbraw/zinc/34/00/56/285340056.db2.gz YVFYBKQLMAJWMV-ZDUSSCGKSA-N 1 2 330.392 2.213 20 5 EEBDLO C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000134854018 533277124 /nfs/dbraw/zinc/27/71/24/533277124.db2.gz JCBMWLWCLXUMFN-MNOVXSKESA-N 1 2 341.795 2.087 20 5 EEBDLO CC(C)N(C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C(C)C ZINC000057293286 132199409 /nfs/dbraw/zinc/19/94/09/132199409.db2.gz BPAGNDXOCIOOTF-UHFFFAOYSA-N 1 2 348.447 2.362 20 5 EEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120466463 142389984 /nfs/dbraw/zinc/38/99/84/142389984.db2.gz RNGGGTVQYPKTCZ-CQSZACIVSA-N 1 2 342.355 2.082 20 5 EEBDLO Cc1ccc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000119259738 292243081 /nfs/dbraw/zinc/24/30/81/292243081.db2.gz MAPYLLXNVSXFHZ-LBPRGKRZSA-N 1 2 342.355 2.364 20 5 EEBDLO Cc1cccn2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000110464464 159359874 /nfs/dbraw/zinc/35/98/74/159359874.db2.gz ZALYZKVTHKIXPD-UHFFFAOYSA-N 1 2 346.368 2.029 20 5 EEBDLO C[NH+](C)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000118494221 159366111 /nfs/dbraw/zinc/36/61/11/159366111.db2.gz XJPOYQNACSLIIK-UHFFFAOYSA-N 1 2 345.355 2.493 20 5 EEBDLO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000121029581 159399899 /nfs/dbraw/zinc/39/98/99/159399899.db2.gz AJFPLTJXBFRHMI-INIZCTEOSA-N 1 2 327.340 2.212 20 5 EEBDLO C[C@@H]1c2cccn2CC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194364316 160192422 /nfs/dbraw/zinc/19/24/22/160192422.db2.gz RMUHKYMWHUQLOY-KGLIPLIRSA-N 1 2 331.372 2.213 20 5 EEBDLO C[C@@H]1c2cccn2CC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194364316 160192423 /nfs/dbraw/zinc/19/24/23/160192423.db2.gz RMUHKYMWHUQLOY-KGLIPLIRSA-N 1 2 331.372 2.213 20 5 EEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000344376145 161221713 /nfs/dbraw/zinc/22/17/13/161221713.db2.gz LXNZPQKCEGALFF-HNNXBMFYSA-N 1 2 343.387 2.321 20 5 EEBDLO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccon2)c([N+](=O)[O-])c1 ZINC000349254511 161540124 /nfs/dbraw/zinc/54/01/24/161540124.db2.gz YODHJAYUGPJFOE-VHSXEESVSA-N 1 2 334.332 2.269 20 5 EEBDLO CC[C@@H](C(=O)OC)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000352670837 162238037 /nfs/dbraw/zinc/23/80/37/162238037.db2.gz GWKAHGFIVOLINH-CJNGLKHVSA-N 1 2 335.404 2.225 20 5 EEBDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000353020716 162396432 /nfs/dbraw/zinc/39/64/32/162396432.db2.gz CQTPWDSMKAHSRN-RKDXNWHRSA-N 1 2 335.389 2.433 20 5 EEBDLO COc1c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000355624128 163251873 /nfs/dbraw/zinc/25/18/73/163251873.db2.gz RHJLWEGXOGDSBM-LLVKDONJSA-N 1 2 330.344 2.346 20 5 EEBDLO COCCC(=O)N1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000355773361 163297463 /nfs/dbraw/zinc/29/74/63/163297463.db2.gz RUANKIBDDWCDCL-AWEZNQCLSA-N 1 2 335.404 2.145 20 5 EEBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCn2cc[nH+]c21 ZINC000374410579 167036948 /nfs/dbraw/zinc/03/69/48/167036948.db2.gz HYEUCXYGXYFYSH-PSKZRQQASA-N 1 2 326.356 2.498 20 5 EEBDLO CCc1cc(NC[C@]2(O)CCOC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000269960995 268765447 /nfs/dbraw/zinc/76/54/47/268765447.db2.gz JBFCJOLWKBORRJ-QGZVFWFLSA-N 1 2 344.371 2.178 20 5 EEBDLO COc1cc(F)cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000453575581 274095763 /nfs/dbraw/zinc/09/57/63/274095763.db2.gz KXBOILZZIQANBO-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO C[N@@H+]1CCO[C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000332528641 312020888 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2.076 20 5 EEBDLO Cn1cccc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000440418098 315130400 /nfs/dbraw/zinc/13/04/00/315130400.db2.gz GDBCZSDOPQIUIE-UHFFFAOYSA-N 1 2 325.328 2.049 20 5 EEBDLO C[C@@H](C(=O)N1CC[NH2+][C@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000548885770 318418734 /nfs/dbraw/zinc/41/87/34/318418734.db2.gz SYOREDLWOWROEK-DYVFJYSZSA-N 1 2 340.383 2.266 20 5 EEBDLO C[C@H]1CC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000568025230 319446153 /nfs/dbraw/zinc/44/61/53/319446153.db2.gz HUCPGXKQHNQKRR-RYUDHWBXSA-N 1 2 344.371 2.466 20 5 EEBDLO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccon1 ZINC000610370988 450203111 /nfs/dbraw/zinc/20/31/11/450203111.db2.gz IQSIDSLINLNWCJ-UHFFFAOYSA-N 1 2 346.343 2.065 20 5 EEBDLO O=CN1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000298104938 465304096 /nfs/dbraw/zinc/30/40/96/465304096.db2.gz NSQWQGIRIISMIN-UHFFFAOYSA-N 1 2 331.294 2.278 20 5 EEBDLO O=CN1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 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GMQUKSVBNTUECV-UHFFFAOYSA-N 1 2 349.310 2.211 20 5 EEBDLO O=C(C[N@H+]1CCCC[C@H]1CO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754250136 577803086 /nfs/dbraw/zinc/80/30/86/577803086.db2.gz BDQFHTHLKJPLGS-NSHDSACASA-N 1 2 327.768 2.034 20 5 EEBDLO O=C(C[N@@H+]1CCCC[C@H]1CO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000754250136 577803087 /nfs/dbraw/zinc/80/30/87/577803087.db2.gz BDQFHTHLKJPLGS-NSHDSACASA-N 1 2 327.768 2.034 20 5 EEBDLO Cn1cc(C[NH+]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)cn1 ZINC000746666705 577931990 /nfs/dbraw/zinc/93/19/90/577931990.db2.gz TTYHNSVGXBTOFV-UHFFFAOYSA-N 1 2 349.822 2.300 20 5 EEBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(C)c[nH+]1 ZINC000747617654 577946943 /nfs/dbraw/zinc/94/69/43/577946943.db2.gz TXHUOJVOESULEF-UHFFFAOYSA-N 1 2 330.300 2.497 20 5 EEBDLO C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[N@@H+]1C ZINC000742199180 578129305 /nfs/dbraw/zinc/12/93/05/578129305.db2.gz QEKOKCTXDYWPDO-OAHLLOKOSA-N 1 2 349.434 2.317 20 5 EEBDLO C[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC[N@H+]1C ZINC000742199180 578129306 /nfs/dbraw/zinc/12/93/06/578129306.db2.gz QEKOKCTXDYWPDO-OAHLLOKOSA-N 1 2 349.434 2.317 20 5 EEBDLO Cc1ccc(CCNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c[nH+]1 ZINC000737337669 578251219 /nfs/dbraw/zinc/25/12/19/578251219.db2.gz ODNBSZJJAVIBDO-UHFFFAOYSA-N 1 2 325.332 2.133 20 5 EEBDLO C[C@H](C[NH+]1CCOCC1)OC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000924241293 1205950199 /nfs/dbraw/zinc/95/01/99/1205950199.db2.gz TUFQAPOPRSWBJV-LLVKDONJSA-N 1 2 342.779 2.055 20 5 EEBDLO CCNC(=O)C(C)(C)[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000930685915 1206575803 /nfs/dbraw/zinc/57/58/03/1206575803.db2.gz CQPRWHIYQBCNAD-UHFFFAOYSA-N 1 2 344.209 2.362 20 5 EEBDLO COC1(OC)CCOC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931671199 1207437863 /nfs/dbraw/zinc/43/78/63/1207437863.db2.gz YJBLIUDQCIRNJN-CYBMUJFWSA-N 1 2 330.768 2.116 20 5 EEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccccc2)c1 ZINC000931793252 1207463862 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20 5 EEBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000065610904 462810635 /nfs/dbraw/zinc/81/06/35/462810635.db2.gz KMOQOKXOGXQLTM-GFCCVEGCSA-N 1 2 344.371 2.420 20 5 EEBDLO CN(CCCn1cc[nH+]c1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000155163181 462855032 /nfs/dbraw/zinc/85/50/32/462855032.db2.gz ORNLILHIBNCRNS-UHFFFAOYSA-N 1 2 331.376 2.142 20 5 EEBDLO CCNC(=O)C[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000119346555 462892167 /nfs/dbraw/zinc/89/21/67/462892167.db2.gz VYUUSNIBTBOQET-UHFFFAOYSA-N 1 2 331.319 2.154 20 5 EEBDLO CCNC(=O)C[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000119346555 462892172 /nfs/dbraw/zinc/89/21/72/462892172.db2.gz VYUUSNIBTBOQET-UHFFFAOYSA-N 1 2 331.319 2.154 20 5 EEBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092455235 462953310 /nfs/dbraw/zinc/95/33/10/462953310.db2.gz TYXGJYGHVDWUHT-LBPRGKRZSA-N 1 2 337.376 2.399 20 5 EEBDLO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092455235 462953312 /nfs/dbraw/zinc/95/33/12/462953312.db2.gz TYXGJYGHVDWUHT-LBPRGKRZSA-N 1 2 337.376 2.399 20 5 EEBDLO Cn1cc[nH+]c1[C@H](Nc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1 ZINC000022261579 463047970 /nfs/dbraw/zinc/04/79/70/463047970.db2.gz CSBNJIIZAIZVII-GFCCVEGCSA-N 1 2 330.323 2.402 20 5 EEBDLO O=[N+]([O-])c1c(N2CC[NH+](Cc3ccccn3)CC2)nc2sccn21 ZINC000029186203 463245864 /nfs/dbraw/zinc/24/58/64/463245864.db2.gz MLCQSOWMPBFOMW-UHFFFAOYSA-N 1 2 344.400 2.021 20 5 EEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000058296615 463572758 /nfs/dbraw/zinc/57/27/58/463572758.db2.gz XROWWYXOWUWSSO-CYBMUJFWSA-N 1 2 331.376 2.188 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000171120771 463790270 /nfs/dbraw/zinc/79/02/70/463790270.db2.gz YCFWQYROSDLVQN-OAHLLOKOSA-N 1 2 333.319 2.059 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171228025 463819461 /nfs/dbraw/zinc/81/94/61/463819461.db2.gz IICPIRIDODFEML-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000171228025 463819465 /nfs/dbraw/zinc/81/94/65/463819465.db2.gz IICPIRIDODFEML-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000269009788 463844610 /nfs/dbraw/zinc/84/46/10/463844610.db2.gz NDLSPKSETYFMQI-UHFFFAOYSA-N 1 2 329.360 2.142 20 5 EEBDLO C[N@@H+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000269121725 463881620 /nfs/dbraw/zinc/88/16/20/463881620.db2.gz HUELTEIPAVAAFW-QGZVFWFLSA-N 1 2 341.367 2.429 20 5 EEBDLO C[N@H+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000269121725 463881625 /nfs/dbraw/zinc/88/16/25/463881625.db2.gz HUELTEIPAVAAFW-QGZVFWFLSA-N 1 2 341.367 2.429 20 5 EEBDLO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269143676 463889364 /nfs/dbraw/zinc/88/93/64/463889364.db2.gz OOTMHTBRCIHACA-UHFFFAOYSA-N 1 2 341.367 2.089 20 5 EEBDLO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269143676 463889370 /nfs/dbraw/zinc/88/93/70/463889370.db2.gz OOTMHTBRCIHACA-UHFFFAOYSA-N 1 2 341.367 2.089 20 5 EEBDLO CCCc1n[nH]c(C(=O)NCc2cn3c(cccc3C)[nH+]2)c1[N+](=O)[O-] ZINC000171828610 463932492 /nfs/dbraw/zinc/93/24/92/463932492.db2.gz HWDSAPOIBPMXMT-UHFFFAOYSA-N 1 2 342.359 2.157 20 5 EEBDLO Cc1c(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000269504434 464003221 /nfs/dbraw/zinc/00/32/21/464003221.db2.gz VQWIVWUXYHMSDM-CQSZACIVSA-N 1 2 348.403 2.232 20 5 EEBDLO Cc1cc(N[C@@H]2CC(=O)N(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000270234013 464228721 /nfs/dbraw/zinc/22/87/21/464228721.db2.gz PGLHQZMTVIINIX-GFCCVEGCSA-N 1 2 327.344 2.003 20 5 EEBDLO CCn1cc[nH+]c1/C=C\C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000492406081 468408431 /nfs/dbraw/zinc/40/84/31/468408431.db2.gz FWMASLYXDOPXAZ-FPLPWBNLSA-N 1 2 330.344 2.020 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000285895574 464734546 /nfs/dbraw/zinc/73/45/46/464734546.db2.gz KDEYTRZDLYAKGK-PBHICJAKSA-N 1 2 349.431 2.289 20 5 EEBDLO CC[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@@]1=O ZINC000286054671 464788196 /nfs/dbraw/zinc/78/81/96/464788196.db2.gz RFHNVCTZDUKMNS-SIMDFCGZSA-N 1 2 326.418 2.205 20 5 EEBDLO CC[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@@]1=O ZINC000286054671 464788202 /nfs/dbraw/zinc/78/82/02/464788202.db2.gz RFHNVCTZDUKMNS-SIMDFCGZSA-N 1 2 326.418 2.205 20 5 EEBDLO COC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000184518279 464987829 /nfs/dbraw/zinc/98/78/29/464987829.db2.gz GHSKJWCTGQGSBQ-ZDUSSCGKSA-N 1 2 349.343 2.112 20 5 EEBDLO COC[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccco1 ZINC000184595485 465004029 /nfs/dbraw/zinc/00/40/29/465004029.db2.gz IYSMWOICQOQGKF-GJZGRUSLSA-N 1 2 345.355 2.270 20 5 EEBDLO Cn1c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1[N+](=O)[O-] ZINC000348184170 465478326 /nfs/dbraw/zinc/47/83/26/465478326.db2.gz LKLSFBFBZHJEDE-UHFFFAOYSA-N 1 2 343.318 2.188 20 5 EEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000361213754 465841585 /nfs/dbraw/zinc/84/15/85/465841585.db2.gz ZYKVIXUJTVRIHI-HOCLYGCPSA-N 1 2 349.431 2.000 20 5 EEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000361213754 465841593 /nfs/dbraw/zinc/84/15/93/465841593.db2.gz ZYKVIXUJTVRIHI-HOCLYGCPSA-N 1 2 349.431 2.000 20 5 EEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(C(F)F)CC1 ZINC000331161998 465962462 /nfs/dbraw/zinc/96/24/62/465962462.db2.gz RQPWEQUTEVKBIZ-JTQLQIEISA-N 1 2 343.330 2.014 20 5 EEBDLO CNC(=O)c1ccc(N2CC[C@H](Oc3cc[nH+]cc3)C2)c([N+](=O)[O-])c1 ZINC000301623445 465998531 /nfs/dbraw/zinc/99/85/31/465998531.db2.gz FLPPCCAFDDKXSY-AWEZNQCLSA-N 1 2 342.355 2.007 20 5 EEBDLO O=C(NCCCCn1cc[nH+]c1)NCCc1ccccc1[N+](=O)[O-] ZINC000548748854 468466566 /nfs/dbraw/zinc/46/65/66/468466566.db2.gz ONVQLQNVWMYEQP-UHFFFAOYSA-N 1 2 331.376 2.113 20 5 EEBDLO CCOC(=O)c1nn(C)cc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000361724551 466237462 /nfs/dbraw/zinc/23/74/62/466237462.db2.gz AZJBXFFVNNYPGC-UHFFFAOYSA-N 1 2 332.360 2.103 20 5 EEBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@]1(CO)CCOC1 ZINC000600178640 468485705 /nfs/dbraw/zinc/48/57/05/468485705.db2.gz NGYOAOQTSZQMQR-INIZCTEOSA-N 1 2 349.412 2.302 20 5 EEBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@]1(CO)CCOC1 ZINC000600178640 468485711 /nfs/dbraw/zinc/48/57/11/468485711.db2.gz NGYOAOQTSZQMQR-INIZCTEOSA-N 1 2 349.412 2.302 20 5 EEBDLO CO[C@@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000338779656 466373957 /nfs/dbraw/zinc/37/39/57/466373957.db2.gz VHNDGMCORLIRRK-KRWDZBQOSA-N 1 2 335.404 2.264 20 5 EEBDLO O=[N+]([O-])c1cccc(N2CC[NH+](CCOCC(F)(F)F)CC2)c1 ZINC000350626651 466550911 /nfs/dbraw/zinc/55/09/11/466550911.db2.gz AYZIBMXHYGTEIT-UHFFFAOYSA-N 1 2 333.310 2.296 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347318474 466560647 /nfs/dbraw/zinc/56/06/47/466560647.db2.gz VCMZTCPLRQQCRF-SNVBAGLBSA-N 1 2 333.323 2.489 20 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ZINC000413038901 467159014 /nfs/dbraw/zinc/15/90/14/467159014.db2.gz TXFTVOXXPQVDCM-UHFFFAOYSA-N 1 2 337.323 2.433 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000451032866 467231195 /nfs/dbraw/zinc/23/11/95/467231195.db2.gz VXMBULAQTDTNHK-BETUJISGSA-N 1 2 340.339 2.117 20 5 EEBDLO O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@H]1CCCn2cc[nH+]c21 ZINC000378225123 467233915 /nfs/dbraw/zinc/23/39/15/467233915.db2.gz MCQYCLKCUVJTCB-HSBSLETESA-N 1 2 326.356 2.498 20 5 EEBDLO C[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+]1CCOCC1 ZINC000452835541 467429946 /nfs/dbraw/zinc/42/99/46/467429946.db2.gz CSEIOXOETREDAS-HOCLYGCPSA-N 1 2 347.415 2.022 20 5 EEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000408041735 467499055 /nfs/dbraw/zinc/49/90/55/467499055.db2.gz OESWCPYFLCIPDG-QWHCGFSZSA-N 1 2 341.433 2.006 20 5 EEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000408041735 467499057 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329.360 2.342 20 5 EEBDLO COC(C)(C)CN(C)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000583732978 468747231 /nfs/dbraw/zinc/74/72/31/468747231.db2.gz CDZFDSRGPRDVPT-UHFFFAOYSA-N 1 2 337.420 2.288 20 5 EEBDLO C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000595383409 468833630 /nfs/dbraw/zinc/83/36/30/468833630.db2.gz MUEYRNWWKQRZSD-MRVPVSSYSA-N 1 2 344.780 2.021 20 5 EEBDLO CC(=O)N1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])CC12CCCCC2 ZINC000595405133 468840085 /nfs/dbraw/zinc/84/00/85/468840085.db2.gz UAQDISUNKUQMFR-UHFFFAOYSA-N 1 2 336.392 2.258 20 5 EEBDLO CC(=O)N1CC[N@@H+](Cc2onc(C)c2[N+](=O)[O-])CC12CCCCC2 ZINC000595405133 468840089 /nfs/dbraw/zinc/84/00/89/468840089.db2.gz UAQDISUNKUQMFR-UHFFFAOYSA-N 1 2 336.392 2.258 20 5 EEBDLO CCOc1ccc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)nn1 ZINC000595891067 469065956 /nfs/dbraw/zinc/06/59/56/469065956.db2.gz KIAATTIIRMKDBX-UHFFFAOYSA-N 1 2 343.387 2.106 20 5 EEBDLO CC[C@H](C)[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000602807629 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POARSMXVUKVBAU-UHFFFAOYSA-N 1 2 348.384 2.206 20 5 EEBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000864440567 1296544331 /nfs/dbraw/zinc/54/43/31/1296544331.db2.gz KUECIGGSKCYHRK-UHFFFAOYSA-N 1 2 344.346 2.020 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCC45C[NH2+]C5)c3nc2cc1C ZINC001218242522 1297612902 /nfs/dbraw/zinc/61/29/02/1297612902.db2.gz QKYBOPASBHCDRT-CYBMUJFWSA-N 1 2 337.383 2.026 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(Br)c(O[C@H]2C[NH2+]CC2(F)F)c1 ZINC001218241115 1297612944 /nfs/dbraw/zinc/61/29/44/1297612944.db2.gz WSJDSCUSJLJDGP-QMMMGPOBSA-N 1 2 341.083 2.482 20 5 EEBDLO C[N@@H+]1CCO[C@H](COc2c3ccccc3c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001229425182 1302775245 /nfs/dbraw/zinc/77/52/45/1302775245.db2.gz URNGJJYDDCPNCO-NSHDSACASA-N 1 2 347.327 2.366 20 5 EEBDLO C[N@H+]1CCO[C@H](COc2c3ccccc3c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001229425182 1302775249 /nfs/dbraw/zinc/77/52/49/1302775249.db2.gz URNGJJYDDCPNCO-NSHDSACASA-N 1 2 347.327 2.366 20 5 EEBDLO C[C@H]1OCC[C@H]1COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835404196 1314916989 /nfs/dbraw/zinc/91/69/89/1314916989.db2.gz BRVAPJSVMQCRAJ-YPMHNXCESA-N 1 2 331.328 2.362 20 5 EEBDLO Cc1cc(Cl)nc(NCC2([NH+]3CCCC3)COC2)c1[N+](=O)[O-] ZINC001157654835 1318774648 /nfs/dbraw/zinc/77/46/48/1318774648.db2.gz KNSLJKPPSXUEMH-UHFFFAOYSA-N 1 2 326.784 2.228 20 5 EEBDLO CC(C)(C)c1coc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC001308514157 1331595691 /nfs/dbraw/zinc/59/56/91/1331595691.db2.gz SBCHXKMZUJKJEE-CZUORRHYSA-N 1 2 349.387 2.064 20 5 EEBDLO COc1cc(Cc2noc([C@H](C)n3cc[nH+]c3)n2)ccc1[N+](=O)[O-] ZINC001320209368 1332848677 /nfs/dbraw/zinc/84/86/77/1332848677.db2.gz IYOOBXNKQDDGMQ-JTQLQIEISA-N 1 2 329.316 2.383 20 5 EEBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC001320953547 1332985898 /nfs/dbraw/zinc/98/58/98/1332985898.db2.gz RCFBESKNOFFLMV-LBPRGKRZSA-N 1 2 343.387 2.390 20 5 EEBDLO C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815570013 1368045936 /nfs/dbraw/zinc/04/59/36/1368045936.db2.gz OCLQJJZAEFYLHE-LLVKDONJSA-N 1 2 339.359 2.004 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001091352426 790405834 /nfs/dbraw/zinc/40/58/34/790405834.db2.gz RNEDRWXGDAOZIM-OKILXGFUSA-N 1 2 343.387 2.107 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NC/C=C\CNc1cc(C)ccc1[N+](=O)[O-] ZINC001107285184 786749330 /nfs/dbraw/zinc/74/93/30/786749330.db2.gz JTNGFSYMGMSPEY-ARJAWSKDSA-N 1 2 343.387 2.262 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107566917 787673271 /nfs/dbraw/zinc/67/32/71/787673271.db2.gz YWSOSBMCIVWMCN-ARJAWSKDSA-N 1 2 329.360 2.035 20 5 EEBDLO O=C(CCc1c[nH+]c[nH]1)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107566917 787673276 /nfs/dbraw/zinc/67/32/76/787673276.db2.gz YWSOSBMCIVWMCN-ARJAWSKDSA-N 1 2 329.360 2.035 20 5 EEBDLO Nc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000029553610 788772571 /nfs/dbraw/zinc/77/25/71/788772571.db2.gz 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2.312 20 5 EEBDLO Cc1cc(Nc2ccc(N3CCNC(=O)C3)[nH+]c2)c([N+](=O)[O-])s1 ZINC000596077486 469143386 /nfs/dbraw/zinc/14/33/86/469143386.db2.gz RGVOMOZAVWCVEB-UHFFFAOYSA-N 1 2 333.373 2.040 20 5 EEBDLO COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000611140000 469172327 /nfs/dbraw/zinc/17/23/27/469172327.db2.gz FCFDSSQFELPMKY-LBPRGKRZSA-N 1 2 344.371 2.457 20 5 EEBDLO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000611140000 469172334 /nfs/dbraw/zinc/17/23/34/469172334.db2.gz FCFDSSQFELPMKY-LBPRGKRZSA-N 1 2 344.371 2.457 20 5 EEBDLO COC(=O)C[C@@H]1COCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000589208257 469212999 /nfs/dbraw/zinc/21/29/99/469212999.db2.gz CZAOCVHVSKIJJQ-WDBUWWRISA-N 1 2 334.372 2.262 20 5 EEBDLO COC(=O)C[C@@H]1COCC[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000589208257 469213005 /nfs/dbraw/zinc/21/30/05/469213005.db2.gz CZAOCVHVSKIJJQ-WDBUWWRISA-N 1 2 334.372 2.262 20 5 EEBDLO COC1CC[NH+](Cc2cn(CCc3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000603195394 469305338 /nfs/dbraw/zinc/30/53/38/469305338.db2.gz ILOKMZMXZZFJNO-UHFFFAOYSA-N 1 2 345.403 2.040 20 5 EEBDLO COC1CC[NH+](Cc2cn([C@@H](C)c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC000603219509 469313325 /nfs/dbraw/zinc/31/33/25/469313325.db2.gz PRNOVFFGMWBDQA-ZDUSSCGKSA-N 1 2 345.403 2.406 20 5 EEBDLO COc1c(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000619434647 469605032 /nfs/dbraw/zinc/60/50/32/469605032.db2.gz MXEIJIHIIVWQNT-GFCCVEGCSA-N 1 2 330.344 2.277 20 5 EEBDLO CNc1ccc(C(=O)NCCCNc2cccc[nH+]2)cc1[N+](=O)[O-] ZINC000609838492 469964831 /nfs/dbraw/zinc/96/48/31/469964831.db2.gz WQCANRHFXNPGIO-UHFFFAOYSA-N 1 2 329.360 2.264 20 5 EEBDLO Cc1c(NC(=O)[C@@H](C)O[NH+]=C(N)COC(C)C)cccc1[N+](=O)[O-] ZINC000733305803 577221911 /nfs/dbraw/zinc/22/19/11/577221911.db2.gz YYVCASMFXRSGDW-LLVKDONJSA-N 1 2 338.364 2.154 20 5 EEBDLO COC(=O)C1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000776599156 577464032 /nfs/dbraw/zinc/46/40/32/577464032.db2.gz WVWAMAFFBWBFDI-OAHLLOKOSA-N 1 2 336.388 2.484 20 5 EEBDLO CNC(=O)[C@H](C)C[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769570270 577580728 /nfs/dbraw/zinc/58/07/28/577580728.db2.gz YSTOEVHJKIISKS-SECBINFHSA-N 1 2 344.209 2.171 20 5 EEBDLO CNC(=O)[C@H](C)C[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769570270 577580729 /nfs/dbraw/zinc/58/07/29/577580729.db2.gz YSTOEVHJKIISKS-SECBINFHSA-N 1 2 344.209 2.171 20 5 EEBDLO O=[N+]([O-])c1cc(-c2nc(Cc3ccon3)no2)ccc1-n1cc[nH+]c1 ZINC000762103691 577695103 /nfs/dbraw/zinc/69/51/03/577695103.db2.gz XGHOFEQHGDXLLZ-UHFFFAOYSA-N 1 2 338.283 2.409 20 5 EEBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccn(-c2ccccc2)n1 ZINC000746659439 577931853 /nfs/dbraw/zinc/93/18/53/577931853.db2.gz TZTGMHABRHQXLA-UHFFFAOYSA-N 1 2 326.360 2.109 20 5 EEBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccn(-c2ccccc2)n1 ZINC000746659439 577931854 /nfs/dbraw/zinc/93/18/54/577931854.db2.gz TZTGMHABRHQXLA-UHFFFAOYSA-N 1 2 326.360 2.109 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)c1C ZINC000891688276 676779255 /nfs/dbraw/zinc/77/92/55/676779255.db2.gz BRTRRNZPMJLMNP-UHFFFAOYSA-N 1 2 349.431 2.394 20 5 EEBDLO CC[N@H+](C)[C@@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000177793459 681525068 /nfs/dbraw/zinc/52/50/68/681525068.db2.gz LQYFKEFJMYAQOP-OAHLLOKOSA-N 1 2 332.360 2.028 20 5 EEBDLO CC[N@@H+](C)[C@@H](C(=O)OCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000177793459 681525074 /nfs/dbraw/zinc/52/50/74/681525074.db2.gz LQYFKEFJMYAQOP-OAHLLOKOSA-N 1 2 332.360 2.028 20 5 EEBDLO CC[C@H](C[NH+]1CCOCC1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000895804951 684731508 /nfs/dbraw/zinc/73/15/08/684731508.db2.gz XAPWJZSBJBMKKT-CYBMUJFWSA-N 1 2 348.403 2.002 20 5 EEBDLO C[C@@H]1C[N@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000931297195 1206622979 /nfs/dbraw/zinc/62/29/79/1206622979.db2.gz FTLSYNJULQVTNV-SNVBAGLBSA-N 1 2 342.783 2.090 20 5 EEBDLO C[C@@H]1C[N@@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCO1 ZINC000931297195 1206622980 /nfs/dbraw/zinc/62/29/80/1206622980.db2.gz FTLSYNJULQVTNV-SNVBAGLBSA-N 1 2 342.783 2.090 20 5 EEBDLO CCn1c[nH+]c2c1CCN(Cn1nc(C)c3cc([N+](=O)[O-])ccc31)C2 ZINC000902550720 1237866819 /nfs/dbraw/zinc/86/68/19/1237866819.db2.gz HZXQSAZBLBPXJP-UHFFFAOYSA-N 1 2 340.387 2.485 20 5 EEBDLO Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001097113426 1243719355 /nfs/dbraw/zinc/71/93/55/1243719355.db2.gz SVKRTTABXINDDY-JOCQHMNTSA-N 1 2 343.387 2.020 20 5 EEBDLO O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC001097235973 1243863327 /nfs/dbraw/zinc/86/33/27/1243863327.db2.gz KNNPBYYVGILDLP-TXEJJXNPSA-N 1 2 347.350 2.080 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101463222 1245861986 /nfs/dbraw/zinc/86/19/86/1245861986.db2.gz LTVVGLOSMKRHOL-UHFFFAOYSA-N 1 2 343.387 2.036 20 5 EEBDLO O=C(CCc1c[nH+]c[nH]1)NCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001101463222 1245861995 /nfs/dbraw/zinc/86/19/95/1245861995.db2.gz LTVVGLOSMKRHOL-UHFFFAOYSA-N 1 2 343.387 2.036 20 5 EEBDLO CCCSc1nc(O[C@@H]2CC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218115538 1297578010 /nfs/dbraw/zinc/57/80/10/1297578010.db2.gz HJIBPRSZZQGTDO-YMTOWFKASA-N 1 2 340.405 2.113 20 5 EEBDLO CNc1cc(CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001221258055 1298732890 /nfs/dbraw/zinc/73/28/90/1298732890.db2.gz JJLLNZDZSYVAAV-UHFFFAOYSA-N 1 2 345.359 2.040 20 5 EEBDLO Cc1cc(NCCN(C)C(=O)CCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC001101889111 1299990102 /nfs/dbraw/zinc/99/01/02/1299990102.db2.gz JBFFXYFYCUXFTN-UHFFFAOYSA-N 1 2 331.376 2.060 20 5 EEBDLO CC(C)N(CCCNC(=O)Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC001102115655 1300343464 /nfs/dbraw/zinc/34/34/64/1300343464.db2.gz SLWIGSZVJBGIRS-UHFFFAOYSA-N 1 2 345.403 2.282 20 5 EEBDLO C[N@@H+]1CCO[C@H](COc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001225661122 1301114613 /nfs/dbraw/zinc/11/46/13/1301114613.db2.gz JJWDLLWAEKVOOQ-JTQLQIEISA-N 1 2 331.166 2.067 20 5 EEBDLO C[N@H+]1CCO[C@H](COc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC001225661122 1301114618 /nfs/dbraw/zinc/11/46/18/1301114618.db2.gz JJWDLLWAEKVOOQ-JTQLQIEISA-N 1 2 331.166 2.067 20 5 EEBDLO C[N@@H+]1CCO[C@@H](COc2cc([N+](=O)[O-])c(F)cc2Br)C1 ZINC001225753872 1301146999 /nfs/dbraw/zinc/14/69/99/1301146999.db2.gz KJTKZTWGENVXCN-MRVPVSSYSA-N 1 2 349.156 2.206 20 5 EEBDLO C[N@H+]1CCO[C@@H](COc2cc([N+](=O)[O-])c(F)cc2Br)C1 ZINC001225753872 1301147003 /nfs/dbraw/zinc/14/70/03/1301147003.db2.gz KJTKZTWGENVXCN-MRVPVSSYSA-N 1 2 349.156 2.206 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)N(C)CCCN(C)c1ccccc1[N+](=O)[O-] ZINC001112107747 1304246759 /nfs/dbraw/zinc/24/67/59/1304246759.db2.gz HBHUWPBRENWHIT-UHFFFAOYSA-N 1 2 345.403 2.154 20 5 EEBDLO O=[N+]([O-])c1cnn(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000840164547 1315314422 /nfs/dbraw/zinc/31/44/22/1315314422.db2.gz SGYZMQJLEIZZQU-LBPRGKRZSA-N 1 2 348.325 2.430 20 5 EEBDLO O=[N+]([O-])c1cnn(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000840164547 1315314428 /nfs/dbraw/zinc/31/44/28/1315314428.db2.gz SGYZMQJLEIZZQU-LBPRGKRZSA-N 1 2 348.325 2.430 20 5 EEBDLO O=C(OCCC1(O)CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000840519309 1315373015 /nfs/dbraw/zinc/37/30/15/1315373015.db2.gz QNPFLRWJLPQWKB-UHFFFAOYSA-N 1 2 331.328 2.242 20 5 EEBDLO CC(C)(C)OC(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254464218 1318079735 /nfs/dbraw/zinc/07/97/35/1318079735.db2.gz CCABOINPNHNITB-UHFFFAOYSA-N 1 2 335.404 2.495 20 5 EEBDLO COCc1cnc2n1CC[N@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)[C@H]2C ZINC001254597517 1318138665 /nfs/dbraw/zinc/13/86/65/1318138665.db2.gz SVBCMDCGVGSZQS-LRDDRELGSA-N 1 2 342.399 2.482 20 5 EEBDLO COCc1cnc2n1CC[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)[C@H]2C ZINC001254597517 1318138674 /nfs/dbraw/zinc/13/86/74/1318138674.db2.gz SVBCMDCGVGSZQS-LRDDRELGSA-N 1 2 342.399 2.482 20 5 EEBDLO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc2[nH+]ccn2c1 ZINC001163139806 1321049547 /nfs/dbraw/zinc/04/95/47/1321049547.db2.gz YTSQMMDVQUYMTH-UHFFFAOYSA-N 1 2 341.327 2.426 20 5 EEBDLO C[C@]1([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC001308085353 1331563454 /nfs/dbraw/zinc/56/34/54/1331563454.db2.gz LLGYFAIYZNTTPD-BLLLJJGKSA-N 1 2 335.360 2.011 20 5 EEBDLO C[C@]1([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC001308085353 1331563456 /nfs/dbraw/zinc/56/34/56/1331563456.db2.gz LLGYFAIYZNTTPD-BLLLJJGKSA-N 1 2 335.360 2.011 20 5 EEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001308112756 1331564752 /nfs/dbraw/zinc/56/47/52/1331564752.db2.gz LCTHYBZZISZSEL-CHWSQXEVSA-N 1 2 341.371 2.201 20 5 EEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](c2cnccn2)C1 ZINC001308112756 1331564759 /nfs/dbraw/zinc/56/47/59/1331564759.db2.gz LCTHYBZZISZSEL-CHWSQXEVSA-N 1 2 341.371 2.201 20 5 EEBDLO COCn1ncc(C)c1C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001336674225 1336579215 /nfs/dbraw/zinc/57/92/15/1336579215.db2.gz WEFUFRHOYKXYDL-UHFFFAOYSA-N 1 2 345.403 2.026 20 5 EEBDLO Cc1cc(NC2(CNC(=O)Cc3c[nH]c[nH+]3)CCC2)ccc1[N+](=O)[O-] ZINC001111910790 1371303052 /nfs/dbraw/zinc/30/30/52/1371303052.db2.gz HKNNLHHPROZWOI-UHFFFAOYSA-N 1 2 343.387 2.320 20 5 EEBDLO CCN(CCNC(=O)CCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])c(C)c1 ZINC001100510120 1410660433 /nfs/dbraw/zinc/66/04/33/1410660433.db2.gz PEKCQMNESXWPTG-UHFFFAOYSA-N 1 2 345.403 2.202 20 5 EEBDLO Cc1nn(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000817365190 784743768 /nfs/dbraw/zinc/74/37/68/784743768.db2.gz RUDUTHVVNRDODM-WCQYABFASA-N 1 2 338.408 2.499 20 5 EEBDLO Cc1nn(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000817365190 784743776 /nfs/dbraw/zinc/74/37/76/784743776.db2.gz RUDUTHVVNRDODM-WCQYABFASA-N 1 2 338.408 2.499 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000908283306 785297306 /nfs/dbraw/zinc/29/73/06/785297306.db2.gz ZIDZKDUKNXXXHI-LLVKDONJSA-N 1 2 330.344 2.391 20 5 EEBDLO CC(C)(CCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N+](=O)[O-] ZINC000822441828 787202232 /nfs/dbraw/zinc/20/22/32/787202232.db2.gz NHIAFYDVBKWZNS-UHFFFAOYSA-N 1 2 330.388 2.383 20 5 EEBDLO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000844455156 789112532 /nfs/dbraw/zinc/11/25/32/789112532.db2.gz MYUPHMLIGHUKOI-GARJFASQSA-N 1 2 325.315 2.427 20 5 EEBDLO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000844455156 789112541 /nfs/dbraw/zinc/11/25/41/789112541.db2.gz MYUPHMLIGHUKOI-GARJFASQSA-N 1 2 325.315 2.427 20 5 EEBDLO Cc1cc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)nn1C ZINC000785677456 806539607 /nfs/dbraw/zinc/53/96/07/806539607.db2.gz MVQVDRQVFLCXNI-UHFFFAOYSA-N 1 2 341.327 2.179 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@](F)(CO)C2)c1F ZINC001173180099 797278682 /nfs/dbraw/zinc/27/86/82/797278682.db2.gz IKCCMSOMEKGLDP-BMIGLBTASA-N 1 2 330.331 2.080 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CC[C@@](F)(CO)C2)c1F ZINC001173180099 797278687 /nfs/dbraw/zinc/27/86/87/797278687.db2.gz IKCCMSOMEKGLDP-BMIGLBTASA-N 1 2 330.331 2.080 20 5 EEBDLO Cc1cc(NCCCN(C)C(=O)Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC001109472467 805524741 /nfs/dbraw/zinc/52/47/41/805524741.db2.gz NZJZHOABEBVZAV-UHFFFAOYSA-N 1 2 331.376 2.060 20 5 EEBDLO CC[C@]1(CO)CCC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000426453673 241288036 /nfs/dbraw/zinc/28/80/36/241288036.db2.gz IGVSWGJJCPVTBH-KRWDZBQOSA-N 1 2 335.404 2.326 20 5 EEBDLO CC[C@]1(CO)CCC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000426453673 241288043 /nfs/dbraw/zinc/28/80/43/241288043.db2.gz IGVSWGJJCPVTBH-KRWDZBQOSA-N 1 2 335.404 2.326 20 5 EEBDLO C[C@@H]1CSC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451692599 243208813 /nfs/dbraw/zinc/20/88/13/243208813.db2.gz UXIFZGZVFUPGCF-ZYHUDNBSSA-N 1 2 332.385 2.262 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104970110 204126830 /nfs/dbraw/zinc/12/68/30/204126830.db2.gz WFFDQIAVWGCWSE-CHWSQXEVSA-N 1 2 336.392 2.134 20 5 EEBDLO Cc1ccc(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000104969994 204127410 /nfs/dbraw/zinc/12/74/10/204127410.db2.gz SADJUJMIGMUOGW-STQMWFEESA-N 1 2 336.392 2.134 20 5 EEBDLO C[C@H]([C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCOCC1 ZINC000112115346 204383411 /nfs/dbraw/zinc/38/34/11/204383411.db2.gz KOWKNTIHZKDCHL-WDEREUQCSA-N 1 2 341.795 2.087 20 5 EEBDLO Cc1c(CC(=O)N2CCN(c3cccc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000158993024 206221407 /nfs/dbraw/zinc/22/14/07/206221407.db2.gz CZFGRAVDENNFHA-UHFFFAOYSA-N 1 2 340.383 2.190 20 5 EEBDLO COc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000266125819 248115546 /nfs/dbraw/zinc/11/55/46/248115546.db2.gz BKRKBNZQMJZOLC-UHFFFAOYSA-N 1 2 344.371 2.447 20 5 EEBDLO C[C@@H]1CN(c2ccc(Nc3ncc([N+](=O)[O-])cn3)c[nH+]2)C[C@H](C)O1 ZINC000273655336 256315759 /nfs/dbraw/zinc/31/57/59/256315759.db2.gz VCINYLUGHLCDPR-PHIMTYICSA-N 1 2 330.348 2.137 20 5 EEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248966219 160369591 /nfs/dbraw/zinc/36/95/91/160369591.db2.gz BSALJAOSBZBUJB-RWMBFGLXSA-N 1 2 349.387 2.053 20 5 EEBDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248966219 160369593 /nfs/dbraw/zinc/36/95/93/160369593.db2.gz BSALJAOSBZBUJB-RWMBFGLXSA-N 1 2 349.387 2.053 20 5 EEBDLO CC(C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1nccs1 ZINC000072662880 159042698 /nfs/dbraw/zinc/04/26/98/159042698.db2.gz FTSSNMLIPITMHM-UHFFFAOYSA-N 1 2 346.412 2.465 20 5 EEBDLO C[C@H]1CSC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000342334495 161056953 /nfs/dbraw/zinc/05/69/53/161056953.db2.gz CDMQXMHLSZBEHU-CMPLNLGQSA-N 1 2 332.385 2.262 20 5 EEBDLO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCCc1[nH]cc[nH+]1 ZINC000345300974 161289586 /nfs/dbraw/zinc/28/95/86/161289586.db2.gz AJUFLYOWVOOQKV-SECBINFHSA-N 1 2 338.751 2.098 20 5 EEBDLO CN(Cc1[nH]cc[nH+]1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000346402747 161369775 /nfs/dbraw/zinc/36/97/75/161369775.db2.gz UWFDVHNUHMDSMX-UHFFFAOYSA-N 1 2 329.360 2.190 20 5 EEBDLO Cc1[nH+]c2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)ccc2n1C ZINC000154059421 292515885 /nfs/dbraw/zinc/51/58/85/292515885.db2.gz NWMGHONASQFHLP-UHFFFAOYSA-N 1 2 327.300 2.143 20 5 EEBDLO O=C(C[NH+]1CCC([C@@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000368263091 166078822 /nfs/dbraw/zinc/07/88/22/166078822.db2.gz IUCJHLFKBQELRK-CQSZACIVSA-N 1 2 333.388 2.282 20 5 EEBDLO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cn4ccsc4n3)CC2)n1 ZINC000369692543 166314856 /nfs/dbraw/zinc/31/48/56/166314856.db2.gz JNYCTFQLGIRQQJ-UHFFFAOYSA-N 1 2 332.389 2.338 20 5 EEBDLO COc1ccc(NC(=O)C[N@H+]2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000281736204 269441881 /nfs/dbraw/zinc/44/18/81/269441881.db2.gz QFKUYYAZUNVLTI-AAEUAGOBSA-N 1 2 337.376 2.041 20 5 EEBDLO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000281736204 269441882 /nfs/dbraw/zinc/44/18/82/269441882.db2.gz QFKUYYAZUNVLTI-AAEUAGOBSA-N 1 2 337.376 2.041 20 5 EEBDLO O=[N+]([O-])c1c(N[C@H]2CCN(c3cccc[nH+]3)C2)nc2sccn21 ZINC000269855325 274118013 /nfs/dbraw/zinc/11/80/13/274118013.db2.gz HISZTUJHLHCUCN-JTQLQIEISA-N 1 2 330.373 2.390 20 5 EEBDLO CCn1cc(CN[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000272557364 274175575 /nfs/dbraw/zinc/17/55/75/274175575.db2.gz SKLTUMJMRVDQHD-MRXNPFEDSA-N 1 2 340.387 2.424 20 5 EEBDLO O=[N+]([O-])c1c(NCC2([NH+]3CCOCC3)CC2)ccc2ncccc21 ZINC000277518998 274304617 /nfs/dbraw/zinc/30/46/17/274304617.db2.gz UYOQFUOQTIGLNW-UHFFFAOYSA-N 1 2 328.372 2.420 20 5 EEBDLO CN(C(=O)C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000290014305 275171017 /nfs/dbraw/zinc/17/10/17/275171017.db2.gz ZUPKBAQNYGMUHR-WBVHZDCISA-N 1 2 347.415 2.447 20 5 EEBDLO CN(C(=O)C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000290014305 275171019 /nfs/dbraw/zinc/17/10/19/275171019.db2.gz ZUPKBAQNYGMUHR-WBVHZDCISA-N 1 2 347.415 2.447 20 5 EEBDLO CCn1cc[nH+]c1[C@H]1CCCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291036439 275263447 /nfs/dbraw/zinc/26/34/47/275263447.db2.gz ZLQCRQSPUIDPHB-GFCCVEGCSA-N 1 2 344.375 2.037 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000421566802 314118734 /nfs/dbraw/zinc/11/87/34/314118734.db2.gz XEDLQMCUGFHIOL-AWEZNQCLSA-N 1 2 335.404 2.004 20 5 EEBDLO C[C@H]1OCC[C@]12C[N@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C[C@@H](C)O2 ZINC000447832465 315368925 /nfs/dbraw/zinc/36/89/25/315368925.db2.gz QKMASVRWUCKACF-QFSBIZTOSA-N 1 2 346.387 2.239 20 5 EEBDLO C[C@H]1OCC[C@]12C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3[nH]1)C[C@@H](C)O2 ZINC000447832465 315368930 /nfs/dbraw/zinc/36/89/30/315368930.db2.gz QKMASVRWUCKACF-QFSBIZTOSA-N 1 2 346.387 2.239 20 5 EEBDLO C[C@H](NC(=O)NCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000455098989 315655498 /nfs/dbraw/zinc/65/54/98/315655498.db2.gz VFLPTZDAWWQAJB-LBPRGKRZSA-N 1 2 329.360 2.462 20 5 EEBDLO Cc1c[nH]c(C(C)(C)NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)[nH+]1 ZINC000517241748 316654039 /nfs/dbraw/zinc/65/40/39/316654039.db2.gz QTQYUSPCXPPATI-UHFFFAOYSA-N 1 2 332.360 2.365 20 5 EEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCCCn2cc[nH+]c2)s1 ZINC000538706723 318042190 /nfs/dbraw/zinc/04/21/90/318042190.db2.gz WQXJCGUJRNELAC-UHFFFAOYSA-N 1 2 344.418 2.149 20 5 EEBDLO C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000544145504 318181495 /nfs/dbraw/zinc/18/14/95/318181495.db2.gz LUDDUTIHVDDDQW-TXEJJXNPSA-N 1 2 344.458 2.194 20 5 EEBDLO C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000544145504 318181498 /nfs/dbraw/zinc/18/14/98/318181498.db2.gz LUDDUTIHVDDDQW-TXEJJXNPSA-N 1 2 344.458 2.194 20 5 EEBDLO Cc1cc(C)c(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c[nH+]1 ZINC000556689517 318631207 /nfs/dbraw/zinc/63/12/07/318631207.db2.gz JNHJAOGLSRTIJY-UHFFFAOYSA-N 1 2 343.339 2.308 20 5 EEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)cn3)CC2)cn1 ZINC000558408623 318708186 /nfs/dbraw/zinc/70/81/86/318708186.db2.gz OGDKXTBUTIMXIB-UHFFFAOYSA-N 1 2 333.779 2.360 20 5 EEBDLO COc1ccc(CC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000561115271 318824448 /nfs/dbraw/zinc/82/44/48/318824448.db2.gz WRGUWQWCNPCDOC-MRXNPFEDSA-N 1 2 344.371 2.147 20 5 EEBDLO C[C@H]1COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000354587149 465040516 /nfs/dbraw/zinc/04/05/16/465040516.db2.gz BQGKSGXEYRQOGR-JTQLQIEISA-N 1 2 331.319 2.329 20 5 EEBDLO C[C@H]1COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000354587149 465040521 /nfs/dbraw/zinc/04/05/21/465040521.db2.gz BQGKSGXEYRQOGR-JTQLQIEISA-N 1 2 331.319 2.329 20 5 EEBDLO CCN(C)C(=O)[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000296495935 465213267 /nfs/dbraw/zinc/21/32/67/465213267.db2.gz YZPRGOMJAJRWKS-AWEZNQCLSA-N 1 2 329.347 2.466 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000339478039 465296898 /nfs/dbraw/zinc/29/68/98/465296898.db2.gz KJHKXTBUKNKWMY-NSHDSACASA-N 1 2 339.355 2.439 20 5 EEBDLO 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326.316 2.268 20 5 EEBDLO COc1ccc(NC(=O)C[N@@H+]2CCS[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000192178390 464881402 /nfs/dbraw/zinc/88/14/02/464881402.db2.gz QKMDYNLIHLRBKG-LLVKDONJSA-N 1 2 339.417 2.369 20 5 EEBDLO COc1ccc(NC(=O)C[N@H+]2CCS[C@H](C)CC2)c([N+](=O)[O-])c1 ZINC000192178390 464881410 /nfs/dbraw/zinc/88/14/10/464881410.db2.gz QKMDYNLIHLRBKG-LLVKDONJSA-N 1 2 339.417 2.369 20 5 EEBDLO CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000192257628 464895916 /nfs/dbraw/zinc/89/59/16/464895916.db2.gz YQSBEVPEKSCKQW-UHFFFAOYSA-N 1 2 345.403 2.488 20 5 EEBDLO COC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccco1 ZINC000184518299 464987588 /nfs/dbraw/zinc/98/75/88/464987588.db2.gz GHSKJWCTGQGSBQ-CYBMUJFWSA-N 1 2 349.343 2.112 20 5 EEBDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000286705062 465010865 /nfs/dbraw/zinc/01/08/65/465010865.db2.gz AGYMJZJUFYINGR-GFCCVEGCSA-N 1 2 345.407 2.117 20 5 EEBDLO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 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/nfs/dbraw/zinc/73/22/12/783732212.db2.gz UIGFVGOMHZURIN-UHFFFAOYSA-N 1 2 341.327 2.293 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NC/C=C/CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107285998 786723497 /nfs/dbraw/zinc/72/34/97/786723497.db2.gz TVYXNWHSJVSEFC-NSCUHMNNSA-N 1 2 347.350 2.092 20 5 EEBDLO Nc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000823986645 788009331 /nfs/dbraw/zinc/00/93/31/788009331.db2.gz KUMOAIOWHRXBFO-UHFFFAOYSA-N 1 2 330.348 2.312 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC[NH2+]CC(F)(F)C2)c1F ZINC001173181339 797279324 /nfs/dbraw/zinc/27/93/24/797279324.db2.gz OSVKBNUAIYVZOB-JTQLQIEISA-N 1 2 347.337 2.214 20 5 EEBDLO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1Oc2ccc(CCO)cc2O1 ZINC001173218415 797299389 /nfs/dbraw/zinc/29/93/89/797299389.db2.gz ASUXYZBYNIBUIP-KZULUSFZSA-N 1 2 344.367 2.405 20 5 EEBDLO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)CCc1[nH]cc[nH+]1 ZINC001109432987 805455442 /nfs/dbraw/zinc/45/54/42/805455442.db2.gz RYPZJARWSIGXDD-UHFFFAOYSA-N 1 2 331.376 2.211 20 5 EEBDLO Cn1c[nH+]cc1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001529281536 1121387886 /nfs/dbraw/zinc/38/78/86/1121387886.db2.gz PJRILMUSEUFPFF-UHFFFAOYSA-N 1 2 332.335 2.487 20 5 EEBDLO Cc1ccc(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)c([N+](=O)[O-])c1 ZINC000451548049 243153481 /nfs/dbraw/zinc/15/34/81/243153481.db2.gz MDJZSRDXIZLQKE-CYBMUJFWSA-N 1 2 338.389 2.302 20 5 EEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000456366987 244232314 /nfs/dbraw/zinc/23/23/14/244232314.db2.gz CARYPIQPEBCZDS-SNVBAGLBSA-N 1 2 346.343 2.073 20 5 EEBDLO COc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000101861548 204023990 /nfs/dbraw/zinc/02/39/90/204023990.db2.gz YLNZKUHAEBAQBS-UHFFFAOYSA-N 1 2 330.344 2.277 20 5 EEBDLO CC(C)[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000174332629 207012540 /nfs/dbraw/zinc/01/25/40/207012540.db2.gz LHIXDIFUZSHEDL-GOEBONIOSA-N 1 2 340.445 2.408 20 5 EEBDLO CC(C)[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCS1 ZINC000174332629 207012545 /nfs/dbraw/zinc/01/25/45/207012545.db2.gz LHIXDIFUZSHEDL-GOEBONIOSA-N 1 2 340.445 2.408 20 5 EEBDLO O=[N+]([O-])c1ccn(CCN2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000176195273 207199224 /nfs/dbraw/zinc/19/92/24/207199224.db2.gz VIBGATKBVKHFSI-UHFFFAOYSA-N 1 2 349.822 2.263 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(N2CCC[C@H]2C[NH+]2CCOCC2)c(F)c1 ZINC000160420008 296500774 /nfs/dbraw/zinc/50/07/74/296500774.db2.gz LYZLJUAPQZDBTQ-NSHDSACASA-N 1 2 327.331 2.174 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000341718015 161008307 /nfs/dbraw/zinc/00/83/07/161008307.db2.gz JMJQIERNZMZEOM-CQSZACIVSA-N 1 2 330.344 2.218 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)n1 ZINC000359642979 164143923 /nfs/dbraw/zinc/14/39/23/164143923.db2.gz SNPHTUOXBAYTPR-UONOGXRCSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)n1 ZINC000359642979 164143924 /nfs/dbraw/zinc/14/39/24/164143924.db2.gz SNPHTUOXBAYTPR-UONOGXRCSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1c[nH]c(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])nn2C)[nH+]1 ZINC000360762103 164375742 /nfs/dbraw/zinc/37/57/42/164375742.db2.gz DTKHRVLFMAJDON-UHFFFAOYSA-N 1 2 326.316 2.279 20 5 EEBDLO CN(C(=O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000368792157 166127661 /nfs/dbraw/zinc/12/76/61/166127661.db2.gz NPNIJWBWMNZPFP-QGZVFWFLSA-N 1 2 347.415 2.449 20 5 EEBDLO CN(C(=O)C[N@H+]1CCC[C@@H](OCC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000368792157 166127663 /nfs/dbraw/zinc/12/76/63/166127663.db2.gz NPNIJWBWMNZPFP-QGZVFWFLSA-N 1 2 347.415 2.449 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000369368262 166247007 /nfs/dbraw/zinc/24/70/07/166247007.db2.gz GLXIIWCXYSBARP-CYBMUJFWSA-N 1 2 344.371 2.113 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000370047034 166383594 /nfs/dbraw/zinc/38/35/94/166383594.db2.gz VDIORYCRJFOLTD-LBPRGKRZSA-N 1 2 330.344 2.394 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000370047034 166383596 /nfs/dbraw/zinc/38/35/96/166383596.db2.gz VDIORYCRJFOLTD-LBPRGKRZSA-N 1 2 330.344 2.394 20 5 EEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCOC(C)C)CC1 ZINC000288211414 275035551 /nfs/dbraw/zinc/03/55/51/275035551.db2.gz DDIWOPQZMXLWOQ-UHFFFAOYSA-N 1 2 335.404 2.344 20 5 EEBDLO C[C@H]1CCN(c2ccc([N+](=O)[O-])c3nonc32)C[C@H]1n1cc[nH+]c1 ZINC000268305869 278370260 /nfs/dbraw/zinc/37/02/60/278370260.db2.gz ZGCIWVVUEULPMB-GXFFZTMASA-N 1 2 328.332 2.415 20 5 EEBDLO C[C@@H]1CN(c2ccc(Nc3c([N+](=O)[O-])ncn3C)c[nH+]2)C[C@H](C)O1 ZINC000298724813 294570458 /nfs/dbraw/zinc/57/04/58/294570458.db2.gz POHJGBNACXCIKT-PHIMTYICSA-N 1 2 332.364 2.081 20 5 EEBDLO COc1cccc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000444121565 315274745 /nfs/dbraw/zinc/27/47/45/315274745.db2.gz ICNRGFUTEVQQRD-NSHDSACASA-N 1 2 330.344 2.346 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCC(O[C@H]4CCOC4)CC3)nc2c1 ZINC000444650202 315314213 /nfs/dbraw/zinc/31/42/13/315314213.db2.gz OBMOIBKDDFXUSP-AWEZNQCLSA-N 1 2 346.387 2.241 20 5 EEBDLO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000522285041 316965272 /nfs/dbraw/zinc/96/52/72/316965272.db2.gz QRXQCOOIYUCZNT-LLVKDONJSA-N 1 2 332.385 2.355 20 5 EEBDLO CCc1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000534336796 317942669 /nfs/dbraw/zinc/94/26/69/317942669.db2.gz QMAUEQHFTWAYRP-UHFFFAOYSA-N 1 2 333.417 2.331 20 5 EEBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000541999881 318120434 /nfs/dbraw/zinc/12/04/34/318120434.db2.gz FEBBZQBDMQMUPX-ZDUSSCGKSA-N 1 2 338.795 2.238 20 5 EEBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000541999881 318120437 /nfs/dbraw/zinc/12/04/37/318120437.db2.gz FEBBZQBDMQMUPX-ZDUSSCGKSA-N 1 2 338.795 2.238 20 5 EEBDLO Cc1noc([C@@H](C)[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000563546117 319022050 /nfs/dbraw/zinc/02/20/50/319022050.db2.gz ZHKFHQSFKWIBLG-SNVBAGLBSA-N 1 2 333.348 2.308 20 5 EEBDLO Cc1noc([C@@H](C)[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000563546117 319022051 /nfs/dbraw/zinc/02/20/51/319022051.db2.gz ZHKFHQSFKWIBLG-SNVBAGLBSA-N 1 2 333.348 2.308 20 5 EEBDLO C[C@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C(=O)OC(C)(C)C ZINC000564916402 319127201 /nfs/dbraw/zinc/12/72/01/319127201.db2.gz NBPBPTOCDOJDML-NWDGAFQWSA-N 1 2 338.408 2.128 20 5 EEBDLO C[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C(=O)OC(C)(C)C ZINC000564916402 319127202 /nfs/dbraw/zinc/12/72/02/319127202.db2.gz NBPBPTOCDOJDML-NWDGAFQWSA-N 1 2 338.408 2.128 20 5 EEBDLO CC(C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000566568467 319301500 /nfs/dbraw/zinc/30/15/00/319301500.db2.gz SWBRWRDLRRBKOK-LBPRGKRZSA-N 1 2 328.372 2.405 20 5 EEBDLO CN(C[C@@H]1CCC[C@@H]1O)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000575868383 320120908 /nfs/dbraw/zinc/12/09/08/320120908.db2.gz ODCGOSGOJMLTLM-YJBOKZPZSA-N 1 2 349.431 2.024 20 5 EEBDLO C[C@H](c1ccncc1)[N@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182287404 323371020 /nfs/dbraw/zinc/37/10/20/323371020.db2.gz VAHJRZDJIPEYQK-CYBMUJFWSA-N 1 2 349.412 2.457 20 5 EEBDLO C[C@H](c1ccncc1)[N@@H+](C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182287404 323371022 /nfs/dbraw/zinc/37/10/22/323371022.db2.gz VAHJRZDJIPEYQK-CYBMUJFWSA-N 1 2 349.412 2.457 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000193591460 323488136 /nfs/dbraw/zinc/48/81/36/323488136.db2.gz XYQMRCFSXLRNGB-UHFFFAOYSA-N 1 2 340.339 2.110 20 5 EEBDLO CC(C)Cn1cc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cn1 ZINC000296145797 465095568 /nfs/dbraw/zinc/09/55/68/465095568.db2.gz XDBGAQBJNWBUMR-UHFFFAOYSA-N 1 2 344.419 2.165 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351604538 465248366 /nfs/dbraw/zinc/24/83/66/465248366.db2.gz MBVWDBHIGOVPDV-SNVBAGLBSA-N 1 2 333.323 2.489 20 5 EEBDLO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)CS(=O)(=O)CC ZINC000112999733 462562841 /nfs/dbraw/zinc/56/28/41/462562841.db2.gz HGOBMBUFFPXBQW-GFCCVEGCSA-N 1 2 344.433 2.249 20 5 EEBDLO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)CS(=O)(=O)CC ZINC000112999733 462562842 /nfs/dbraw/zinc/56/28/42/462562842.db2.gz HGOBMBUFFPXBQW-GFCCVEGCSA-N 1 2 344.433 2.249 20 5 EEBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCCNC1=O ZINC000153487860 462656093 /nfs/dbraw/zinc/65/60/93/462656093.db2.gz VQKZFSKJKRFWSL-OAHLLOKOSA-N 1 2 344.371 2.350 20 5 EEBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCCNC1=O ZINC000153487860 462656100 /nfs/dbraw/zinc/65/61/00/462656100.db2.gz VQKZFSKJKRFWSL-OAHLLOKOSA-N 1 2 344.371 2.350 20 5 EEBDLO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075552078 462729646 /nfs/dbraw/zinc/72/96/46/462729646.db2.gz MVPFQVJQGMYXAM-SNVBAGLBSA-N 1 2 340.343 2.214 20 5 EEBDLO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(c3ncccc3F)CC2)c1 ZINC000090632116 462804972 /nfs/dbraw/zinc/80/49/72/462804972.db2.gz FAAQHULRNVUZSW-UHFFFAOYSA-N 1 2 346.362 2.330 20 5 EEBDLO CCCCCNC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744768 462820103 /nfs/dbraw/zinc/82/01/03/462820103.db2.gz SGAZXKWZKVUCCI-OAHLLOKOSA-N 1 2 348.447 2.412 20 5 EEBDLO Cc1ccc(C[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000590754414 468327183 /nfs/dbraw/zinc/32/71/83/468327183.db2.gz GDRSUMVJZFSKOD-UHFFFAOYSA-N 1 2 340.383 2.319 20 5 EEBDLO Cc1ccc(C[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000590754414 468327185 /nfs/dbraw/zinc/32/71/85/468327185.db2.gz GDRSUMVJZFSKOD-UHFFFAOYSA-N 1 2 340.383 2.319 20 5 EEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000023775876 463071706 /nfs/dbraw/zinc/07/17/06/463071706.db2.gz CEZOJGGQUKCAGP-OAHLLOKOSA-N 1 2 339.355 2.186 20 5 EEBDLO Cc1noc([C@H](C)N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000121272578 463108233 /nfs/dbraw/zinc/10/82/33/463108233.db2.gz PACOEDKVRPEONW-ZDUSSCGKSA-N 1 2 345.403 2.473 20 5 EEBDLO C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000122870280 463297660 /nfs/dbraw/zinc/29/76/60/463297660.db2.gz STZSJKIKCHMAIX-XJKSGUPXSA-N 1 2 328.372 2.444 20 5 EEBDLO C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000124523567 463433498 /nfs/dbraw/zinc/43/34/98/463433498.db2.gz QCZLCHYVWOWNKU-CZUORRHYSA-N 1 2 344.371 2.280 20 5 EEBDLO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc(-c2nc[nH]n2)no1 ZINC000184861561 463708754 /nfs/dbraw/zinc/70/87/54/463708754.db2.gz IRQCUKMMIZWPQU-GFCCVEGCSA-N 1 2 343.347 2.250 20 5 EEBDLO Cc1ccc(NC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000287045614 463783538 /nfs/dbraw/zinc/78/35/38/463783538.db2.gz SIQYPKWKPUVIHS-ZFWWWQNUSA-N 1 2 348.403 2.230 20 5 EEBDLO CCOc1cc(C[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276967462 463824350 /nfs/dbraw/zinc/82/43/50/463824350.db2.gz WIBCZPFREPKJNX-VXGBXAGGSA-N 1 2 344.433 2.247 20 5 EEBDLO CCOc1cc(C[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276967462 463824352 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CC(C)(C)c1nnc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000785867142 691496507 /nfs/dbraw/zinc/49/65/07/691496507.db2.gz SPWHIARYAPOVBK-UHFFFAOYSA-N 1 2 334.380 2.309 20 5 EEBDLO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000843805027 1188585454 /nfs/dbraw/zinc/58/54/54/1188585454.db2.gz MKGLQYXPOYBLBL-SNVBAGLBSA-N 1 2 347.331 2.074 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000874386044 1198880559 /nfs/dbraw/zinc/88/05/59/1198880559.db2.gz SAJAPBDYCWMOJT-UONOGXRCSA-N 1 2 335.404 2.051 20 5 EEBDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000886238485 1202483456 /nfs/dbraw/zinc/48/34/56/1202483456.db2.gz AXZVWKQFRFYBNO-GXTWGEPZSA-N 1 2 348.403 2.431 20 5 EEBDLO CC(C)(C)OC(=O)N1C[C@@H]2CC[N@@H+](Cc3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000886238485 1202483457 /nfs/dbraw/zinc/48/34/57/1202483457.db2.gz AXZVWKQFRFYBNO-GXTWGEPZSA-N 1 2 348.403 2.431 20 5 EEBDLO 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CCYRNZAUSJAMRA-UHFFFAOYSA-N 1 2 341.433 2.262 20 5 EEBDLO C[C@@H]1C[N@H+](CCNc2cccc(Br)c2[N+](=O)[O-])CCO1 ZINC000856727424 1293608533 /nfs/dbraw/zinc/60/85/33/1293608533.db2.gz MRGTWCZAZUONTI-SNVBAGLBSA-N 1 2 344.209 2.490 20 5 EEBDLO C[C@@H]1C[N@@H+](CCNc2cccc(Br)c2[N+](=O)[O-])CCO1 ZINC000856727424 1293608541 /nfs/dbraw/zinc/60/85/41/1293608541.db2.gz MRGTWCZAZUONTI-SNVBAGLBSA-N 1 2 344.209 2.490 20 5 EEBDLO O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217980145 1297542309 /nfs/dbraw/zinc/54/23/09/1297542309.db2.gz KLBLCROPBYXGDF-SVRRBLITSA-N 1 2 339.245 2.183 20 5 EEBDLO CCCSc1nc(O[C@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218314369 1297628162 /nfs/dbraw/zinc/62/81/62/1297628162.db2.gz IFFSSNCMYKGOBR-VIFPVBQESA-N 1 2 342.421 2.359 20 5 EEBDLO Cc1ccc(N2CCC[C@@H](Oc3[nH]ccc(=O)c3[N+](=O)[O-])C2)[nH+]c1 ZINC001225664939 1301115578 /nfs/dbraw/zinc/11/55/78/1301115578.db2.gz UTVCLCTZOWWNNM-GFCCVEGCSA-N 1 2 330.344 2.447 20 5 EEBDLO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCCCn1cc[nH+]c1 ZINC000784628503 1304516733 /nfs/dbraw/zinc/51/67/33/1304516733.db2.gz PMGUGXBORUCCLU-UHFFFAOYSA-N 1 2 348.315 2.266 20 5 EEBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)OCC1CN(c2cccc[nH+]2)C1 ZINC001122881125 1310419191 /nfs/dbraw/zinc/41/91/91/1310419191.db2.gz QPENBDANRWYURM-UHFFFAOYSA-N 1 2 342.355 2.325 20 5 EEBDLO COc1c(C(=O)OCC2CN(c3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000842888052 1315792789 /nfs/dbraw/zinc/79/27/89/1315792789.db2.gz ZZUNMXRIXXRLHW-UHFFFAOYSA-N 1 2 343.339 2.292 20 5 EEBDLO COC(=O)[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001254536449 1318113722 /nfs/dbraw/zinc/11/37/22/1318113722.db2.gz PALTUOCAVLGFBR-WBMJQRKESA-N 1 2 336.388 2.084 20 5 EEBDLO O=[N+]([O-])c1cccc(N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)n1 ZINC001165693076 1321567316 /nfs/dbraw/zinc/56/73/16/1321567316.db2.gz TVZKDJPXSLJKCN-CQSZACIVSA-N 1 2 343.387 2.249 20 5 EEBDLO Cc1cncc([N+](=O)[O-])c1NCc1cc[nH+]c(N2CCSCC2)c1 ZINC001330337442 1334825336 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20 5 EEBDLO Cc1nn(C[N@H+]2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000817374460 784722486 /nfs/dbraw/zinc/72/24/86/784722486.db2.gz JWIUCUQSVSEITD-AAEUAGOBSA-N 1 2 338.408 2.357 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NCCCN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001109633486 805780136 /nfs/dbraw/zinc/78/01/36/805780136.db2.gz DIZPGDRASUUOLH-UHFFFAOYSA-N 1 2 331.376 2.129 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)NC/C=C/CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107565931 787670797 /nfs/dbraw/zinc/67/07/97/787670797.db2.gz HMIMJQKHOIEPLO-OWOJBTEDSA-N 1 2 347.350 2.174 20 5 EEBDLO O=C(CCc1c[nH+]c[nH]1)NC/C=C/CNc1ccc(F)cc1[N+](=O)[O-] ZINC001107565931 787670802 /nfs/dbraw/zinc/67/08/02/787670802.db2.gz HMIMJQKHOIEPLO-OWOJBTEDSA-N 1 2 347.350 2.174 20 5 EEBDLO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)CCc1[nH+]ccn1C ZINC001109691507 805883574 /nfs/dbraw/zinc/88/35/74/805883574.db2.gz NVYPLOJMFKLUMS-UHFFFAOYSA-N 1 2 345.403 2.222 20 5 EEBDLO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 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2 342.355 2.064 20 5 EEBDLO O=C1NC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)CCN12 ZINC000091864614 218079425 /nfs/dbraw/zinc/07/94/25/218079425.db2.gz YIOWXMDJUIOZMP-LBPRGKRZSA-N 1 2 342.355 2.064 20 5 EEBDLO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000249045306 160371510 /nfs/dbraw/zinc/37/15/10/160371510.db2.gz HHCNKVMPNFDIKK-TYNCELHUSA-N 1 2 349.387 2.053 20 5 EEBDLO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000249045306 160371512 /nfs/dbraw/zinc/37/15/12/160371512.db2.gz HHCNKVMPNFDIKK-TYNCELHUSA-N 1 2 349.387 2.053 20 5 EEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000246384551 160277058 /nfs/dbraw/zinc/27/70/58/160277058.db2.gz JHJBMWWAVPKBCX-RHSMWYFYSA-N 1 2 348.355 2.001 20 5 EEBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H](c3ccco3)C2)c1 ZINC000246384551 160277059 /nfs/dbraw/zinc/27/70/59/160277059.db2.gz JHJBMWWAVPKBCX-RHSMWYFYSA-N 1 2 348.355 2.001 20 5 EEBDLO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1[nH+]ccn1C ZINC000343305394 161122551 /nfs/dbraw/zinc/12/25/51/161122551.db2.gz JLOCZTYVQTVGRJ-VIFPVBQESA-N 1 2 338.751 2.065 20 5 EEBDLO CCCCc1noc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000345651368 161319494 /nfs/dbraw/zinc/31/94/94/161319494.db2.gz YHMKJDFUMSASER-LBPRGKRZSA-N 1 2 346.391 2.402 20 5 EEBDLO CCCCc1noc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000345651368 161319495 /nfs/dbraw/zinc/31/94/95/161319495.db2.gz YHMKJDFUMSASER-LBPRGKRZSA-N 1 2 346.391 2.402 20 5 EEBDLO Cc1cnc(NC[C@@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000359672873 164150465 /nfs/dbraw/zinc/15/04/65/164150465.db2.gz KBZTYHKBGHLBPI-KGLIPLIRSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1cnc(NC[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000359672873 164150467 /nfs/dbraw/zinc/15/04/67/164150467.db2.gz KBZTYHKBGHLBPI-KGLIPLIRSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000364726482 165250054 /nfs/dbraw/zinc/25/00/54/165250054.db2.gz XMSGZQZMEBNRJN-LBPRGKRZSA-N 1 2 336.373 2.152 20 5 EEBDLO C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369672330 166311068 /nfs/dbraw/zinc/31/10/68/166311068.db2.gz ZDVNSDLZDADRKD-OKILXGFUSA-N 1 2 349.435 2.218 20 5 EEBDLO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCCn1cc[nH+]c1 ZINC000279067331 269260375 /nfs/dbraw/zinc/26/03/75/269260375.db2.gz FVKJRLYUVOUVMJ-UHFFFAOYSA-N 1 2 340.742 2.333 20 5 EEBDLO O=[N+]([O-])c1ccc2c(c1N1CC[NH+](Cc3ccccn3)CC1)CCN2 ZINC000275339241 274242947 /nfs/dbraw/zinc/24/29/47/274242947.db2.gz HFJCBBFWBLVPDR-UHFFFAOYSA-N 1 2 339.399 2.280 20 5 EEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](n4cccn4)C3)n2)c1 ZINC000291831193 275344463 /nfs/dbraw/zinc/34/44/63/275344463.db2.gz OFCXCNMVUNXMAE-CQSZACIVSA-N 1 2 340.343 2.288 20 5 EEBDLO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@@H](n4cccn4)C3)n2)c1 ZINC000291831193 275344465 /nfs/dbraw/zinc/34/44/65/275344465.db2.gz OFCXCNMVUNXMAE-CQSZACIVSA-N 1 2 340.343 2.288 20 5 EEBDLO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1n1cc[nH+]c1 ZINC000188347337 277746601 /nfs/dbraw/zinc/74/66/01/277746601.db2.gz KGSILVIWWPPZHF-IAQYHMDHSA-N 1 2 329.360 2.097 20 5 EEBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NCCCn1cc[nH+]c1 ZINC000282631938 292842660 /nfs/dbraw/zinc/84/26/60/292842660.db2.gz PBIUFNVKGCUQGU-UHFFFAOYSA-N 1 2 331.376 2.066 20 5 EEBDLO Cc1cc(N2CCC[C@@H](C(N)=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299389019 294732164 /nfs/dbraw/zinc/73/21/64/294732164.db2.gz FBNOGQOZMNDWSE-CYBMUJFWSA-N 1 2 341.371 2.062 20 5 EEBDLO Cc1nc([N+](=O)[O-])c(-c2noc(CCc3c[nH+]cc(C)c3)n2)n1C ZINC000350524834 312327107 /nfs/dbraw/zinc/32/71/07/312327107.db2.gz APAONCSXHQWWBP-UHFFFAOYSA-N 1 2 328.332 2.175 20 5 EEBDLO COCC(=O)N1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413070402 312782124 /nfs/dbraw/zinc/78/21/24/312782124.db2.gz YVBSMOMQFKIKPT-UHFFFAOYSA-N 1 2 344.371 2.192 20 5 EEBDLO C[NH+](C)CCOc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436956652 315016137 /nfs/dbraw/zinc/01/61/37/315016137.db2.gz OEOYJSYTWXVHBI-UHFFFAOYSA-N 1 2 345.355 2.493 20 5 EEBDLO CCCCOCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448811861 315386920 /nfs/dbraw/zinc/38/69/20/315386920.db2.gz SBVHVIJYCSKKSF-UHFFFAOYSA-N 1 2 332.360 2.327 20 5 EEBDLO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000581784526 324321421 /nfs/dbraw/zinc/32/14/21/324321421.db2.gz PMZPJAPWHRUELZ-HNNXBMFYSA-N 1 2 332.356 2.435 20 5 EEBDLO Cc1c(CNC(=O)NCCNc2cccc[nH+]2)cccc1[N+](=O)[O-] ZINC000358272511 465030416 /nfs/dbraw/zinc/03/04/16/465030416.db2.gz HLMYATDUVMAEAG-UHFFFAOYSA-N 1 2 329.360 2.210 20 5 EEBDLO CCCCNc1cc(NCc2cc([N+](=O)[O-])ccc2OC)nc(N)[nH+]1 ZINC000341588084 465246869 /nfs/dbraw/zinc/24/68/69/465246869.db2.gz QAYHIAANWZOMBM-UHFFFAOYSA-N 1 2 346.391 2.222 20 5 EEBDLO CCCCNc1cc(NCc2cc([N+](=O)[O-])ccc2OC)[nH+]c(N)n1 ZINC000341588084 465246872 /nfs/dbraw/zinc/24/68/72/465246872.db2.gz QAYHIAANWZOMBM-UHFFFAOYSA-N 1 2 346.391 2.222 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000339478038 465297076 /nfs/dbraw/zinc/29/70/76/465297076.db2.gz KJHKXTBUKNKWMY-LLVKDONJSA-N 1 2 339.355 2.439 20 5 EEBDLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000045445239 462587270 /nfs/dbraw/zinc/58/72/70/462587270.db2.gz YDZCFEMHVWVYJN-RYUDHWBXSA-N 1 2 330.344 2.030 20 5 EEBDLO O=C(C[N@@H+]1CC[C@@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000153648713 462675432 /nfs/dbraw/zinc/67/54/32/462675432.db2.gz OZUVULRGGLSHRW-OAHLLOKOSA-N 1 2 339.779 2.299 20 5 EEBDLO O=C(C[N@H+]1CC[C@@]2(CCOC2)C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000153648713 462675435 /nfs/dbraw/zinc/67/54/35/462675435.db2.gz OZUVULRGGLSHRW-OAHLLOKOSA-N 1 2 339.779 2.299 20 5 EEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1F)NCCc1cn2c([nH+]1)CCCC2 ZINC000129540715 462711921 /nfs/dbraw/zinc/71/19/21/462711921.db2.gz YRFIOPCWHDRQAI-UHFFFAOYSA-N 1 2 346.362 2.168 20 5 EEBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000065735531 462821668 /nfs/dbraw/zinc/82/16/68/462821668.db2.gz QICXGZVLCWHMPP-UHFFFAOYSA-N 1 2 340.343 2.139 20 5 EEBDLO O=C(NCCCNc1cccc[nH+]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000118724522 462848218 /nfs/dbraw/zinc/84/82/18/462848218.db2.gz WIARNAJQLGAQSC-UHFFFAOYSA-N 1 2 340.343 2.098 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000155930974 462960909 /nfs/dbraw/zinc/96/09/09/462960909.db2.gz AAMHJXQDPYONHB-LBPRGKRZSA-N 1 2 344.371 2.457 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000155930974 462960913 /nfs/dbraw/zinc/96/09/13/462960913.db2.gz AAMHJXQDPYONHB-LBPRGKRZSA-N 1 2 344.371 2.457 20 5 EEBDLO O=C(C[N@@H+]1CCc2ccccc2[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000133826637 462974583 /nfs/dbraw/zinc/97/45/83/462974583.db2.gz JZRQZKBKLYAOLK-KRWDZBQOSA-N 1 2 341.367 2.125 20 5 EEBDLO O=C(C[N@H+]1CCc2ccccc2[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000133826637 462974587 /nfs/dbraw/zinc/97/45/87/462974587.db2.gz JZRQZKBKLYAOLK-KRWDZBQOSA-N 1 2 341.367 2.125 20 5 EEBDLO O=[N+]([O-])c1c(N2CC[NH+](Cc3ccncc3)CC2)nc2sccn21 ZINC000052718545 463101487 /nfs/dbraw/zinc/10/14/87/463101487.db2.gz HMWWJWMPXXHRBN-UHFFFAOYSA-N 1 2 344.400 2.021 20 5 EEBDLO CS(=O)(=O)CCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135241586 463133270 /nfs/dbraw/zinc/13/32/70/463133270.db2.gz MFCIZQJFLZVQHG-UHFFFAOYSA-N 1 2 326.418 2.384 20 5 EEBDLO CS(=O)(=O)CCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135241586 463133274 /nfs/dbraw/zinc/13/32/74/463133274.db2.gz MFCIZQJFLZVQHG-UHFFFAOYSA-N 1 2 326.418 2.384 20 5 EEBDLO C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1n1cc[nH+]c1 ZINC000097097778 463322702 /nfs/dbraw/zinc/32/27/02/463322702.db2.gz FGLHTMZVQMHLOD-SMDDNHRTSA-N 1 2 330.344 2.220 20 5 EEBDLO CN(Cc1cccn1C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000160436991 463338438 /nfs/dbraw/zinc/33/84/38/463338438.db2.gz MHPYNXCMTGLSTM-UHFFFAOYSA-N 1 2 339.355 2.391 20 5 EEBDLO O=C(C[N@H+]1CCCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000070950392 463396650 /nfs/dbraw/zinc/39/66/50/463396650.db2.gz CMCYXBOUMPTFSF-LLVKDONJSA-N 1 2 341.795 2.424 20 5 EEBDLO O=C(C[N@@H+]1CCCC[C@@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000070950392 463396656 /nfs/dbraw/zinc/39/66/56/463396656.db2.gz CMCYXBOUMPTFSF-LLVKDONJSA-N 1 2 341.795 2.424 20 5 EEBDLO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000185315531 463800541 /nfs/dbraw/zinc/80/05/41/463800541.db2.gz GBHRZTMLOCZWJD-ZDUSSCGKSA-N 1 2 335.404 2.398 20 5 EEBDLO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000185315531 463800550 /nfs/dbraw/zinc/80/05/50/463800550.db2.gz GBHRZTMLOCZWJD-ZDUSSCGKSA-N 1 2 335.404 2.398 20 5 EEBDLO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc(Cc2ccccc2)no1 ZINC000185373415 463811090 /nfs/dbraw/zinc/81/10/90/463811090.db2.gz YDRWJVUXUMZASZ-GFCCVEGCSA-N 1 2 342.359 2.116 20 5 EEBDLO CC(C)c1n[nH]c(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000269342300 463958959 /nfs/dbraw/zinc/95/89/59/463958959.db2.gz HXPAAYUSHBILHM-UHFFFAOYSA-N 1 2 332.364 2.115 20 5 EEBDLO CC(C)c1[nH]nc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000269342300 463958965 /nfs/dbraw/zinc/95/89/65/463958965.db2.gz HXPAAYUSHBILHM-UHFFFAOYSA-N 1 2 332.364 2.115 20 5 EEBDLO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cnn(C)c1 ZINC000195518560 464068128 /nfs/dbraw/zinc/06/81/28/464068128.db2.gz IFPXLQQCGXJWQT-UHFFFAOYSA-N 1 2 331.376 2.097 20 5 EEBDLO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1cnn(C)c1 ZINC000195518560 464068133 /nfs/dbraw/zinc/06/81/33/464068133.db2.gz IFPXLQQCGXJWQT-UHFFFAOYSA-N 1 2 331.376 2.097 20 5 EEBDLO C[C@@H]1C[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000271553069 464330131 /nfs/dbraw/zinc/33/01/31/464330131.db2.gz PIANJVMABFKUKZ-CHWSQXEVSA-N 1 2 344.371 2.325 20 5 EEBDLO O=C(N1CC[NH+](C2CCC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272262788 464541845 /nfs/dbraw/zinc/54/18/45/464541845.db2.gz BKQKAYPZHJGQDH-UHFFFAOYSA-N 1 2 339.342 2.383 20 5 EEBDLO C[C@H]1CSCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190399513 464635135 /nfs/dbraw/zinc/63/51/35/464635135.db2.gz ZIDYCSNKUYDNCJ-GFCCVEGCSA-N 1 2 344.458 2.053 20 5 EEBDLO C[C@H]1CSCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000190399513 464635143 /nfs/dbraw/zinc/63/51/43/464635143.db2.gz ZIDYCSNKUYDNCJ-GFCCVEGCSA-N 1 2 344.458 2.053 20 5 EEBDLO O=C(NC[C@H]1CCCS1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176819833 464858692 /nfs/dbraw/zinc/85/86/92/464858692.db2.gz SZMOJSBZBHNJFG-GFCCVEGCSA-N 1 2 332.385 2.406 20 5 EEBDLO O=c1cc(C[N@@H+]2CCO[C@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000267408964 464930100 /nfs/dbraw/zinc/93/01/00/464930100.db2.gz SOLRNMOMUHUHOP-HNNXBMFYSA-N 1 2 325.364 2.139 20 5 EEBDLO O=c1cc(C[N@H+]2CCO[C@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000267408964 464930107 /nfs/dbraw/zinc/93/01/07/464930107.db2.gz SOLRNMOMUHUHOP-HNNXBMFYSA-N 1 2 325.364 2.139 20 5 EEBDLO CS(=O)(=O)CC1(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000348271756 465523593 /nfs/dbraw/zinc/52/35/93/465523593.db2.gz ODILWYSMAGBGPZ-UHFFFAOYSA-N 1 2 338.429 2.384 20 5 EEBDLO CS(=O)(=O)CC1(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000348271756 465523599 /nfs/dbraw/zinc/52/35/99/465523599.db2.gz ODILWYSMAGBGPZ-UHFFFAOYSA-N 1 2 338.429 2.384 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000340132838 465798147 /nfs/dbraw/zinc/79/81/47/465798147.db2.gz BMXSTGGIXRXMRI-CQSZACIVSA-N 1 2 343.387 2.070 20 5 EEBDLO NC(=O)C1CC[NH+](c2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000299682108 465853753 /nfs/dbraw/zinc/85/37/53/465853753.db2.gz LLAJWTPQBBYXLU-UHFFFAOYSA-N 1 2 341.371 2.435 20 5 EEBDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302140963 466103794 /nfs/dbraw/zinc/10/37/94/466103794.db2.gz DVSOMDGHNHTJKR-NSHDSACASA-N 1 2 344.362 2.244 20 5 EEBDLO O=[N+]([O-])c1cncc(Br)c1NCc1cn2ccccc2[nH+]1 ZINC000346824838 466179674 /nfs/dbraw/zinc/17/96/74/466179674.db2.gz GWTACDXYBVFQGQ-UHFFFAOYSA-N 1 2 348.160 2.434 20 5 EEBDLO COc1ccc(C[N@H+](C)CC(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000338720478 466334304 /nfs/dbraw/zinc/33/43/04/466334304.db2.gz DETRZBKXJUHTLW-UHFFFAOYSA-N 1 2 349.412 2.413 20 5 EEBDLO COc1ccc(C[N@@H+](C)CC(=O)NCc2cccs2)cc1[N+](=O)[O-] ZINC000338720478 466334306 /nfs/dbraw/zinc/33/43/06/466334306.db2.gz DETRZBKXJUHTLW-UHFFFAOYSA-N 1 2 349.412 2.413 20 5 EEBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@]1(CO)CCOC1 ZINC000600178641 468486309 /nfs/dbraw/zinc/48/63/09/468486309.db2.gz NGYOAOQTSZQMQR-MRXNPFEDSA-N 1 2 349.412 2.302 20 5 EEBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@]1(CO)CCOC1 ZINC000600178641 468486316 /nfs/dbraw/zinc/48/63/16/468486316.db2.gz NGYOAOQTSZQMQR-MRXNPFEDSA-N 1 2 349.412 2.302 20 5 EEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000340857053 466388009 /nfs/dbraw/zinc/38/80/09/466388009.db2.gz NKCVHIOHJLTJEP-CHWSQXEVSA-N 1 2 335.404 2.343 20 5 EEBDLO COc1cc(C(=O)NCc2cn3ccccc3[nH+]2)cc([N+](=O)[O-])c1C ZINC000358144736 466493622 /nfs/dbraw/zinc/49/36/22/466493622.db2.gz GDARUSPKMJSLGH-UHFFFAOYSA-N 1 2 340.339 2.490 20 5 EEBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000368511397 466653870 /nfs/dbraw/zinc/65/38/70/466653870.db2.gz ZIYFOPULWPVEFQ-HIFRSBDPSA-N 1 2 334.372 2.044 20 5 EEBDLO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000368511397 466653873 /nfs/dbraw/zinc/65/38/73/466653873.db2.gz ZIYFOPULWPVEFQ-HIFRSBDPSA-N 1 2 334.372 2.044 20 5 EEBDLO CC[NH+]1C[C@@H](C)N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000410855238 466751275 /nfs/dbraw/zinc/75/12/75/466751275.db2.gz VYXDUOFIOPAEOQ-GHMZBOCLSA-N 1 2 331.376 2.026 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412027901 466970400 /nfs/dbraw/zinc/97/04/00/466970400.db2.gz AQFMENYZNIBMPU-JBLDHEPKSA-N 1 2 341.795 2.278 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412027901 466970404 /nfs/dbraw/zinc/97/04/04/466970404.db2.gz AQFMENYZNIBMPU-JBLDHEPKSA-N 1 2 341.795 2.278 20 5 EEBDLO Cc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000414052544 467369826 /nfs/dbraw/zinc/36/98/26/467369826.db2.gz PULPIHXRYFHZAW-UHFFFAOYSA-N 1 2 335.404 2.086 20 5 EEBDLO CC[C@](C)(CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)OC ZINC000452738205 467417271 /nfs/dbraw/zinc/41/72/71/467417271.db2.gz JMWJSGYRICWRDB-MRXNPFEDSA-N 1 2 332.360 2.325 20 5 EEBDLO C[C@@H]1C[C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000454576820 467601932 /nfs/dbraw/zinc/60/19/32/467601932.db2.gz ISNXEAQETCRXQA-YPMHNXCESA-N 1 2 329.360 2.339 20 5 EEBDLO C[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)[C@@H](C)C[N@H+]1C ZINC000450542493 467867206 /nfs/dbraw/zinc/86/72/06/467867206.db2.gz UMJXZZJAHJTTOA-NEPJUHHUSA-N 1 2 343.387 2.150 20 5 EEBDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000494556637 468068172 /nfs/dbraw/zinc/06/81/72/468068172.db2.gz XKMNZHFVBUOKFK-CYBMUJFWSA-N 1 2 337.376 2.314 20 5 EEBDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000494556637 468068173 /nfs/dbraw/zinc/06/81/73/468068173.db2.gz XKMNZHFVBUOKFK-CYBMUJFWSA-N 1 2 337.376 2.314 20 5 EEBDLO COc1ccncc1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590067103 468210411 /nfs/dbraw/zinc/21/04/11/468210411.db2.gz BLRKQDLWQKLDIA-UHFFFAOYSA-N 1 2 331.328 2.059 20 5 EEBDLO O=C1N=NCN1C1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000583212356 468663608 /nfs/dbraw/zinc/66/36/08/468663608.db2.gz OKIWBQOWTQXDDR-UHFFFAOYSA-N 1 2 339.302 2.007 20 5 EEBDLO CCc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000610436785 468967779 /nfs/dbraw/zinc/96/77/79/468967779.db2.gz ZWYIJUZUJPORJC-UHFFFAOYSA-N 1 2 327.340 2.456 20 5 EEBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000593448297 468984410 /nfs/dbraw/zinc/98/44/10/468984410.db2.gz PKJPTDVHEJLLAR-GFCCVEGCSA-N 1 2 332.335 2.406 20 5 EEBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnnn2C2CC2)cc1[N+](=O)[O-] ZINC000611336488 469230636 /nfs/dbraw/zinc/23/06/36/469230636.db2.gz BZEQYDRWXMNHBF-JTQLQIEISA-N 1 2 332.364 2.166 20 5 EEBDLO COc1cc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596430257 469263805 /nfs/dbraw/zinc/26/38/05/469263805.db2.gz KVXOAUACQODPRJ-QWRGUYRKSA-N 1 2 327.356 2.264 20 5 EEBDLO COc1cc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000596430257 469263806 /nfs/dbraw/zinc/26/38/06/469263806.db2.gz KVXOAUACQODPRJ-QWRGUYRKSA-N 1 2 327.356 2.264 20 5 EEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](C3COC3)CC2)nc1-c1ccccc1 ZINC000611524947 469272298 /nfs/dbraw/zinc/27/22/98/469272298.db2.gz YCBSRRXIBTVFBX-UHFFFAOYSA-N 1 2 340.383 2.178 20 5 EEBDLO CC[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOC1 ZINC000616689547 469478345 /nfs/dbraw/zinc/47/83/45/469478345.db2.gz DVYLVSKESVQXAA-MRXNPFEDSA-N 1 2 330.344 2.079 20 5 EEBDLO Cc1cccn2cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3O)[nH+]c12 ZINC000613979611 469826641 /nfs/dbraw/zinc/82/66/41/469826641.db2.gz UYDUKUZDZDLZEM-UHFFFAOYSA-N 1 2 340.339 2.229 20 5 EEBDLO COc1ccc[nH+]c1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000609303829 469915611 /nfs/dbraw/zinc/91/56/11/469915611.db2.gz FDYURMUHTRBOCY-UHFFFAOYSA-N 1 2 348.384 2.022 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000774986306 577425446 /nfs/dbraw/zinc/42/54/46/577425446.db2.gz GZCJSKWAFRIVMO-NSHDSACASA-N 1 2 340.401 2.084 20 5 EEBDLO Cc1nn(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000761291725 577681164 /nfs/dbraw/zinc/68/11/64/577681164.db2.gz NMLMETJZSQEKLW-OAHLLOKOSA-N 1 2 346.387 2.438 20 5 EEBDLO Cc1nn(C[N@H+]2CCCC[C@@H]2C2OCCO2)c2cc([N+](=O)[O-])ccc12 ZINC000761291725 577681165 /nfs/dbraw/zinc/68/11/65/577681165.db2.gz NMLMETJZSQEKLW-OAHLLOKOSA-N 1 2 346.387 2.438 20 5 EEBDLO C[C@@H]1C[NH+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C[C@H]1C ZINC000751928698 577762465 /nfs/dbraw/zinc/76/24/65/577762465.db2.gz NWECZUIQDAERQZ-CHWSQXEVSA-N 1 2 328.372 2.364 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)OCc1cc[nH+]c(N(C)C)c1 ZINC000755675056 577829015 /nfs/dbraw/zinc/82/90/15/577829015.db2.gz AAMNTGKWYUMTIL-UHFFFAOYSA-N 1 2 331.328 2.421 20 5 EEBDLO C[N@H+](CC(F)F)C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000749288141 577974083 /nfs/dbraw/zinc/97/40/83/577974083.db2.gz VBZLBSACJCPUCO-UHFFFAOYSA-N 1 2 345.375 2.470 20 5 EEBDLO C[N@@H+](CC(F)F)C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000749288141 577974084 /nfs/dbraw/zinc/97/40/84/577974084.db2.gz VBZLBSACJCPUCO-UHFFFAOYSA-N 1 2 345.375 2.470 20 5 EEBDLO COc1c(C)c[nH+]c(COC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1C ZINC000736795096 578224064 /nfs/dbraw/zinc/22/40/64/578224064.db2.gz FPXYEPPLPIGLHQ-UHFFFAOYSA-N 1 2 334.332 2.014 20 5 EEBDLO C[C@H]1CSCC[N@@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000179243182 691074341 /nfs/dbraw/zinc/07/43/41/691074341.db2.gz NYBVCPVKGNZRLV-LBPRGKRZSA-N 1 2 336.417 2.232 20 5 EEBDLO C[C@H]1CSCC[N@H+]1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000179243182 691074344 /nfs/dbraw/zinc/07/43/44/691074344.db2.gz NYBVCPVKGNZRLV-LBPRGKRZSA-N 1 2 336.417 2.232 20 5 EEBDLO Cc1cc(N(C)CCN(C)C(=O)CCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC001105520650 1188145102 /nfs/dbraw/zinc/14/51/02/1188145102.db2.gz IJSKZRZOMLYAFU-UHFFFAOYSA-N 1 2 345.403 2.085 20 5 EEBDLO Cc1cn(C[N@@H+](C)[C@@H]2CCSC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000125214313 1199079909 /nfs/dbraw/zinc/07/99/09/1199079909.db2.gz TXZDWQDQGNLQQJ-CYBMUJFWSA-N 1 2 348.428 2.250 20 5 EEBDLO Cc1cn(C[N@H+](C)[C@@H]2CCSC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000125214313 1199079915 /nfs/dbraw/zinc/07/99/15/1199079915.db2.gz TXZDWQDQGNLQQJ-CYBMUJFWSA-N 1 2 348.428 2.250 20 5 EEBDLO COc1cccc(C[NH+]2CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC2)c1 ZINC000870159200 1200522970 /nfs/dbraw/zinc/52/29/70/1200522970.db2.gz WZGJETJEXHHJHE-UHFFFAOYSA-N 1 2 349.431 2.175 20 5 EEBDLO CCCCCCNC(=O)[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000133124439 1202171242 /nfs/dbraw/zinc/17/12/42/1202171242.db2.gz OTLLQDPPYDFKEN-CQSZACIVSA-N 1 2 337.424 2.157 20 5 EEBDLO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000133124439 1202171244 /nfs/dbraw/zinc/17/12/44/1202171244.db2.gz OTLLQDPPYDFKEN-CQSZACIVSA-N 1 2 337.424 2.157 20 5 EEBDLO C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000008474327 1205649234 /nfs/dbraw/zinc/64/92/34/1205649234.db2.gz NEZAIZCUUFGQGI-ZDUSSCGKSA-N 1 2 334.420 2.020 20 5 EEBDLO COCCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000930503680 1206563190 /nfs/dbraw/zinc/56/31/90/1206563190.db2.gz VXQWYYWAZGGTAL-UHFFFAOYSA-N 1 2 347.209 2.452 20 5 EEBDLO COCCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000930503680 1206563191 /nfs/dbraw/zinc/56/31/91/1206563191.db2.gz VXQWYYWAZGGTAL-UHFFFAOYSA-N 1 2 347.209 2.452 20 5 EEBDLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000930881778 1206590079 /nfs/dbraw/zinc/59/00/79/1206590079.db2.gz FSNFMBCWOCMLPR-ZDUSSCGKSA-N 1 2 336.392 2.136 20 5 EEBDLO Cc1cc(N(C)CCCNC(=O)CCc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC001095767954 1208500689 /nfs/dbraw/zinc/50/06/89/1208500689.db2.gz IAXADOOSXKZQKU-UHFFFAOYSA-N 1 2 345.403 2.202 20 5 EEBDLO Cc1cc(N(C)CCCNC(=O)CCc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC001095767954 1208500690 /nfs/dbraw/zinc/50/06/90/1208500690.db2.gz IAXADOOSXKZQKU-UHFFFAOYSA-N 1 2 345.403 2.202 20 5 EEBDLO CCC(=O)N1CCC2(CC1)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000949261301 1209598298 /nfs/dbraw/zinc/59/82/98/1209598298.db2.gz NHFNHDFOXKHVLN-UHFFFAOYSA-N 1 2 347.415 2.198 20 5 EEBDLO CCC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000949261301 1209598302 /nfs/dbraw/zinc/59/83/02/1209598302.db2.gz NHFNHDFOXKHVLN-UHFFFAOYSA-N 1 2 347.415 2.198 20 5 EEBDLO CCN(CCCNC(=O)CCn1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC001095950090 1232522347 /nfs/dbraw/zinc/52/23/47/1232522347.db2.gz URLOVXNFZQFNQT-UHFFFAOYSA-N 1 2 345.403 2.214 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)c1 ZINC001057433648 1243760067 /nfs/dbraw/zinc/76/00/67/1243760067.db2.gz NAWIYQDIEXRDQN-UHFFFAOYSA-N 1 2 343.387 2.272 20 5 EEBDLO CSCC(=O)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001072443320 1255167713 /nfs/dbraw/zinc/16/77/13/1255167713.db2.gz MGPQZWCTPPUNHQ-UHFFFAOYSA-N 1 2 341.458 2.054 20 5 EEBDLO CSCC(=O)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001072443320 1255167717 /nfs/dbraw/zinc/16/77/17/1255167717.db2.gz MGPQZWCTPPUNHQ-UHFFFAOYSA-N 1 2 341.458 2.054 20 5 EEBDLO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001218024434 1297550872 /nfs/dbraw/zinc/55/08/72/1297550872.db2.gz OBNVXOOIONRKHY-APPZFPTMSA-N 1 2 335.282 2.481 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)Oc1ccc(Br)c([N+](=O)[O-])c1 ZINC001225504611 1301027342 /nfs/dbraw/zinc/02/73/42/1301027342.db2.gz XRXANDXSGVPIMR-JTQLQIEISA-N 1 2 345.193 2.457 20 5 EEBDLO O=C(Cn1cc[nH+]c1)NC1(CNc2ccccc2[N+](=O)[O-])CCCC1 ZINC001103432965 1302954160 /nfs/dbraw/zinc/95/41/60/1302954160.db2.gz NMMMFRJBJFOPDH-UHFFFAOYSA-N 1 2 343.387 2.332 20 5 EEBDLO CC(C)C[C@H](O)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000780763521 1303699157 /nfs/dbraw/zinc/69/91/57/1303699157.db2.gz INKMZEJSZYWULX-JKSUJKDBSA-N 1 2 332.404 2.414 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N(C)CCCN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001112184108 1304304954 /nfs/dbraw/zinc/30/49/54/1304304954.db2.gz REJOOMJZZURMBZ-UHFFFAOYSA-N 1 2 345.403 2.154 20 5 EEBDLO C[N@@H+]1CCO[C@@H](COc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234362639 1304900651 /nfs/dbraw/zinc/90/06/51/1304900651.db2.gz BMPMHUGLCDYSBM-OAHLLOKOSA-N 1 2 335.404 2.295 20 5 EEBDLO C[N@H+]1CCO[C@@H](COc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234362639 1304900653 /nfs/dbraw/zinc/90/06/53/1304900653.db2.gz BMPMHUGLCDYSBM-OAHLLOKOSA-N 1 2 335.404 2.295 20 5 EEBDLO C[C@@H]1COCC[C@@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000835785868 1314949489 /nfs/dbraw/zinc/94/94/89/1314949489.db2.gz ZWQVAYCUKBPANV-ABAIWWIYSA-N 1 2 331.328 2.362 20 5 EEBDLO O=C(OC[C@@H]1CCC[C@@H](O)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000838102780 1315138515 /nfs/dbraw/zinc/13/85/15/1315138515.db2.gz XGXDNENIRIOLLK-TZMCWYRMSA-N 1 2 345.355 2.488 20 5 EEBDLO Cc1nc(Cl)nc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC001160720131 1320245993 /nfs/dbraw/zinc/24/59/93/1320245993.db2.gz MNOOFQAPFGSXSZ-MNOVXSKESA-N 1 2 341.799 2.012 20 5 EEBDLO Cc1noc(C[N@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC001307647154 1331544365 /nfs/dbraw/zinc/54/43/65/1331544365.db2.gz HUMFGWDHDQVEFW-NEPJUHHUSA-N 1 2 327.406 2.378 20 5 EEBDLO Cc1noc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC001307647154 1331544367 /nfs/dbraw/zinc/54/43/67/1331544367.db2.gz HUMFGWDHDQVEFW-NEPJUHHUSA-N 1 2 327.406 2.378 20 5 EEBDLO CO[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1OC ZINC001321884249 1333173247 /nfs/dbraw/zinc/17/32/47/1333173247.db2.gz RJDRXMJPRQJLBT-BETUJISGSA-N 1 2 345.193 2.203 20 5 EEBDLO CO[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1OC ZINC001321884249 1333173250 /nfs/dbraw/zinc/17/32/50/1333173250.db2.gz RJDRXMJPRQJLBT-BETUJISGSA-N 1 2 345.193 2.203 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(C(=O)OC)CC1 ZINC001324732299 1333748269 /nfs/dbraw/zinc/74/82/69/1333748269.db2.gz JNNHQZVDTSRQQR-UHFFFAOYSA-N 1 2 337.376 2.268 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(C(=O)OC)CC1 ZINC001324732299 1333748272 /nfs/dbraw/zinc/74/82/72/1333748272.db2.gz JNNHQZVDTSRQQR-UHFFFAOYSA-N 1 2 337.376 2.268 20 5 EEBDLO C[N@H+](CCC(F)(F)F)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609274552 1351918678 /nfs/dbraw/zinc/91/86/78/1351918678.db2.gz UGBQDJSDEOUIJU-UHFFFAOYSA-N 1 2 330.270 2.159 20 5 EEBDLO C[N@@H+](CCC(F)(F)F)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609274552 1351918681 /nfs/dbraw/zinc/91/86/81/1351918681.db2.gz UGBQDJSDEOUIJU-UHFFFAOYSA-N 1 2 330.270 2.159 20 5 EEBDLO Cc1ncsc1C[N@@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609457564 1351984744 /nfs/dbraw/zinc/98/47/44/1351984744.db2.gz CRZDTCXKJIXAFO-UHFFFAOYSA-N 1 2 345.388 2.172 20 5 EEBDLO Cc1ncsc1C[N@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609457564 1351984747 /nfs/dbraw/zinc/98/47/47/1351984747.db2.gz CRZDTCXKJIXAFO-UHFFFAOYSA-N 1 2 345.388 2.172 20 5 EEBDLO CN(Cc1ccccc1[N+](=O)[O-])c1nnc(C[NH+]2CCCCC2)n1C ZINC001339193600 1336973395 /nfs/dbraw/zinc/97/33/95/1336973395.db2.gz TYNBVSSUBPAIBQ-UHFFFAOYSA-N 1 2 344.419 2.346 20 5 EEBDLO Cc1ocnc1C(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980797278 775621639 /nfs/dbraw/zinc/62/16/39/775621639.db2.gz PYZFELCPCZAWFI-UHFFFAOYSA-N 1 2 344.371 2.239 20 5 EEBDLO Cc1ocnc1C(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980797278 775621642 /nfs/dbraw/zinc/62/16/42/775621642.db2.gz PYZFELCPCZAWFI-UHFFFAOYSA-N 1 2 344.371 2.239 20 5 EEBDLO O=C(c1cscn1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980825154 775742961 /nfs/dbraw/zinc/74/29/61/775742961.db2.gz BHCATXXBJHRTKB-UHFFFAOYSA-N 1 2 346.412 2.399 20 5 EEBDLO O=C(c1cscn1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980825154 775742972 /nfs/dbraw/zinc/74/29/72/775742972.db2.gz BHCATXXBJHRTKB-UHFFFAOYSA-N 1 2 346.412 2.399 20 5 EEBDLO Cc1ccc(N[C@H]2C[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC001091476530 790951274 /nfs/dbraw/zinc/95/12/74/790951274.db2.gz MEVUHTJCCBXGOR-JOCQHMNTSA-N 1 2 343.387 2.176 20 5 EEBDLO O=C(C(F)F)N1CCC2(C[NH+](Cc3csc([N+](=O)[O-])c3)C2)CC1 ZINC001035630212 784825579 /nfs/dbraw/zinc/82/55/79/784825579.db2.gz MTWKSSTXDSQBEC-UHFFFAOYSA-N 1 2 345.371 2.346 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NC/C=C\CNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001107173617 786219386 /nfs/dbraw/zinc/21/93/86/786219386.db2.gz NVEYZAXCDLNBLA-IHWYPQMZSA-N 1 2 343.387 2.343 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910790835 787030790 /nfs/dbraw/zinc/03/07/90/787030790.db2.gz SAJHTELBBAEJFJ-UHFFFAOYSA-N 1 2 327.340 2.288 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])o1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910790835 787030791 /nfs/dbraw/zinc/03/07/91/787030791.db2.gz SAJHTELBBAEJFJ-UHFFFAOYSA-N 1 2 327.340 2.288 20 5 EEBDLO Nc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000823994024 788013092 /nfs/dbraw/zinc/01/30/92/788013092.db2.gz NGEHPIVQCBQOIT-JTQLQIEISA-N 1 2 330.348 2.312 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845280597 789709278 /nfs/dbraw/zinc/70/92/78/789709278.db2.gz UEQZSMFCXCRXLM-LBPRGKRZSA-N 1 2 346.343 2.233 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000846018053 790024256 /nfs/dbraw/zinc/02/42/56/790024256.db2.gz KIVVPRAJBYUWRR-ZDUSSCGKSA-N 1 2 346.362 2.416 20 5 EEBDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@@H+]2[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235444 797313633 /nfs/dbraw/zinc/31/36/33/797313633.db2.gz XDVNOIPXCLKBOT-SDNTUTLCSA-N 1 2 348.399 2.178 20 5 EEBDLO COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)[N@H+]2[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235444 797313639 /nfs/dbraw/zinc/31/36/39/797313639.db2.gz XDVNOIPXCLKBOT-SDNTUTLCSA-N 1 2 348.399 2.178 20 5 EEBDLO C[C@@H]1OCC[C@H]1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000793424962 810345530 /nfs/dbraw/zinc/34/55/30/810345530.db2.gz WWGFZYCUDZBHIV-AAEUAGOBSA-N 1 2 331.328 2.362 20 5 EEBDLO C[N@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000364860120 283256106 /nfs/dbraw/zinc/25/61/06/283256106.db2.gz VQZHHRCMERNCPW-MRXNPFEDSA-N 1 2 347.396 2.060 20 5 EEBDLO C[N@@H+]1Cc2ccccc2[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000364860120 283256111 /nfs/dbraw/zinc/25/61/11/283256111.db2.gz VQZHHRCMERNCPW-MRXNPFEDSA-N 1 2 347.396 2.060 20 5 EEBDLO Cc1cc(NC(=O)NCC(C)(C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000193542478 240204947 /nfs/dbraw/zinc/20/49/47/240204947.db2.gz NAUOBKWOFOSFRU-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO Cc1nnsc1CN[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000426318948 241254854 /nfs/dbraw/zinc/25/48/54/241254854.db2.gz NEPZMYIXFDNJLU-AWEZNQCLSA-N 1 2 344.400 2.367 20 5 EEBDLO C[C@H](CO)CCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447816204 242319934 /nfs/dbraw/zinc/31/99/34/242319934.db2.gz JJVVSVNWPVTDNB-AWEZNQCLSA-N 1 2 337.420 2.248 20 5 EEBDLO C[C@@H]1CSC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451692598 243208094 /nfs/dbraw/zinc/20/80/94/243208094.db2.gz UXIFZGZVFUPGCF-PWSUYJOCSA-N 1 2 332.385 2.262 20 5 EEBDLO CCO[C@@H]1COC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451949719 243320243 /nfs/dbraw/zinc/32/02/43/243320243.db2.gz YBHYLOMBZPBIKZ-HUUCEWRRSA-N 1 2 333.344 2.143 20 5 EEBDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092437875 218141349 /nfs/dbraw/zinc/14/13/49/218141349.db2.gz IFZCBWZOTNXERJ-UHFFFAOYSA-N 1 2 334.376 2.368 20 5 EEBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000092437875 218141350 /nfs/dbraw/zinc/14/13/50/218141350.db2.gz IFZCBWZOTNXERJ-UHFFFAOYSA-N 1 2 334.376 2.368 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000131625464 533219019 /nfs/dbraw/zinc/21/90/19/533219019.db2.gz FAPLPZBENLAKQS-UHFFFAOYSA-N 1 2 344.433 2.249 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000131625464 533219025 /nfs/dbraw/zinc/21/90/25/533219025.db2.gz FAPLPZBENLAKQS-UHFFFAOYSA-N 1 2 344.433 2.249 20 5 EEBDLO O=C(C[N@@H+]1CCOCC12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000270571152 256149585 /nfs/dbraw/zinc/14/95/85/256149585.db2.gz AUVVJUQSFCHZJT-UHFFFAOYSA-N 1 2 345.399 2.129 20 5 EEBDLO O=C(C[N@H+]1CCOCC12CCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000270571152 256149586 /nfs/dbraw/zinc/14/95/86/256149586.db2.gz AUVVJUQSFCHZJT-UHFFFAOYSA-N 1 2 345.399 2.129 20 5 EEBDLO Cc1cnn([C@@H]2CC[N@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000352392698 162119058 /nfs/dbraw/zinc/11/90/58/162119058.db2.gz WEHMAPFNJSOZDE-OAHLLOKOSA-N 1 2 343.387 2.294 20 5 EEBDLO Cc1cnn([C@@H]2CC[N@@H+](CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 ZINC000352392698 162119060 /nfs/dbraw/zinc/11/90/60/162119060.db2.gz WEHMAPFNJSOZDE-OAHLLOKOSA-N 1 2 343.387 2.294 20 5 EEBDLO COCc1cc([N+](=O)[O-])ccc1N1CCC([C@H](O)c2[nH]cc[nH+]2)CC1 ZINC000369086149 166185871 /nfs/dbraw/zinc/18/58/71/166185871.db2.gz VFBWOSDABTUENQ-INIZCTEOSA-N 1 2 346.387 2.414 20 5 EEBDLO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C2CC2)O1 ZINC000370044050 166383853 /nfs/dbraw/zinc/38/38/53/166383853.db2.gz YNQFRFKGWOGFMC-JLZZUVOBSA-N 1 2 345.399 2.199 20 5 EEBDLO C[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C2CC2)O1 ZINC000370044050 166383855 /nfs/dbraw/zinc/38/38/55/166383855.db2.gz YNQFRFKGWOGFMC-JLZZUVOBSA-N 1 2 345.399 2.199 20 5 EEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000374365441 167027009 /nfs/dbraw/zinc/02/70/09/167027009.db2.gz KJYICTDTBSOEHM-LBPRGKRZSA-N 1 2 343.387 2.024 20 5 EEBDLO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374391753 167033910 /nfs/dbraw/zinc/03/39/10/167033910.db2.gz YBPYWZKCNDUQGY-AWEZNQCLSA-N 1 2 346.774 2.430 20 5 EEBDLO 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ZINC000295821156 464975966 /nfs/dbraw/zinc/97/59/66/464975966.db2.gz GKYKJBMDFJCKOH-GJZGRUSLSA-N 1 2 330.388 2.445 20 5 EEBDLO Cn1ccnc1[C@@H]1[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295821156 464975971 /nfs/dbraw/zinc/97/59/71/464975971.db2.gz GKYKJBMDFJCKOH-GJZGRUSLSA-N 1 2 330.388 2.445 20 5 EEBDLO Cn1ccnc1[C@@H]1[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295821156 464975975 /nfs/dbraw/zinc/97/59/75/464975975.db2.gz GKYKJBMDFJCKOH-GJZGRUSLSA-N 1 2 330.388 2.445 20 5 EEBDLO Cc1cc(N2CCN(C3=[NH+]CC(C)(C)S3)CC2)ncc1[N+](=O)[O-] ZINC000268225341 464981087 /nfs/dbraw/zinc/98/10/87/464981087.db2.gz UABVMGWFYQBQFJ-UHFFFAOYSA-N 1 2 335.433 2.302 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000192959778 465019043 /nfs/dbraw/zinc/01/90/43/465019043.db2.gz PRBNYWFCLZUAJP-HNNXBMFYSA-N 1 2 349.431 2.380 20 5 EEBDLO CCN1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000348368506 465571615 /nfs/dbraw/zinc/57/16/15/465571615.db2.gz SWDXFWUUMNQWGD-OAHLLOKOSA-N 1 2 345.403 2.076 20 5 EEBDLO CCN1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000348368506 465571617 /nfs/dbraw/zinc/57/16/17/465571617.db2.gz SWDXFWUUMNQWGD-OAHLLOKOSA-N 1 2 345.403 2.076 20 5 EEBDLO CNc1c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000360943372 465650307 /nfs/dbraw/zinc/65/03/07/465650307.db2.gz IZZSGVUKAZJSFF-LBPRGKRZSA-N 1 2 341.371 2.040 20 5 EEBDLO C[C@H](NC(=O)c1cc([N+](=O)[O-])nn1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000357036407 465718820 /nfs/dbraw/zinc/71/88/20/465718820.db2.gz KCXMVRQCUKKRSO-NSHDSACASA-N 1 2 340.343 2.005 20 5 EEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000362442529 465742583 /nfs/dbraw/zinc/74/25/83/465742583.db2.gz PYJCTDZMFCKECP-AWEZNQCLSA-N 1 2 328.372 2.336 20 5 EEBDLO Nc1c(F)c(N2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000348705370 465749462 /nfs/dbraw/zinc/74/94/62/465749462.db2.gz KLGLJCILNBFLBE-UHFFFAOYSA-N 1 2 331.351 2.033 20 5 EEBDLO Cc1cn2c([nH+]1)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])CCC2 ZINC000361189471 465825721 /nfs/dbraw/zinc/82/57/21/465825721.db2.gz QVLCEJRAHPMYNW-LBPRGKRZSA-N 1 2 329.360 2.188 20 5 EEBDLO Cn1cc(C[NH+]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000353464656 465904858 /nfs/dbraw/zinc/90/48/58/465904858.db2.gz UXWGGVOAPUGMPF-GQCTYLIASA-N 1 2 341.415 2.159 20 5 EEBDLO Cn1cc(CN2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000353464656 465904866 /nfs/dbraw/zinc/90/48/66/465904866.db2.gz UXWGGVOAPUGMPF-GQCTYLIASA-N 1 2 341.415 2.159 20 5 EEBDLO COc1cc(C[NH+]2CCC(O)(C(F)F)CC2)c([N+](=O)[O-])cc1F ZINC000331120981 465942469 /nfs/dbraw/zinc/94/24/69/465942469.db2.gz AZJUKESMXCVEJU-UHFFFAOYSA-N 1 2 334.294 2.335 20 5 EEBDLO CC[C@H](O)CCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000357526063 466103538 /nfs/dbraw/zinc/10/35/38/466103538.db2.gz DRJCNYDDGCUXDE-HNNXBMFYSA-N 1 2 337.420 2.390 20 5 EEBDLO Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000367087332 466122383 /nfs/dbraw/zinc/12/23/83/466122383.db2.gz XHEQDRQTCDDRLH-OAHLLOKOSA-N 1 2 326.356 2.085 20 5 EEBDLO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000340581677 466184776 /nfs/dbraw/zinc/18/47/76/466184776.db2.gz ZBUMNJPTFVBXNI-NSHDSACASA-N 1 2 327.331 2.173 20 5 EEBDLO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000340581677 466184780 /nfs/dbraw/zinc/18/47/80/466184780.db2.gz ZBUMNJPTFVBXNI-NSHDSACASA-N 1 2 327.331 2.173 20 5 EEBDLO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2ncc([N+](=O)[O-])cn2)cc1 ZINC000354523708 466628393 /nfs/dbraw/zinc/62/83/93/466628393.db2.gz RBXDSBQBOPETPL-INIZCTEOSA-N 1 2 343.387 2.179 20 5 EEBDLO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1F ZINC000375126062 466813920 /nfs/dbraw/zinc/81/39/20/466813920.db2.gz FTMFBRBJPPFZBS-NSHDSACASA-N 1 2 332.335 2.406 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000374163008 467019298 /nfs/dbraw/zinc/01/92/98/467019298.db2.gz NRIQGUPQQKCXML-HUUCEWRRSA-N 1 2 333.388 2.092 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000374163008 467019301 /nfs/dbraw/zinc/01/93/01/467019301.db2.gz NRIQGUPQQKCXML-HUUCEWRRSA-N 1 2 333.388 2.092 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000371042005 467078151 /nfs/dbraw/zinc/07/81/51/467078151.db2.gz HVGAPIRCNCAXTP-CYBMUJFWSA-N 1 2 343.387 2.146 20 5 EEBDLO O=C(NC1CC1)N[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413234341 467194825 /nfs/dbraw/zinc/19/48/25/467194825.db2.gz PBZABJQFAQBTIY-ZDUSSCGKSA-N 1 2 341.371 2.183 20 5 EEBDLO O=[N+]([O-])c1ccc2ccnc(NCC3([NH+]4CCOCC4)CC3)c2c1 ZINC000413265393 467200804 /nfs/dbraw/zinc/20/08/04/467200804.db2.gz NJMSZUREMJPBEB-UHFFFAOYSA-N 1 2 328.372 2.420 20 5 EEBDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000420922980 467514511 /nfs/dbraw/zinc/51/45/11/467514511.db2.gz GTRAUAABSLRUKW-NEPJUHHUSA-N 1 2 338.408 2.271 20 5 EEBDLO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000420922980 467514513 /nfs/dbraw/zinc/51/45/13/467514513.db2.gz GTRAUAABSLRUKW-NEPJUHHUSA-N 1 2 338.408 2.271 20 5 EEBDLO CO[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449955363 467750550 /nfs/dbraw/zinc/75/05/50/467750550.db2.gz YYKSHZLICALWOQ-XJKSGUPXSA-N 1 2 344.371 2.468 20 5 EEBDLO CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(C)C ZINC000450010310 467761008 /nfs/dbraw/zinc/76/10/08/467761008.db2.gz JFZJFZQVOMNQAQ-OAHLLOKOSA-N 1 2 332.360 2.181 20 5 EEBDLO CNc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000533577905 468215042 /nfs/dbraw/zinc/21/50/42/468215042.db2.gz WRFQWOJCEXYMMN-ZDUSSCGKSA-N 1 2 341.371 2.040 20 5 EEBDLO O=C(C[N@@H+]1CC[C@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000570507699 468648437 /nfs/dbraw/zinc/64/84/37/468648437.db2.gz NLWZAXLIHBMYHY-AWEZNQCLSA-N 1 2 326.356 2.418 20 5 EEBDLO O=C(C[N@H+]1CC[C@H](c2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000570507699 468648440 /nfs/dbraw/zinc/64/84/40/468648440.db2.gz NLWZAXLIHBMYHY-AWEZNQCLSA-N 1 2 326.356 2.418 20 5 EEBDLO CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593058239 468855534 /nfs/dbraw/zinc/85/55/34/468855534.db2.gz JZBQLYSBFDUNLV-AWEZNQCLSA-N 1 2 347.415 2.373 20 5 EEBDLO CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593058239 468855538 /nfs/dbraw/zinc/85/55/38/468855538.db2.gz JZBQLYSBFDUNLV-AWEZNQCLSA-N 1 2 347.415 2.373 20 5 EEBDLO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC2(CCOCC2)O1 ZINC000572208090 468899940 /nfs/dbraw/zinc/89/99/40/468899940.db2.gz MIEFBVNXPZHAFT-GFCCVEGCSA-N 1 2 346.387 2.241 20 5 EEBDLO C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC2(CCOCC2)O1 ZINC000572208090 468899945 /nfs/dbraw/zinc/89/99/45/468899945.db2.gz MIEFBVNXPZHAFT-GFCCVEGCSA-N 1 2 346.387 2.241 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000598650493 468945846 /nfs/dbraw/zinc/94/58/46/468945846.db2.gz YTGLFUFXMTXKMO-CYBMUJFWSA-N 1 2 335.404 2.325 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000598650493 468945850 /nfs/dbraw/zinc/94/58/50/468945850.db2.gz YTGLFUFXMTXKMO-CYBMUJFWSA-N 1 2 335.404 2.325 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H](CO)CC1CC1 ZINC000596492116 469283615 /nfs/dbraw/zinc/28/36/15/469283615.db2.gz LZFUGEMUWZDYJT-INIZCTEOSA-N 1 2 349.431 2.248 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000596843159 469378869 /nfs/dbraw/zinc/37/88/69/469378869.db2.gz QNKOJSCBUBESFR-STQMWFEESA-N 1 2 336.392 2.134 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000596843159 469378875 /nfs/dbraw/zinc/37/88/75/469378875.db2.gz QNKOJSCBUBESFR-STQMWFEESA-N 1 2 336.392 2.134 20 5 EEBDLO CCOc1cc(Cn2cc[nH+]c2CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000603420055 469389107 /nfs/dbraw/zinc/38/91/07/469389107.db2.gz DOHRGJWUIGTGKP-UHFFFAOYSA-N 1 2 346.387 2.071 20 5 EEBDLO CCc1nnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000612098976 469393219 /nfs/dbraw/zinc/39/32/19/469393219.db2.gz AIGVYFUEYXJBCE-SNVBAGLBSA-N 1 2 334.405 2.090 20 5 EEBDLO CCc1nnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000612098976 469393220 /nfs/dbraw/zinc/39/32/20/469393220.db2.gz AIGVYFUEYXJBCE-SNVBAGLBSA-N 1 2 334.405 2.090 20 5 EEBDLO C[C@]1(CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCOC1 ZINC000619153848 469538726 /nfs/dbraw/zinc/53/87/26/469538726.db2.gz TWKGALUBNMJZEY-QGZVFWFLSA-N 1 2 335.404 2.266 20 5 EEBDLO CCOc1cc(C[N@@H+]2CCN3C(=O)OCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000496232795 535672753 /nfs/dbraw/zinc/67/27/53/535672753.db2.gz IPNZLQKBQPEERU-ZDUSSCGKSA-N 1 2 335.360 2.020 20 5 EEBDLO CCOc1cc(C[N@H+]2CCN3C(=O)OCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000496232795 535672756 /nfs/dbraw/zinc/67/27/56/535672756.db2.gz IPNZLQKBQPEERU-ZDUSSCGKSA-N 1 2 335.360 2.020 20 5 EEBDLO Cc1cc(F)cc(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000756130391 577839054 /nfs/dbraw/zinc/83/90/54/577839054.db2.gz HMCCSYNOHVEGLT-NSHDSACASA-N 1 2 332.335 2.406 20 5 EEBDLO C[N@H+](CC(F)F)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000742237904 577869484 /nfs/dbraw/zinc/86/94/84/577869484.db2.gz SFQRQUJGHDPBLP-UHFFFAOYSA-N 1 2 327.331 2.396 20 5 EEBDLO C[N@@H+](CC(F)F)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000742237904 577869485 /nfs/dbraw/zinc/86/94/85/577869485.db2.gz SFQRQUJGHDPBLP-UHFFFAOYSA-N 1 2 327.331 2.396 20 5 EEBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000740759183 578107062 /nfs/dbraw/zinc/10/70/62/578107062.db2.gz RBGAJQGEJVDVNV-HNNXBMFYSA-N 1 2 332.360 2.129 20 5 EEBDLO O=[N+]([O-])c1ccc2c(cnn2C[N@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000740759183 578107063 /nfs/dbraw/zinc/10/70/63/578107063.db2.gz RBGAJQGEJVDVNV-HNNXBMFYSA-N 1 2 332.360 2.129 20 5 EEBDLO Cn1nccc1[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000933530562 676703034 /nfs/dbraw/zinc/70/30/34/676703034.db2.gz VKVKCKHDWPLAFO-QGZVFWFLSA-N 1 2 346.387 2.171 20 5 EEBDLO Cn1nccc1[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000933530562 676703035 /nfs/dbraw/zinc/70/30/35/676703035.db2.gz VKVKCKHDWPLAFO-QGZVFWFLSA-N 1 2 346.387 2.171 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\c1ccccc1 ZINC001029303527 683934866 /nfs/dbraw/zinc/93/48/66/683934866.db2.gz QOCJLAMFKQXUMZ-UURLNISCSA-N 1 2 341.411 2.040 20 5 EEBDLO CC[C@@H](C[NH+]1CCOCC1)Nc1cc(OC)c([N+](=O)[O-])cc1F ZINC000895801046 684730172 /nfs/dbraw/zinc/73/01/72/684730172.db2.gz DVCVVUKMPIEDKS-NSHDSACASA-N 1 2 327.356 2.265 20 5 EEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000874703913 1198952770 /nfs/dbraw/zinc/95/27/70/1198952770.db2.gz COUXFHHQBSDNDY-NSHDSACASA-N 1 2 341.795 2.089 20 5 EEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000874703913 1198952772 /nfs/dbraw/zinc/95/27/72/1198952772.db2.gz COUXFHHQBSDNDY-NSHDSACASA-N 1 2 341.795 2.089 20 5 EEBDLO C[N@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000809973820 1199168544 /nfs/dbraw/zinc/16/85/44/1199168544.db2.gz BEKCCEGDWOPREV-CYBMUJFWSA-N 1 2 335.187 2.485 20 5 EEBDLO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000809973820 1199168547 /nfs/dbraw/zinc/16/85/47/1199168547.db2.gz BEKCCEGDWOPREV-CYBMUJFWSA-N 1 2 335.187 2.485 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000867844054 1201692234 /nfs/dbraw/zinc/69/22/34/1201692234.db2.gz PCBZOYASYABSOU-LLVKDONJSA-N 1 2 332.335 2.487 20 5 EEBDLO O=C(OC[C@H]1CCC[C@H](O)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000795557224 1213862258 /nfs/dbraw/zinc/86/22/58/1213862258.db2.gz SGYWRLLJGZFKSI-JSGCOSHPSA-N 1 2 345.355 2.488 20 5 EEBDLO CCN(CCCNC(=O)Cc1c[nH]c[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC001095972817 1232832884 /nfs/dbraw/zinc/83/28/84/1232832884.db2.gz APNOVLBDOUEUDS-UHFFFAOYSA-N 1 2 349.366 2.032 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000902850087 1238702076 /nfs/dbraw/zinc/70/20/76/1238702076.db2.gz IHXUEMPGGOJGJF-UHFFFAOYSA-N 1 2 329.360 2.045 20 5 EEBDLO Cc1cc(NCCN(C)C(=O)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC001101662971 1246094699 /nfs/dbraw/zinc/09/46/99/1246094699.db2.gz KRIJMDFBPMIVLL-UHFFFAOYSA-N 1 2 345.403 2.450 20 5 EEBDLO Cc1noc(C[N@@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000852122522 1291999666 /nfs/dbraw/zinc/99/96/66/1291999666.db2.gz FHDHDLTXPYKRMN-UHFFFAOYSA-N 1 2 340.380 2.379 20 5 EEBDLO Cc1noc(C[N@H+](C)C2CC(NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000852122522 1291999671 /nfs/dbraw/zinc/99/96/71/1291999671.db2.gz FHDHDLTXPYKRMN-UHFFFAOYSA-N 1 2 340.380 2.379 20 5 EEBDLO O=C1OCCN1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000852723115 1292175833 /nfs/dbraw/zinc/17/58/33/1292175833.db2.gz PESNUXGRBAFKOQ-UHFFFAOYSA-N 1 2 346.343 2.153 20 5 EEBDLO C[C@@H]1Cc2c[nH+]ccc2N1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000857899666 1293946497 /nfs/dbraw/zinc/94/64/97/1293946497.db2.gz LMJAAIHRGBJHLI-GFCCVEGCSA-N 1 2 347.396 2.313 20 5 EEBDLO CC(C)(F)C(=O)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001072382570 1295590152 /nfs/dbraw/zinc/59/01/52/1295590152.db2.gz NMWLYRZBYOKIQP-UHFFFAOYSA-N 1 2 341.408 2.439 20 5 EEBDLO CC(C)(F)C(=O)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001072382570 1295590167 /nfs/dbraw/zinc/59/01/67/1295590167.db2.gz NMWLYRZBYOKIQP-UHFFFAOYSA-N 1 2 341.408 2.439 20 5 EEBDLO Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCCC[NH2+]C4)c3nc2cc1C ZINC001217971796 1297538094 /nfs/dbraw/zinc/53/80/94/1297538094.db2.gz XGZDXCTWFOVECM-GFCCVEGCSA-N 1 2 339.399 2.416 20 5 EEBDLO COCCCC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001226269035 1301329972 /nfs/dbraw/zinc/32/99/72/1301329972.db2.gz WAEULMBRHXVCBU-UHFFFAOYSA-N 1 2 341.433 2.164 20 5 EEBDLO CCCSc1nc(O[C@@H]2CCC[N@H+](CC)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229793002 1302945961 /nfs/dbraw/zinc/94/59/61/1302945961.db2.gz WJAWUJSENCJIKW-SNVBAGLBSA-N 1 2 342.421 2.456 20 5 EEBDLO CCCSc1nc(O[C@@H]2CCC[N@@H+](CC)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229793002 1302945965 /nfs/dbraw/zinc/94/59/65/1302945965.db2.gz WJAWUJSENCJIKW-SNVBAGLBSA-N 1 2 342.421 2.456 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CCC1 ZINC001111828961 1303959104 /nfs/dbraw/zinc/95/91/04/1303959104.db2.gz LLRWPWZQHYAAPS-UHFFFAOYSA-N 1 2 343.387 2.320 20 5 EEBDLO C[C@H](c1nc(CCNc2ccccc2[N+](=O)[O-])no1)n1cc[nH+]c1 ZINC001116610320 1305905950 /nfs/dbraw/zinc/90/59/50/1305905950.db2.gz UQXPUKXIAQDJRR-LLVKDONJSA-N 1 2 328.332 2.438 20 5 EEBDLO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000841693288 1315599114 /nfs/dbraw/zinc/59/91/14/1315599114.db2.gz VDVOXOJTAWJESA-GRYCIOLGSA-N 1 2 332.360 2.345 20 5 EEBDLO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000841693288 1315599118 /nfs/dbraw/zinc/59/91/18/1315599118.db2.gz VDVOXOJTAWJESA-GRYCIOLGSA-N 1 2 332.360 2.345 20 5 EEBDLO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001156784022 1318209686 /nfs/dbraw/zinc/20/96/86/1318209686.db2.gz MJMRUPKBOXAYFB-UHFFFAOYSA-N 1 2 339.355 2.359 20 5 EEBDLO COc1nc(N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)ccc1[N+](=O)[O-] ZINC001158624012 1319340428 /nfs/dbraw/zinc/34/04/28/1319340428.db2.gz KONLLLIFXYUYII-GFCCVEGCSA-N 1 2 342.346 2.308 20 5 EEBDLO Cc1ccc(-c2ccc(NC[C@@H]3COCC[N@H+]3C)nn2)cc1[N+](=O)[O-] ZINC001158707139 1319389564 /nfs/dbraw/zinc/38/95/64/1319389564.db2.gz IYORKBFLKNYVHQ-CQSZACIVSA-N 1 2 343.387 2.103 20 5 EEBDLO Cc1ccc(-c2ccc(NC[C@@H]3COCC[N@@H+]3C)nn2)cc1[N+](=O)[O-] ZINC001158707139 1319389570 /nfs/dbraw/zinc/38/95/70/1319389570.db2.gz IYORKBFLKNYVHQ-CQSZACIVSA-N 1 2 343.387 2.103 20 5 EEBDLO C[C@@H]1C[NH+](C2CN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C[C@@H](C)O1 ZINC001158727461 1319405092 /nfs/dbraw/zinc/40/50/92/1319405092.db2.gz LBBPJUTXCCNKBB-CHWSQXEVSA-N 1 2 342.399 2.441 20 5 EEBDLO CCOC(=O)n1nc2c(c1Nc1cccc([N+](=O)[O-])n1)C[NH2+]C2(C)C ZINC001159655323 1319936849 /nfs/dbraw/zinc/93/68/49/1319936849.db2.gz YDVXHQDDKUCTMU-UHFFFAOYSA-N 1 2 346.347 2.273 20 5 EEBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001319347344 1332689241 /nfs/dbraw/zinc/68/92/41/1332689241.db2.gz GDZYUOPEQTUUHZ-UHFFFAOYSA-N 1 2 325.328 2.214 20 5 EEBDLO C[N@H+](C[C@@H]1COCCO1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000853558467 1369349487 /nfs/dbraw/zinc/34/94/87/1369349487.db2.gz SLEAXIUHDUCUGV-LLVKDONJSA-N 1 2 339.373 2.177 20 5 EEBDLO C[N@@H+](C[C@@H]1COCCO1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000853558467 1369349491 /nfs/dbraw/zinc/34/94/91/1369349491.db2.gz SLEAXIUHDUCUGV-LLVKDONJSA-N 1 2 339.373 2.177 20 5 EEBDLO O=C(Cc1c[nH]c[nH+]1)NCC1(Nc2cccc(F)c2[N+](=O)[O-])CCC1 ZINC001111910717 1371303157 /nfs/dbraw/zinc/30/31/57/1371303157.db2.gz CEGPDAKGGZBINI-UHFFFAOYSA-N 1 2 347.350 2.151 20 5 EEBDLO CC(C)N(CCN(C)c1ccc([N+](=O)[O-])cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001125579641 760253504 /nfs/dbraw/zinc/25/35/04/760253504.db2.gz PNXIRAPOXLKZLF-UHFFFAOYSA-N 1 2 345.403 2.234 20 5 EEBDLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001091410917 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CCOC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000359815988 164176993 /nfs/dbraw/zinc/17/69/93/164176993.db2.gz VOEPNBTVYLWJFH-HOCLYGCPSA-N 1 2 336.388 2.085 20 5 EEBDLO O=C1NCCN1[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000369402046 166252781 /nfs/dbraw/zinc/25/27/81/166252781.db2.gz DBSDWUWDAWSFFD-ZDUSSCGKSA-N 1 2 338.795 2.238 20 5 EEBDLO O=C1NCCN1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000369402046 166252784 /nfs/dbraw/zinc/25/27/84/166252784.db2.gz DBSDWUWDAWSFFD-ZDUSSCGKSA-N 1 2 338.795 2.238 20 5 EEBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000376027271 167247527 /nfs/dbraw/zinc/24/75/27/167247527.db2.gz WXKLFTCXKRBXEZ-CQSZACIVSA-N 1 2 328.372 2.055 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OC)C1 ZINC000246112420 274095500 /nfs/dbraw/zinc/09/55/00/274095500.db2.gz LSLOPKUXVJTAGT-DGCLKSJQSA-N 1 2 337.376 2.041 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OC)C1 ZINC000246112420 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C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000264413847 464316121 /nfs/dbraw/zinc/31/61/21/464316121.db2.gz KBZYETPLXKFRMW-GWCFXTLKSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000264413847 464316127 /nfs/dbraw/zinc/31/61/27/464316127.db2.gz KBZYETPLXKFRMW-GWCFXTLKSA-N 1 2 341.795 2.422 20 5 EEBDLO CC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCO1 ZINC000281545450 464497438 /nfs/dbraw/zinc/49/74/38/464497438.db2.gz OAWQSVGFNXCODP-AWEZNQCLSA-N 1 2 344.371 2.422 20 5 EEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000181981298 464545490 /nfs/dbraw/zinc/54/54/90/464545490.db2.gz LMSCMZSFEAXERQ-DYVFJYSZSA-N 1 2 348.355 2.001 20 5 EEBDLO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000181981298 464545492 /nfs/dbraw/zinc/54/54/92/464545492.db2.gz LMSCMZSFEAXERQ-DYVFJYSZSA-N 1 2 348.355 2.001 20 5 EEBDLO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1S(C)(=O)=O 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CC[C@@H]1C[N@@H+](CCNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000362942100 466137385 /nfs/dbraw/zinc/13/73/85/466137385.db2.gz FQUOIDWMAIFFJC-CQSZACIVSA-N 1 2 336.392 2.136 20 5 EEBDLO COc1c(-c2nc([C@H]3C[N@@H+](C(C)C)CCO3)no2)cccc1[N+](=O)[O-] ZINC000346804941 466166164 /nfs/dbraw/zinc/16/61/64/466166164.db2.gz YYYMDJDFMVCZOU-CYBMUJFWSA-N 1 2 348.359 2.435 20 5 EEBDLO COc1c(-c2nc([C@H]3C[N@H+](C(C)C)CCO3)no2)cccc1[N+](=O)[O-] ZINC000346804941 466166175 /nfs/dbraw/zinc/16/61/75/466166175.db2.gz YYYMDJDFMVCZOU-CYBMUJFWSA-N 1 2 348.359 2.435 20 5 EEBDLO Cc1[nH]c(-c2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2)[nH+]c1C ZINC000363096691 466217762 /nfs/dbraw/zinc/21/77/62/466217762.db2.gz BZXKWEDPASNULR-UHFFFAOYSA-N 1 2 340.343 2.437 20 5 EEBDLO COc1ccc(CNC(=O)Cc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000338867079 466440071 /nfs/dbraw/zinc/44/00/71/466440071.db2.gz OWCIRGSQLKUTPU-UHFFFAOYSA-N 1 2 340.339 2.110 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000411848601 466916548 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340.811 2.484 20 5 EEBDLO CN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000452005709 467302263 /nfs/dbraw/zinc/30/22/63/467302263.db2.gz CVECRXYHFOJCFK-NSHDSACASA-N 1 2 340.811 2.484 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000430207420 467408500 /nfs/dbraw/zinc/40/85/00/467408500.db2.gz ZPKHNKUTTLWEDV-UHFFFAOYSA-N 1 2 342.399 2.316 20 5 EEBDLO CCn1cc[nH+]c1[C@@H](C)Nc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000450828934 467915394 /nfs/dbraw/zinc/91/53/94/467915394.db2.gz LHWMNWDGWWNMKJ-SNVBAGLBSA-N 1 2 338.389 2.388 20 5 EEBDLO C[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000487737750 468051481 /nfs/dbraw/zinc/05/14/81/468051481.db2.gz KWHXEFMKVLQRQY-YPMHNXCESA-N 1 2 329.360 2.167 20 5 EEBDLO O=C(NCc1ccc[nH+]c1N1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000597939804 468717962 /nfs/dbraw/zinc/71/79/62/468717962.db2.gz BYGPLCNJGRVQLB-UHFFFAOYSA-N 1 2 342.355 2.226 20 5 EEBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000601367774 468844304 /nfs/dbraw/zinc/84/43/04/468844304.db2.gz ZQDQPWAOYXPCSR-NSHDSACASA-N 1 2 330.319 2.138 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000598461017 468873433 /nfs/dbraw/zinc/87/34/33/468873433.db2.gz ZFZOAUYRZRGWEX-LBPRGKRZSA-N 1 2 332.360 2.283 20 5 EEBDLO CO[C@@H]1CC[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000572613108 468960043 /nfs/dbraw/zinc/96/00/43/468960043.db2.gz VGKIUAAKXRUBGW-LSDHHAIUSA-N 1 2 335.404 2.406 20 5 EEBDLO Cc1ccc(CCNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)c[nH+]1 ZINC000587975167 469097700 /nfs/dbraw/zinc/09/77/00/469097700.db2.gz ISCCAWWODJQJMH-UHFFFAOYSA-N 1 2 341.371 2.143 20 5 EEBDLO C[C@H](O)C[C@@H]1CCCN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000573289451 469098813 /nfs/dbraw/zinc/09/88/13/469098813.db2.gz PGWZEESCANQGAN-HOCLYGCPSA-N 1 2 349.431 2.167 20 5 EEBDLO O=C1[C@@H]([N@@H+]2Cc3ccc(O)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000599536532 469286249 /nfs/dbraw/zinc/28/62/49/469286249.db2.gz MMMMGYIKJDRJRQ-KRWDZBQOSA-N 1 2 339.351 2.422 20 5 EEBDLO O=C1[C@@H]([N@H+]2Cc3ccc(O)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000599536532 469286252 /nfs/dbraw/zinc/28/62/52/469286252.db2.gz MMMMGYIKJDRJRQ-KRWDZBQOSA-N 1 2 339.351 2.422 20 5 EEBDLO CC1(CO)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000619154670 469539890 /nfs/dbraw/zinc/53/98/90/469539890.db2.gz HLJVCGZKOHLRCJ-UHFFFAOYSA-N 1 2 349.431 2.026 20 5 EEBDLO O=C(CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000610079568 469979635 /nfs/dbraw/zinc/97/96/35/469979635.db2.gz XOSPDKUBTWZQAS-GFCCVEGCSA-N 1 2 347.293 2.187 20 5 EEBDLO O=C(CC[N@H+]1CCO[C@@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000610079568 469979639 /nfs/dbraw/zinc/97/96/39/469979639.db2.gz XOSPDKUBTWZQAS-GFCCVEGCSA-N 1 2 347.293 2.187 20 5 EEBDLO COC(=O)c1ccc([N+](=O)[O-])c(Oc2cc(-n3cc[nH+]c3)ncn2)c1 ZINC000610129245 469982562 /nfs/dbraw/zinc/98/25/62/469982562.db2.gz MQHIFJVFAPXKPY-UHFFFAOYSA-N 1 2 341.283 2.149 20 5 EEBDLO O=C(Nc1cccc2[nH+]ccn21)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000610210341 469988533 /nfs/dbraw/zinc/98/85/33/469988533.db2.gz KEFAJSFAQFGFOR-UHFFFAOYSA-N 1 2 340.295 2.266 20 5 EEBDLO O=C(NCCc1ccncc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000339140939 490745223 /nfs/dbraw/zinc/74/52/23/490745223.db2.gz HKGVULPFXXLLPZ-UHFFFAOYSA-N 1 2 337.339 2.148 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1 ZINC000174405543 534316752 /nfs/dbraw/zinc/31/67/52/534316752.db2.gz JVBCEWBBIFNABI-LBPRGKRZSA-N 1 2 348.428 2.152 20 5 EEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](C)[NH+]1CCSCC1)CC2 ZINC000773992323 577377266 /nfs/dbraw/zinc/37/72/66/577377266.db2.gz WILRVCVTXCAVTO-GFCCVEGCSA-N 1 2 335.429 2.230 20 5 EEBDLO Cc1cccn2cc(COC(=O)c3cccc([N+](=O)[O-])c3N)[nH+]c12 ZINC000758958028 577634284 /nfs/dbraw/zinc/63/42/84/577634284.db2.gz RNXUXTWXZHHDKG-UHFFFAOYSA-N 1 2 326.312 2.490 20 5 EEBDLO Cc1cc(F)cc(C(=O)NCc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000753091423 577781411 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330.373 2.468 20 5 EEBDLO C[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccccc1[N+](=O)[O-] ZINC000825953737 608532807 /nfs/dbraw/zinc/53/28/07/608532807.db2.gz OHGOXNDEFBDMDA-UHFFFAOYSA-N 1 2 330.373 2.468 20 5 EEBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/c1ccccc1 ZINC001029303526 683934976 /nfs/dbraw/zinc/93/49/76/683934976.db2.gz QOCJLAMFKQXUMZ-HDCSCYFTSA-N 1 2 341.411 2.040 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001059688278 688142468 /nfs/dbraw/zinc/14/24/68/688142468.db2.gz TXAZRCRHZGUFPL-TXEJJXNPSA-N 1 2 347.350 2.067 20 5 EEBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CC2(COC2)CC1=O ZINC000872566227 1198249307 /nfs/dbraw/zinc/24/93/07/1198249307.db2.gz WYGRPPOJTJEVLH-UHFFFAOYSA-N 1 2 333.388 2.012 20 5 EEBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CN1CC2(COC2)CC1=O ZINC000872566227 1198249312 /nfs/dbraw/zinc/24/93/12/1198249312.db2.gz WYGRPPOJTJEVLH-UHFFFAOYSA-N 1 2 333.388 2.012 20 5 EEBDLO CC[C@H](CO)[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000930366506 1205566512 /nfs/dbraw/zinc/56/65/12/1205566512.db2.gz GWCLTCUJMIXIPS-SECBINFHSA-N 1 2 329.194 2.486 20 5 EEBDLO CC[C@H](CO)[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000930366506 1205566514 /nfs/dbraw/zinc/56/65/14/1205566514.db2.gz GWCLTCUJMIXIPS-SECBINFHSA-N 1 2 329.194 2.486 20 5 EEBDLO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000931669454 1207437180 /nfs/dbraw/zinc/43/71/80/1207437180.db2.gz CGWMLCCVDWRVFN-ZDUSSCGKSA-N 1 2 330.768 2.116 20 5 EEBDLO C[C@H]1CCOCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000827828682 1248809205 /nfs/dbraw/zinc/80/92/05/1248809205.db2.gz DDSFOEYGFAZEEC-LBPRGKRZSA-N 1 2 330.344 2.032 20 5 EEBDLO O=[N+]([O-])CCSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1 ZINC000901365577 1235616078 /nfs/dbraw/zinc/61/60/78/1235616078.db2.gz PSTQCUVFLIJUAJ-UHFFFAOYSA-N 1 2 333.417 2.232 20 5 EEBDLO CCCCCC(=O)NCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096265787 1236864432 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CSc1nc(Cl)nc(NCc2cc[nH+]c(N)c2)c1[N+](=O)[O-] ZINC001156757331 1318197662 /nfs/dbraw/zinc/19/76/62/1318197662.db2.gz RZSLZQLSSOKZPN-UHFFFAOYSA-N 1 2 326.769 2.349 20 5 EEBDLO COC(=O)c1cc([N+](=O)[O-])cnc1NCCc1cn2ccccc2[nH+]1 ZINC001158142247 1319040824 /nfs/dbraw/zinc/04/08/24/1319040824.db2.gz JTFPWJWHAKQPNK-UHFFFAOYSA-N 1 2 341.327 2.079 20 5 EEBDLO CC(C)(C)c1cn(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)c[nH+]1 ZINC001307381708 1331532031 /nfs/dbraw/zinc/53/20/31/1331532031.db2.gz RAOALHPJEKFADO-UHFFFAOYSA-N 1 2 346.343 2.456 20 5 EEBDLO C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC[C@@H]21 ZINC001610134184 1352170851 /nfs/dbraw/zinc/17/08/51/1352170851.db2.gz YJCAZXXYUZBUAC-HIFRSBDPSA-N 1 2 333.388 2.209 20 5 EEBDLO C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC[C@@H]21 ZINC001610134184 1352170852 /nfs/dbraw/zinc/17/08/52/1352170852.db2.gz YJCAZXXYUZBUAC-HIFRSBDPSA-N 1 2 333.388 2.209 20 5 EEBDLO C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC[C@@H]21 ZINC001610134184 1352170853 /nfs/dbraw/zinc/17/08/53/1352170853.db2.gz YJCAZXXYUZBUAC-HIFRSBDPSA-N 1 2 333.388 2.209 20 5 EEBDLO C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC[C@@H]21 ZINC001610134184 1352170856 /nfs/dbraw/zinc/17/08/56/1352170856.db2.gz YJCAZXXYUZBUAC-HIFRSBDPSA-N 1 2 333.388 2.209 20 5 EEBDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852111762 1369250565 /nfs/dbraw/zinc/25/05/65/1369250565.db2.gz JFOZSILUJNRSQH-CYBMUJFWSA-N 1 2 325.340 2.397 20 5 EEBDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852111762 1369250570 /nfs/dbraw/zinc/25/05/70/1369250570.db2.gz JFOZSILUJNRSQH-CYBMUJFWSA-N 1 2 325.340 2.397 20 5 EEBDLO C[N@H+](CCc1nccs1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794635633 1369591335 /nfs/dbraw/zinc/59/13/35/1369591335.db2.gz FCQZZBHPWBZIFT-UHFFFAOYSA-N 1 2 334.357 2.091 20 5 EEBDLO C[N@@H+](CCc1nccs1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000794635633 1369591339 /nfs/dbraw/zinc/59/13/39/1369591339.db2.gz FCQZZBHPWBZIFT-UHFFFAOYSA-N 1 2 334.357 2.091 20 5 EEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](CCc3ccccn3)CC2)c(Cl)c1 ZINC001165054425 722008491 /nfs/dbraw/zinc/00/84/91/722008491.db2.gz MIGOAAFSUZAANZ-UHFFFAOYSA-N 1 2 347.806 2.403 20 5 EEBDLO Cc1ccc(NC/C=C/CNC(=O)CCc2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC001107565703 787669669 /nfs/dbraw/zinc/66/96/69/787669669.db2.gz DBAHIHWUVPHGFG-NSCUHMNNSA-N 1 2 343.387 2.343 20 5 EEBDLO Cc1ccc(NC/C=C/CNC(=O)CCc2c[nH+]c[nH]2)c([N+](=O)[O-])c1 ZINC001107565703 787669673 /nfs/dbraw/zinc/66/96/73/787669673.db2.gz DBAHIHWUVPHGFG-NSCUHMNNSA-N 1 2 343.387 2.343 20 5 EEBDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000030560497 794356654 /nfs/dbraw/zinc/35/66/54/794356654.db2.gz NNMWVVPTUWQDQS-LSDHHAIUSA-N 1 2 348.447 2.410 20 5 EEBDLO Cc1ccnc(NCCNC(=O)c2cc3c[nH+]ccc3[nH]2)c1[N+](=O)[O-] ZINC001094236150 796028048 /nfs/dbraw/zinc/02/80/48/796028048.db2.gz QQLXXDWGOMMSFZ-UHFFFAOYSA-N 1 2 340.343 2.016 20 5 EEBDLO O=C(CCCn1cc[nH+]c1)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110167314 797148812 /nfs/dbraw/zinc/14/88/12/797148812.db2.gz QDKYJKOTFNSYKK-UHFFFAOYSA-N 1 2 343.387 2.332 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCn3c(C)nnc3C2)c1F ZINC001173190548 797282231 /nfs/dbraw/zinc/28/22/31/797282231.db2.gz VOBILRCTBYFOFT-JTQLQIEISA-N 1 2 349.366 2.089 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCn3c(C)nnc3C2)c1F ZINC001173190548 797282235 /nfs/dbraw/zinc/28/22/35/797282235.db2.gz VOBILRCTBYFOFT-JTQLQIEISA-N 1 2 349.366 2.089 20 5 EEBDLO CC(C)(C)OC(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000916598712 797667754 /nfs/dbraw/zinc/66/77/54/797667754.db2.gz MGIHJDYIMDCKSS-UHFFFAOYSA-N 1 2 347.327 2.279 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000866982302 803499933 /nfs/dbraw/zinc/49/99/33/803499933.db2.gz NPZWLUSIWKAEMI-LBPRGKRZSA-N 1 2 332.335 2.026 20 5 EEBDLO C[C@H]1OCC[C@]12C[N@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C[C@@H](C)O2 ZINC000790396910 808690709 /nfs/dbraw/zinc/69/07/09/808690709.db2.gz SSRVDCCIYRLWAR-XNJGSVPQSA-N 1 2 346.387 2.170 20 5 EEBDLO C[C@H]1OCC[C@]12C[N@@H+](Cn1ncc3ccc([N+](=O)[O-])cc31)C[C@@H](C)O2 ZINC000790396910 808690714 /nfs/dbraw/zinc/69/07/14/808690714.db2.gz SSRVDCCIYRLWAR-XNJGSVPQSA-N 1 2 346.387 2.170 20 5 EEBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000805474792 811305753 /nfs/dbraw/zinc/30/57/53/811305753.db2.gz HCANTQBJLKQRKF-CYBMUJFWSA-N 1 2 328.752 2.012 20 5 EEBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000805474792 811305768 /nfs/dbraw/zinc/30/57/68/811305768.db2.gz HCANTQBJLKQRKF-CYBMUJFWSA-N 1 2 328.752 2.012 20 5 EEBDLO CC[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000072862931 216320414 /nfs/dbraw/zinc/32/04/14/216320414.db2.gz XDQXTJAATVRHNV-AWEZNQCLSA-N 1 2 335.429 2.311 20 5 EEBDLO CC[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000072862931 216320416 /nfs/dbraw/zinc/32/04/16/216320416.db2.gz XDQXTJAATVRHNV-AWEZNQCLSA-N 1 2 335.429 2.311 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(F)c1 ZINC000022682773 212315548 /nfs/dbraw/zinc/31/55/48/212315548.db2.gz YGTACIMDQGETMA-HNNXBMFYSA-N 1 2 347.346 2.472 20 5 EEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000451377699 243095680 /nfs/dbraw/zinc/09/56/80/243095680.db2.gz QESLFFHJGATDQM-GFCCVEGCSA-N 1 2 344.371 2.457 20 5 EEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000451377699 243095685 /nfs/dbraw/zinc/09/56/85/243095685.db2.gz QESLFFHJGATDQM-GFCCVEGCSA-N 1 2 344.371 2.457 20 5 EEBDLO CCn1cc[nH+]c1/C=C/C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000491971394 246236901 /nfs/dbraw/zinc/23/69/01/246236901.db2.gz HYRDKWKTJPIUTK-BQYQJAHWSA-N 1 2 342.355 2.114 20 5 EEBDLO CCn1cc[nH+]c1/C=C\C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000491971395 246237057 /nfs/dbraw/zinc/23/70/57/246237057.db2.gz HYRDKWKTJPIUTK-FPLPWBNLSA-N 1 2 342.355 2.114 20 5 EEBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCn2cc[nH+]c21 ZINC000492233470 246360449 /nfs/dbraw/zinc/36/04/49/246360449.db2.gz HYEUCXYGXYFYSH-LMVHVUTASA-N 1 2 326.356 2.498 20 5 EEBDLO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000266154244 248134094 /nfs/dbraw/zinc/13/40/94/248134094.db2.gz LNUUCOFUBSCUGH-UHFFFAOYSA-N 1 2 344.209 2.126 20 5 EEBDLO Cc1ccc(C[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] ZINC000093392150 218220717 /nfs/dbraw/zinc/22/07/17/218220717.db2.gz MSDZCPBINKKQDT-LBPRGKRZSA-N 1 2 326.418 2.301 20 5 EEBDLO Cc1ccc(C[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1[N+](=O)[O-] ZINC000093392150 218220718 /nfs/dbraw/zinc/22/07/18/218220718.db2.gz MSDZCPBINKKQDT-LBPRGKRZSA-N 1 2 326.418 2.301 20 5 EEBDLO CCOCC[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000264819559 256019313 /nfs/dbraw/zinc/01/93/13/256019313.db2.gz XDXLOARYVZYQJR-UHFFFAOYSA-N 1 2 347.371 2.135 20 5 EEBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000274035642 256347899 /nfs/dbraw/zinc/34/78/99/256347899.db2.gz QTVAWBIWAJEIHI-GFCCVEGCSA-N 1 2 338.795 2.284 20 5 EEBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000274035642 256347901 /nfs/dbraw/zinc/34/79/01/256347901.db2.gz QTVAWBIWAJEIHI-GFCCVEGCSA-N 1 2 338.795 2.284 20 5 EEBDLO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000273447968 256297365 /nfs/dbraw/zinc/29/73/65/256297365.db2.gz OAUVYXRUXLQCDY-JTQLQIEISA-N 1 2 341.414 2.176 20 5 EEBDLO COC(=O)C1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000154863335 533254984 /nfs/dbraw/zinc/25/49/84/533254984.db2.gz NGULZRNDIUFNHK-HNNXBMFYSA-N 1 2 336.388 2.484 20 5 EEBDLO COc1cccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000171824633 533482200 /nfs/dbraw/zinc/48/22/00/533482200.db2.gz IQTWRQXGJKWFGZ-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO Nc1nc(NCc2ccc(N3CCCCCC3)[nH+]c2)ncc1[N+](=O)[O-] ZINC000071955263 159038479 /nfs/dbraw/zinc/03/84/79/159038479.db2.gz WVLKKQJTTRPELR-UHFFFAOYSA-N 1 2 343.391 2.355 20 5 EEBDLO C[C@@H](CNC(=O)CCOc1ccccc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000081799707 159157167 /nfs/dbraw/zinc/15/71/67/159157167.db2.gz NXUVERDVMPPGJT-ZDUSSCGKSA-N 1 2 332.360 2.013 20 5 EEBDLO CCc1noc([C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000246156609 160265272 /nfs/dbraw/zinc/26/52/72/160265272.db2.gz NIEAJLNGMPPECG-WDEREUQCSA-N 1 2 332.364 2.183 20 5 EEBDLO CCc1noc([C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000246156609 160265273 /nfs/dbraw/zinc/26/52/73/160265273.db2.gz NIEAJLNGMPPECG-WDEREUQCSA-N 1 2 332.364 2.183 20 5 EEBDLO COC(=O)COc1ccc(CNc2c[nH+]ccc2OC)cc1[N+](=O)[O-] ZINC000352324762 162088044 /nfs/dbraw/zinc/08/80/44/162088044.db2.gz YZNXJTWGNDVANE-UHFFFAOYSA-N 1 2 347.327 2.162 20 5 EEBDLO O=C([C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-])N1CCSCC1 ZINC000364053094 165012329 /nfs/dbraw/zinc/01/23/29/165012329.db2.gz UISCTCBOSJWENC-HNNXBMFYSA-N 1 2 335.429 2.135 20 5 EEBDLO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-])N1CCSCC1 ZINC000364053094 165012330 /nfs/dbraw/zinc/01/23/30/165012330.db2.gz UISCTCBOSJWENC-HNNXBMFYSA-N 1 2 335.429 2.135 20 5 EEBDLO Cc1cc(S(=O)(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000364726491 165251019 /nfs/dbraw/zinc/25/10/19/165251019.db2.gz XQPIQFLUTCZEPE-ZDUSSCGKSA-N 1 2 336.373 2.152 20 5 EEBDLO C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)CC1 ZINC000272431471 268973449 /nfs/dbraw/zinc/97/34/49/268973449.db2.gz SCFFGOCPCQZWDV-CYBMUJFWSA-N 1 2 333.388 2.104 20 5 EEBDLO Cn1ccnc1[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000275112695 269095777 /nfs/dbraw/zinc/09/57/77/269095777.db2.gz DJFYIHNCVGUBBR-RBSFLKMASA-N 1 2 330.388 2.167 20 5 EEBDLO O=[N+]([O-])c1ccc2c(c1N1CC[NH+](Cc3cccnc3)CC1)CCN2 ZINC000275348984 269109108 /nfs/dbraw/zinc/10/91/08/269109108.db2.gz JDVQNGUYUOCADF-UHFFFAOYSA-N 1 2 339.399 2.280 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280133100 269330752 /nfs/dbraw/zinc/33/07/52/269330752.db2.gz CKTUTQDJYPJTLM-GUYCJALGSA-N 1 2 336.388 2.373 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280133100 269330754 /nfs/dbraw/zinc/33/07/54/269330754.db2.gz CKTUTQDJYPJTLM-GUYCJALGSA-N 1 2 336.388 2.373 20 5 EEBDLO CCOc1cc(C[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000280271721 269345365 /nfs/dbraw/zinc/34/53/65/269345365.db2.gz CUNSSMZJRPTIBU-CXAGYDPISA-N 1 2 336.388 2.373 20 5 EEBDLO CCOc1cc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000280271721 269345367 /nfs/dbraw/zinc/34/53/67/269345367.db2.gz CUNSSMZJRPTIBU-CXAGYDPISA-N 1 2 336.388 2.373 20 5 EEBDLO Cc1cc(OCC(=O)NCc2ccc(N(C)C)[nH+]c2)ccc1[N+](=O)[O-] ZINC000280564311 269373698 /nfs/dbraw/zinc/37/36/98/269373698.db2.gz OCZGIXVXRIKBLK-UHFFFAOYSA-N 1 2 344.371 2.059 20 5 EEBDLO CC1(C)C[NH+]=C(N2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)S1 ZINC000288044397 275018020 /nfs/dbraw/zinc/01/80/20/275018020.db2.gz XMBOBBWWTNVFDM-UHFFFAOYSA-N 1 2 335.433 2.180 20 5 EEBDLO COc1cncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000290256238 275192801 /nfs/dbraw/zinc/19/28/01/275192801.db2.gz KGBFPCHUACGKKH-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO CC(C)(C(=O)N1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1F ZINC000290866753 275247437 /nfs/dbraw/zinc/24/74/37/275247437.db2.gz CFJVITYAJMGYJU-UHFFFAOYSA-N 1 2 332.335 2.250 20 5 EEBDLO Cc1c(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000104977004 280244782 /nfs/dbraw/zinc/24/47/82/280244782.db2.gz QDCXUIUERIGPBF-OLZOCXBDSA-N 1 2 336.392 2.134 20 5 EEBDLO CC1(C)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@H]1O ZINC000447814204 281266370 /nfs/dbraw/zinc/26/63/70/281266370.db2.gz WSNBXZMHLNUZFW-QGZVFWFLSA-N 1 2 349.431 2.024 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1N(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000295835341 293829752 /nfs/dbraw/zinc/82/97/52/293829752.db2.gz IWSPETOMGLHGKS-OAHLLOKOSA-N 1 2 328.372 2.481 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1N(C(=O)Nc2ccncc2[N+](=O)[O-])CC1(C)C ZINC000297742310 294328783 /nfs/dbraw/zinc/32/87/83/294328783.db2.gz LATBSAALNWXPIQ-LBPRGKRZSA-N 1 2 330.348 2.338 20 5 EEBDLO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]2c2[nH]cc[nH+]2)s1 ZINC000363669971 295555175 /nfs/dbraw/zinc/55/51/75/295555175.db2.gz DMALRFQAGPXJGZ-MRVPVSSYSA-N 1 2 342.402 2.124 20 5 EEBDLO NC(=O)c1ccc(C[N@@H+]2CCc3cccc(F)c3C2)c([N+](=O)[O-])c1 ZINC000158083826 311324015 /nfs/dbraw/zinc/32/40/15/311324015.db2.gz ANSMYRSPVXXHPA-UHFFFAOYSA-N 1 2 329.331 2.391 20 5 EEBDLO NC(=O)c1ccc(C[N@H+]2CCc3cccc(F)c3C2)c([N+](=O)[O-])c1 ZINC000158083826 311324018 /nfs/dbraw/zinc/32/40/18/311324018.db2.gz ANSMYRSPVXXHPA-UHFFFAOYSA-N 1 2 329.331 2.391 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000170871358 311397636 /nfs/dbraw/zinc/39/76/36/311397636.db2.gz ULSIUNCJCVJFGW-UHFFFAOYSA-N 1 2 326.312 2.181 20 5 EEBDLO Cc1cc(N[C@H]2CCN(C)C(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000302776672 311549413 /nfs/dbraw/zinc/54/94/13/311549413.db2.gz OYZAISAANJKUIW-ZDUSSCGKSA-N 1 2 341.371 2.393 20 5 EEBDLO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000436733734 314993216 /nfs/dbraw/zinc/99/32/16/314993216.db2.gz IWCPYPVHYMCJLV-OAHLLOKOSA-N 1 2 347.346 2.472 20 5 EEBDLO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436984799 315019257 /nfs/dbraw/zinc/01/92/57/315019257.db2.gz ZYWNXGXCGVLCSR-ZDUSSCGKSA-N 1 2 333.388 2.104 20 5 EEBDLO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436984799 315019259 /nfs/dbraw/zinc/01/92/59/315019259.db2.gz ZYWNXGXCGVLCSR-ZDUSSCGKSA-N 1 2 333.388 2.104 20 5 EEBDLO Cc1[nH+]c2cc(NC(=O)CCn3cc([N+](=O)[O-])cn3)ccc2n1C ZINC000524698683 317022662 /nfs/dbraw/zinc/02/26/62/317022662.db2.gz AVQLMPRHDMYATH-UHFFFAOYSA-N 1 2 328.332 2.015 20 5 EEBDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000546592056 318254048 /nfs/dbraw/zinc/25/40/48/318254048.db2.gz FVCCCOPLXACFDC-OAHLLOKOSA-N 1 2 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CNC(=O)c1ccc(NCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000053572610 463175560 /nfs/dbraw/zinc/17/55/60/463175560.db2.gz YOHRHLCITZSUEO-UHFFFAOYSA-N 1 2 329.360 2.264 20 5 EEBDLO O=[N+]([O-])c1ccc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)cn1 ZINC000079024178 463180945 /nfs/dbraw/zinc/18/09/45/463180945.db2.gz MRWSRSKNDNYCAZ-MRXNPFEDSA-N 1 2 328.372 2.475 20 5 EEBDLO C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1n1cc[nH+]c1 ZINC000097097772 463322409 /nfs/dbraw/zinc/32/24/09/463322409.db2.gz FGLHTMZVQMHLOD-RISCZKNCSA-N 1 2 330.344 2.220 20 5 EEBDLO CCn1cc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000072982086 463569703 /nfs/dbraw/zinc/56/97/03/463569703.db2.gz NCAZKVWBSPMLTQ-GFCCVEGCSA-N 1 2 331.376 2.270 20 5 EEBDLO CCn1cc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000072982086 463569708 /nfs/dbraw/zinc/56/97/08/463569708.db2.gz NCAZKVWBSPMLTQ-GFCCVEGCSA-N 1 2 331.376 2.270 20 5 EEBDLO CC1(C)C[N@H+](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000170629452 463686742 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CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000189522943 464524898 /nfs/dbraw/zinc/52/48/98/464524898.db2.gz ZSWKJSAVTXJUKP-GFCCVEGCSA-N 1 2 340.273 2.488 20 5 EEBDLO CO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1OC ZINC000294697627 464578727 /nfs/dbraw/zinc/57/87/27/464578727.db2.gz UGKUXROYCVRVLX-BETUJISGSA-N 1 2 334.294 2.459 20 5 EEBDLO CO[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1OC ZINC000294697627 464578731 /nfs/dbraw/zinc/57/87/31/464578731.db2.gz UGKUXROYCVRVLX-BETUJISGSA-N 1 2 334.294 2.459 20 5 EEBDLO CCn1cc[nH+]c1/C=C\C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000492409595 468411091 /nfs/dbraw/zinc/41/10/91/468411091.db2.gz PTVRMTJJCITZGN-WAYWQWQTSA-N 1 2 326.356 2.409 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000282336822 464780331 /nfs/dbraw/zinc/78/03/31/464780331.db2.gz LWJXWFSUKKGDJL-DGCLKSJQSA-N 1 2 337.376 2.041 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000282336822 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ZINC000349250755 466037440 /nfs/dbraw/zinc/03/74/40/466037440.db2.gz ZFMJBDGMMAYEPT-VHSXEESVSA-N 1 2 334.332 2.269 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccon1 ZINC000349250756 466038385 /nfs/dbraw/zinc/03/83/85/466038385.db2.gz ZFMJBDGMMAYEPT-ZJUUUORDSA-N 1 2 334.332 2.269 20 5 EEBDLO CC(C)c1ccc(C[NH2+]Cc2nnnn2CC2CC2)cc1[N+](=O)[O-] ZINC000349597420 466156886 /nfs/dbraw/zinc/15/68/86/466156886.db2.gz JCRNAZUQKYGYNB-UHFFFAOYSA-N 1 2 330.392 2.405 20 5 EEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cccc(F)c1 ZINC000340578059 466182419 /nfs/dbraw/zinc/18/24/19/466182419.db2.gz JIUCPPNVZWNCMQ-CQSZACIVSA-N 1 2 343.318 2.315 20 5 EEBDLO CC[C@@H](CCO)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000350517226 466525929 /nfs/dbraw/zinc/52/59/29/466525929.db2.gz XPXXKOMQDVFZAY-AWEZNQCLSA-N 1 2 337.420 2.248 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000365196424 466741517 /nfs/dbraw/zinc/74/15/17/466741517.db2.gz HNZZPJITSPGNHG-CQSZACIVSA-N 1 2 328.372 2.277 20 5 EEBDLO COc1cc(OCC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000375065030 466793719 /nfs/dbraw/zinc/79/37/19/466793719.db2.gz KKICBVLLUAJABF-CYBMUJFWSA-N 1 2 346.343 2.069 20 5 EEBDLO CC(C)c1n[nH]c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000433937564 467365647 /nfs/dbraw/zinc/36/56/47/467365647.db2.gz WCJAULLTKSUEAT-JTQLQIEISA-N 1 2 332.364 2.184 20 5 EEBDLO CC(C)c1[nH]nc(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000433937564 467365649 /nfs/dbraw/zinc/36/56/49/467365649.db2.gz WCJAULLTKSUEAT-JTQLQIEISA-N 1 2 332.364 2.184 20 5 EEBDLO COc1ccc(OCC[N@H+](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000430263668 467414706 /nfs/dbraw/zinc/41/47/06/467414706.db2.gz OTDSSDQKCDBFBP-UHFFFAOYSA-N 1 2 340.376 2.256 20 5 EEBDLO COc1ccc(OCC[N@@H+](C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000430263668 467414709 /nfs/dbraw/zinc/41/47/09/467414709.db2.gz OTDSSDQKCDBFBP-UHFFFAOYSA-N 1 2 340.376 2.256 20 5 EEBDLO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](C)C1 ZINC000436792129 467554758 /nfs/dbraw/zinc/55/47/58/467554758.db2.gz MIWCJEVDHVNRBW-HUBLWGQQSA-N 1 2 333.388 2.103 20 5 EEBDLO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](C)C1 ZINC000436792129 467554760 /nfs/dbraw/zinc/55/47/60/467554760.db2.gz MIWCJEVDHVNRBW-HUBLWGQQSA-N 1 2 333.388 2.103 20 5 EEBDLO CC[C@@H](O)CCCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450053524 467769022 /nfs/dbraw/zinc/76/90/22/467769022.db2.gz RMFRKOSHZFXEQQ-CYBMUJFWSA-N 1 2 332.360 2.061 20 5 EEBDLO COCCC1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000450158743 467788998 /nfs/dbraw/zinc/78/89/98/467788998.db2.gz BZBVLMHRANPBLN-UHFFFAOYSA-N 1 2 344.371 2.327 20 5 EEBDLO O=C(C=Cc1c[nH]c[nH+]1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000493746116 467974413 /nfs/dbraw/zinc/97/44/13/467974413.db2.gz BEWMWZRHVYNVLJ-DAFODLJHSA-N 1 2 325.328 2.171 20 5 EEBDLO CO[C@H]1CN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1OC ZINC000487083937 468022257 /nfs/dbraw/zinc/02/22/57/468022257.db2.gz MBZUASADPUSGIV-GJZGRUSLSA-N 1 2 344.371 2.210 20 5 EEBDLO C[C@H]1C[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CO1 ZINC000597996274 468734150 /nfs/dbraw/zinc/73/41/50/468734150.db2.gz IGANTBPYFMNSLB-QWRGUYRKSA-N 1 2 341.795 2.087 20 5 EEBDLO C[C@H]1C[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)CO1 ZINC000597996274 468734155 /nfs/dbraw/zinc/73/41/55/468734155.db2.gz IGANTBPYFMNSLB-QWRGUYRKSA-N 1 2 341.795 2.087 20 5 EEBDLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598000958 468736227 /nfs/dbraw/zinc/73/62/27/468736227.db2.gz WIFUNONFYXABQI-MNOVXSKESA-N 1 2 341.795 2.087 20 5 EEBDLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000598000958 468736232 /nfs/dbraw/zinc/73/62/32/468736232.db2.gz WIFUNONFYXABQI-MNOVXSKESA-N 1 2 341.795 2.087 20 5 EEBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1COCCO1 ZINC000595734743 468976913 /nfs/dbraw/zinc/97/69/13/468976913.db2.gz ATTAXRKBHXJAKS-HNNXBMFYSA-N 1 2 333.344 2.097 20 5 EEBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1COCCO1 ZINC000595734743 468976916 /nfs/dbraw/zinc/97/69/16/468976916.db2.gz ATTAXRKBHXJAKS-HNNXBMFYSA-N 1 2 333.344 2.097 20 5 EEBDLO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCCCNc1cccc[nH+]1 ZINC000593478785 468998802 /nfs/dbraw/zinc/99/88/02/468998802.db2.gz HKPKZSYMTMFSRG-UHFFFAOYSA-N 1 2 332.335 2.290 20 5 EEBDLO C[C@@H](O)C[C@H]1CCCN1c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000573289449 469099107 /nfs/dbraw/zinc/09/91/07/469099107.db2.gz PGWZEESCANQGAN-GDBMZVCRSA-N 1 2 349.431 2.167 20 5 EEBDLO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000611298979 469224334 /nfs/dbraw/zinc/22/43/34/469224334.db2.gz DOZMXNPSCGUTIJ-RKDXNWHRSA-N 1 2 329.198 2.281 20 5 EEBDLO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1ncc([N+](=O)[O-])cc1Br ZINC000611298979 469224338 /nfs/dbraw/zinc/22/43/38/469224338.db2.gz DOZMXNPSCGUTIJ-RKDXNWHRSA-N 1 2 329.198 2.281 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@@H]1CCCCO1 ZINC000619153426 469538841 /nfs/dbraw/zinc/53/88/41/469538841.db2.gz MLIWABOXMQHCES-HNNXBMFYSA-N 1 2 335.404 2.408 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@H](c2ccccc2Cl)C1 ZINC000619778308 469681016 /nfs/dbraw/zinc/68/10/16/469681016.db2.gz RVMRYUGMKUEUID-AWEZNQCLSA-N 1 2 348.790 2.373 20 5 EEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000610367358 470007810 /nfs/dbraw/zinc/00/78/10/470007810.db2.gz BHEBWPGXPKURJW-CQSZACIVSA-N 1 2 332.404 2.489 20 5 EEBDLO O=[N+]([O-])c1ccc([C@H](O)CN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000776279826 577456619 /nfs/dbraw/zinc/45/66/19/577456619.db2.gz YGLPXBFJEFYHTP-QGZVFWFLSA-N 1 2 331.372 2.039 20 5 EEBDLO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(Cc3ccco3)CC2)cc1 ZINC000776279826 577456620 /nfs/dbraw/zinc/45/66/20/577456620.db2.gz YGLPXBFJEFYHTP-QGZVFWFLSA-N 1 2 331.372 2.039 20 5 EEBDLO Cc1[nH+]c(-c2nc(-c3c([N+](=O)[O-])ncn3C)no2)c2ccccn12 ZINC000771391454 577614951 /nfs/dbraw/zinc/61/49/51/577614951.db2.gz PAVZCUDHRVUSLS-UHFFFAOYSA-N 1 2 325.288 2.001 20 5 EEBDLO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CCc1[nH+]ccn1C ZINC001107000566 1192338691 /nfs/dbraw/zinc/33/86/91/1192338691.db2.gz DWGIVSWQFVFGIP-UHFFFAOYSA-N 1 2 345.403 2.222 20 5 EEBDLO O=C(NCCCCNc1cccc[nH+]1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825720231 1198845715 /nfs/dbraw/zinc/84/57/15/1198845715.db2.gz BWVZMALZCSIGSM-MRXNPFEDSA-N 1 2 344.371 2.032 20 5 EEBDLO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874894922 1199063384 /nfs/dbraw/zinc/06/33/84/1199063384.db2.gz WCYJAKKCHCEWNX-MRXNPFEDSA-N 1 2 343.358 2.450 20 5 EEBDLO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886049180 1202465708 /nfs/dbraw/zinc/46/57/08/1202465708.db2.gz HVSLJAWGGNINON-UHFFFAOYSA-N 1 2 336.392 2.479 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N(C)CCCNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001095767847 1208500703 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341.083 2.482 20 5 EEBDLO CN(CCNc1ccccc1[N+](=O)[O-])C(=O)c1cccc2[nH+]ccn21 ZINC001101855106 1299946460 /nfs/dbraw/zinc/94/64/60/1299946460.db2.gz YVZDMVWJCQNFDQ-UHFFFAOYSA-N 1 2 339.355 2.427 20 5 EEBDLO Cc1ccc(NCCN(C)C(=O)CCc2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC001102021692 1300153505 /nfs/dbraw/zinc/15/35/05/1300153505.db2.gz QXITZZIMCMPTLS-UHFFFAOYSA-N 1 2 331.376 2.129 20 5 EEBDLO Cc1ccc(NCCN(C)C(=O)CCc2c[nH+]c[nH]2)c([N+](=O)[O-])c1 ZINC001102021692 1300153512 /nfs/dbraw/zinc/15/35/12/1300153512.db2.gz QXITZZIMCMPTLS-UHFFFAOYSA-N 1 2 331.376 2.129 20 5 EEBDLO C[N@@H+]1CC[C@@H](Oc2cc(O)cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234747204 1305018917 /nfs/dbraw/zinc/01/89/17/1305018917.db2.gz IUPCOWJMISGOSV-LLVKDONJSA-N 1 2 327.336 2.440 20 5 EEBDLO C[N@H+]1CC[C@@H](Oc2cc(O)cc3oc4c(O)cccc4c(=O)c23)C1 ZINC001234747204 1305018924 /nfs/dbraw/zinc/01/89/24/1305018924.db2.gz IUPCOWJMISGOSV-LLVKDONJSA-N 1 2 327.336 2.440 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001115865922 1305839787 /nfs/dbraw/zinc/83/97/87/1305839787.db2.gz HGVXTAMWPOYGIN-UHFFFAOYSA-N 1 2 341.433 2.008 20 5 EEBDLO CCOC(=O)[C@H](C)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835198510 1314904176 /nfs/dbraw/zinc/90/41/76/1314904176.db2.gz LMTURJVIIJYHSY-LLVKDONJSA-N 1 2 347.327 2.137 20 5 EEBDLO O=C(C1CCC1)N1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602420 1318140961 /nfs/dbraw/zinc/14/09/61/1318140961.db2.gz FOUWTAJOXOTJBE-QGZVFWFLSA-N 1 2 329.400 2.006 20 5 EEBDLO COC(=O)c1cnc(NCc2ccc3[nH+]ccn3c2)c([N+](=O)[O-])c1 ZINC001163136623 1321048399 /nfs/dbraw/zinc/04/83/99/1321048399.db2.gz LIUHVBIGLCTKHI-UHFFFAOYSA-N 1 2 327.300 2.036 20 5 EEBDLO COC(=O)c1cc([N+](=O)[O-])cnc1NCc1ccc2[nH+]ccn2c1 ZINC001163137075 1321048528 /nfs/dbraw/zinc/04/85/28/1321048528.db2.gz ZBQQUGOFPMVNHO-UHFFFAOYSA-N 1 2 327.300 2.036 20 5 EEBDLO CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001308176286 1331569906 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2.194 20 5 EEBDLO CCOc1cc(C[NH2+][C@@H](C)c2nnnn2C2CC2)ccc1[N+](=O)[O-] ZINC000755072391 577819112 /nfs/dbraw/zinc/81/91/12/577819112.db2.gz MWFFRAUQJLBVBR-JTQLQIEISA-N 1 2 332.364 2.166 20 5 EEBDLO CC(C)c1[nH+]ccn1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000744396195 577897170 /nfs/dbraw/zinc/89/71/70/577897170.db2.gz LQJLXKFWIVSFFJ-UHFFFAOYSA-N 1 2 342.359 2.221 20 5 EEBDLO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741149455 578113893 /nfs/dbraw/zinc/11/38/93/578113893.db2.gz YPIAAPHCDQWZQK-DOMZBBRYSA-N 1 2 349.387 2.339 20 5 EEBDLO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000741149455 578113894 /nfs/dbraw/zinc/11/38/94/578113894.db2.gz YPIAAPHCDQWZQK-DOMZBBRYSA-N 1 2 349.387 2.339 20 5 EEBDLO C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895246189 684381278 /nfs/dbraw/zinc/38/12/78/684381278.db2.gz MTPRKRBTIYRYLT-LRDDRELGSA-N 1 2 329.404 2.189 20 5 EEBDLO C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895246189 684381281 /nfs/dbraw/zinc/38/12/81/684381281.db2.gz MTPRKRBTIYRYLT-LRDDRELGSA-N 1 2 329.404 2.189 20 5 EEBDLO O=C(Cc1cccc(F)c1[N+](=O)[O-])N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000866932439 687112295 /nfs/dbraw/zinc/11/22/95/687112295.db2.gz SBSNOMWZHKWQMD-CYBMUJFWSA-N 1 2 344.346 2.067 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000874340828 1198864108 /nfs/dbraw/zinc/86/41/08/1198864108.db2.gz ZZOPTTQQKZPYCR-UHFFFAOYSA-N 1 2 335.404 2.052 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000874340828 1198864113 /nfs/dbraw/zinc/86/41/13/1198864113.db2.gz ZZOPTTQQKZPYCR-UHFFFAOYSA-N 1 2 335.404 2.052 20 5 EEBDLO CCCCCCNC(=O)[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000133124202 1202171343 /nfs/dbraw/zinc/17/13/43/1202171343.db2.gz TVJWANUKKNFHCZ-AWEZNQCLSA-N 1 2 337.424 2.157 20 5 EEBDLO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000133124202 1202171345 /nfs/dbraw/zinc/17/13/45/1202171345.db2.gz TVJWANUKKNFHCZ-AWEZNQCLSA-N 1 2 337.424 2.157 20 5 EEBDLO Cc1c(CO)cc([N+](=O)[O-])c(NCCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000796438652 1218086674 /nfs/dbraw/zinc/08/66/74/1218086674.db2.gz BOGLKAPJKQQQMF-UHFFFAOYSA-N 1 2 335.320 2.002 20 5 EEBDLO COCCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000802652773 1237929183 /nfs/dbraw/zinc/92/91/83/1237929183.db2.gz SRDQFGRQOVXYNS-CQSZACIVSA-N 1 2 339.348 2.130 20 5 EEBDLO COCCO[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000802652773 1237929196 /nfs/dbraw/zinc/92/91/96/1237929196.db2.gz SRDQFGRQOVXYNS-CQSZACIVSA-N 1 2 339.348 2.130 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110383795 1279179888 /nfs/dbraw/zinc/17/98/88/1279179888.db2.gz ZMJOABJJFILUQG-UHFFFAOYSA-N 1 2 329.360 2.011 20 5 EEBDLO O=C(CCc1c[nH+]c[nH]1)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110383795 1279179896 /nfs/dbraw/zinc/17/98/96/1279179896.db2.gz ZMJOABJJFILUQG-UHFFFAOYSA-N 1 2 329.360 2.011 20 5 EEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000852131541 1292004430 /nfs/dbraw/zinc/00/44/30/1292004430.db2.gz XEZVLRKCEUGFKM-LBPRGKRZSA-N 1 2 331.351 2.407 20 5 EEBDLO C[S@@](=O)CC[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853369405 1292365578 /nfs/dbraw/zinc/36/55/78/1292365578.db2.gz XNDQDQYDGFMYRJ-HSZRJFAPSA-N 1 2 347.387 2.033 20 5 EEBDLO C[C@H]1C[N@H+](CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855413578 1293208218 /nfs/dbraw/zinc/20/82/18/1293208218.db2.gz NMKSOFMMUSSCBR-QWRGUYRKSA-N 1 2 341.795 2.087 20 5 EEBDLO C[C@H]1C[N@@H+](CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000855413578 1293208224 /nfs/dbraw/zinc/20/82/24/1293208224.db2.gz NMKSOFMMUSSCBR-QWRGUYRKSA-N 1 2 341.795 2.087 20 5 EEBDLO O=[N+]([O-])c1cc(OC(F)(F)F)ccc1O[C@H]1C[NH2+]CC1(F)F ZINC001218233585 1297608637 /nfs/dbraw/zinc/60/86/37/1297608637.db2.gz MDMMJYKFVYUVAF-VIFPVBQESA-N 1 2 328.193 2.479 20 5 EEBDLO O=[N+]([O-])c1cccnc1OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001225593787 1301081085 /nfs/dbraw/zinc/08/10/85/1301081085.db2.gz YPIHHZYEUMNPGG-OAHLLOKOSA-N 1 2 329.356 2.270 20 5 EEBDLO O=[N+]([O-])c1cccnc1OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001225593787 1301081097 /nfs/dbraw/zinc/08/10/97/1301081097.db2.gz YPIHHZYEUMNPGG-OAHLLOKOSA-N 1 2 329.356 2.270 20 5 EEBDLO O=[N+]([O-])c1cnc(OC2C[NH+](Cc3ccccc3)C2)c2[nH]cnc21 ZINC001227692984 1301931440 /nfs/dbraw/zinc/93/14/40/1301931440.db2.gz HYWHEDBADMHCEK-UHFFFAOYSA-N 1 2 325.328 2.129 20 5 EEBDLO CC[NH+]1CC(Oc2ccc(I)c([N+](=O)[O-])c2)C1 ZINC001229947528 1302994948 /nfs/dbraw/zinc/99/49/48/1302994948.db2.gz ZJFQQZJCYZGZLL-UHFFFAOYSA-N 1 2 348.140 2.282 20 5 EEBDLO Cc1nnc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000783423919 1304275533 /nfs/dbraw/zinc/27/55/33/1304275533.db2.gz LHZKSMNCCGGYJH-UHFFFAOYSA-N 1 2 345.340 2.297 20 5 EEBDLO COc1nc(N(C)Cc2ccc(-n3cc[nH+]c3)cc2)ncc1[N+](=O)[O-] ZINC001156775998 1318206702 /nfs/dbraw/zinc/20/67/02/1318206702.db2.gz RFQHZNDFQSMUIQ-UHFFFAOYSA-N 1 2 340.343 2.216 20 5 EEBDLO Cc1cnc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)c([N+](=O)[O-])c1 ZINC001165548381 1321544321 /nfs/dbraw/zinc/54/43/21/1321544321.db2.gz WOOPGVKMZTWDDT-UHFFFAOYSA-N 1 2 340.343 2.094 20 5 EEBDLO Cn1cc(-c2nnc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)o2)cn1 ZINC001323026194 1333371157 /nfs/dbraw/zinc/37/11/57/1333371157.db2.gz AOXTWEWTPRJQBR-UHFFFAOYSA-N 1 2 337.299 2.231 20 5 EEBDLO O=[N+]([O-])c1cc(F)cc(Br)c1O[C@H]1C[NH2+]CC1(F)F ZINC001218239653 761810121 /nfs/dbraw/zinc/81/01/21/761810121.db2.gz PZOUNLVNMLQDHX-QMMMGPOBSA-N 1 2 341.083 2.482 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000921152658 770983516 /nfs/dbraw/zinc/98/35/16/770983516.db2.gz YAPMZEIYGGPZMK-UHFFFAOYSA-N 1 2 325.328 2.049 20 5 EEBDLO C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809920629 783492104 /nfs/dbraw/zinc/49/21/04/783492104.db2.gz XUVZSGJBXXMDLR-JTQLQIEISA-N 1 2 342.783 2.090 20 5 EEBDLO C[C@H]1COCC[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809920629 783492109 /nfs/dbraw/zinc/49/21/09/783492109.db2.gz XUVZSGJBXXMDLR-JTQLQIEISA-N 1 2 342.783 2.090 20 5 EEBDLO Cc1nn(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000817374462 784722922 /nfs/dbraw/zinc/72/29/22/784722922.db2.gz JWIUCUQSVSEITD-WCQYABFASA-N 1 2 338.408 2.357 20 5 EEBDLO Cc1nn(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000817374462 784722930 /nfs/dbraw/zinc/72/29/30/784722930.db2.gz JWIUCUQSVSEITD-WCQYABFASA-N 1 2 338.408 2.357 20 5 EEBDLO COc1ccc(C[NH+]2CCN(c3cccc(F)n3)CC2)cc1[N+](=O)[O-] ZINC000824810561 788310797 /nfs/dbraw/zinc/31/07/97/788310797.db2.gz KABHGDAENXGKJC-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO Cc1cn(C(C)(C)C(=O)NCCNc2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC001094223565 796006425 /nfs/dbraw/zinc/00/64/25/796006425.db2.gz QLTBRKLNFNDTNH-UHFFFAOYSA-N 1 2 349.366 2.202 20 5 EEBDLO O=C(OCCCCCCO)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000785678908 806540915 /nfs/dbraw/zinc/54/09/15/806540915.db2.gz RINDTKGIWGRCSF-UHFFFAOYSA-N 1 2 333.344 2.490 20 5 EEBDLO CCOC(=O)C1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001173209447 797314062 /nfs/dbraw/zinc/31/40/62/797314062.db2.gz BZCVMIHUHXDKOO-ZDUSSCGKSA-N 1 2 336.388 2.228 20 5 EEBDLO O=C(NC1CC[NH+](Cc2sccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002781464 798602655 /nfs/dbraw/zinc/60/26/55/798602655.db2.gz CUFGXWQNQPFZLF-ZYHUDNBSSA-N 1 2 343.836 2.147 20 5 EEBDLO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792874894 810048701 /nfs/dbraw/zinc/04/87/01/810048701.db2.gz HDMWJQMAPMUGKR-CQSZACIVSA-N 1 2 347.327 2.335 20 5 EEBDLO Cn1c[nH+]cc1C1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC001521240346 1119228137 /nfs/dbraw/zinc/22/81/37/1119228137.db2.gz FTXWKDSVZUZUPD-UHFFFAOYSA-N 1 2 343.387 2.418 20 5 EEBDLO O=C(C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1nncs1 ZINC000130126774 223124806 /nfs/dbraw/zinc/12/48/06/223124806.db2.gz RAMJXMWSKLPUJH-UHFFFAOYSA-N 1 2 333.373 2.049 20 5 EEBDLO O=C(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)Nc1nncs1 ZINC000130126774 223124807 /nfs/dbraw/zinc/12/48/07/223124807.db2.gz RAMJXMWSKLPUJH-UHFFFAOYSA-N 1 2 333.373 2.049 20 5 EEBDLO Cc1cn2c([nH+]1)[C@@H](CN=c1[nH]c3ccc([N+](=O)[O-])cc3[nH]1)CCC2 ZINC000447677943 242303073 /nfs/dbraw/zinc/30/30/73/242303073.db2.gz IOZMPEBPTSMVNQ-LLVKDONJSA-N 1 2 326.360 2.387 20 5 EEBDLO C[C@@H](O)C[C@@H](C)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447806348 242317821 /nfs/dbraw/zinc/31/78/21/242317821.db2.gz NBQLYVVKPJFWJS-ZIAGYGMSSA-N 1 2 337.420 2.246 20 5 EEBDLO CC(C)[C@H](O)CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447814323 242320285 /nfs/dbraw/zinc/32/02/85/242320285.db2.gz ZHSQXFOAZKWLCF-QGZVFWFLSA-N 1 2 337.420 2.246 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000451947574 243320085 /nfs/dbraw/zinc/32/00/85/243320085.db2.gz QHCBIFFIZQIOQO-PWSUYJOCSA-N 1 2 336.373 2.084 20 5 EEBDLO CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000456341553 244221069 /nfs/dbraw/zinc/22/10/69/244221069.db2.gz DDPIYRNTSKSCAJ-SECBINFHSA-N 1 2 332.316 2.031 20 5 EEBDLO C[C@H]1C[C@H](NC(=O)CCNc2ccccc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000456362265 244230170 /nfs/dbraw/zinc/23/01/70/244230170.db2.gz DVAJZDZTGYDITA-AAEUAGOBSA-N 1 2 329.360 2.416 20 5 EEBDLO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000112115348 220245419 /nfs/dbraw/zinc/24/54/19/220245419.db2.gz KOWKNTIHZKDCHL-GHMZBOCLSA-N 1 2 341.795 2.087 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174385944 296225903 /nfs/dbraw/zinc/22/59/03/296225903.db2.gz VNAHUYLFXGKMGM-ZDUSSCGKSA-N 1 2 333.388 2.248 20 5 EEBDLO CN(C)C(=O)O[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000495985945 247255434 /nfs/dbraw/zinc/25/54/34/247255434.db2.gz YIEXTDVDDJNVSS-CQSZACIVSA-N 1 2 347.375 2.065 20 5 EEBDLO CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000495985945 247255438 /nfs/dbraw/zinc/25/54/38/247255438.db2.gz YIEXTDVDDJNVSS-CQSZACIVSA-N 1 2 347.375 2.065 20 5 EEBDLO COc1ccc(NC(=O)C[N@@H+]2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000112645348 220362184 /nfs/dbraw/zinc/36/21/84/220362184.db2.gz FWOUVCYSADPTBE-MNOVXSKESA-N 1 2 339.417 2.368 20 5 EEBDLO COc1ccc(NC(=O)C[N@H+]2CCS[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000112645348 220362187 /nfs/dbraw/zinc/36/21/87/220362187.db2.gz FWOUVCYSADPTBE-MNOVXSKESA-N 1 2 339.417 2.368 20 5 EEBDLO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(Br)c1 ZINC000267266612 285175952 /nfs/dbraw/zinc/17/59/52/285175952.db2.gz RGXOOIGWWSAAON-SNVBAGLBSA-N 1 2 339.193 2.203 20 5 EEBDLO Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)n3cc[nH+]c32)c([N+](=O)[O-])c1 ZINC000451949142 292184791 /nfs/dbraw/zinc/18/47/91/292184791.db2.gz XAYQICAWSZQTSN-MNOVXSKESA-N 1 2 336.373 2.084 20 5 EEBDLO COC(=O)c1occc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173474035 152169779 /nfs/dbraw/zinc/16/97/79/152169779.db2.gz 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ZINC000279980948 464179273 /nfs/dbraw/zinc/17/92/73/464179273.db2.gz ZNPBJOBNKPHZOV-GDZNZVCISA-N 1 2 336.388 2.372 20 5 EEBDLO CC(C)(CCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[N+](=O)[O-] ZINC000294580500 464543490 /nfs/dbraw/zinc/54/34/90/464543490.db2.gz XZIQQEPPRPVAGD-INIZCTEOSA-N 1 2 349.431 2.012 20 5 EEBDLO Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000248710908 464790539 /nfs/dbraw/zinc/79/05/39/464790539.db2.gz CHNTZVAQWMLSRZ-NWDGAFQWSA-N 1 2 344.375 2.041 20 5 EEBDLO Cc1cc(=O)[nH]c([C@H](C)[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000248710908 464790545 /nfs/dbraw/zinc/79/05/45/464790545.db2.gz CHNTZVAQWMLSRZ-NWDGAFQWSA-N 1 2 344.375 2.041 20 5 EEBDLO COC(=O)[C@@H](c1cccnc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282388224 464799154 /nfs/dbraw/zinc/79/91/54/464799154.db2.gz GPUGVVGYZRCAFA-MRXNPFEDSA-N 1 2 329.356 2.378 20 5 EEBDLO COC(=O)[C@@H](c1cccnc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282388224 464799156 /nfs/dbraw/zinc/79/91/56/464799156.db2.gz GPUGVVGYZRCAFA-MRXNPFEDSA-N 1 2 329.356 2.378 20 5 EEBDLO Nc1c(F)c(N2CC[NH+](Cc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000266867756 464851577 /nfs/dbraw/zinc/85/15/77/464851577.db2.gz RHPWKZNNZGHDIH-UHFFFAOYSA-N 1 2 331.351 2.033 20 5 EEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286255965 464856400 /nfs/dbraw/zinc/85/64/00/464856400.db2.gz GHTPJEFNENZHGD-WFASDCNBSA-N 1 2 333.388 2.097 20 5 EEBDLO Cc1nn(C)c(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)c1[N+](=O)[O-] ZINC000347956090 465332139 /nfs/dbraw/zinc/33/21/39/465332139.db2.gz CCWMMGIECSAYNG-UHFFFAOYSA-N 1 2 326.316 2.279 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337384586 465339029 /nfs/dbraw/zinc/33/90/29/465339029.db2.gz DPWXKTOXCPPMHV-AWEZNQCLSA-N 1 2 342.417 2.003 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000337384586 465339035 /nfs/dbraw/zinc/33/90/35/465339035.db2.gz DPWXKTOXCPPMHV-AWEZNQCLSA-N 1 2 342.417 2.003 20 5 EEBDLO C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000298640931 465457074 /nfs/dbraw/zinc/45/70/74/465457074.db2.gz QIVLUFDHAKNXPO-HNNXBMFYSA-N 1 2 346.431 2.118 20 5 EEBDLO CC[C@@H](C(=O)OC)N1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000352722295 465550022 /nfs/dbraw/zinc/55/00/22/465550022.db2.gz AONSEWRCLYVVLS-ZFWWWQNUSA-N 1 2 335.404 2.225 20 5 EEBDLO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1noc(Cc2ccccc2)n1 ZINC000348426446 465599487 /nfs/dbraw/zinc/59/94/87/465599487.db2.gz VAJNSLKNNVSYDK-GFCCVEGCSA-N 1 2 342.359 2.116 20 5 EEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cnc(C4CC4)o3)CC2)cn1 ZINC000600108446 468459748 /nfs/dbraw/zinc/45/97/48/468459748.db2.gz AMXNFABBYUCGME-UHFFFAOYSA-N 1 2 329.360 2.177 20 5 EEBDLO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353531777 465958884 /nfs/dbraw/zinc/95/88/84/465958884.db2.gz PGDOTGGLZDBFRS-VBNZEHGJSA-N 1 2 332.404 2.414 20 5 EEBDLO Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000367086395 466122124 /nfs/dbraw/zinc/12/21/24/466122124.db2.gz UGTRIKACXOCGJN-HNNXBMFYSA-N 1 2 326.356 2.085 20 5 EEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000372244382 466245954 /nfs/dbraw/zinc/24/59/54/466245954.db2.gz ITXPPIPPFCALBQ-AWEZNQCLSA-N 1 2 328.372 2.336 20 5 EEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000361780913 466283178 /nfs/dbraw/zinc/28/31/78/466283178.db2.gz AGQGRGDGQXSURP-AWEZNQCLSA-N 1 2 343.387 2.477 20 5 EEBDLO C[C@@H]1N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOC1(C)C ZINC000357929589 466326385 /nfs/dbraw/zinc/32/63/85/466326385.db2.gz KXKTYKBEHMXHLA-LBPRGKRZSA-N 1 2 344.371 2.420 20 5 EEBDLO Cc1cc(NC[C@H](O)C2CCC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000450919558 467207113 /nfs/dbraw/zinc/20/71/13/467207113.db2.gz OWNMMJYBCNPVIX-HNNXBMFYSA-N 1 2 328.372 2.355 20 5 EEBDLO CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000420617243 467435212 /nfs/dbraw/zinc/43/52/12/467435212.db2.gz AYIRBCJXXPQVCQ-CQSZACIVSA-N 1 2 341.371 2.075 20 5 EEBDLO CC(C)c1[nH+]c2c(n1C)CCN(c1cccc(C(N)=O)c1[N+](=O)[O-])C2 ZINC000439162689 467566430 /nfs/dbraw/zinc/56/64/30/467566430.db2.gz ZMMJANLRMRNNKT-UHFFFAOYSA-N 1 2 343.387 2.113 20 5 EEBDLO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000448980857 467610425 /nfs/dbraw/zinc/61/04/25/467610425.db2.gz QUNYNCIQZNTPGG-LBPRGKRZSA-N 1 2 343.387 2.151 20 5 EEBDLO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000448980857 467610427 /nfs/dbraw/zinc/61/04/27/467610427.db2.gz QUNYNCIQZNTPGG-LBPRGKRZSA-N 1 2 343.387 2.151 20 5 EEBDLO COc1cc[nH+]cc1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492799933 467756495 /nfs/dbraw/zinc/75/64/95/467756495.db2.gz NQTWRUCVMOHURI-HYXAFXHYSA-N 1 2 331.303 2.467 20 5 EEBDLO C[C@@H]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)O1 ZINC000457359625 467808269 /nfs/dbraw/zinc/80/82/69/467808269.db2.gz JRNVWMBSUKMFQD-YPMHNXCESA-N 1 2 330.344 2.078 20 5 EEBDLO COc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c(F)c1 ZINC000568033381 468261005 /nfs/dbraw/zinc/26/10/05/468261005.db2.gz LBQGXLSEQILWHX-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO CC(C)CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600308654 468529374 /nfs/dbraw/zinc/52/93/74/468529374.db2.gz RNORINCTAVDKCT-CQSZACIVSA-N 1 2 346.387 2.307 20 5 EEBDLO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3cscn3)CC2)c(F)c1 ZINC000570686166 468678081 /nfs/dbraw/zinc/67/80/81/468678081.db2.gz HWRKCSVZZNCMGX-UHFFFAOYSA-N 1 2 337.380 2.298 20 5 EEBDLO O=[N+]([O-])c1cnc(N2CCC[N@@H+](Cc3cscn3)CC2)c(F)c1 ZINC000570686166 468678086 /nfs/dbraw/zinc/67/80/86/468678086.db2.gz HWRKCSVZZNCMGX-UHFFFAOYSA-N 1 2 337.380 2.298 20 5 EEBDLO Cc1oncc1C[N@@H+]1C[C@@H](F)C[C@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000571375894 468777757 /nfs/dbraw/zinc/77/77/57/468777757.db2.gz RGKRXQKWBMOQDO-KBPBESRZSA-N 1 2 349.366 2.619 20 5 EEBDLO Cc1oncc1C[N@H+]1C[C@@H](F)C[C@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000571375894 468777761 /nfs/dbraw/zinc/77/77/61/468777761.db2.gz RGKRXQKWBMOQDO-KBPBESRZSA-N 1 2 349.366 2.619 20 5 EEBDLO Cc1nn(C)c(NCc2cc[nH+]c(N3CCSCC3)c2)c1[N+](=O)[O-] ZINC000601240514 468794510 /nfs/dbraw/zinc/79/45/10/468794510.db2.gz JZLQGWHBKAJGHK-UHFFFAOYSA-N 1 2 348.432 2.197 20 5 EEBDLO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1OC ZINC000598458948 468873571 /nfs/dbraw/zinc/87/35/71/468873571.db2.gz ALFXGCVBQDKRAW-JTQLQIEISA-N 1 2 348.359 2.227 20 5 EEBDLO Cc1c(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)cccc1[N+](=O)[O-] ZINC000602679407 469006018 /nfs/dbraw/zinc/00/60/18/469006018.db2.gz JUCWOJSXQYFKFF-HNNXBMFYSA-N 1 2 332.404 2.486 20 5 EEBDLO C[N@@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](CO)C1 ZINC000602717039 469029270 /nfs/dbraw/zinc/02/92/70/469029270.db2.gz XUBVDCCVRAARII-CYBMUJFWSA-N 1 2 347.440 2.432 20 5 EEBDLO C[N@H+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)[C@@H](CO)C1 ZINC000602717039 469029274 /nfs/dbraw/zinc/02/92/74/469029274.db2.gz XUBVDCCVRAARII-CYBMUJFWSA-N 1 2 347.440 2.432 20 5 EEBDLO C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000610742323 469058299 /nfs/dbraw/zinc/05/82/99/469058299.db2.gz FCTWIQYJSOQFTJ-OLZOCXBDSA-N 1 2 344.371 2.325 20 5 EEBDLO COC(=O)C[C@H]1COCC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000589208255 469212567 /nfs/dbraw/zinc/21/25/67/469212567.db2.gz CZAOCVHVSKIJJQ-OIQJVACTSA-N 1 2 334.372 2.262 20 5 EEBDLO COC(=O)C[C@H]1COCC[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000589208255 469212569 /nfs/dbraw/zinc/21/25/69/469212569.db2.gz CZAOCVHVSKIJJQ-OIQJVACTSA-N 1 2 334.372 2.262 20 5 EEBDLO Cc1c(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000596636329 469317558 /nfs/dbraw/zinc/31/75/58/469317558.db2.gz SXSMCSNVJSIKBE-NWDGAFQWSA-N 1 2 336.392 2.134 20 5 EEBDLO Cc1c(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000596636329 469317563 /nfs/dbraw/zinc/31/75/63/469317563.db2.gz SXSMCSNVJSIKBE-NWDGAFQWSA-N 1 2 336.392 2.134 20 5 EEBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@]2(CCOC2)O1 ZINC000619516443 469630889 /nfs/dbraw/zinc/63/08/89/469630889.db2.gz GIKSMWSKUTUAHU-QGZVFWFLSA-N 1 2 346.387 2.241 20 5 EEBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@]2(CCOC2)O1 ZINC000619516443 469630894 /nfs/dbraw/zinc/63/08/94/469630894.db2.gz GIKSMWSKUTUAHU-QGZVFWFLSA-N 1 2 346.387 2.241 20 5 EEBDLO O=C(C[N@H+]1CCC[C@@H](CCO)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609848909 469966045 /nfs/dbraw/zinc/96/60/45/469966045.db2.gz NUXFMBUZPTZJOU-NSHDSACASA-N 1 2 341.795 2.281 20 5 EEBDLO O=C(C[N@@H+]1CCC[C@@H](CCO)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609848909 469966046 /nfs/dbraw/zinc/96/60/46/469966046.db2.gz NUXFMBUZPTZJOU-NSHDSACASA-N 1 2 341.795 2.281 20 5 EEBDLO CCN1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000446332672 535642759 /nfs/dbraw/zinc/64/27/59/535642759.db2.gz QMWCSZVYUWPOIH-AWEZNQCLSA-N 1 2 343.387 2.145 20 5 EEBDLO O=C(COC(=O)c1ccc2[nH+]ccn2c1)Nc1ccccc1[N+](=O)[O-] ZINC000731908834 577132682 /nfs/dbraw/zinc/13/26/82/577132682.db2.gz XQBGDFRLNTZJGE-UHFFFAOYSA-N 1 2 340.295 2.038 20 5 EEBDLO COc1ccc(CC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000777455375 577479203 /nfs/dbraw/zinc/47/92/03/577479203.db2.gz OJJWFQVRLFRPAU-LBPRGKRZSA-N 1 2 330.344 2.233 20 5 EEBDLO CC(C)(C)OC(=O)C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCCC1 ZINC000759249671 577639855 /nfs/dbraw/zinc/63/98/55/577639855.db2.gz QQIGKFZQPLNTIT-UHFFFAOYSA-N 1 2 338.408 2.426 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000891345324 676412914 /nfs/dbraw/zinc/41/29/14/676412914.db2.gz UQBNIRAMAGWDRK-NSHDSACASA-N 1 2 337.767 2.223 20 5 EEBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783674456 1186920803 /nfs/dbraw/zinc/92/08/03/1186920803.db2.gz PFGCMAGMTCRVPT-GFCCVEGCSA-N 1 2 338.795 2.284 20 5 EEBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783674456 1186920805 /nfs/dbraw/zinc/92/08/05/1186920805.db2.gz PFGCMAGMTCRVPT-GFCCVEGCSA-N 1 2 338.795 2.284 20 5 EEBDLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000874699158 1198947006 /nfs/dbraw/zinc/94/70/06/1198947006.db2.gz PNHXVMOIJLIQDP-GFCCVEGCSA-N 1 2 341.795 2.089 20 5 EEBDLO CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000874699158 1198947009 /nfs/dbraw/zinc/94/70/09/1198947009.db2.gz PNHXVMOIJLIQDP-GFCCVEGCSA-N 1 2 341.795 2.089 20 5 EEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000874709198 1198959863 /nfs/dbraw/zinc/95/98/63/1198959863.db2.gz YRQJCYICHUOKRH-NSHDSACASA-N 1 2 341.795 2.089 20 5 EEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000874709198 1198959867 /nfs/dbraw/zinc/95/98/67/1198959867.db2.gz YRQJCYICHUOKRH-NSHDSACASA-N 1 2 341.795 2.089 20 5 EEBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000805475433 1201061430 /nfs/dbraw/zinc/06/14/30/1201061430.db2.gz QEVGWNZIHCYMPG-CYBMUJFWSA-N 1 2 328.752 2.012 20 5 EEBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000805475433 1201061433 /nfs/dbraw/zinc/06/14/33/1201061433.db2.gz QEVGWNZIHCYMPG-CYBMUJFWSA-N 1 2 328.752 2.012 20 5 EEBDLO CCOC1CC2(C1)CC[N@H+](Cn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000795719416 1215012611 /nfs/dbraw/zinc/01/26/11/1215012611.db2.gz DLKGNFAAIBMFJC-UHFFFAOYSA-N 1 2 347.371 2.351 20 5 EEBDLO CCOC1CC2(C1)CC[N@@H+](Cn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000795719416 1215012613 /nfs/dbraw/zinc/01/26/13/1215012613.db2.gz DLKGNFAAIBMFJC-UHFFFAOYSA-N 1 2 347.371 2.351 20 5 EEBDLO CCCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1F ZINC001101172868 1245480145 /nfs/dbraw/zinc/48/01/45/1245480145.db2.gz ZWGMUMZEFYTIPM-UHFFFAOYSA-N 1 2 349.366 2.032 20 5 EEBDLO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1c2cc[nH+]cc2C[C@@H]1C ZINC000857899963 1293946477 /nfs/dbraw/zinc/94/64/77/1293946477.db2.gz ULYFGDLSMMCNTO-JTQLQIEISA-N 1 2 349.368 2.138 20 5 EEBDLO CCCSc1nc(O[C@@H]2CC[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC001218029817 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1 2 346.387 2.307 20 5 EEBDLO C[NH+](C)Cc1csc(NC(=O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000457301752 467797305 /nfs/dbraw/zinc/79/73/05/467797305.db2.gz YDONTJSBNMQNAC-UHFFFAOYSA-N 1 2 336.373 2.130 20 5 EEBDLO COc1cc(C(=O)Nc2nc(C[NH+](C)C)cs2)ccc1[N+](=O)[O-] ZINC000457302862 467797414 /nfs/dbraw/zinc/79/74/14/467797414.db2.gz ZFWNXAGCXDSYQG-UHFFFAOYSA-N 1 2 336.373 2.374 20 5 EEBDLO CCn1cc[nH+]c1C=CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000493248095 467870585 /nfs/dbraw/zinc/87/05/85/467870585.db2.gz FAPCODJEISOLGJ-WAYWQWQTSA-N 1 2 340.343 2.017 20 5 EEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccn(CC(F)(F)F)n1)CC2 ZINC000450693681 467892770 /nfs/dbraw/zinc/89/27/70/467892770.db2.gz MRKDMFSUDDOSBQ-UHFFFAOYSA-N 1 2 341.293 2.307 20 5 EEBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccn(CC(F)(F)F)n1)CC2 ZINC000450693681 467892774 /nfs/dbraw/zinc/89/27/74/467892774.db2.gz MRKDMFSUDDOSBQ-UHFFFAOYSA-N 1 2 341.293 2.307 20 5 EEBDLO COc1ccc(CNC(=O)NCCCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000518364761 468113508 /nfs/dbraw/zinc/11/35/08/468113508.db2.gz OIUXQBIKRFHJSA-UHFFFAOYSA-N 1 2 347.375 2.080 20 5 EEBDLO CC(C)CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000600308653 468528352 /nfs/dbraw/zinc/52/83/52/468528352.db2.gz RNORINCTAVDKCT-AWEZNQCLSA-N 1 2 346.387 2.307 20 5 EEBDLO C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1[nH+]ccn1C ZINC000595383410 468833318 /nfs/dbraw/zinc/83/33/18/468833318.db2.gz MUEYRNWWKQRZSD-QMMMGPOBSA-N 1 2 344.780 2.021 20 5 EEBDLO COC(=O)c1cc(NC(=O)C[C@H](C)n2cc[nH+]c2)c(C)c([N+](=O)[O-])c1 ZINC000584295223 468839959 /nfs/dbraw/zinc/83/99/59/468839959.db2.gz VXOWCRPSDOJJEF-JTQLQIEISA-N 1 2 346.343 2.476 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)c2[nH+]ccn2C)c1 ZINC000598461015 468873485 /nfs/dbraw/zinc/87/34/85/468873485.db2.gz ZFZOAUYRZRGWEX-GFCCVEGCSA-N 1 2 332.360 2.283 20 5 EEBDLO Cn1c[nH+]cc1CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000584510582 468886797 /nfs/dbraw/zinc/88/67/97/468886797.db2.gz VGXNPXZOFVZERO-UHFFFAOYSA-N 1 2 342.277 2.320 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)NC(C)(C)c2[nH]cc[nH+]2)c1F ZINC000584845312 468948915 /nfs/dbraw/zinc/94/89/15/468948915.db2.gz RHTOFOTWLODWBN-UHFFFAOYSA-N 1 2 336.323 2.060 20 5 EEBDLO C[C@]1(C(N)=O)CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602644989 468985292 /nfs/dbraw/zinc/98/52/92/468985292.db2.gz QAKPCWJOVMYGGM-NSHDSACASA-N 1 2 348.222 2.116 20 5 EEBDLO C[C@]1(C(N)=O)CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602644989 468985295 /nfs/dbraw/zinc/98/52/95/468985295.db2.gz QAKPCWJOVMYGGM-NSHDSACASA-N 1 2 348.222 2.116 20 5 EEBDLO C[N@H+](CCOC(C)(C)C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610859638 469094019 /nfs/dbraw/zinc/09/40/19/469094019.db2.gz DRSKFAOVXHLNDA-UHFFFAOYSA-N 1 2 335.404 2.231 20 5 EEBDLO C[N@@H+](CCOC(C)(C)C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000610859638 469094027 /nfs/dbraw/zinc/09/40/27/469094027.db2.gz DRSKFAOVXHLNDA-UHFFFAOYSA-N 1 2 335.404 2.231 20 5 EEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@@H](CCO)C1 ZINC000610927592 469113469 /nfs/dbraw/zinc/11/34/69/469113469.db2.gz IECUGUGSANPHJP-ZDUSSCGKSA-N 1 2 344.371 2.015 20 5 EEBDLO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000611526304 469272323 /nfs/dbraw/zinc/27/23/23/469272323.db2.gz HVKQBQWPVXIYGX-UHFFFAOYSA-N 1 2 341.367 2.258 20 5 EEBDLO COc1ncc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000602436280 469315438 /nfs/dbraw/zinc/31/54/38/469315438.db2.gz YEEKYWSEZOFNIJ-UHFFFAOYSA-N 1 2 334.401 2.382 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000596843156 469378264 /nfs/dbraw/zinc/37/82/64/469378264.db2.gz QNKOJSCBUBESFR-CHWSQXEVSA-N 1 2 336.392 2.134 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000596843156 469378269 /nfs/dbraw/zinc/37/82/69/469378269.db2.gz QNKOJSCBUBESFR-CHWSQXEVSA-N 1 2 336.392 2.134 20 5 EEBDLO Cc1c(C[NH+]2CCN(C(=O)c3cccn3C)CC2)cccc1[N+](=O)[O-] ZINC000603684428 469424015 /nfs/dbraw/zinc/42/40/15/469424015.db2.gz ZRXYOAZDWFHZQT-UHFFFAOYSA-N 1 2 342.399 2.200 20 5 EEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000610367357 470007766 /nfs/dbraw/zinc/00/77/66/470007766.db2.gz BHEBWPGXPKURJW-AWEZNQCLSA-N 1 2 332.404 2.489 20 5 EEBDLO CC(C)(CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000265689940 535090413 /nfs/dbraw/zinc/09/04/13/535090413.db2.gz FXDKZENVYGPERS-UHFFFAOYSA-N 1 2 349.431 2.099 20 5 EEBDLO O=C(OC[C@H]1CCCOC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000766300342 577516843 /nfs/dbraw/zinc/51/68/43/577516843.db2.gz HMDQDQYXERNFDZ-LBPRGKRZSA-N 1 2 331.328 2.364 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000767782078 577544851 /nfs/dbraw/zinc/54/48/51/577544851.db2.gz QTJYMFGFTLPUHX-CQSZACIVSA-N 1 2 343.387 2.418 20 5 EEBDLO COC(=O)c1ccc(OC(=O)c2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC000763707181 577724951 /nfs/dbraw/zinc/72/49/51/577724951.db2.gz WUTGLTCSVAJQNP-UHFFFAOYSA-N 1 2 341.279 2.248 20 5 EEBDLO COCC[N@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCC1 ZINC000747790935 577950074 /nfs/dbraw/zinc/95/00/74/577950074.db2.gz DHBXUPFIOFVFHJ-UHFFFAOYSA-N 1 2 347.371 2.039 20 5 EEBDLO COCC[N@@H+](CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCC1 ZINC000747790935 577950075 /nfs/dbraw/zinc/95/00/75/577950075.db2.gz DHBXUPFIOFVFHJ-UHFFFAOYSA-N 1 2 347.371 2.039 20 5 EEBDLO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741147356 578113606 /nfs/dbraw/zinc/11/36/06/578113606.db2.gz AWAPLARRAKIIJV-IUODEOHRSA-N 1 2 349.387 2.339 20 5 EEBDLO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000741147356 578113607 /nfs/dbraw/zinc/11/36/07/578113607.db2.gz AWAPLARRAKIIJV-IUODEOHRSA-N 1 2 349.387 2.339 20 5 EEBDLO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)C1CC2(CC2)C1 ZINC001026028180 683762463 /nfs/dbraw/zinc/76/24/63/683762463.db2.gz SDAYSRVOJFGQIM-NHAGDIPZSA-N 1 2 347.440 2.393 20 5 EEBDLO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]21)C1CC2(CC2)C1 ZINC001026028180 683762468 /nfs/dbraw/zinc/76/24/68/683762468.db2.gz SDAYSRVOJFGQIM-NHAGDIPZSA-N 1 2 347.440 2.393 20 5 EEBDLO O=C(c1cnco1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029413434 684353315 /nfs/dbraw/zinc/35/33/15/684353315.db2.gz KOKGMGPEEBNTMS-GASCZTMLSA-N 1 2 342.355 2.072 20 5 EEBDLO O=C(c1cnco1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029413434 684353319 /nfs/dbraw/zinc/35/33/19/684353319.db2.gz KOKGMGPEEBNTMS-GASCZTMLSA-N 1 2 342.355 2.072 20 5 EEBDLO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000895316850 684482242 /nfs/dbraw/zinc/48/22/42/684482242.db2.gz RQZYOFZXNSMICG-CYBMUJFWSA-N 1 2 346.412 2.333 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC001059688123 688141785 /nfs/dbraw/zinc/14/17/85/688141785.db2.gz KZMPYMOFKFKSEL-PHIMTYICSA-N 1 2 347.350 2.067 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)c1C ZINC000898670283 693415326 /nfs/dbraw/zinc/41/53/26/693415326.db2.gz VUDYOJXBBMTQRN-STQMWFEESA-N 1 2 335.404 2.051 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)c1C ZINC000898670283 693415330 /nfs/dbraw/zinc/41/53/30/693415330.db2.gz VUDYOJXBBMTQRN-STQMWFEESA-N 1 2 335.404 2.051 20 5 EEBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@H]2CCCCN2C1=O ZINC000872604854 1198276673 /nfs/dbraw/zinc/27/66/73/1198276673.db2.gz MRFSZJWBXOCGRX-INIZCTEOSA-N 1 2 332.404 2.317 20 5 EEBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CN1C[C@@H]2CCCCN2C1=O ZINC000872604854 1198276675 /nfs/dbraw/zinc/27/66/75/1198276675.db2.gz MRFSZJWBXOCGRX-INIZCTEOSA-N 1 2 332.404 2.317 20 5 EEBDLO Cc1conc1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000870376848 1200642723 /nfs/dbraw/zinc/64/27/23/1200642723.db2.gz FFBTXUYPLKUQGL-AWEZNQCLSA-N 1 2 331.328 2.323 20 5 EEBDLO Cc1conc1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000870376848 1200642726 /nfs/dbraw/zinc/64/27/26/1200642726.db2.gz FFBTXUYPLKUQGL-AWEZNQCLSA-N 1 2 331.328 2.323 20 5 EEBDLO CCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000025556527 1201927585 /nfs/dbraw/zinc/92/75/85/1201927585.db2.gz BUJKITIXKVOWFN-AWEZNQCLSA-N 1 2 334.420 2.022 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c1C ZINC000887881721 1204499113 /nfs/dbraw/zinc/49/91/13/1204499113.db2.gz XJSXSMCAECLAMX-INIZCTEOSA-N 1 2 349.431 2.298 20 5 EEBDLO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c(N(C)C)[nH+]1 ZINC000801930928 1236458187 /nfs/dbraw/zinc/45/81/87/1236458187.db2.gz ZURZEUDWZRXFSM-UHFFFAOYSA-N 1 2 333.323 2.338 20 5 EEBDLO CC(C)CCC(=O)NCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001096264301 1236810848 /nfs/dbraw/zinc/81/08/48/1236810848.db2.gz SZOXWYLLNCHTQB-UHFFFAOYSA-N 1 2 348.447 2.269 20 5 EEBDLO CN(CCNc1ccc(F)cc1[N+](=O)[O-])C(=O)CCCn1cc[nH+]c1 ZINC001101662906 1246095119 /nfs/dbraw/zinc/09/51/19/1246095119.db2.gz 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O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1c[nH+]ccc1-n1ccnn1 ZINC000367408563 466319309 /nfs/dbraw/zinc/31/93/09/466319309.db2.gz WEGQDOCAKGOUAE-ZZXKWVIFSA-N 1 2 336.311 2.222 20 5 EEBDLO CS(=O)(=O)c1ccc(N2CCC[C@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000354076266 466336993 /nfs/dbraw/zinc/33/69/93/466336993.db2.gz RPRJOVIAYQXDFB-LBPRGKRZSA-N 1 2 336.373 2.063 20 5 EEBDLO NC(=O)c1cc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)on1 ZINC000350395247 466479151 /nfs/dbraw/zinc/47/91/51/466479151.db2.gz SQDSVLOKMBMIDO-UHFFFAOYSA-N 1 2 342.311 2.232 20 5 EEBDLO CC1(C)C[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000367710038 466507772 /nfs/dbraw/zinc/50/77/72/466507772.db2.gz VBDGFDNCQMTRSB-GOEBONIOSA-N 1 2 333.388 2.423 20 5 EEBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000367710038 466507779 /nfs/dbraw/zinc/50/77/79/466507779.db2.gz VBDGFDNCQMTRSB-GOEBONIOSA-N 1 2 333.388 2.423 20 5 EEBDLO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 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RXPCCXAZXUNRHC-ZDUSSCGKSA-N 1 2 327.331 2.331 20 5 EEBDLO O=C(NCC(F)F)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000449603960 467669783 /nfs/dbraw/zinc/66/97/83/467669783.db2.gz RXPCCXAZXUNRHC-ZDUSSCGKSA-N 1 2 327.331 2.331 20 5 EEBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597639004 468623335 /nfs/dbraw/zinc/62/33/35/468623335.db2.gz BJCXRTQKIDQVJD-ZIAGYGMSSA-N 1 2 328.372 2.133 20 5 EEBDLO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598262892 468810794 /nfs/dbraw/zinc/81/07/94/468810794.db2.gz NNMQLCAJDCMYFA-GFCCVEGCSA-N 1 2 345.403 2.321 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2COC)c([N+](=O)[O-])c1 ZINC000610615524 469018532 /nfs/dbraw/zinc/01/85/32/469018532.db2.gz MCCQSAMSSDEAJU-GFCCVEGCSA-N 1 2 337.376 2.043 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2COC)c([N+](=O)[O-])c1 ZINC000610615524 469018539 /nfs/dbraw/zinc/01/85/39/469018539.db2.gz MCCQSAMSSDEAJU-GFCCVEGCSA-N 1 2 337.376 2.043 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000602813405 469092323 /nfs/dbraw/zinc/09/23/23/469092323.db2.gz XINUGLMEMWDQNF-ZDUSSCGKSA-N 1 2 326.397 2.056 20 5 EEBDLO Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c[nH]c1=O ZINC000611139620 469172164 /nfs/dbraw/zinc/17/21/64/469172164.db2.gz ORSHYXVBKVXGRL-UHFFFAOYSA-N 1 2 339.311 2.442 20 5 EEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599536281 469285809 /nfs/dbraw/zinc/28/58/09/469285809.db2.gz HTLAWKSLZAKTPI-HNNXBMFYSA-N 1 2 330.340 2.056 20 5 EEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1Cc2ccc(O)cc2C1 ZINC000599536281 469285814 /nfs/dbraw/zinc/28/58/14/469285814.db2.gz HTLAWKSLZAKTPI-HNNXBMFYSA-N 1 2 330.340 2.056 20 5 EEBDLO CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000599691914 469340881 /nfs/dbraw/zinc/34/08/81/469340881.db2.gz UXKWVQQNUFZQJI-LLVKDONJSA-N 1 2 327.331 2.364 20 5 EEBDLO CC(=O)NC[C@H]1CCCC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000599691914 469340884 /nfs/dbraw/zinc/34/08/84/469340884.db2.gz UXKWVQQNUFZQJI-LLVKDONJSA-N 1 2 327.331 2.364 20 5 EEBDLO CC[C@]1(C)CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000619156948 469539674 /nfs/dbraw/zinc/53/96/74/469539674.db2.gz WKBBOCRJOMQAFT-GOSISDBHSA-N 1 2 349.431 2.432 20 5 EEBDLO CC1(C)C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)(C)CO1 ZINC000609671844 469953995 /nfs/dbraw/zinc/95/39/95/469953995.db2.gz LOANOCYFLMSJBA-UHFFFAOYSA-N 1 2 347.415 2.373 20 5 EEBDLO CC1(C)C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)(C)CO1 ZINC000609671844 469953997 /nfs/dbraw/zinc/95/39/97/469953997.db2.gz LOANOCYFLMSJBA-UHFFFAOYSA-N 1 2 347.415 2.373 20 5 EEBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000610422372 470013697 /nfs/dbraw/zinc/01/36/97/470013697.db2.gz ODZUBCTYGQPPGH-KRWDZBQOSA-N 1 2 340.383 2.271 20 5 EEBDLO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000610422372 470013698 /nfs/dbraw/zinc/01/36/98/470013698.db2.gz ODZUBCTYGQPPGH-KRWDZBQOSA-N 1 2 340.383 2.271 20 5 EEBDLO O=C(N[C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000251862680 490706935 /nfs/dbraw/zinc/70/69/35/490706935.db2.gz OIGFBCWRNGMLBP-WOSRLPQWSA-N 1 2 342.355 2.078 20 5 EEBDLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000456876147 535673139 /nfs/dbraw/zinc/67/31/39/535673139.db2.gz AOPWZPYTGIUPAQ-UHFFFAOYSA-N 1 2 348.447 2.049 20 5 EEBDLO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000774622302 577407068 /nfs/dbraw/zinc/40/70/68/577407068.db2.gz VACSSPVMFLJINX-SMDDNHRTSA-N 1 2 332.360 2.489 20 5 EEBDLO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000774622302 577407070 /nfs/dbraw/zinc/40/70/70/577407070.db2.gz VACSSPVMFLJINX-SMDDNHRTSA-N 1 2 332.360 2.489 20 5 EEBDLO COCC1=CC[N@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000774644992 577408480 /nfs/dbraw/zinc/40/84/80/577408480.db2.gz OHCHRDQLIJDUGX-UHFFFAOYSA-N 1 2 329.360 2.089 20 5 EEBDLO COCC1=CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000774644992 577408481 /nfs/dbraw/zinc/40/84/81/577408481.db2.gz OHCHRDQLIJDUGX-UHFFFAOYSA-N 1 2 329.360 2.089 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCC[C@H]3C3OCCO3)nc2c1 ZINC000769732417 577583194 /nfs/dbraw/zinc/58/31/94/577583194.db2.gz ISRWEWVGEGVAMP-AWEZNQCLSA-N 1 2 332.360 2.199 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCC[C@H]3C3OCCO3)nc2c1 ZINC000769732417 577583195 /nfs/dbraw/zinc/58/31/95/577583195.db2.gz ISRWEWVGEGVAMP-AWEZNQCLSA-N 1 2 332.360 2.199 20 5 EEBDLO O=[N+]([O-])c1cc(F)c(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000749304300 577974349 /nfs/dbraw/zinc/97/43/49/577974349.db2.gz GWRDKTMFPSIXPM-LBPRGKRZSA-N 1 2 327.331 2.174 20 5 EEBDLO Nc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cccc1[N+](=O)[O-] ZINC000178198853 676728963 /nfs/dbraw/zinc/72/89/63/676728963.db2.gz PWCWUAOEUTYQHR-UHFFFAOYSA-N 1 2 337.339 2.293 20 5 EEBDLO Cc1nc(CN2CC[NH+](Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)no1 ZINC000876716161 1199735496 /nfs/dbraw/zinc/73/54/96/1199735496.db2.gz XVDRIFVHHPKQFZ-UHFFFAOYSA-N 1 2 345.403 2.221 20 5 EEBDLO O=[N+]([O-])c1ncccc1C[N@@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000886188251 1202479877 /nfs/dbraw/zinc/47/98/77/1202479877.db2.gz OEAQQKIAZIGXBJ-SFHVURJKSA-N 1 2 343.383 2.143 20 5 EEBDLO O=[N+]([O-])c1ncccc1C[N@H+](Cc1ccccc1)[C@]1(CO)CCOC1 ZINC000886188251 1202479878 /nfs/dbraw/zinc/47/98/78/1202479878.db2.gz OEAQQKIAZIGXBJ-SFHVURJKSA-N 1 2 343.383 2.143 20 5 EEBDLO CCCN(CCNC(=O)CCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC001101211507 1245524727 /nfs/dbraw/zinc/52/47/27/1245524727.db2.gz OILBHHSLXHNBST-UHFFFAOYSA-N 1 2 345.403 2.214 20 5 EEBDLO O=c1oc2cccc([N+](=O)[O-])c2n1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000794638342 1296500644 /nfs/dbraw/zinc/50/06/44/1296500644.db2.gz DDHCLUINEHKXSE-CYBMUJFWSA-N 1 2 347.371 2.209 20 5 EEBDLO CCCSc1nc(O[C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001217974470 1297540492 /nfs/dbraw/zinc/54/04/92/1297540492.db2.gz NFZSNPWMZWFCTQ-SECBINFHSA-N 1 2 328.394 2.113 20 5 EEBDLO C[C@@H]1CC[NH2+]CC[C@H]1Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001218024437 1297550563 /nfs/dbraw/zinc/55/05/63/1297550563.db2.gz OBNVXOOIONRKHY-VXNVDRBHSA-N 1 2 335.282 2.481 20 5 EEBDLO Cc1ccc(NCCN(C)C(=O)CCc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC001102054670 1300210445 /nfs/dbraw/zinc/21/04/45/1300210445.db2.gz SEMYCDIJSKNXCI-UHFFFAOYSA-N 1 2 345.403 2.140 20 5 EEBDLO C[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2I)C1 ZINC001226031401 1301239600 /nfs/dbraw/zinc/23/96/00/1301239600.db2.gz BRVCUDFHLHWWTH-VIFPVBQESA-N 1 2 348.140 2.282 20 5 EEBDLO C[N@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2I)C1 ZINC001226031401 1301239603 /nfs/dbraw/zinc/23/96/03/1301239603.db2.gz BRVCUDFHLHWWTH-VIFPVBQESA-N 1 2 348.140 2.282 20 5 EEBDLO COc1nc(C)cc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001116599476 1305903963 /nfs/dbraw/zinc/90/39/63/1305903963.db2.gz YMYXXEFEUCOBMR-UHFFFAOYSA-N 1 2 343.387 2.024 20 5 EEBDLO CO[C@@H]1C[C@@H]([N@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC000840141920 1315307037 /nfs/dbraw/zinc/30/70/37/1315307037.db2.gz SCSSNRYMFUBOBO-ZIAGYGMSSA-N 1 2 347.371 2.350 20 5 EEBDLO CO[C@@H]1C[C@@H]([N@@H+](C)Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C12CCC2 ZINC000840141920 1315307041 /nfs/dbraw/zinc/30/70/41/1315307041.db2.gz SCSSNRYMFUBOBO-ZIAGYGMSSA-N 1 2 347.371 2.350 20 5 EEBDLO [NH3+][C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCc2ccccc21 ZINC001249236386 1317031626 /nfs/dbraw/zinc/03/16/26/1317031626.db2.gz WSMXUDBVFIPHMJ-MRXNPFEDSA-N 1 2 341.302 2.327 20 5 EEBDLO C[C@@H]1C[NH+](CCc2nnc(-c3cc(O)ccc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC001258146588 1319188768 /nfs/dbraw/zinc/18/87/68/1319188768.db2.gz PIJBYWTYCBXILJ-GHMZBOCLSA-N 1 2 348.359 2.002 20 5 EEBDLO C[C@H]1C[NH+](CCc2nnc(-c3cc(O)cc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC001258154640 1319194642 /nfs/dbraw/zinc/19/46/42/1319194642.db2.gz XKVDWQANZVQULO-QWRGUYRKSA-N 1 2 348.359 2.002 20 5 EEBDLO O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC001160719005 1320244932 /nfs/dbraw/zinc/24/49/32/1320244932.db2.gz AQDIICMJFFAMFL-NWDGAFQWSA-N 1 2 326.784 2.308 20 5 EEBDLO CC1(C)C[N@@H+](C2CN(c3ncc([N+](=O)[O-])c4ccccc43)C2)CCO1 ZINC001165132380 1321462092 /nfs/dbraw/zinc/46/20/92/1321462092.db2.gz WTTNPYRQUKQECY-UHFFFAOYSA-N 1 2 342.399 2.442 20 5 EEBDLO CC1(C)C[N@H+](C2CN(c3ncc([N+](=O)[O-])c4ccccc43)C2)CCO1 ZINC001165132380 1321462097 /nfs/dbraw/zinc/46/20/97/1321462097.db2.gz WTTNPYRQUKQECY-UHFFFAOYSA-N 1 2 342.399 2.442 20 5 EEBDLO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001318305532 1332507570 /nfs/dbraw/zinc/50/75/70/1332507570.db2.gz FXGYIMQKSGKIHA-CYBMUJFWSA-N 1 2 329.360 2.310 20 5 EEBDLO C[C@H](C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)n1cc[nH+]c1 ZINC001318908225 1332622091 /nfs/dbraw/zinc/62/20/91/1332622091.db2.gz WGSKGRNLOMAAOP-CYBMUJFWSA-N 1 2 344.371 2.422 20 5 EEBDLO COCn1ncc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001336672400 1336578831 /nfs/dbraw/zinc/57/88/31/1336578831.db2.gz GWNGAPPYDNNXJY-UHFFFAOYSA-N 1 2 345.403 2.026 20 5 EEBDLO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001336674075 1336579103 /nfs/dbraw/zinc/57/91/03/1336579103.db2.gz SPHBGZTWZMCRTK-UHFFFAOYSA-N 1 2 334.401 2.382 20 5 EEBDLO O=[N+]([O-])c1cc(NCc2ccn3cc[nH+]c3c2)ccc1-c1nn[nH]n1 ZINC001607079398 1351408390 /nfs/dbraw/zinc/40/83/90/1351408390.db2.gz HCYVHNAOCJWZQF-UHFFFAOYSA-N 1 2 336.315 2.035 20 5 EEBDLO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000852518087 1369279019 /nfs/dbraw/zinc/27/90/19/1369279019.db2.gz CUWZGSCAGYJOMG-UHFFFAOYSA-N 1 2 339.779 2.465 20 5 EEBDLO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000852518087 1369279024 /nfs/dbraw/zinc/27/90/24/1369279024.db2.gz CUWZGSCAGYJOMG-UHFFFAOYSA-N 1 2 339.779 2.465 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111920319 1371313155 /nfs/dbraw/zinc/31/31/55/1371313155.db2.gz MFDATDNKAJQPPS-UHFFFAOYSA-N 1 2 343.387 2.402 20 5 EEBDLO O=C(CCc1c[nH+]c[nH]1)NCC1(Nc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001111920319 1371313161 /nfs/dbraw/zinc/31/31/61/1371313161.db2.gz MFDATDNKAJQPPS-UHFFFAOYSA-N 1 2 343.387 2.402 20 5 EEBDLO CC(C)N(CCN(C)c1ccccc1[N+](=O)[O-])C(=O)Cc1[nH]cc[nH+]1 ZINC001125579197 760241094 /nfs/dbraw/zinc/24/10/94/760241094.db2.gz DBCOLPIYCBJWFL-UHFFFAOYSA-N 1 2 345.403 2.234 20 5 EEBDLO O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC001091451240 790909659 /nfs/dbraw/zinc/90/96/59/790909659.db2.gz YVODULYMGDJJJI-JOCQHMNTSA-N 1 2 343.387 2.257 20 5 EEBDLO CCCCCNC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000030545274 794339736 /nfs/dbraw/zinc/33/97/36/794339736.db2.gz WMYGTOLWTLYKPG-HNNXBMFYSA-N 1 2 348.447 2.412 20 5 EEBDLO Cc1cc(NCCNC(=O)c2cc3c[nH+]ccc3[nH]2)ncc1[N+](=O)[O-] ZINC001094236085 796028072 /nfs/dbraw/zinc/02/80/72/796028072.db2.gz OHUQPNBUWODGRR-UHFFFAOYSA-N 1 2 340.343 2.016 20 5 EEBDLO CCN(CCNc1ccc([N+](=O)[O-])cc1)C(=O)CCc1[nH]cc[nH+]1 ZINC001106759300 796472680 /nfs/dbraw/zinc/47/26/80/796472680.db2.gz KQHYZIUKSYBZNC-UHFFFAOYSA-N 1 2 331.376 2.211 20 5 EEBDLO O=C(NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1)c1cccnc1 ZINC001002215459 797719475 /nfs/dbraw/zinc/71/94/75/797719475.db2.gz RSWHESGBOHCCPF-UHFFFAOYSA-N 1 2 346.412 2.446 20 5 EEBDLO COC(=O)c1cc([N+](=O)[O-])ncc1NCCc1cn2ccccc2[nH+]1 ZINC001169008442 803569372 /nfs/dbraw/zinc/56/93/72/803569372.db2.gz FFUBGEWWCHWKKG-UHFFFAOYSA-N 1 2 341.327 2.079 20 5 EEBDLO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2nnc(C(F)(F)F)n21 ZINC001169044539 803585268 /nfs/dbraw/zinc/58/52/68/803585268.db2.gz IEWQSTDDKJLTTI-UTLUCORTSA-N 1 2 333.314 2.119 20 5 EEBDLO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2nnc(C(F)(F)F)n21 ZINC001169044539 803585274 /nfs/dbraw/zinc/58/52/74/803585274.db2.gz IEWQSTDDKJLTTI-UTLUCORTSA-N 1 2 333.314 2.119 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000792874666 810048561 /nfs/dbraw/zinc/04/85/61/810048561.db2.gz GEAIUPWOZAKYPL-CQSZACIVSA-N 1 2 335.291 2.465 20 5 EEBDLO CCOC1CC([N@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000808212424 812535786 /nfs/dbraw/zinc/53/57/86/812535786.db2.gz OTISAZXDVHHFDW-UHFFFAOYSA-N 1 2 333.186 2.011 20 5 EEBDLO CCOC1CC([N@@H+](C)Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000808212424 812535792 /nfs/dbraw/zinc/53/57/92/812535792.db2.gz OTISAZXDVHHFDW-UHFFFAOYSA-N 1 2 333.186 2.011 20 5 EEBDLO C[C@H]([NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1)c1nncn1C ZINC000037293646 213138851 /nfs/dbraw/zinc/13/88/51/213138851.db2.gz BMVYACGPGFXFFH-QMMMGPOBSA-N 1 2 340.181 2.337 20 5 EEBDLO COc1cccc(C(=O)NCCCNc2cccc[nH+]2)c1[N+](=O)[O-] ZINC000192592852 237324106 /nfs/dbraw/zinc/32/41/06/237324106.db2.gz DVJMELUHDSARRR-UHFFFAOYSA-N 1 2 330.344 2.230 20 5 EEBDLO CC[C@H]1C[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000072862836 216320934 /nfs/dbraw/zinc/32/09/34/216320934.db2.gz YFMIJJPGPXIJFG-LBPRGKRZSA-N 1 2 339.417 2.369 20 5 EEBDLO CC[C@H]1C[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCS1 ZINC000072862836 216320935 /nfs/dbraw/zinc/32/09/35/216320935.db2.gz YFMIJJPGPXIJFG-LBPRGKRZSA-N 1 2 339.417 2.369 20 5 EEBDLO CCCCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000072950916 216330851 /nfs/dbraw/zinc/33/08/51/216330851.db2.gz PEHAAJCSMNSYII-UHFFFAOYSA-N 1 2 341.433 2.091 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@H]1CCC[C@@H]1CCO ZINC000447815775 242319744 /nfs/dbraw/zinc/31/97/44/242319744.db2.gz HLGYNHXLCRZLMD-CVEARBPZSA-N 1 2 349.431 2.390 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCC1(CO)CCC1 ZINC000447811967 242319801 /nfs/dbraw/zinc/31/98/01/242319801.db2.gz IYBRNKBQVLPUSF-UHFFFAOYSA-N 1 2 335.404 2.002 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1N[C@@H]1CC12CCOCC2 ZINC000450786559 242907068 /nfs/dbraw/zinc/90/70/68/242907068.db2.gz AMSODXWPAYAEGL-QGZVFWFLSA-N 1 2 347.415 2.408 20 5 EEBDLO CCOC1CC(N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000451761991 243249225 /nfs/dbraw/zinc/24/92/25/243249225.db2.gz ZCNKAMITXJEIIN-UHFFFAOYSA-N 1 2 344.371 2.420 20 5 EEBDLO C[C@H]1C[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c2[nH+]ccn21 ZINC000455458987 244002905 /nfs/dbraw/zinc/00/29/05/244002905.db2.gz ADSPQMNXALDHKU-SMDDNHRTSA-N 1 2 344.375 2.208 20 5 EEBDLO Cc1c(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000459789729 245248923 /nfs/dbraw/zinc/24/89/23/245248923.db2.gz LYLSLJWVKMICPO-NWDGAFQWSA-N 1 2 331.376 2.315 20 5 EEBDLO C[C@H]([C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCOCC1 ZINC000264228721 246213318 /nfs/dbraw/zinc/21/33/18/246213318.db2.gz ICTGKNYLACIJLG-NWDGAFQWSA-N 1 2 347.371 2.180 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492299891 246390821 /nfs/dbraw/zinc/39/08/21/246390821.db2.gz ADOYZGKVDXGYBR-HSBHDXMMSA-N 1 2 344.346 2.497 20 5 EEBDLO Cc1cc([N+](=O)[O-])nn1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000097114095 218962694 /nfs/dbraw/zinc/96/26/94/218962694.db2.gz RETBCJSHEMMHBO-CYBMUJFWSA-N 1 2 329.360 2.127 20 5 EEBDLO Cc1cc(NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000153755639 224153371 /nfs/dbraw/zinc/15/33/71/224153371.db2.gz TXRHBEUUAPWJAZ-OLZOCXBDSA-N 1 2 336.392 2.134 20 5 EEBDLO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000270760569 256169030 /nfs/dbraw/zinc/16/90/30/256169030.db2.gz QGQSMYVHKYNERD-RISCZKNCSA-N 1 2 347.337 2.197 20 5 EEBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000270760569 256169032 /nfs/dbraw/zinc/16/90/32/256169032.db2.gz QGQSMYVHKYNERD-RISCZKNCSA-N 1 2 347.337 2.197 20 5 EEBDLO O=[N+]([O-])c1ccccc1NCCc1noc(CCn2cc[nH+]c2)n1 ZINC000273725423 256321593 /nfs/dbraw/zinc/32/15/93/256321593.db2.gz AIBQHKQPDFOJAG-UHFFFAOYSA-N 1 2 328.332 2.072 20 5 EEBDLO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)Cn1cc[nH+]c1 ZINC000081805637 159158306 /nfs/dbraw/zinc/15/83/06/159158306.db2.gz NEBAEXCNJNEIRH-NSHDSACASA-N 1 2 336.779 2.440 20 5 EEBDLO Cc1ncsc1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000355005651 163047356 /nfs/dbraw/zinc/04/73/56/163047356.db2.gz XJJRJSMBZPIYSD-UHFFFAOYSA-N 1 2 343.368 2.475 20 5 EEBDLO O=C(NC1CC1)N[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000355099109 163081317 /nfs/dbraw/zinc/08/13/17/163081317.db2.gz MMWHZHNERHMDGV-LBPRGKRZSA-N 1 2 338.795 2.284 20 5 EEBDLO O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000355099109 163081319 /nfs/dbraw/zinc/08/13/19/163081319.db2.gz MMWHZHNERHMDGV-LBPRGKRZSA-N 1 2 338.795 2.284 20 5 EEBDLO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356233360 163373630 /nfs/dbraw/zinc/37/36/30/163373630.db2.gz ZYUOPXWLMNVOIN-OAHLLOKOSA-N 1 2 345.355 2.460 20 5 EEBDLO Cc1cc(NC[C@H]2C[NH+]3CCN2CC3)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360052717 164224640 /nfs/dbraw/zinc/22/46/40/164224640.db2.gz QCLBIHHTANSRSA-NSHDSACASA-N 1 2 344.337 2.334 20 5 EEBDLO Cc1cc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc([N+](=O)[O-])c1 ZINC000368788223 166127810 /nfs/dbraw/zinc/12/78/10/166127810.db2.gz MTMCVQIBSZEQFG-UHFFFAOYSA-N 1 2 328.372 2.409 20 5 EEBDLO CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000376021995 167246287 /nfs/dbraw/zinc/24/62/87/167246287.db2.gz BCRXZZWCVBGEEA-UHFFFAOYSA-N 1 2 330.344 2.105 20 5 EEBDLO CC(C)[NH+]1CC(NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000457751404 275939936 /nfs/dbraw/zinc/93/99/36/275939936.db2.gz YHIAWOGDQHXQCS-UHFFFAOYSA-N 1 2 331.294 2.436 20 5 EEBDLO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](c2ccccc2)CO1 ZINC000159863821 288183262 /nfs/dbraw/zinc/18/32/62/288183262.db2.gz OYUNNJOIJYZNGK-PBHICJAKSA-N 1 2 343.383 2.219 20 5 EEBDLO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H](c2ccccc2)CO1 ZINC000159863821 288183267 /nfs/dbraw/zinc/18/32/67/288183267.db2.gz OYUNNJOIJYZNGK-PBHICJAKSA-N 1 2 343.383 2.219 20 5 EEBDLO O=C1CN(c2ccc(Nc3ccc(Cl)cc3[N+](=O)[O-])c[nH+]2)CCN1 ZINC000301107455 294823310 /nfs/dbraw/zinc/82/33/10/294823310.db2.gz WQBLEQDCPJFUTE-UHFFFAOYSA-N 1 2 347.762 2.323 20 5 EEBDLO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H](O)C(F)(F)F ZINC000444677321 315315882 /nfs/dbraw/zinc/31/58/82/315315882.db2.gz STKDOUFUWSZJQO-NSHDSACASA-N 1 2 332.282 2.216 20 5 EEBDLO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H](O)C(F)(F)F ZINC000444677321 315315885 /nfs/dbraw/zinc/31/58/85/315315885.db2.gz STKDOUFUWSZJQO-NSHDSACASA-N 1 2 332.282 2.216 20 5 EEBDLO Cc1cc(C)c(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000452046038 315489591 /nfs/dbraw/zinc/48/95/91/315489591.db2.gz USTXSOASFLANAV-UHFFFAOYSA-N 1 2 349.412 2.269 20 5 EEBDLO CN(C)C(=O)OC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000495725940 316075175 /nfs/dbraw/zinc/07/51/75/316075175.db2.gz DPUFZKVRRAWELQ-UHFFFAOYSA-N 1 2 347.375 2.134 20 5 EEBDLO CCCC[C@@H](C(=O)OC)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000524069940 317006811 /nfs/dbraw/zinc/00/68/11/317006811.db2.gz JEZQCHDSAKXABG-INIZCTEOSA-N 1 2 335.404 2.449 20 5 EEBDLO Cc1nn(C(C)C)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000547395708 318285020 /nfs/dbraw/zinc/28/50/20/318285020.db2.gz HJTFWMGUFSSEIX-UHFFFAOYSA-N 1 2 344.419 2.398 20 5 EEBDLO Cc1cc(NC[C@@H](CO)C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000561409153 318841804 /nfs/dbraw/zinc/84/18/04/318841804.db2.gz WYLKVDGHXVVAFJ-AWEZNQCLSA-N 1 2 330.388 2.459 20 5 EEBDLO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000296074754 465073305 /nfs/dbraw/zinc/07/33/05/465073305.db2.gz RILMKQAADQEYFR-UHFFFAOYSA-N 1 2 342.355 2.041 20 5 EEBDLO COc1c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cccc1[N+](=O)[O-] ZINC000354809145 465164958 /nfs/dbraw/zinc/16/49/58/465164958.db2.gz RSWZQILKIYRLKL-UHFFFAOYSA-N 1 2 348.384 2.300 20 5 EEBDLO COc1c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cccc1[N+](=O)[O-] ZINC000354809145 465164964 /nfs/dbraw/zinc/16/49/64/465164964.db2.gz RSWZQILKIYRLKL-UHFFFAOYSA-N 1 2 348.384 2.300 20 5 EEBDLO COc1c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000356391170 465356606 /nfs/dbraw/zinc/35/66/06/465356606.db2.gz KGMIXEMPMMQMNO-CYBMUJFWSA-N 1 2 343.339 2.292 20 5 EEBDLO CCN1CC[NH+](C[C@H](C)CNc2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000060380202 462545227 /nfs/dbraw/zinc/54/52/27/462545227.db2.gz WAMQWUHNIQZMIW-CQSZACIVSA-N 1 2 348.447 2.483 20 5 EEBDLO CCCCOCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000088525810 462634291 /nfs/dbraw/zinc/63/42/91/462634291.db2.gz OKIPZDGWVWQJIZ-UHFFFAOYSA-N 1 2 335.404 2.169 20 5 EEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000075534246 462727830 /nfs/dbraw/zinc/72/78/30/462727830.db2.gz UVSCSQZXBLUJCM-CYBMUJFWSA-N 1 2 344.371 2.493 20 5 EEBDLO COc1ccc(Cn2c3ccccc3[nH+]c2NCCO)cc1[N+](=O)[O-] ZINC000047369942 462773666 /nfs/dbraw/zinc/77/36/66/462773666.db2.gz JPBQTTQQVXJKGW-UHFFFAOYSA-N 1 2 342.355 2.406 20 5 EEBDLO CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744766 462820398 /nfs/dbraw/zinc/82/03/98/462820398.db2.gz KDSLDRDAIHCQFJ-KBPBESRZSA-N 1 2 334.420 2.020 20 5 EEBDLO COc1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000091083129 462831850 /nfs/dbraw/zinc/83/18/50/462831850.db2.gz DZMVJCGFPZFJEI-UHFFFAOYSA-N 1 2 329.347 2.376 20 5 EEBDLO COc1ccc(C[N@H+]2CCCN(CC(F)F)CC2)cc1[N+](=O)[O-] ZINC000091083129 462831855 /nfs/dbraw/zinc/83/18/55/462831855.db2.gz DZMVJCGFPZFJEI-UHFFFAOYSA-N 1 2 329.347 2.376 20 5 EEBDLO CO[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000076347147 462846730 /nfs/dbraw/zinc/84/67/30/462846730.db2.gz FYJHKAMWYSAAFR-LLVKDONJSA-N 1 2 327.768 2.298 20 5 EEBDLO CO[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000076347147 462846736 /nfs/dbraw/zinc/84/67/36/462846736.db2.gz FYJHKAMWYSAAFR-LLVKDONJSA-N 1 2 327.768 2.298 20 5 EEBDLO CCN(CC)C(=O)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076945913 462925229 /nfs/dbraw/zinc/92/52/29/462925229.db2.gz WGVGRGQDMKXTJG-UHFFFAOYSA-N 1 2 334.420 2.217 20 5 EEBDLO O=C(COc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000120727649 463031508 /nfs/dbraw/zinc/03/15/08/463031508.db2.gz YIMRJWIRBZDOTH-AWEZNQCLSA-N 1 2 330.344 2.451 20 5 EEBDLO Cc1nn(C)c(NCc2cccc(Cn3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000051856320 463051649 /nfs/dbraw/zinc/05/16/49/463051649.db2.gz DKRSGYDNGIXEHU-UHFFFAOYSA-N 1 2 326.360 2.494 20 5 EEBDLO Cc1cnc(N2CC[NH+](Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 ZINC000078657204 463137532 /nfs/dbraw/zinc/13/75/32/463137532.db2.gz GSQSXVDJBAOTNC-UHFFFAOYSA-N 1 2 328.372 2.326 20 5 EEBDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc([N+](=O)[O-])c1 ZINC000121908425 463216434 /nfs/dbraw/zinc/21/64/34/463216434.db2.gz JTVCQXVRZPJIDK-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000080656768 463342506 /nfs/dbraw/zinc/34/25/06/463342506.db2.gz GOTWJRZKCZTDJL-CYBMUJFWSA-N 1 2 333.388 2.104 20 5 EEBDLO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000080656768 463342513 /nfs/dbraw/zinc/34/25/13/463342513.db2.gz GOTWJRZKCZTDJL-CYBMUJFWSA-N 1 2 333.388 2.104 20 5 EEBDLO COc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000161340964 463422790 /nfs/dbraw/zinc/42/27/90/463422790.db2.gz WISNXUWKODNPJK-ZDUSSCGKSA-N 1 2 342.355 2.007 20 5 EEBDLO O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCn1cc[nH+]c1 ZINC000041816552 463511512 /nfs/dbraw/zinc/51/15/12/463511512.db2.gz PVGWSLAYHWITIA-UHFFFAOYSA-N 1 2 346.390 2.168 20 5 EEBDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185118521 463754965 /nfs/dbraw/zinc/75/49/65/463754965.db2.gz JDBVBVGJLRGEIV-BSNNYGBQSA-N 1 2 337.401 2.449 20 5 EEBDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185118521 463754970 /nfs/dbraw/zinc/75/49/70/463754970.db2.gz JDBVBVGJLRGEIV-BSNNYGBQSA-N 1 2 337.401 2.449 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000194739355 463920410 /nfs/dbraw/zinc/92/04/10/463920410.db2.gz LWQAQTPHHPXLCR-LBPRGKRZSA-N 1 2 335.385 2.395 20 5 EEBDLO CCC[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOC1 ZINC000287818143 464010616 /nfs/dbraw/zinc/01/06/16/464010616.db2.gz KPLUIZPJTGEROO-QGZVFWFLSA-N 1 2 344.371 2.470 20 5 EEBDLO CNC(=O)CCCN(C)c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000269863092 464114471 /nfs/dbraw/zinc/11/44/71/464114471.db2.gz JTGGQVFBZYKBLG-UHFFFAOYSA-N 1 2 343.387 2.323 20 5 EEBDLO C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000269904100 464125441 /nfs/dbraw/zinc/12/54/41/464125441.db2.gz MSJHGCDKXMLYSB-JSGCOSHPSA-N 1 2 344.371 2.156 20 5 EEBDLO CC(=O)NC[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000284258173 464127190 /nfs/dbraw/zinc/12/71/90/464127190.db2.gz RSPAJBJDGNTDGO-LLVKDONJSA-N 1 2 327.331 2.221 20 5 EEBDLO CC(=O)NC[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000284258173 464127192 /nfs/dbraw/zinc/12/71/92/464127192.db2.gz RSPAJBJDGNTDGO-LLVKDONJSA-N 1 2 327.331 2.221 20 5 EEBDLO O=C(C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)NCC1CC1 ZINC000180390004 464300827 /nfs/dbraw/zinc/30/08/27/464300827.db2.gz IDIWOPLQGYCMNI-UHFFFAOYSA-N 1 2 346.412 2.334 20 5 EEBDLO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000285241896 464497090 /nfs/dbraw/zinc/49/70/90/464497090.db2.gz BUDHKRFVNWZLMA-AWEZNQCLSA-N 1 2 329.360 2.144 20 5 EEBDLO NC(=O)c1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000285241896 464497099 /nfs/dbraw/zinc/49/70/99/464497099.db2.gz BUDHKRFVNWZLMA-AWEZNQCLSA-N 1 2 329.360 2.144 20 5 EEBDLO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182140199 464580950 /nfs/dbraw/zinc/58/09/50/464580950.db2.gz DHOQIIGVQVEMEB-ZDUSSCGKSA-N 1 2 335.404 2.398 20 5 EEBDLO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182140199 464580954 /nfs/dbraw/zinc/58/09/54/464580954.db2.gz DHOQIIGVQVEMEB-ZDUSSCGKSA-N 1 2 335.404 2.398 20 5 EEBDLO CC(=O)N1CC[NH+](CCNc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000276498384 464956082 /nfs/dbraw/zinc/95/60/82/464956082.db2.gz RCPKHYPMXQXWOB-UHFFFAOYSA-N 1 2 340.811 2.133 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000339545417 465336087 /nfs/dbraw/zinc/33/60/87/465336087.db2.gz YRWCFIUESQHZKZ-CYBMUJFWSA-N 1 2 329.360 2.027 20 5 EEBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000339739651 465478587 /nfs/dbraw/zinc/47/85/87/465478587.db2.gz TWIJRONSXNDADO-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO CC(C)(CNc1nc2ccccc2cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000352358203 465519889 /nfs/dbraw/zinc/51/98/89/465519889.db2.gz WKWGLHBSGQMDDE-UHFFFAOYSA-N 1 2 330.388 2.666 20 5 EEBDLO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1noc(Cc2ccccc2)n1 ZINC000348309915 465544295 /nfs/dbraw/zinc/54/42/95/465544295.db2.gz TTWDEJBKZNRSMC-LBPRGKRZSA-N 1 2 342.359 2.116 20 5 EEBDLO C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000593948561 468442438 /nfs/dbraw/zinc/44/24/38/468442438.db2.gz MYWBMTSTMXSKQQ-CQSZACIVSA-N 1 2 347.371 2.349 20 5 EEBDLO O=C(C[N@@H+]1CC2CCC1CC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000362340304 465664221 /nfs/dbraw/zinc/66/42/21/465664221.db2.gz KSUSNOZRNIYUCZ-UHFFFAOYSA-N 1 2 333.344 2.136 20 5 EEBDLO O=C(C[N@H+]1CC2CCC1CC2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000362340304 465664226 /nfs/dbraw/zinc/66/42/26/465664226.db2.gz KSUSNOZRNIYUCZ-UHFFFAOYSA-N 1 2 333.344 2.136 20 5 EEBDLO CCOC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000366609219 465833156 /nfs/dbraw/zinc/83/31/56/465833156.db2.gz PCEHKGXBIZEPCI-UHFFFAOYSA-N 1 2 337.376 2.268 20 5 EEBDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000366609219 465833159 /nfs/dbraw/zinc/83/31/59/465833159.db2.gz PCEHKGXBIZEPCI-UHFFFAOYSA-N 1 2 337.376 2.268 20 5 EEBDLO Cn1cc(C[N@H+](C)Cc2cnc[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597171341 468470181 /nfs/dbraw/zinc/47/01/81/468470181.db2.gz KKLRPEKFTANHEW-UHFFFAOYSA-N 1 2 326.360 2.350 20 5 EEBDLO Cn1cc(C[N@@H+](C)Cc2cnc[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597171341 468470188 /nfs/dbraw/zinc/47/01/88/468470188.db2.gz KKLRPEKFTANHEW-UHFFFAOYSA-N 1 2 326.360 2.350 20 5 EEBDLO Cn1cc(C[N@H+](C)Cc2c[nH]cn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597171341 468470192 /nfs/dbraw/zinc/47/01/92/468470192.db2.gz KKLRPEKFTANHEW-UHFFFAOYSA-N 1 2 326.360 2.350 20 5 EEBDLO Cn1cc(C[N@@H+](C)Cc2c[nH]cn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597171341 468470197 /nfs/dbraw/zinc/47/01/97/468470197.db2.gz KKLRPEKFTANHEW-UHFFFAOYSA-N 1 2 326.360 2.350 20 5 EEBDLO NC(=O)c1ccnc(Oc2cccc(-n3cc[nH+]c3)c2)c1[N+](=O)[O-] ZINC000357508506 466090274 /nfs/dbraw/zinc/09/02/74/466090274.db2.gz HXXQQGYCROOZHW-UHFFFAOYSA-N 1 2 325.284 2.067 20 5 EEBDLO CC[C@@H](O)CCCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000357526068 466104995 /nfs/dbraw/zinc/10/49/95/466104995.db2.gz DRJCNYDDGCUXDE-OAHLLOKOSA-N 1 2 337.420 2.390 20 5 EEBDLO CCOc1cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000372813618 466599823 /nfs/dbraw/zinc/59/98/23/466599823.db2.gz VOCAGQLNVCJULB-RDJZCZTQSA-N 1 2 336.388 2.373 20 5 EEBDLO CCOc1cc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000372813618 466599830 /nfs/dbraw/zinc/59/98/30/466599830.db2.gz VOCAGQLNVCJULB-RDJZCZTQSA-N 1 2 336.388 2.373 20 5 EEBDLO CCOc1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000372813615 466600042 /nfs/dbraw/zinc/60/00/42/466600042.db2.gz VOCAGQLNVCJULB-DOTOQJQBSA-N 1 2 336.388 2.373 20 5 EEBDLO CCOc1cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccc1[N+](=O)[O-] ZINC000372813615 466600045 /nfs/dbraw/zinc/60/00/45/466600045.db2.gz VOCAGQLNVCJULB-DOTOQJQBSA-N 1 2 336.388 2.373 20 5 EEBDLO CCn1nccc1C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429709216 467360636 /nfs/dbraw/zinc/36/06/36/467360636.db2.gz PCINLIFWCASHCZ-GFCCVEGCSA-N 1 2 331.376 2.270 20 5 EEBDLO CCn1nccc1C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429709216 467360638 /nfs/dbraw/zinc/36/06/38/467360638.db2.gz PCINLIFWCASHCZ-GFCCVEGCSA-N 1 2 331.376 2.270 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000430217062 467408545 /nfs/dbraw/zinc/40/85/45/467408545.db2.gz GIPFANSGWWZOKO-CYBMUJFWSA-N 1 2 334.294 2.493 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000430217062 467408550 /nfs/dbraw/zinc/40/85/50/467408550.db2.gz GIPFANSGWWZOKO-CYBMUJFWSA-N 1 2 334.294 2.493 20 5 EEBDLO C[C@H]1C[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)c2[nH+]ccn21 ZINC000454730599 467612495 /nfs/dbraw/zinc/61/24/95/467612495.db2.gz SPBYFKFGJRCWHQ-SMDDNHRTSA-N 1 2 329.360 2.339 20 5 EEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449655722 467679180 /nfs/dbraw/zinc/67/91/80/467679180.db2.gz HPRMABNKPJWNJO-SNVBAGLBSA-N 1 2 347.749 2.152 20 5 EEBDLO CO[C@@H]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450414539 467846952 /nfs/dbraw/zinc/84/69/52/467846952.db2.gz YSLBXPWIUSPZGX-XJKSGUPXSA-N 1 2 344.371 2.325 20 5 EEBDLO C[N@H+](CCNC(=O)OC(C)(C)C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000497170344 467868665 /nfs/dbraw/zinc/86/86/65/467868665.db2.gz WYGNQIODWRETAS-UHFFFAOYSA-N 1 2 349.391 2.359 20 5 EEBDLO C[N@@H+](CCNC(=O)OC(C)(C)C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000497170344 467868667 /nfs/dbraw/zinc/86/86/67/467868667.db2.gz WYGNQIODWRETAS-UHFFFAOYSA-N 1 2 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C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000124676296 463451109 /nfs/dbraw/zinc/45/11/09/463451109.db2.gz YCAACLURELXABD-CJNGLKHVSA-N 1 2 328.372 2.444 20 5 EEBDLO CC(=O)c1ccc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c([N+](=O)[O-])c1 ZINC000071922395 463476045 /nfs/dbraw/zinc/47/60/45/463476045.db2.gz NTFBQWZNKLMUDV-LLVKDONJSA-N 1 2 348.428 2.411 20 5 EEBDLO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccn1 ZINC000125381403 463537949 /nfs/dbraw/zinc/53/79/49/463537949.db2.gz NCADJDHPMLRWIW-UHFFFAOYSA-N 1 2 344.371 2.459 20 5 EEBDLO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccccn1 ZINC000125381403 463537958 /nfs/dbraw/zinc/53/79/58/463537958.db2.gz NCADJDHPMLRWIW-UHFFFAOYSA-N 1 2 344.371 2.459 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000163000945 463556796 /nfs/dbraw/zinc/55/67/96/463556796.db2.gz SPKYEZVJOIKHSM-CHWSQXEVSA-N 1 2 336.392 2.134 20 5 EEBDLO CN(CCCn1cc[nH+]c1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000126138021 463610009 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ZINC000294966615 464664884 /nfs/dbraw/zinc/66/48/84/464664884.db2.gz FIGSILUPEIOUFE-OAHLLOKOSA-N 1 2 332.404 2.486 20 5 EEBDLO Cc1nc(CN2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)no1 ZINC000182875928 464747947 /nfs/dbraw/zinc/74/79/47/464747947.db2.gz FKAZEGZUMYJYAV-ZDUSSCGKSA-N 1 2 345.403 2.473 20 5 EEBDLO CC(=O)c1ccc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286202416 464837882 /nfs/dbraw/zinc/83/78/82/464837882.db2.gz BVIJVZUZYXYQAZ-IUODEOHRSA-N 1 2 333.388 2.097 20 5 EEBDLO C[C@H]1C[NH+]=C(N2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)S1 ZINC000276310805 464885030 /nfs/dbraw/zinc/88/50/30/464885030.db2.gz MEPQNGOYOPNMEC-NSHDSACASA-N 1 2 338.408 2.343 20 5 EEBDLO COc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000286487418 464936398 /nfs/dbraw/zinc/93/63/98/464936398.db2.gz XCHYKXHFVDTEBG-VXGBXAGGSA-N 1 2 339.367 2.042 20 5 EEBDLO COc1cc(OCC(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)ccc1[N+](=O)[O-] ZINC000282941218 465009864 /nfs/dbraw/zinc/00/98/64/465009864.db2.gz HHOIUKFCQRBIQS-OAHLLOKOSA-N 1 2 348.359 2.219 20 5 EEBDLO C[C@H](O)C[NH+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000343036944 465469212 /nfs/dbraw/zinc/46/92/12/465469212.db2.gz ZOOYWKKMSAKDDA-VIFPVBQESA-N 1 2 334.203 2.404 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000371052024 465572558 /nfs/dbraw/zinc/57/25/58/465572558.db2.gz BANXNDLEDICQNY-ZDUSSCGKSA-N 1 2 329.360 2.027 20 5 EEBDLO Cn1ccnc1[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000348418397 465594686 /nfs/dbraw/zinc/59/46/86/465594686.db2.gz XHCRLZOVKMYIRK-OAHLLOKOSA-N 1 2 349.822 2.470 20 5 EEBDLO Cn1ccnc1[C@H]1C[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])CCN1C ZINC000348418397 465594691 /nfs/dbraw/zinc/59/46/91/465594691.db2.gz XHCRLZOVKMYIRK-OAHLLOKOSA-N 1 2 349.822 2.470 20 5 EEBDLO CN(C)c1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000357343810 465966389 /nfs/dbraw/zinc/96/63/89/465966389.db2.gz PFOMIOXWPKGUSY-UHFFFAOYSA-N 1 2 332.335 2.054 20 5 EEBDLO Cc1ccncc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000353660619 466047064 /nfs/dbraw/zinc/04/70/64/466047064.db2.gz MZFKRSJQFRKWHI-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO Cn1nnc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)n1 ZINC000362956523 466145967 /nfs/dbraw/zinc/14/59/67/466145967.db2.gz ZHDQILHGYJPANG-UHFFFAOYSA-N 1 2 330.373 2.137 20 5 EEBDLO CO[C@H](CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C1CC1 ZINC000338779658 466373714 /nfs/dbraw/zinc/37/37/14/466373714.db2.gz VHNDGMCORLIRRK-QGZVFWFLSA-N 1 2 335.404 2.264 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365566014 466864653 /nfs/dbraw/zinc/86/46/53/466864653.db2.gz CZKREIMJIDTFCG-LBPRGKRZSA-N 1 2 344.371 2.357 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000411847518 466916826 /nfs/dbraw/zinc/91/68/26/466916826.db2.gz RFFKMZMIUXJKMH-UHFFFAOYSA-N 1 2 343.387 2.024 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411847518 466916829 /nfs/dbraw/zinc/91/68/29/466916829.db2.gz RFFKMZMIUXJKMH-UHFFFAOYSA-N 1 2 343.387 2.024 20 5 EEBDLO Cc1ccc(CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[nH+]c1 ZINC000413356209 467224110 /nfs/dbraw/zinc/22/41/10/467224110.db2.gz SYHCDAZFPLHIDF-UHFFFAOYSA-N 1 2 341.414 2.418 20 5 EEBDLO CC(C)OC[C@@H](CO)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433130224 467295084 /nfs/dbraw/zinc/29/50/84/467295084.db2.gz HECIUSZNSRNGJT-MRXNPFEDSA-N 1 2 349.387 2.468 20 5 EEBDLO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000433130224 467295088 /nfs/dbraw/zinc/29/50/88/467295088.db2.gz HECIUSZNSRNGJT-MRXNPFEDSA-N 1 2 349.387 2.468 20 5 EEBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000452336081 467349707 /nfs/dbraw/zinc/34/97/07/467349707.db2.gz SYLNIRFOGUNYEJ-UHFFFAOYSA-N 1 2 344.327 2.151 20 5 EEBDLO O=C(NC[C@@H]1CC[NH2+]CC1(F)F)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000449649036 467676272 /nfs/dbraw/zinc/67/62/72/467676272.db2.gz IESFOLVYEKVVKJ-JTQLQIEISA-N 1 2 339.298 2.316 20 5 EEBDLO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000493211817 467862751 /nfs/dbraw/zinc/86/27/51/467862751.db2.gz STSCHPJGWUYIQG-GFCCVEGCSA-N 1 2 325.796 2.155 20 5 EEBDLO COC(=O)COc1ccc(CNc2[nH+]cccc2OC)cc1[N+](=O)[O-] ZINC000530494570 467988605 /nfs/dbraw/zinc/98/86/05/467988605.db2.gz DZWZPOGUPBAUPV-UHFFFAOYSA-N 1 2 347.327 2.162 20 5 EEBDLO C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597706734 468645991 /nfs/dbraw/zinc/64/59/91/468645991.db2.gz IOPLXKSNOUODHQ-WMLDXEAASA-N 1 2 347.415 2.022 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000598000228 468735827 /nfs/dbraw/zinc/73/58/27/468735827.db2.gz YGWWLKXLWAABGW-KGLIPLIRSA-N 1 2 349.431 2.359 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000598000228 468735829 /nfs/dbraw/zinc/73/58/29/468735829.db2.gz YGWWLKXLWAABGW-KGLIPLIRSA-N 1 2 349.431 2.359 20 5 EEBDLO Cc1noc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000595405327 468840363 /nfs/dbraw/zinc/84/03/63/468840363.db2.gz WACWBJGUVJZLBC-LLVKDONJSA-N 1 2 332.364 2.266 20 5 EEBDLO Cc1noc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c1[N+](=O)[O-] ZINC000595405327 468840369 /nfs/dbraw/zinc/84/03/69/468840369.db2.gz WACWBJGUVJZLBC-LLVKDONJSA-N 1 2 332.364 2.266 20 5 EEBDLO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1cnccn1 ZINC000595527643 468888838 /nfs/dbraw/zinc/88/88/38/468888838.db2.gz WCSBEDSYGYPERK-CQSZACIVSA-N 1 2 341.371 2.203 20 5 EEBDLO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)Nc1cnccn1 ZINC000595527643 468888842 /nfs/dbraw/zinc/88/88/42/468888842.db2.gz WCSBEDSYGYPERK-CQSZACIVSA-N 1 2 341.371 2.203 20 5 EEBDLO COC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610615581 469018103 /nfs/dbraw/zinc/01/81/03/469018103.db2.gz SGPUOZRYCWXVCI-NSHDSACASA-N 1 2 327.768 2.298 20 5 EEBDLO COC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000610615581 469018109 /nfs/dbraw/zinc/01/81/09/469018109.db2.gz SGPUOZRYCWXVCI-NSHDSACASA-N 1 2 327.768 2.298 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1N(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1(C)C ZINC000596249802 469220657 /nfs/dbraw/zinc/22/06/57/469220657.db2.gz UFGMMVSOGIZMAP-ZDUSSCGKSA-N 1 2 329.360 2.015 20 5 EEBDLO O=[N+]([O-])c1ccc(CCNc2cccc(CN3CCOCC3)[nH+]2)cc1 ZINC000602578522 469370759 /nfs/dbraw/zinc/37/07/59/469370759.db2.gz NEJIGRLWAOKYJT-UHFFFAOYSA-N 1 2 342.399 2.477 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000603834651 469435580 /nfs/dbraw/zinc/43/55/80/469435580.db2.gz YEVUBESIWPLNAF-ZDUSSCGKSA-N 1 2 343.387 2.444 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000603834651 469435583 /nfs/dbraw/zinc/43/55/83/469435583.db2.gz YEVUBESIWPLNAF-ZDUSSCGKSA-N 1 2 343.387 2.444 20 5 EEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000171352398 534461413 /nfs/dbraw/zinc/46/14/13/534461413.db2.gz DLOQMMHEDWHUCV-UHFFFAOYSA-N 1 2 343.387 2.381 20 5 EEBDLO CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOCC1 ZINC000129983850 528029108 /nfs/dbraw/zinc/02/91/08/528029108.db2.gz VUFXSOWNDMVOMM-UHFFFAOYSA-N 1 2 330.344 2.079 20 5 EEBDLO Cc1c(NC(=O)[C@H](C)O[NH+]=C(N)COC(C)C)cccc1[N+](=O)[O-] ZINC000733305804 577221958 /nfs/dbraw/zinc/22/19/58/577221958.db2.gz YYVCASMFXRSGDW-NSHDSACASA-N 1 2 338.364 2.154 20 5 EEBDLO CCOc1cc(C(=O)OCCn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000771870662 577235226 /nfs/dbraw/zinc/23/52/26/577235226.db2.gz SYLPZOJNBNVTCE-UHFFFAOYSA-N 1 2 335.316 2.056 20 5 EEBDLO O=C(OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1Br ZINC000771978895 577242998 /nfs/dbraw/zinc/24/29/98/577242998.db2.gz QPVPRFSYPSBXQG-UHFFFAOYSA-N 1 2 340.133 2.411 20 5 EEBDLO C[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000776598800 577463958 /nfs/dbraw/zinc/46/39/58/577463958.db2.gz WLSJEIYNDIDDFW-RISCZKNCSA-N 1 2 347.337 2.197 20 5 EEBDLO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F 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CN(C)c1[nH+]cccc1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000119984854 159384406 /nfs/dbraw/zinc/38/44/06/159384406.db2.gz NDNGKDFIHOPZTG-UHFFFAOYSA-N 1 2 332.335 2.400 20 5 EEBDLO CCc1cc(NCc2[nH+]ccn2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000343526128 161143404 /nfs/dbraw/zinc/14/34/04/161143404.db2.gz WZFRYCOABLXQKN-UHFFFAOYSA-N 1 2 338.371 2.382 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346454199 161373745 /nfs/dbraw/zinc/37/37/45/161373745.db2.gz LSNBMKHDUODFCJ-OAHLLOKOSA-N 1 2 333.388 2.189 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346454199 161373746 /nfs/dbraw/zinc/37/37/46/161373746.db2.gz LSNBMKHDUODFCJ-OAHLLOKOSA-N 1 2 333.388 2.189 20 5 EEBDLO NC(=O)c1ccc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352710459 162253995 /nfs/dbraw/zinc/25/39/95/162253995.db2.gz SCUILIJEQLYOCF-UHFFFAOYSA-N 1 2 327.340 2.088 20 5 EEBDLO NC(=O)c1ccc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000352710459 162253999 /nfs/dbraw/zinc/25/39/99/162253999.db2.gz SCUILIJEQLYOCF-UHFFFAOYSA-N 1 2 327.340 2.088 20 5 EEBDLO CCOc1cc(N2CCN(c3cc(C)[nH+]cn3)CC2)ccc1[N+](=O)[O-] ZINC000360114143 164235924 /nfs/dbraw/zinc/23/59/24/164235924.db2.gz FMNVDRDIHPWDIE-UHFFFAOYSA-N 1 2 343.387 2.419 20 5 EEBDLO Cn1c[nH+]cc1CNC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000360295715 164277599 /nfs/dbraw/zinc/27/75/99/164277599.db2.gz HRWHBWWGPIJNDI-UHFFFAOYSA-N 1 2 329.360 2.203 20 5 EEBDLO Cc1cc(N2CC(O)(C3CC3)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000364144047 165032570 /nfs/dbraw/zinc/03/25/70/165032570.db2.gz URGZWMHUQFBLKG-UHFFFAOYSA-N 1 2 326.356 2.321 20 5 EEBDLO O=[N+]([O-])c1ccn(C2CCN(c3cc(NCC4CC4)[nH+]cn3)CC2)n1 ZINC000376048089 167250437 /nfs/dbraw/zinc/25/04/37/167250437.db2.gz PLZNXXXBAZPZJA-UHFFFAOYSA-N 1 2 343.391 2.245 20 5 EEBDLO O=[N+]([O-])c1ccn(C2CCN(c3cc(NCC4CC4)nc[nH+]3)CC2)n1 ZINC000376048089 167250440 /nfs/dbraw/zinc/25/04/40/167250440.db2.gz PLZNXXXBAZPZJA-UHFFFAOYSA-N 1 2 343.391 2.245 20 5 EEBDLO C[N@@H+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000272714695 269012291 /nfs/dbraw/zinc/01/22/91/269012291.db2.gz YMQAPZBYHWDTOI-UHFFFAOYSA-N 1 2 333.388 2.391 20 5 EEBDLO C[N@H+]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000272714695 269012292 /nfs/dbraw/zinc/01/22/92/269012292.db2.gz YMQAPZBYHWDTOI-UHFFFAOYSA-N 1 2 333.388 2.391 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000277374703 269151896 /nfs/dbraw/zinc/15/18/96/269151896.db2.gz DIENNMISMLTRMG-UHFFFAOYSA-N 1 2 330.344 2.277 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@@H+](C3CC3)CCO2)no1 ZINC000289151710 275101441 /nfs/dbraw/zinc/10/14/41/275101441.db2.gz TXKAAMKWGXATAW-CQSZACIVSA-N 1 2 346.343 2.189 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2C[N@H+](C3CC3)CCO2)no1 ZINC000289151710 275101442 /nfs/dbraw/zinc/10/14/42/275101442.db2.gz TXKAAMKWGXATAW-CQSZACIVSA-N 1 2 346.343 2.189 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000451949352 278866352 /nfs/dbraw/zinc/86/63/52/278866352.db2.gz XMZJIELSOIDJEP-PWSUYJOCSA-N 1 2 336.373 2.084 20 5 EEBDLO CC[C@@H]1C[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](CC)O1 ZINC000420945862 314005681 /nfs/dbraw/zinc/00/56/81/314005681.db2.gz BIMKOBKTTOPNCQ-HZPDHXFCSA-N 1 2 347.415 2.373 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000421566810 314118979 /nfs/dbraw/zinc/11/89/79/314118979.db2.gz ZLPGDTDGWJOMQU-GDBMZVCRSA-N 1 2 347.415 2.147 20 5 EEBDLO CCN1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433465304 314776619 /nfs/dbraw/zinc/77/66/19/314776619.db2.gz ZRZNDOIOHGKQPU-GFCCVEGCSA-N 1 2 349.416 2.207 20 5 EEBDLO CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCNC1=O ZINC000442959260 315222097 /nfs/dbraw/zinc/22/20/97/315222097.db2.gz FCDLUEHKPCPSPD-AWEZNQCLSA-N 1 2 346.412 2.429 20 5 EEBDLO CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCNC1=O ZINC000442959260 315222099 /nfs/dbraw/zinc/22/20/99/315222099.db2.gz FCDLUEHKPCPSPD-AWEZNQCLSA-N 1 2 346.412 2.429 20 5 EEBDLO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000517032925 316633776 /nfs/dbraw/zinc/63/37/76/316633776.db2.gz JZCJCUIEPKMDAH-CQSZACIVSA-N 1 2 328.372 2.055 20 5 EEBDLO CC(C)[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000540932698 318085173 /nfs/dbraw/zinc/08/51/73/318085173.db2.gz UQENXEZSNFYQJF-UHFFFAOYSA-N 1 2 335.404 2.493 20 5 EEBDLO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000540932698 318085175 /nfs/dbraw/zinc/08/51/75/318085175.db2.gz UQENXEZSNFYQJF-UHFFFAOYSA-N 1 2 335.404 2.493 20 5 EEBDLO Cc1nnc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000542613856 318133733 /nfs/dbraw/zinc/13/37/33/318133733.db2.gz SMJRPMDHJLCBSF-ZJUUUORDSA-N 1 2 333.348 2.272 20 5 EEBDLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000544514323 318189388 /nfs/dbraw/zinc/18/93/88/318189388.db2.gz XWRKAYAYRZSAKM-ZETCQYMHSA-N 1 2 339.739 2.229 20 5 EEBDLO Cc1nc(NC[C@H](c2cccs2)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000296194100 465110787 /nfs/dbraw/zinc/11/07/87/465110787.db2.gz BRJFKDYUBDAHPR-CYBMUJFWSA-N 1 2 349.416 2.240 20 5 EEBDLO CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(O)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000339203805 465140571 /nfs/dbraw/zinc/14/05/71/465140571.db2.gz KLLJUNMPZWJPAA-MAZHCROVSA-N 1 2 333.388 2.037 20 5 EEBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000347672743 465162260 /nfs/dbraw/zinc/16/22/60/465162260.db2.gz OOBUKJHHPOMQFU-UHFFFAOYSA-N 1 2 341.327 2.451 20 5 EEBDLO CC(C)c1ccc(C[N@@H+]2CC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000337405300 465349435 /nfs/dbraw/zinc/34/94/35/465349435.db2.gz NDSDJUMGAGOMCT-ZDUSSCGKSA-N 1 2 326.418 2.337 20 5 EEBDLO CC(C)c1ccc(C[N@H+]2CC[C@H](S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000337405300 465349440 /nfs/dbraw/zinc/34/94/40/465349440.db2.gz NDSDJUMGAGOMCT-ZDUSSCGKSA-N 1 2 326.418 2.337 20 5 EEBDLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC000045445238 462587192 /nfs/dbraw/zinc/58/71/92/462587192.db2.gz YDZCFEMHVWVYJN-NWDGAFQWSA-N 1 2 330.344 2.030 20 5 EEBDLO CC(C)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000133199330 462908182 /nfs/dbraw/zinc/90/81/82/462908182.db2.gz GGXNKVMVXFJIML-GFCCVEGCSA-N 1 2 328.372 2.405 20 5 EEBDLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000016482699 462980998 /nfs/dbraw/zinc/98/09/98/462980998.db2.gz XZOJPNJEZAOKRU-QWHCGFSZSA-N 1 2 349.387 2.197 20 5 EEBDLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000016482699 462981001 /nfs/dbraw/zinc/98/10/01/462981001.db2.gz XZOJPNJEZAOKRU-QWHCGFSZSA-N 1 2 349.387 2.197 20 5 EEBDLO COc1ccc(CC(=O)Nc2ccc[nH+]c2N(C)C)cc1[N+](=O)[O-] ZINC000067812388 463053242 /nfs/dbraw/zinc/05/32/42/463053242.db2.gz GBENIYLTVXLZHP-UHFFFAOYSA-N 1 2 330.344 2.246 20 5 EEBDLO CCOCC[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134901328 463093012 /nfs/dbraw/zinc/09/30/12/463093012.db2.gz BFWUCNAQPZQSIA-UHFFFAOYSA-N 1 2 341.795 2.043 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@H+](CCOC)C2CC2)c([N+](=O)[O-])c1 ZINC000052940077 463120358 /nfs/dbraw/zinc/12/03/58/463120358.db2.gz OQFQSCZKBSHULY-UHFFFAOYSA-N 1 2 337.376 2.043 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@@H+](CCOC)C2CC2)c([N+](=O)[O-])c1 ZINC000052940077 463120359 /nfs/dbraw/zinc/12/03/59/463120359.db2.gz OQFQSCZKBSHULY-UHFFFAOYSA-N 1 2 337.376 2.043 20 5 EEBDLO CC(C)c1ccc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000157608393 463148705 /nfs/dbraw/zinc/14/87/05/463148705.db2.gz PZMCKXKJNSXHGX-ZDUSSCGKSA-N 1 2 326.418 2.337 20 5 EEBDLO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000157608393 463148709 /nfs/dbraw/zinc/14/87/09/463148709.db2.gz PZMCKXKJNSXHGX-ZDUSSCGKSA-N 1 2 326.418 2.337 20 5 EEBDLO Cc1cccc2[nH+]c(CNc3ccc(C(N)=O)cc3[N+](=O)[O-])cn21 ZINC000068772563 463173612 /nfs/dbraw/zinc/17/36/12/463173612.db2.gz UXDIMXQIMZGALU-UHFFFAOYSA-N 1 2 325.328 2.262 20 5 EEBDLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1[N+](=O)[O-] ZINC000029218758 463248048 /nfs/dbraw/zinc/24/80/48/463248048.db2.gz KHHVGYWUEKEQGM-UHFFFAOYSA-N 1 2 337.339 2.414 20 5 EEBDLO Cc1cc(C)nc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000123219173 463325214 /nfs/dbraw/zinc/32/52/14/463325214.db2.gz QJTOOCHRKMQFKH-UHFFFAOYSA-N 1 2 327.388 2.324 20 5 EEBDLO COc1ccc(C[N@H+](C)Cn2cc([N+](=O)[O-])cn2)cc1OC(F)F ZINC000058162165 463546156 /nfs/dbraw/zinc/54/61/56/463546156.db2.gz UQYYHZMUUOCYBP-UHFFFAOYSA-N 1 2 342.302 2.491 20 5 EEBDLO COc1ccc(C[N@@H+](C)Cn2cc([N+](=O)[O-])cn2)cc1OC(F)F ZINC000058162165 463546163 /nfs/dbraw/zinc/54/61/63/463546163.db2.gz UQYYHZMUUOCYBP-UHFFFAOYSA-N 1 2 342.302 2.491 20 5 EEBDLO CCn1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000072989083 463571761 /nfs/dbraw/zinc/57/17/61/463571761.db2.gz GBMJPMFVFHTMNN-UHFFFAOYSA-N 1 2 332.360 2.310 20 5 EEBDLO CCn1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 ZINC000072989083 463571765 /nfs/dbraw/zinc/57/17/65/463571765.db2.gz GBMJPMFVFHTMNN-UHFFFAOYSA-N 1 2 332.360 2.310 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000043149773 463624998 /nfs/dbraw/zinc/62/49/98/463624998.db2.gz SQFHPUZHEDJTAK-UHFFFAOYSA-N 1 2 336.392 2.136 20 5 EEBDLO CC[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)O1 ZINC000111276048 463674236 /nfs/dbraw/zinc/67/42/36/463674236.db2.gz BIMJSVZKYDYJCV-APHBMKBZSA-N 1 2 333.388 2.199 20 5 EEBDLO CC[C@@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H](C)O1 ZINC000111276048 463674240 /nfs/dbraw/zinc/67/42/40/463674240.db2.gz BIMJSVZKYDYJCV-APHBMKBZSA-N 1 2 333.388 2.199 20 5 EEBDLO CCOc1cc(C[NH+]2CCN(c3cnn(C)c3)CC2)ccc1[N+](=O)[O-] ZINC000276910608 463803666 /nfs/dbraw/zinc/80/36/66/463803666.db2.gz NHYVOVRFHOSYBV-UHFFFAOYSA-N 1 2 345.403 2.049 20 5 EEBDLO Cc1ccc(NCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)[nH+]c1 ZINC000172363834 464064170 /nfs/dbraw/zinc/06/41/70/464064170.db2.gz JJXXVDNENSSCPW-UHFFFAOYSA-N 1 2 330.344 2.236 20 5 EEBDLO NC(=O)[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179577245 464161126 /nfs/dbraw/zinc/16/11/26/464161126.db2.gz RIYYSAXRWNRROK-CYBMUJFWSA-N 1 2 332.385 2.168 20 5 EEBDLO NC(=O)[C@H]1CCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179577245 464161130 /nfs/dbraw/zinc/16/11/30/464161130.db2.gz RIYYSAXRWNRROK-CYBMUJFWSA-N 1 2 332.385 2.168 20 5 EEBDLO O=C(N[C@H]1CCCOCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000180175352 464259534 /nfs/dbraw/zinc/25/95/34/464259534.db2.gz WEBQADZEMCJQSY-ZDUSSCGKSA-N 1 2 330.344 2.079 20 5 EEBDLO CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000295079332 464697736 /nfs/dbraw/zinc/69/77/36/464697736.db2.gz AZYLMOVACMNXPF-ZDUSSCGKSA-N 1 2 325.340 2.397 20 5 EEBDLO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000295079332 464697740 /nfs/dbraw/zinc/69/77/40/464697740.db2.gz AZYLMOVACMNXPF-ZDUSSCGKSA-N 1 2 325.340 2.397 20 5 EEBDLO CC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[S@]1=O ZINC000286166589 464825792 /nfs/dbraw/zinc/82/57/92/464825792.db2.gz WOJPOEHJMGODSB-ZNVLZIIHSA-N 1 2 326.418 2.205 20 5 EEBDLO CC[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H](C)[S@]1=O ZINC000286166589 464825796 /nfs/dbraw/zinc/82/57/96/464825796.db2.gz WOJPOEHJMGODSB-ZNVLZIIHSA-N 1 2 326.418 2.205 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCS[C@H](C)CC1 ZINC000192175043 464879515 /nfs/dbraw/zinc/87/95/15/464879515.db2.gz DRSOZBXDPRHOFU-LLVKDONJSA-N 1 2 339.417 2.369 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCS[C@H](C)CC1 ZINC000192175043 464879519 /nfs/dbraw/zinc/87/95/19/464879519.db2.gz DRSOZBXDPRHOFU-LLVKDONJSA-N 1 2 339.417 2.369 20 5 EEBDLO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000337651305 465495917 /nfs/dbraw/zinc/49/59/17/465495917.db2.gz LJILJVMJSCREBP-MRXNPFEDSA-N 1 2 345.330 2.226 20 5 EEBDLO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000192490183 464935076 /nfs/dbraw/zinc/93/50/76/464935076.db2.gz AZDDVBWCXBAENR-UHFFFAOYSA-N 1 2 348.407 2.047 20 5 EEBDLO Cc1cc(NC[C@@](C)(O)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000351841465 465391914 /nfs/dbraw/zinc/39/19/14/465391914.db2.gz SKSDHSYGTMBKBQ-QGZVFWFLSA-N 1 2 328.372 2.355 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](CO)C1 ZINC000298647906 465459511 /nfs/dbraw/zinc/45/95/11/465459511.db2.gz WBCPDPPVNHFYJU-WDEREUQCSA-N 1 2 341.795 2.280 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](CO)C1 ZINC000298647906 465459517 /nfs/dbraw/zinc/45/95/17/465459517.db2.gz WBCPDPPVNHFYJU-WDEREUQCSA-N 1 2 341.795 2.280 20 5 EEBDLO CCOCCO[C@@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000362322938 465654687 /nfs/dbraw/zinc/65/46/87/465654687.db2.gz PPAIGUHADGAXGA-CYBMUJFWSA-N 1 2 342.367 2.370 20 5 EEBDLO CCOCCO[C@@H]1CC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000362322938 465654692 /nfs/dbraw/zinc/65/46/92/465654692.db2.gz PPAIGUHADGAXGA-CYBMUJFWSA-N 1 2 342.367 2.370 20 5 EEBDLO Cn1c[nH+]cc1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362343850 465665984 /nfs/dbraw/zinc/66/59/84/465665984.db2.gz WJPHFOBIMUZQPQ-UHFFFAOYSA-N 1 2 340.792 2.390 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000340132837 465797121 /nfs/dbraw/zinc/79/71/21/465797121.db2.gz BMXSTGGIXRXMRI-AWEZNQCLSA-N 1 2 343.387 2.070 20 5 EEBDLO O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccn2cc[nH+]c2c1 ZINC000340134832 465799777 /nfs/dbraw/zinc/79/97/77/465799777.db2.gz NQERXAQPPLDVKX-UHFFFAOYSA-N 1 2 339.355 2.284 20 5 EEBDLO CC[C@@H]1C[N@H+](CCNc2cc(OC)c(F)cc2[N+](=O)[O-])CCO1 ZINC000362661459 465919889 /nfs/dbraw/zinc/91/98/89/465919889.db2.gz FAMMGRZJFJKHOF-LLVKDONJSA-N 1 2 327.356 2.265 20 5 EEBDLO CC[C@@H]1C[N@@H+](CCNc2cc(OC)c(F)cc2[N+](=O)[O-])CCO1 ZINC000362661459 465919893 /nfs/dbraw/zinc/91/98/93/465919893.db2.gz FAMMGRZJFJKHOF-LLVKDONJSA-N 1 2 327.356 2.265 20 5 EEBDLO C[C@H](O)C[NH+]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302457012 466142330 /nfs/dbraw/zinc/14/23/30/466142330.db2.gz TXJMRBJZTQOXQS-VIFPVBQESA-N 1 2 334.203 2.404 20 5 EEBDLO Cn1cc[nH+]c1[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000354526824 466630909 /nfs/dbraw/zinc/63/09/09/466630909.db2.gz BKKVKANZWZRESK-CYBMUJFWSA-N 1 2 328.307 2.459 20 5 EEBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000451931862 467286995 /nfs/dbraw/zinc/28/69/95/467286995.db2.gz LZUCTXPFWJAPKK-LLVKDONJSA-N 1 2 338.389 2.159 20 5 EEBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000451937094 467289315 /nfs/dbraw/zinc/28/93/15/467289315.db2.gz VKGIMUTZQOHPGT-NSHDSACASA-N 1 2 338.389 2.159 20 5 EEBDLO CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000433937565 467364956 /nfs/dbraw/zinc/36/49/56/467364956.db2.gz WCJAULLTKSUEAT-SNVBAGLBSA-N 1 2 332.364 2.184 20 5 EEBDLO CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000433937565 467364958 /nfs/dbraw/zinc/36/49/58/467364958.db2.gz WCJAULLTKSUEAT-SNVBAGLBSA-N 1 2 332.364 2.184 20 5 EEBDLO Cc1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc(C)[nH+]1 ZINC000420699601 467457172 /nfs/dbraw/zinc/45/71/72/467457172.db2.gz NJGYDRBGKHQIRF-UHFFFAOYSA-N 1 2 335.385 2.394 20 5 EEBDLO Cc1nc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)cs1 ZINC000450321707 467826444 /nfs/dbraw/zinc/82/64/44/467826444.db2.gz UIROSCZDHCMEBE-UHFFFAOYSA-N 1 2 348.432 2.170 20 5 EEBDLO Cc1nc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)cs1 ZINC000450321707 467826446 /nfs/dbraw/zinc/82/64/46/467826446.db2.gz UIROSCZDHCMEBE-UHFFFAOYSA-N 1 2 348.432 2.170 20 5 EEBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1c[nH+]ccc1-n1ccnn1 ZINC000493126713 467846517 /nfs/dbraw/zinc/84/65/17/467846517.db2.gz HTKGHWBWUVJBNR-WAYWQWQTSA-N 1 2 336.311 2.222 20 5 EEBDLO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@H]1CO ZINC000450577621 467872912 /nfs/dbraw/zinc/87/29/12/467872912.db2.gz UTJNFKCPZFRTEF-WBMJQRKESA-N 1 2 344.371 2.014 20 5 EEBDLO C[C@H](CCCO)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000450633267 467883357 /nfs/dbraw/zinc/88/33/57/467883357.db2.gz YKGBMTWHORTEHC-CQSZACIVSA-N 1 2 337.420 2.248 20 5 EEBDLO C[C@H](CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)n1cc[nH+]c1 ZINC000516774290 468045970 /nfs/dbraw/zinc/04/59/70/468045970.db2.gz LKMCGDANGOYFTI-CQSZACIVSA-N 1 2 343.387 2.091 20 5 EEBDLO CN(C)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)c[nH+]1 ZINC000600520612 468580726 /nfs/dbraw/zinc/58/07/26/468580726.db2.gz KSNPUMYNNSQKME-UHFFFAOYSA-N 1 2 326.154 2.063 20 5 EEBDLO O=[N+]([O-])c1ccccc1C=CC[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594512723 468612389 /nfs/dbraw/zinc/61/23/89/468612389.db2.gz WLSFJFALCLGKGV-XSHSDMCLSA-N 1 2 329.360 2.367 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597993955 468734197 /nfs/dbraw/zinc/73/41/97/468734197.db2.gz HULHBGSKLPZDCJ-KGLIPLIRSA-N 1 2 335.404 2.051 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597993955 468734199 /nfs/dbraw/zinc/73/41/99/468734199.db2.gz HULHBGSKLPZDCJ-KGLIPLIRSA-N 1 2 335.404 2.051 20 5 EEBDLO Cc1noc(C[NH2+][C@H](CN2CCCC2=O)c2ccccc2)c1[N+](=O)[O-] ZINC000595412282 468843634 /nfs/dbraw/zinc/84/36/34/468843634.db2.gz XMLWKEOFKUZQEY-CQSZACIVSA-N 1 2 344.371 2.345 20 5 EEBDLO Cc1nnc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000595702580 468961914 /nfs/dbraw/zinc/96/19/14/468961914.db2.gz XXHLFXPVOBXKGL-UHFFFAOYSA-N 1 2 333.348 2.055 20 5 EEBDLO Cc1nnc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000595702580 468961919 /nfs/dbraw/zinc/96/19/19/468961919.db2.gz XXHLFXPVOBXKGL-UHFFFAOYSA-N 1 2 333.348 2.055 20 5 EEBDLO O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])c[nH]1 ZINC000599002255 469084173 /nfs/dbraw/zinc/08/41/73/469084173.db2.gz DFFDCNKAYQYGOD-CJNGLKHVSA-N 1 2 331.328 2.021 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000602807291 469089332 /nfs/dbraw/zinc/08/93/32/469089332.db2.gz XINUGLMEMWDQNF-CYBMUJFWSA-N 1 2 326.397 2.056 20 5 EEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CCC[C@H](CCO)C1 ZINC000610927591 469112760 /nfs/dbraw/zinc/11/27/60/469112760.db2.gz IECUGUGSANPHJP-CYBMUJFWSA-N 1 2 344.371 2.015 20 5 EEBDLO Cc1cc(N[C@@H](CO)CC2CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000611104152 469161961 /nfs/dbraw/zinc/16/19/61/469161961.db2.gz MDOTTYMVVHPWGG-CQSZACIVSA-N 1 2 328.372 2.355 20 5 EEBDLO C[C@H]1C[N@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596429302 469263867 /nfs/dbraw/zinc/26/38/67/469263867.db2.gz JBRMFILXRQCCTL-STQMWFEESA-N 1 2 330.388 2.664 20 5 EEBDLO C[C@H]1C[N@@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000596429302 469263873 /nfs/dbraw/zinc/26/38/73/469263873.db2.gz JBRMFILXRQCCTL-STQMWFEESA-N 1 2 330.388 2.664 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000611516442 469270167 /nfs/dbraw/zinc/27/01/67/469270167.db2.gz YQCHRHUUXZHMNJ-GFCCVEGCSA-N 1 2 326.418 2.473 20 5 EEBDLO CC[C@@](C)(C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)OC ZINC000602446673 469320392 /nfs/dbraw/zinc/32/03/92/469320392.db2.gz HIVCSZGAOUBMKV-HNNXBMFYSA-N 1 2 341.433 2.229 20 5 EEBDLO CC(C)(O)CN(C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C1CC1 ZINC000451045937 535298667 /nfs/dbraw/zinc/29/86/67/535298667.db2.gz SYGSWEGUMSPPLE-UHFFFAOYSA-N 1 2 344.371 2.156 20 5 EEBDLO CCn1cc[nH+]c1/C=C\C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000492313548 536108417 /nfs/dbraw/zinc/10/84/17/536108417.db2.gz PWQJOPSQWSXWHC-FPLPWBNLSA-N 1 2 329.360 2.053 20 5 EEBDLO CN(CC(=O)OCc1cccc2[nH+]ccn21)c1ccccc1[N+](=O)[O-] ZINC000772682000 577289312 /nfs/dbraw/zinc/28/93/12/577289312.db2.gz USVGTKOCHAMIHG-UHFFFAOYSA-N 1 2 340.339 2.422 20 5 EEBDLO CC(C)c1n[nH]c(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1[N+](=O)[O-] ZINC000771294055 577613259 /nfs/dbraw/zinc/61/32/59/577613259.db2.gz DHUDBJXOGUNDTH-NSHDSACASA-N 1 2 348.407 2.483 20 5 EEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccnc3Cl)CC2)cn1 ZINC000750857299 577743830 /nfs/dbraw/zinc/74/38/30/577743830.db2.gz ZWIMWYNFKOOWIE-UHFFFAOYSA-N 1 2 333.779 2.360 20 5 EEBDLO CCC1(O)CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000744410692 577897340 /nfs/dbraw/zinc/89/73/40/577897340.db2.gz SVGWGFYCNBQRKO-UHFFFAOYSA-N 1 2 341.795 2.424 20 5 EEBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc(-c3nn[nH]n3)s1)C2 ZINC000826500176 608706260 /nfs/dbraw/zinc/70/62/60/608706260.db2.gz NQOWXPNHWUGXGP-UHFFFAOYSA-N 1 2 342.384 2.395 20 5 EEBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc(-c3nn[nH]n3)s1)C2 ZINC000826500176 608706261 /nfs/dbraw/zinc/70/62/61/608706261.db2.gz NQOWXPNHWUGXGP-UHFFFAOYSA-N 1 2 342.384 2.395 20 5 EEBDLO C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000899808063 693875852 /nfs/dbraw/zinc/87/58/52/693875852.db2.gz AHUGDQBYOWNJLQ-GFCCVEGCSA-N 1 2 342.355 2.046 20 5 EEBDLO C[N@H+](CCOCC1CC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000120415123 1198112038 /nfs/dbraw/zinc/11/20/38/1198112038.db2.gz YTTUEIQQNDCZJK-UHFFFAOYSA-N 1 2 331.376 2.169 20 5 EEBDLO C[N@@H+](CCOCC1CC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000120415123 1198112043 /nfs/dbraw/zinc/11/20/43/1198112043.db2.gz YTTUEIQQNDCZJK-UHFFFAOYSA-N 1 2 331.376 2.169 20 5 EEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000874708836 1198959505 /nfs/dbraw/zinc/95/95/05/1198959505.db2.gz YYPSNCBYFWAQJE-HNNXBMFYSA-N 1 2 349.431 2.361 20 5 EEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000874708836 1198959510 /nfs/dbraw/zinc/95/95/10/1198959510.db2.gz YYPSNCBYFWAQJE-HNNXBMFYSA-N 1 2 349.431 2.361 20 5 EEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000877952104 1200180383 /nfs/dbraw/zinc/18/03/83/1200180383.db2.gz AFHVKJSLKQCFNM-ZDUSSCGKSA-N 1 2 336.392 2.136 20 5 EEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000877952104 1200180389 /nfs/dbraw/zinc/18/03/89/1200180389.db2.gz AFHVKJSLKQCFNM-ZDUSSCGKSA-N 1 2 336.392 2.136 20 5 EEBDLO Cc1c(C(=O)NCCCn2cc[nH+]c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000132286604 1202095129 /nfs/dbraw/zinc/09/51/29/1202095129.db2.gz NQLSLEINRUSMQP-UHFFFAOYSA-N 1 2 347.331 2.136 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000930862217 1206588456 /nfs/dbraw/zinc/58/84/56/1206588456.db2.gz JNKVQYAZQGVNBU-ZDUSSCGKSA-N 1 2 336.392 2.054 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000930862217 1206588457 /nfs/dbraw/zinc/58/84/57/1206588457.db2.gz JNKVQYAZQGVNBU-ZDUSSCGKSA-N 1 2 336.392 2.054 20 5 EEBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000794631290 1296499718 /nfs/dbraw/zinc/49/97/18/1296499718.db2.gz KORMQHFNBIQYHZ-BETUJISGSA-N 1 2 344.371 2.491 20 5 EEBDLO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000794631290 1296499726 /nfs/dbraw/zinc/49/97/26/1296499726.db2.gz KORMQHFNBIQYHZ-BETUJISGSA-N 1 2 344.371 2.491 20 5 EEBDLO O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217980144 1297541641 /nfs/dbraw/zinc/54/16/41/1297541641.db2.gz KLBLCROPBYXGDF-POYBYMJQSA-N 1 2 339.245 2.183 20 5 EEBDLO CCCC(=O)Nc1c(OC[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001231363494 1303753481 /nfs/dbraw/zinc/75/34/81/1303753481.db2.gz WGYOPKYXHQGBDZ-LBPRGKRZSA-N 1 2 337.376 2.043 20 5 EEBDLO CCCC(=O)Nc1c(OC[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC001231363494 1303753485 /nfs/dbraw/zinc/75/34/85/1303753485.db2.gz WGYOPKYXHQGBDZ-LBPRGKRZSA-N 1 2 337.376 2.043 20 5 EEBDLO CC(=O)OC[C@H]([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001247701286 1310686364 /nfs/dbraw/zinc/68/63/64/1310686364.db2.gz YXAGVTDKVUNMMV-ZDUSSCGKSA-N 1 2 349.350 2.396 20 5 EEBDLO O=[N+]([O-])c1cccc(Nc2cnn(CC[NH+]3CCOCC3)c2)c1F ZINC001210382308 1325260716 /nfs/dbraw/zinc/26/07/16/1325260716.db2.gz RXMXYTQXRYPHIN-UHFFFAOYSA-N 1 2 335.339 2.006 20 5 EEBDLO O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC001608914189 1351792710 /nfs/dbraw/zinc/79/27/10/1351792710.db2.gz DMCLCHDIBVDWHC-GFCCVEGCSA-N 1 2 330.344 2.396 20 5 EEBDLO O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC001608914189 1351792713 /nfs/dbraw/zinc/79/27/13/1351792713.db2.gz DMCLCHDIBVDWHC-GFCCVEGCSA-N 1 2 330.344 2.396 20 5 EEBDLO Cc1cc(C[N@@H+]2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)no1 ZINC001322558063 1333282750 /nfs/dbraw/zinc/28/27/50/1333282750.db2.gz USMVPLLAWNYKQO-UHFFFAOYSA-N 1 2 331.376 2.307 20 5 EEBDLO Cc1cc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)no1 ZINC001322558063 1333282754 /nfs/dbraw/zinc/28/27/54/1333282754.db2.gz USMVPLLAWNYKQO-UHFFFAOYSA-N 1 2 331.376 2.307 20 5 EEBDLO Cc1cn(C[N@@H+]2CC[C@@H](CF)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC001331035850 1334950524 /nfs/dbraw/zinc/95/05/24/1334950524.db2.gz HXNUBONTFPHLSB-ZDUSSCGKSA-N 1 2 334.351 2.105 20 5 EEBDLO Cc1cn(C[N@H+]2CC[C@@H](CF)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC001331035850 1334950529 /nfs/dbraw/zinc/95/05/29/1334950529.db2.gz HXNUBONTFPHLSB-ZDUSSCGKSA-N 1 2 334.351 2.105 20 5 EEBDLO Cc1cc(F)cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000118995391 1369539447 /nfs/dbraw/zinc/53/94/47/1369539447.db2.gz YVURAGIUSVXERW-CYBMUJFWSA-N 1 2 344.346 2.446 20 5 EEBDLO COCC(C)(C)[NH+]1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000819943126 785735150 /nfs/dbraw/zinc/73/51/50/785735150.db2.gz OMZRKJZCDIGJMV-UHFFFAOYSA-N 1 2 329.347 2.420 20 5 EEBDLO O=C(CCc1[nH]cc[nH+]1)NC/C=C\CNc1ccccc1[N+](=O)[O-] ZINC001107173853 786220393 /nfs/dbraw/zinc/22/03/93/786220393.db2.gz SFYMGVMUJSJHDD-ARJAWSKDSA-N 1 2 329.360 2.035 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910785814 787027317 /nfs/dbraw/zinc/02/73/17/787027317.db2.gz RTFGOMCBNPSAHW-UHFFFAOYSA-N 1 2 326.356 2.023 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910785814 787027325 /nfs/dbraw/zinc/02/73/25/787027325.db2.gz RTFGOMCBNPSAHW-UHFFFAOYSA-N 1 2 326.356 2.023 20 5 EEBDLO CC(C)OC(=O)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825118917 788445079 /nfs/dbraw/zinc/44/50/79/788445079.db2.gz YZWNFHXBLYLYJZ-ZDUSSCGKSA-N 1 2 335.404 2.493 20 5 EEBDLO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000844729365 789333165 /nfs/dbraw/zinc/33/31/65/789333165.db2.gz WTJAPXVTWVOTNF-OCCSQVGLSA-N 1 2 333.392 2.495 20 5 EEBDLO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000844729365 789333176 /nfs/dbraw/zinc/33/31/76/789333176.db2.gz WTJAPXVTWVOTNF-OCCSQVGLSA-N 1 2 333.392 2.495 20 5 EEBDLO O=C(CCCF)N1CC2(C1)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001148070715 792134028 /nfs/dbraw/zinc/13/40/28/792134028.db2.gz JMCOWAREQGDQFN-UHFFFAOYSA-N 1 2 341.408 2.440 20 5 EEBDLO O=C(CCCF)N1CC2(C1)CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001148070715 792134035 /nfs/dbraw/zinc/13/40/35/792134035.db2.gz JMCOWAREQGDQFN-UHFFFAOYSA-N 1 2 341.408 2.440 20 5 EEBDLO Cc1cn(C(C)(C)C(=O)NCCNc2cc(C)ccc2[N+](=O)[O-])c[nH+]1 ZINC001094223502 796006212 /nfs/dbraw/zinc/00/62/12/796006212.db2.gz NIEPRMCVHWCEGF-UHFFFAOYSA-N 1 2 345.403 2.372 20 5 EEBDLO COC(=O)CC[C@@H]1COCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173238296 797323705 /nfs/dbraw/zinc/32/37/05/797323705.db2.gz OWTGQDLULWVTSQ-CZUORRHYSA-N 1 2 336.388 2.180 20 5 EEBDLO COC(=O)CC[C@@H]1COCC[N@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173238296 797323713 /nfs/dbraw/zinc/32/37/13/797323713.db2.gz OWTGQDLULWVTSQ-CZUORRHYSA-N 1 2 336.388 2.180 20 5 EEBDLO O=C1C[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1c1ccc(Cl)cc1 ZINC001169041672 803584067 /nfs/dbraw/zinc/58/40/67/803584067.db2.gz BXLMXDOEXCFZIB-WFASDCNBSA-N 1 2 337.807 2.434 20 5 EEBDLO O=C1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1c1ccc(Cl)cc1 ZINC001169041672 803584070 /nfs/dbraw/zinc/58/40/70/803584070.db2.gz BXLMXDOEXCFZIB-WFASDCNBSA-N 1 2 337.807 2.434 20 5 EEBDLO O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1Cc2ccncc2C1 ZINC000808099584 812455453 /nfs/dbraw/zinc/45/54/53/812455453.db2.gz ASCSQOCWQFCIOR-UHFFFAOYSA-N 1 2 335.323 2.332 20 5 EEBDLO CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC001596408987 983988478 /nfs/dbraw/zinc/98/84/78/983988478.db2.gz SVPIZMIAGWHJNQ-IUODEOHRSA-N 1 2 335.404 2.455 20 5 EEBDLO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC001596408987 983988480 /nfs/dbraw/zinc/98/84/80/983988480.db2.gz SVPIZMIAGWHJNQ-IUODEOHRSA-N 1 2 335.404 2.455 20 5 EEBDLO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC001596408987 983988481 /nfs/dbraw/zinc/98/84/81/983988481.db2.gz SVPIZMIAGWHJNQ-IUODEOHRSA-N 1 2 335.404 2.455 20 5 EEBDLO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC001596408987 983988484 /nfs/dbraw/zinc/98/84/84/983988484.db2.gz SVPIZMIAGWHJNQ-IUODEOHRSA-N 1 2 335.404 2.455 20 5 EEBDLO C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1ccccc1[N+](=O)[O-] ZINC000249732545 282348509 /nfs/dbraw/zinc/34/85/09/282348509.db2.gz UNSICANRADWBMO-SJORKVTESA-N 1 2 347.415 2.197 20 5 EEBDLO C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)Cc1ccccc1[N+](=O)[O-] ZINC000249732545 282348511 /nfs/dbraw/zinc/34/85/11/282348511.db2.gz UNSICANRADWBMO-SJORKVTESA-N 1 2 347.415 2.197 20 5 EEBDLO O=C(NCCCC1(O)CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000421980962 240085063 /nfs/dbraw/zinc/08/50/63/240085063.db2.gz LXNZUOGDMFELOQ-UHFFFAOYSA-N 1 2 344.371 2.206 20 5 EEBDLO CC[C@](C)(CCO)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450665641 242880407 /nfs/dbraw/zinc/88/04/07/242880407.db2.gz FHEFQSIIZBANTQ-MRXNPFEDSA-N 1 2 332.360 2.061 20 5 EEBDLO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000262559067 245032291 /nfs/dbraw/zinc/03/22/91/245032291.db2.gz XNEXIXBUPMVYCG-CYBMUJFWSA-N 1 2 339.367 2.105 20 5 EEBDLO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000262559067 245032293 /nfs/dbraw/zinc/03/22/93/245032293.db2.gz XNEXIXBUPMVYCG-CYBMUJFWSA-N 1 2 339.367 2.105 20 5 EEBDLO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000262559067 245032302 /nfs/dbraw/zinc/03/23/02/245032302.db2.gz XNEXIXBUPMVYCG-CYBMUJFWSA-N 1 2 339.367 2.105 20 5 EEBDLO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000262559067 245032308 /nfs/dbraw/zinc/03/23/08/245032308.db2.gz XNEXIXBUPMVYCG-CYBMUJFWSA-N 1 2 339.367 2.105 20 5 EEBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])NC[C@@H]1CCCn2cc[nH+]c21 ZINC000492234103 246360543 /nfs/dbraw/zinc/36/05/43/246360543.db2.gz MCQYCLKCUVJTCB-DANTVBBOSA-N 1 2 326.356 2.498 20 5 EEBDLO CO[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000266126412 248115238 /nfs/dbraw/zinc/11/52/38/248115238.db2.gz VHLHBUHPYQIIFH-BBRMVZONSA-N 1 2 344.371 2.468 20 5 EEBDLO COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000411908672 285309192 /nfs/dbraw/zinc/30/91/92/285309192.db2.gz IMNNLITYJYQXLW-RYUDHWBXSA-N 1 2 334.294 2.195 20 5 EEBDLO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000411908672 285309193 /nfs/dbraw/zinc/30/91/93/285309193.db2.gz IMNNLITYJYQXLW-RYUDHWBXSA-N 1 2 334.294 2.195 20 5 EEBDLO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N(C)Cc1[nH+]ccn1C ZINC000270913404 256186829 /nfs/dbraw/zinc/18/68/29/256186829.db2.gz HQLCREVTWLQNKZ-UHFFFAOYSA-N 1 2 336.323 2.281 20 5 EEBDLO Cc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000152960565 533599422 /nfs/dbraw/zinc/59/94/22/533599422.db2.gz LQQVALXXIZZXGR-AWEZNQCLSA-N 1 2 326.356 2.307 20 5 EEBDLO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120466279 142389731 /nfs/dbraw/zinc/38/97/31/142389731.db2.gz RNGGGTVQYPKTCZ-AWEZNQCLSA-N 1 2 342.355 2.082 20 5 EEBDLO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000339935953 160883576 /nfs/dbraw/zinc/88/35/76/160883576.db2.gz HKBRTXFBIXQVOI-UHFFFAOYSA-N 1 2 339.149 2.319 20 5 EEBDLO C[C@@H]1OCC[C@]1(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000343673267 161157399 /nfs/dbraw/zinc/15/73/99/161157399.db2.gz QSYWGFWDISINDS-ZBEGNZNMSA-N 1 2 330.344 2.078 20 5 EEBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000355097315 163079752 /nfs/dbraw/zinc/07/97/52/163079752.db2.gz KICKCMDTKPKWPD-CYBMUJFWSA-N 1 2 338.795 2.284 20 5 EEBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000355097315 163079756 /nfs/dbraw/zinc/07/97/56/163079756.db2.gz KICKCMDTKPKWPD-CYBMUJFWSA-N 1 2 338.795 2.284 20 5 EEBDLO CC(C)c1ccc(C[NH2+]Cc2nnc3n2CCOC3)cc1[N+](=O)[O-] ZINC000364333735 165100710 /nfs/dbraw/zinc/10/07/10/165100710.db2.gz VVOPFYOPPHBRKN-UHFFFAOYSA-N 1 2 331.376 2.130 20 5 EEBDLO CCOC(=O)[C@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000274350505 269026443 /nfs/dbraw/zinc/02/64/43/269026443.db2.gz WSUVCOXCYUIQHY-CYBMUJFWSA-N 1 2 338.360 2.010 20 5 EEBDLO CCOC(=O)[C@H]1CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000274350505 269026445 /nfs/dbraw/zinc/02/64/45/269026445.db2.gz WSUVCOXCYUIQHY-CYBMUJFWSA-N 1 2 338.360 2.010 20 5 EEBDLO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000277643136 269166788 /nfs/dbraw/zinc/16/67/88/269166788.db2.gz YEVPOMOFRPXPDE-CYBMUJFWSA-N 1 2 343.387 2.218 20 5 EEBDLO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000277643136 269166790 /nfs/dbraw/zinc/16/67/90/269166790.db2.gz YEVPOMOFRPXPDE-CYBMUJFWSA-N 1 2 343.387 2.218 20 5 EEBDLO CC(C)c1n[nH]c(C(=O)NCc2ccn3cc[nH+]c3c2)c1[N+](=O)[O-] ZINC000269512126 274115712 /nfs/dbraw/zinc/11/57/12/274115712.db2.gz CRWMRPUBSIPGMT-UHFFFAOYSA-N 1 2 328.332 2.019 20 5 EEBDLO CCOc1cccc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286491590 274877660 /nfs/dbraw/zinc/87/76/60/274877660.db2.gz XITBTCSXQHRYMS-KBPBESRZSA-N 1 2 335.404 2.293 20 5 EEBDLO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000255692479 292716448 /nfs/dbraw/zinc/71/64/48/292716448.db2.gz PEASHGINWLFRDY-ZPIQOJFGSA-N 1 2 338.367 2.398 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000281182170 292739155 /nfs/dbraw/zinc/73/91/55/292739155.db2.gz JPJLDABJQRGRBA-CYBMUJFWSA-N 1 2 332.360 2.074 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000281306750 292746871 /nfs/dbraw/zinc/74/68/71/292746871.db2.gz DPSAGIQXHYWUFL-NSHDSACASA-N 1 2 333.348 2.400 20 5 EEBDLO COc1cc(C(=O)N2CC[NH+](Cc3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000299613084 294786952 /nfs/dbraw/zinc/78/69/52/294786952.db2.gz OVVVCAANVZLSRK-UHFFFAOYSA-N 1 2 345.355 2.154 20 5 EEBDLO Nc1nc(Nc2ccc([NH2+]C3CCOCC3)cc2)ncc1[N+](=O)[O-] ZINC000301151561 294827891 /nfs/dbraw/zinc/82/78/91/294827891.db2.gz KMMFMUWYTRGDOU-UHFFFAOYSA-N 1 2 330.348 2.302 20 5 EEBDLO O=C(C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000058170502 295506663 /nfs/dbraw/zinc/50/66/63/295506663.db2.gz KGJMRQZZEZNHPA-UHFFFAOYSA-N 1 2 346.431 2.119 20 5 EEBDLO Cc1[nH]nc(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000341616054 312262149 /nfs/dbraw/zinc/26/21/49/312262149.db2.gz BTWJUBRNGJQJPL-UHFFFAOYSA-N 1 2 346.391 2.155 20 5 EEBDLO Cc1n[nH]c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000341616054 312262151 /nfs/dbraw/zinc/26/21/51/312262151.db2.gz BTWJUBRNGJQJPL-UHFFFAOYSA-N 1 2 346.391 2.155 20 5 EEBDLO Cc1nn(CCC(=O)NCc2cc(C)[nH+]c(C)c2)c(C)c1[N+](=O)[O-] ZINC000421577553 314120298 /nfs/dbraw/zinc/12/02/98/314120298.db2.gz PJZFKDHGNJMQPR-UHFFFAOYSA-N 1 2 331.376 2.126 20 5 EEBDLO C[NH+](C)CCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436840597 315004643 /nfs/dbraw/zinc/00/46/43/315004643.db2.gz PRKLOOGVRSQUMY-UHFFFAOYSA-N 1 2 343.383 2.335 20 5 EEBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000451932616 315467966 /nfs/dbraw/zinc/46/79/66/315467966.db2.gz NGLYWEDZTBWHHR-LLVKDONJSA-N 1 2 338.389 2.159 20 5 EEBDLO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H](O)Cc3ccc(F)cc3)C2)cc1 ZINC000453020308 315634151 /nfs/dbraw/zinc/63/41/51/315634151.db2.gz WFEAPPFDOUMGIR-INIZCTEOSA-N 1 2 346.358 2.401 20 5 EEBDLO CCC[C@H](C(=O)OCC)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000502681929 316351125 /nfs/dbraw/zinc/35/11/25/316351125.db2.gz JRTPLHMATIUEAX-MRXNPFEDSA-N 1 2 335.404 2.449 20 5 EEBDLO COC(=O)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000545884676 318229589 /nfs/dbraw/zinc/22/95/89/318229589.db2.gz IKJOJIXCCREIOF-OAHLLOKOSA-N 1 2 337.376 2.019 20 5 EEBDLO CNc1ccc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000553271051 318527903 /nfs/dbraw/zinc/52/79/03/318527903.db2.gz BJOZQBJMXSVJJN-AWEZNQCLSA-N 1 2 329.360 2.251 20 5 EEBDLO C[C@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000583727438 324718901 /nfs/dbraw/zinc/71/89/01/324718901.db2.gz MOACSSYFQPRZDN-JSGCOSHPSA-N 1 2 328.372 2.448 20 5 EEBDLO COc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2[nH]cc[nH+]2)cc1SC ZINC000347521165 465072176 /nfs/dbraw/zinc/07/21/76/465072176.db2.gz PUXULYMTYSXNJO-UHFFFAOYSA-N 1 2 336.373 2.321 20 5 EEBDLO COc1cccc(C(=O)NCc2cn3cc(C)ccc3[nH+]2)c1[N+](=O)[O-] ZINC000358772368 465313460 /nfs/dbraw/zinc/31/34/60/465313460.db2.gz WJEGYVQHTQKZON-UHFFFAOYSA-N 1 2 340.339 2.490 20 5 EEBDLO Cc1ccc2[nH+]c(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)cn2c1 ZINC000356331836 465316321 /nfs/dbraw/zinc/31/63/21/465316321.db2.gz DGRSPEZBNYFKPK-UHFFFAOYSA-N 1 2 326.312 2.187 20 5 EEBDLO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCn2c[nH+]cc2C1 ZINC000590599770 468283833 /nfs/dbraw/zinc/28/38/33/468283833.db2.gz ONAVXIFALXILKB-NSHDSACASA-N 1 2 340.343 2.418 20 5 EEBDLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000046228188 462662390 /nfs/dbraw/zinc/66/23/90/462662390.db2.gz ZZHFBRAIUNXWIZ-HNNXBMFYSA-N 1 2 346.431 2.118 20 5 EEBDLO Cn1c2ccc(Nc3ncc([N+](=O)[O-])c(N)n3)cc2[nH+]c1C1CC1 ZINC000089649059 462704246 /nfs/dbraw/zinc/70/42/46/462704246.db2.gz FWWCIIBCICHTSZ-UHFFFAOYSA-N 1 2 325.332 2.475 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000075531791 462726944 /nfs/dbraw/zinc/72/69/44/462726944.db2.gz YYHWBFZYTGMXBJ-NSHDSACASA-N 1 2 330.344 2.346 20 5 EEBDLO Nc1c(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc(F)cc1[N+](=O)[O-] ZINC000075534107 462727307 /nfs/dbraw/zinc/72/73/07/462727307.db2.gz GUKBTNJDLXRLLI-SECBINFHSA-N 1 2 333.323 2.059 20 5 EEBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000075555783 462729464 /nfs/dbraw/zinc/72/94/64/462729464.db2.gz NNTYZAZJYMRILT-LBPRGKRZSA-N 1 2 330.344 2.103 20 5 EEBDLO CC(C)(C)[N@H+](CC(N)=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089910306 462740002 /nfs/dbraw/zinc/74/00/02/462740002.db2.gz BTMVAFZNYTUVCH-UHFFFAOYSA-N 1 2 332.360 2.336 20 5 EEBDLO CC(C)(C)[N@@H+](CC(N)=O)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089910306 462740005 /nfs/dbraw/zinc/74/00/05/462740005.db2.gz BTMVAFZNYTUVCH-UHFFFAOYSA-N 1 2 332.360 2.336 20 5 EEBDLO CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744761 462820456 /nfs/dbraw/zinc/82/04/56/462820456.db2.gz KDSLDRDAIHCQFJ-UONOGXRCSA-N 1 2 334.420 2.020 20 5 EEBDLO Cc1c(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)cccc1[N+](=O)[O-] ZINC000065757677 462825380 /nfs/dbraw/zinc/82/53/80/462825380.db2.gz MBQBNTCMBMRYSK-UHFFFAOYSA-N 1 2 347.375 2.013 20 5 EEBDLO O=C(NCCn1cc[nH+]c1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000047864746 462829413 /nfs/dbraw/zinc/82/94/13/462829413.db2.gz TWBFAYFDNFCDIG-UHFFFAOYSA-N 1 2 341.274 2.214 20 5 EEBDLO Cc1cc(Nc2cnn(CC[NH+]3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000092649925 462968808 /nfs/dbraw/zinc/96/88/08/462968808.db2.gz QFUPKZIBLYMZTO-UHFFFAOYSA-N 1 2 331.376 2.176 20 5 EEBDLO C[C@H]1C[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000097083924 463318198 /nfs/dbraw/zinc/31/81/98/463318198.db2.gz QEJRPYBHBPBWGZ-IUCAKERBSA-N 1 2 345.446 2.097 20 5 EEBDLO C[C@H]1C[C@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000097083924 463318203 /nfs/dbraw/zinc/31/82/03/463318203.db2.gz QEJRPYBHBPBWGZ-IUCAKERBSA-N 1 2 345.446 2.097 20 5 EEBDLO CCOCCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000055496678 463326118 /nfs/dbraw/zinc/32/61/18/463326118.db2.gz YFHBAJLNHLEVQG-UHFFFAOYSA-N 1 2 332.360 2.327 20 5 EEBDLO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 ZINC000032499418 463380316 /nfs/dbraw/zinc/38/03/16/463380316.db2.gz CLLGRWNJOIJBON-UHFFFAOYSA-N 1 2 329.356 2.454 20 5 EEBDLO C[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000125438159 463544173 /nfs/dbraw/zinc/54/41/73/463544173.db2.gz LLPIQWMSGZKWOH-BBRMVZONSA-N 1 2 344.371 2.280 20 5 EEBDLO C[N@@H+](Cc1nccn1C(F)F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269639565 464043157 /nfs/dbraw/zinc/04/31/57/464043157.db2.gz IJJWAAKGUZNEBZ-GFCCVEGCSA-N 1 2 326.303 2.352 20 5 EEBDLO C[N@H+](Cc1nccn1C(F)F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269639565 464043164 /nfs/dbraw/zinc/04/31/64/464043164.db2.gz IJJWAAKGUZNEBZ-GFCCVEGCSA-N 1 2 326.303 2.352 20 5 EEBDLO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000269830556 464106790 /nfs/dbraw/zinc/10/67/90/464106790.db2.gz PQNZCHVVXHEPQX-GHMZBOCLSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@@H](O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000269830556 464106794 /nfs/dbraw/zinc/10/67/94/464106794.db2.gz PQNZCHVVXHEPQX-GHMZBOCLSA-N 1 2 341.795 2.422 20 5 EEBDLO Cc1cc(OCC(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000281047859 464312730 /nfs/dbraw/zinc/31/27/30/464312730.db2.gz ANBFKZYFVYLERQ-UHFFFAOYSA-N 1 2 344.371 2.342 20 5 EEBDLO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000264413850 464316168 /nfs/dbraw/zinc/31/61/68/464316168.db2.gz KBZYETPLXKFRMW-ZWNOBZJWSA-N 1 2 341.795 2.422 20 5 EEBDLO C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000264413850 464316174 /nfs/dbraw/zinc/31/61/74/464316174.db2.gz KBZYETPLXKFRMW-ZWNOBZJWSA-N 1 2 341.795 2.422 20 5 EEBDLO O=C(C[N@H+]1CCC[C@H](CO)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293191243 464392222 /nfs/dbraw/zinc/39/22/22/464392222.db2.gz QFFYFKHXHCKGJF-NSHDSACASA-N 1 2 341.795 2.281 20 5 EEBDLO O=C(C[N@@H+]1CCC[C@H](CO)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000293191243 464392224 /nfs/dbraw/zinc/39/22/24/464392224.db2.gz QFFYFKHXHCKGJF-NSHDSACASA-N 1 2 341.795 2.281 20 5 EEBDLO C[C@@H](Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000272073423 464468499 /nfs/dbraw/zinc/46/84/99/464468499.db2.gz VLZMRVGZRKYFDG-CQSZACIVSA-N 1 2 345.403 2.297 20 5 EEBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245444051 464482322 /nfs/dbraw/zinc/48/23/22/464482322.db2.gz XSPOKHFBLGGCSL-HUUCEWRRSA-N 1 2 326.418 2.382 20 5 EEBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245444051 464482330 /nfs/dbraw/zinc/48/23/30/464482330.db2.gz XSPOKHFBLGGCSL-HUUCEWRRSA-N 1 2 326.418 2.382 20 5 EEBDLO O=[N+]([O-])c1ccn(CCN2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000176194718 464716662 /nfs/dbraw/zinc/71/66/62/464716662.db2.gz WIHKOWZLOLAULV-UHFFFAOYSA-N 1 2 349.822 2.263 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249529136 464884929 /nfs/dbraw/zinc/88/49/29/464884929.db2.gz APASIBMKXJLCNH-SWLSCSKDSA-N 1 2 335.404 2.468 20 5 EEBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249529136 464884936 /nfs/dbraw/zinc/88/49/36/464884936.db2.gz APASIBMKXJLCNH-SWLSCSKDSA-N 1 2 335.404 2.468 20 5 EEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000286472271 464930574 /nfs/dbraw/zinc/93/05/74/464930574.db2.gz OMGSTFGHTFFMQX-HNNXBMFYSA-N 1 2 347.415 2.346 20 5 EEBDLO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(F)c1 ZINC000184606470 465006107 /nfs/dbraw/zinc/00/61/07/465006107.db2.gz LODJTAHPLYHHJL-HNNXBMFYSA-N 1 2 347.346 2.472 20 5 EEBDLO Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000339545420 465336207 /nfs/dbraw/zinc/33/62/07/465336207.db2.gz YRWCFIUESQHZKZ-ZDUSSCGKSA-N 1 2 329.360 2.027 20 5 EEBDLO Cc1noc([C@@H](C)[NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000348104319 465426534 /nfs/dbraw/zinc/42/65/34/465426534.db2.gz BAHGLGCQFCPVBT-SNVBAGLBSA-N 1 2 333.348 2.274 20 5 EEBDLO Cc1cnc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000359672872 465479819 /nfs/dbraw/zinc/47/98/19/465479819.db2.gz KBZTYHKBGHLBPI-KBPBESRZSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1cnc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000359672872 465479824 /nfs/dbraw/zinc/47/98/24/465479824.db2.gz KBZTYHKBGHLBPI-KBPBESRZSA-N 1 2 348.382 2.056 20 5 EEBDLO C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000352356643 465519921 /nfs/dbraw/zinc/51/99/21/465519921.db2.gz MXKWONRBTRZMFW-OLZOCXBDSA-N 1 2 330.388 2.664 20 5 EEBDLO CC[N@@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000343910838 465564151 /nfs/dbraw/zinc/56/41/51/465564151.db2.gz ARKUVDICAFLAMH-ZFWWWQNUSA-N 1 2 348.428 2.925 20 5 EEBDLO CC[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000343910838 465564159 /nfs/dbraw/zinc/56/41/59/465564159.db2.gz ARKUVDICAFLAMH-ZFWWWQNUSA-N 1 2 348.428 2.925 20 5 EEBDLO COc1cc[nH+]cc1CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000348410163 465589847 /nfs/dbraw/zinc/58/98/47/465589847.db2.gz PSKXJWUISCSQHQ-UHFFFAOYSA-N 1 2 326.312 2.410 20 5 EEBDLO C[C@H](c1nc([C@H]2C[N@H+](C)CCN2C)no1)c1cccc([N+](=O)[O-])c1 ZINC000569170098 468449545 /nfs/dbraw/zinc/44/95/45/468449545.db2.gz MKMUHTWCHBYQCQ-SMDDNHRTSA-N 1 2 331.376 2.048 20 5 EEBDLO C[C@H](c1nc([C@H]2C[N@@H+](C)CCN2C)no1)c1cccc([N+](=O)[O-])c1 ZINC000569170098 468449549 /nfs/dbraw/zinc/44/95/49/468449549.db2.gz MKMUHTWCHBYQCQ-SMDDNHRTSA-N 1 2 331.376 2.048 20 5 EEBDLO C[C@@H](c1nc([C@@H]2C[N@H+](C)CCN2C)no1)c1cccc([N+](=O)[O-])c1 ZINC000569170097 468449674 /nfs/dbraw/zinc/44/96/74/468449674.db2.gz MKMUHTWCHBYQCQ-RISCZKNCSA-N 1 2 331.376 2.048 20 5 EEBDLO C[C@@H](c1nc([C@@H]2C[N@@H+](C)CCN2C)no1)c1cccc([N+](=O)[O-])c1 ZINC000569170097 468449679 /nfs/dbraw/zinc/44/96/79/468449679.db2.gz MKMUHTWCHBYQCQ-RISCZKNCSA-N 1 2 331.376 2.048 20 5 EEBDLO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299678139 465853297 /nfs/dbraw/zinc/85/32/97/465853297.db2.gz RAYOYHVYRMVZTM-UHFFFAOYSA-N 1 2 344.371 2.493 20 5 EEBDLO O=C(NCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000346152450 465939534 /nfs/dbraw/zinc/93/95/34/465939534.db2.gz OTGUXCAROKQXBV-UHFFFAOYSA-N 1 2 337.339 2.380 20 5 EEBDLO Cc1n[nH]c(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000338257961 465953013 /nfs/dbraw/zinc/95/30/13/465953013.db2.gz NJXIMYIBDOSQKA-LBPRGKRZSA-N 1 2 349.778 2.066 20 5 EEBDLO Cc1[nH]nc(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)c1[N+](=O)[O-] ZINC000338257961 465953022 /nfs/dbraw/zinc/95/30/22/465953022.db2.gz NJXIMYIBDOSQKA-LBPRGKRZSA-N 1 2 349.778 2.066 20 5 EEBDLO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([C@@H](O)c2[nH]cc[nH+]2)CC1 ZINC000302782132 466183640 /nfs/dbraw/zinc/18/36/40/466183640.db2.gz SIQCHDJSAHAWEQ-GFCCVEGCSA-N 1 2 337.767 2.316 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000338726971 466339746 /nfs/dbraw/zinc/33/97/46/466339746.db2.gz PZAZTTUHMHJJON-AWEZNQCLSA-N 1 2 343.387 2.375 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000338726971 466339752 /nfs/dbraw/zinc/33/97/52/466339752.db2.gz PZAZTTUHMHJJON-AWEZNQCLSA-N 1 2 343.387 2.375 20 5 EEBDLO CN(C)C(=O)N[C@@H]1CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413310144 467212873 /nfs/dbraw/zinc/21/28/73/467212873.db2.gz BRDCEMNRPFFPAA-CYBMUJFWSA-N 1 2 343.387 2.383 20 5 EEBDLO O=C(N[C@@H]1C[C@H]2OCCC[C@H]12)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000451017348 467227095 /nfs/dbraw/zinc/22/70/95/467227095.db2.gz KBRCTRSKEUEMGB-XJKCOSOUSA-N 1 2 342.355 2.078 20 5 EEBDLO CCO[C@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000413382996 467230974 /nfs/dbraw/zinc/23/09/74/467230974.db2.gz ASRYFZBDEAYKEN-GASCZTMLSA-N 1 2 335.404 2.406 20 5 EEBDLO CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000433107011 467292490 /nfs/dbraw/zinc/29/24/90/467292490.db2.gz XKWBGMDSEDCQLJ-HNNXBMFYSA-N 1 2 343.387 2.145 20 5 EEBDLO C[C@H]1[C@H](CO)CCCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000414036975 467365724 /nfs/dbraw/zinc/36/57/24/467365724.db2.gz OGPZNKPHXIALDC-JSGCOSHPSA-N 1 2 344.371 2.014 20 5 EEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000408041976 467499266 /nfs/dbraw/zinc/49/92/66/467499266.db2.gz PEKXDYFCSWUEHZ-QWHCGFSZSA-N 1 2 341.433 2.006 20 5 EEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000408041976 467499270 /nfs/dbraw/zinc/49/92/70/467499270.db2.gz PEKXDYFCSWUEHZ-QWHCGFSZSA-N 1 2 341.433 2.006 20 5 EEBDLO CC(C)[NH+]1CC(NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000457717086 467686937 /nfs/dbraw/zinc/68/69/37/467686937.db2.gz HSOHJFGDTGAWIE-UHFFFAOYSA-N 1 2 342.193 2.180 20 5 EEBDLO O=C(N[C@H]1CC[C@H](CO)CC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450180557 467793453 /nfs/dbraw/zinc/79/34/53/467793453.db2.gz JTHJMYUGKYDYLI-MQMHXKEQSA-N 1 2 344.371 2.061 20 5 EEBDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)[nH+]cn2)C1 ZINC000517016707 468065336 /nfs/dbraw/zinc/06/53/36/468065336.db2.gz GOGARZLZWSRYBF-OCCSQVGLSA-N 1 2 343.387 2.204 20 5 EEBDLO C[C@@H](O)[C@H]1CCN(c2cc(NCc3cccc([N+](=O)[O-])c3)nc[nH+]2)C1 ZINC000517016707 468065338 /nfs/dbraw/zinc/06/53/38/468065338.db2.gz GOGARZLZWSRYBF-OCCSQVGLSA-N 1 2 343.387 2.204 20 5 EEBDLO CN(C(=O)C[N@@H+]1CCOC[C@@H]1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000517932761 468101521 /nfs/dbraw/zinc/10/15/21/468101521.db2.gz PSWZNNTWFRSAHL-MRXNPFEDSA-N 1 2 333.388 2.059 20 5 EEBDLO CN(C(=O)C[N@H+]1CCOC[C@@H]1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000517932761 468101524 /nfs/dbraw/zinc/10/15/24/468101524.db2.gz PSWZNNTWFRSAHL-MRXNPFEDSA-N 1 2 333.388 2.059 20 5 EEBDLO C[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000548885769 468152700 /nfs/dbraw/zinc/15/27/00/468152700.db2.gz SYOREDLWOWROEK-CXAGYDPISA-N 1 2 340.383 2.266 20 5 EEBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000597628670 468620517 /nfs/dbraw/zinc/62/05/17/468620517.db2.gz VKDBTHIRCSVXCU-HUUCEWRRSA-N 1 2 328.372 2.133 20 5 EEBDLO CCC(O)(CC)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000600766620 468652365 /nfs/dbraw/zinc/65/23/65/468652365.db2.gz LCIPFGVUSOASHP-UHFFFAOYSA-N 1 2 346.387 2.404 20 5 EEBDLO O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc[nH+]c1N1CCCC1 ZINC000597939857 468718547 /nfs/dbraw/zinc/71/85/47/468718547.db2.gz CXPLQROBLZMCPR-UHFFFAOYSA-N 1 2 340.383 2.449 20 5 EEBDLO COC(=O)Cc1ccc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000584034475 468788284 /nfs/dbraw/zinc/78/82/84/468788284.db2.gz RNDIXOVLYDYMBZ-UHFFFAOYSA-N 1 2 332.360 2.399 20 5 EEBDLO Cc1noc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000595412291 468843720 /nfs/dbraw/zinc/84/37/20/468843720.db2.gz XXHRVVWYWJSYDF-OAHLLOKOSA-N 1 2 346.387 2.054 20 5 EEBDLO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598650105 468945214 /nfs/dbraw/zinc/94/52/14/468945214.db2.gz MBQYPNHBTNYCDS-MNOVXSKESA-N 1 2 341.795 2.137 20 5 EEBDLO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000598650105 468945215 /nfs/dbraw/zinc/94/52/15/468945215.db2.gz MBQYPNHBTNYCDS-MNOVXSKESA-N 1 2 341.795 2.137 20 5 EEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000602614977 468966787 /nfs/dbraw/zinc/96/67/87/468966787.db2.gz OIHHLMREOUVVBG-CYBMUJFWSA-N 1 2 345.321 2.130 20 5 EEBDLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000602614977 468966793 /nfs/dbraw/zinc/96/67/93/468966793.db2.gz OIHHLMREOUVVBG-CYBMUJFWSA-N 1 2 345.321 2.130 20 5 EEBDLO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000588810070 469167614 /nfs/dbraw/zinc/16/76/14/469167614.db2.gz APOUGMHQXRFAQJ-HNNXBMFYSA-N 1 2 333.388 2.098 20 5 EEBDLO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595828024 485608460 /nfs/dbraw/zinc/60/84/60/485608460.db2.gz HCZVYWQPVROIIA-NSHDSACASA-N 1 2 339.342 2.317 20 5 EEBDLO O=C1CCCN1C[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000595828024 485608466 /nfs/dbraw/zinc/60/84/66/485608466.db2.gz HCZVYWQPVROIIA-NSHDSACASA-N 1 2 339.342 2.317 20 5 EEBDLO C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccn(C)n1 ZINC000459794578 518183101 /nfs/dbraw/zinc/18/31/01/518183101.db2.gz PTHOJLLLAPGSTH-VIFPVBQESA-N 1 2 337.767 2.271 20 5 EEBDLO COC[C@@]1(C)CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000450607751 536824804 /nfs/dbraw/zinc/82/48/04/536824804.db2.gz BSDMCUJGTNHISN-SFHVURJKSA-N 1 2 349.431 2.290 20 5 EEBDLO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000729338119 576634059 /nfs/dbraw/zinc/63/40/59/576634059.db2.gz PUNAHVSPCAQBFP-AWEZNQCLSA-N 1 2 331.376 2.218 20 5 EEBDLO CCC(CC)C(=O)N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278846 577456614 /nfs/dbraw/zinc/45/66/14/577456614.db2.gz WIGMYAYWLMELNC-KRWDZBQOSA-N 1 2 349.431 2.209 20 5 EEBDLO Cc1cc(NC[C@H]2COC(C)(C)O2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000765056265 577493710 /nfs/dbraw/zinc/49/37/10/577493710.db2.gz OAHTZZXJUYQNAY-AWEZNQCLSA-N 1 2 344.371 2.346 20 5 EEBDLO O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000767535932 577539142 /nfs/dbraw/zinc/53/91/42/577539142.db2.gz SLFOVAJLXBFJLL-PHIMTYICSA-N 1 2 340.763 2.268 20 5 EEBDLO O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000767535932 577539143 /nfs/dbraw/zinc/53/91/43/577539143.db2.gz SLFOVAJLXBFJLL-PHIMTYICSA-N 1 2 340.763 2.268 20 5 EEBDLO CN(C)c1cc[nH+]c(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC000753007394 577779926 /nfs/dbraw/zinc/77/99/26/577779926.db2.gz QCXDMOQXYZUBRE-UHFFFAOYSA-N 1 2 344.356 2.313 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000876765188 1199764134 /nfs/dbraw/zinc/76/41/34/1199764134.db2.gz VKNAFBPTQOLALE-UHFFFAOYSA-N 1 2 326.418 2.221 20 5 EEBDLO CC(C)(C)[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C(N)=O ZINC000930011834 1206528790 /nfs/dbraw/zinc/52/87/90/1206528790.db2.gz OUAFPIBEPAKAAI-LLVKDONJSA-N 1 2 344.209 2.347 20 5 EEBDLO C[C@H]([NH2+]CC[N+](=O)[O-])c1cc2c(cc1Br)OCCO2 ZINC000930208488 1206541389 /nfs/dbraw/zinc/54/13/89/1206541389.db2.gz QTLJLFIONKODLS-QMMMGPOBSA-N 1 2 331.166 2.148 20 5 EEBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC(OCCc3ccccc3)CC2)c1 ZINC000195186599 1211336506 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20 5 EEBDLO O=C1OCCN1[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000852431599 1292111441 /nfs/dbraw/zinc/11/14/41/1292111441.db2.gz DJMLHINFSGTJHJ-GFCCVEGCSA-N 1 2 325.752 2.275 20 5 EEBDLO COc1cc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000853800173 1292459030 /nfs/dbraw/zinc/45/90/30/1292459030.db2.gz TWFVYIXNYCQBAP-NEPJUHHUSA-N 1 2 339.392 2.133 20 5 EEBDLO COc1cc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000853800173 1292459034 /nfs/dbraw/zinc/45/90/34/1292459034.db2.gz TWFVYIXNYCQBAP-NEPJUHHUSA-N 1 2 339.392 2.133 20 5 EEBDLO CCOCCC(=O)NC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC001226494338 1301435821 /nfs/dbraw/zinc/43/58/21/1301435821.db2.gz SYEPBABSZRAQSP-UHFFFAOYSA-N 1 2 341.433 2.164 20 5 EEBDLO O=[N+]([O-])c1c[nH]cc2nc(OC3C[NH+](Cc4ccccc4)C3)nc1-2 ZINC001230225290 1303116947 /nfs/dbraw/zinc/11/69/47/1303116947.db2.gz OJFGYNXSDYWEFT-UHFFFAOYSA-N 1 2 325.328 2.129 20 5 EEBDLO C[N@@H+]1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001163673171 1321189187 /nfs/dbraw/zinc/18/91/87/1321189187.db2.gz ULAKGMNCBHNZSK-CQSZACIVSA-N 1 2 348.790 2.375 20 5 EEBDLO C[N@H+]1CCN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC001163673171 1321189191 /nfs/dbraw/zinc/18/91/91/1321189191.db2.gz ULAKGMNCBHNZSK-CQSZACIVSA-N 1 2 348.790 2.375 20 5 EEBDLO O=C(NCCCCn1cc[nH+]c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318772585 1332592295 /nfs/dbraw/zinc/59/22/95/1332592295.db2.gz OVKRTMQDMOPGPW-UHFFFAOYSA-N 1 2 329.360 2.297 20 5 EEBDLO O=C(NCCNc1cccc[nH+]1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001336687565 1336581545 /nfs/dbraw/zinc/58/15/45/1336581545.db2.gz YIMOURMQNKTSKZ-LSDHHAIUSA-N 1 2 326.356 2.322 20 5 EEBDLO CCc1nc(C)c(COC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)o1 ZINC001578289852 1344261143 /nfs/dbraw/zinc/26/11/43/1344261143.db2.gz HGDNGVAKOPRULK-MRXNPFEDSA-N 1 2 333.344 2.371 20 5 EEBDLO Cc1ccc(N[C@H]2C[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC001091363363 790450212 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COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000266007005 248022955 /nfs/dbraw/zinc/02/29/55/248022955.db2.gz MHHPWPYUYZACMM-UHFFFAOYSA-N 1 2 342.399 2.458 20 5 EEBDLO O=[N+]([O-])c1ccccc1CNc1[nH+]cnc2c1cnn2-c1ncccn1 ZINC000095434842 218377659 /nfs/dbraw/zinc/37/76/59/218377659.db2.gz AGDHLAOZGGXOLM-UHFFFAOYSA-N 1 2 348.326 2.126 20 5 EEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)nc1 ZINC000273643213 256314628 /nfs/dbraw/zinc/31/46/28/256314628.db2.gz SKTWUZUSBBIHFE-UHFFFAOYSA-N 1 2 333.779 2.360 20 5 EEBDLO COc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000051214169 132180553 /nfs/dbraw/zinc/18/05/53/132180553.db2.gz KSRAFWXORBBHJN-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO Cc1ccc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c(C)[nH+]1 ZINC000119039738 292240169 /nfs/dbraw/zinc/24/01/69/292240169.db2.gz VWIJKJUTYISMFT-UHFFFAOYSA-N 1 2 338.327 2.440 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000377385518 154172480 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20 5 EEBDLO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000424038082 281280927 /nfs/dbraw/zinc/28/09/27/281280927.db2.gz HTWPPVYMEWPADJ-OAHLLOKOSA-N 1 2 333.388 2.151 20 5 EEBDLO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000334001503 312226280 /nfs/dbraw/zinc/22/62/80/312226280.db2.gz UFIKRGQEEXXUSC-JHJVBQTASA-N 1 2 335.404 2.397 20 5 EEBDLO CC(=O)N[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000420962632 314011287 /nfs/dbraw/zinc/01/12/87/314011287.db2.gz ULFWPFCDMHMJMF-LLVKDONJSA-N 1 2 331.294 2.324 20 5 EEBDLO CC(=O)N[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000420962632 314011288 /nfs/dbraw/zinc/01/12/88/314011288.db2.gz ULFWPFCDMHMJMF-LLVKDONJSA-N 1 2 331.294 2.324 20 5 EEBDLO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440506012 315134855 /nfs/dbraw/zinc/13/48/55/315134855.db2.gz ZTBVZPMBHOQDFI-NWDGAFQWSA-N 1 2 336.392 2.206 20 5 EEBDLO C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440506012 315134858 /nfs/dbraw/zinc/13/48/58/315134858.db2.gz ZTBVZPMBHOQDFI-NWDGAFQWSA-N 1 2 336.392 2.206 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)nc2c1 ZINC000444621928 315312359 /nfs/dbraw/zinc/31/23/59/315312359.db2.gz DJWSJIONDUIIHS-WCQYABFASA-N 1 2 344.293 2.359 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)nc2c1 ZINC000444621928 315312362 /nfs/dbraw/zinc/31/23/62/315312362.db2.gz DJWSJIONDUIIHS-WCQYABFASA-N 1 2 344.293 2.359 20 5 EEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000514847488 316429711 /nfs/dbraw/zinc/42/97/11/316429711.db2.gz OFWSSALWKNTCSL-OAHLLOKOSA-N 1 2 339.355 2.186 20 5 EEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000564714976 319103983 /nfs/dbraw/zinc/10/39/83/319103983.db2.gz MGESXKKBEKDNMF-RDJZCZTQSA-N 1 2 335.404 2.033 20 5 EEBDLO CN(C[C@H]1CCC[C@H]1O)c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000575868380 320120873 /nfs/dbraw/zinc/12/08/73/320120873.db2.gz ODCGOSGOJMLTLM-CRAIPNDOSA-N 1 2 349.431 2.024 20 5 EEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000582106158 324379695 /nfs/dbraw/zinc/37/96/95/324379695.db2.gz USPJKDQTUKSEPM-VIFPVBQESA-N 1 2 332.316 2.031 20 5 EEBDLO O=C(Nc1nc2ccccn2n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000537315582 448555688 /nfs/dbraw/zinc/55/56/88/448555688.db2.gz WXXZIZMPAOLZFF-UHFFFAOYSA-N 1 2 349.310 2.076 20 5 EEBDLO COc1ccc(C[NH+]2CCN(c3cncc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000341188092 465039608 /nfs/dbraw/zinc/03/96/08/465039608.db2.gz IHGZJXZCOVPEFO-UHFFFAOYSA-N 1 2 346.362 2.460 20 5 EEBDLO CC[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC000339237470 465157275 /nfs/dbraw/zinc/15/72/75/465157275.db2.gz QLICGLDNYDHCHC-HZPDHXFCSA-N 1 2 349.431 2.443 20 5 EEBDLO CC[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC000339237470 465157278 /nfs/dbraw/zinc/15/72/78/465157278.db2.gz QLICGLDNYDHCHC-HZPDHXFCSA-N 1 2 349.431 2.443 20 5 EEBDLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000347699977 465177471 /nfs/dbraw/zinc/17/74/71/465177471.db2.gz IVTRWNKNSMHLAE-UHFFFAOYSA-N 1 2 341.327 2.451 20 5 EEBDLO CCn1ccnc1[C@@H](C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590661016 468298194 /nfs/dbraw/zinc/29/81/94/468298194.db2.gz ZWTNWABMUNJISW-LLVKDONJSA-N 1 2 332.360 2.433 20 5 EEBDLO Cc1nn(C)c(N2CC[NH+](Cc3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000152562251 462547830 /nfs/dbraw/zinc/54/78/30/462547830.db2.gz YXIHILZLSALPCU-UHFFFAOYSA-N 1 2 333.367 2.098 20 5 EEBDLO O=C(NCCCCn1cc[nH+]c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000060407952 462548196 /nfs/dbraw/zinc/54/81/96/462548196.db2.gz HBHJGLMXRPVGCG-UHFFFAOYSA-N 1 2 327.344 2.483 20 5 EEBDLO Cc1cc(N(C)[C@@H]2CCN(C)C2=O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000075053449 462668405 /nfs/dbraw/zinc/66/84/05/462668405.db2.gz MEGIFTWOSRXNRU-CQSZACIVSA-N 1 2 341.371 2.027 20 5 EEBDLO Cc1n[nH]c(C)c1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000063838220 462677538 /nfs/dbraw/zinc/67/75/38/462677538.db2.gz LLDGRZLAEBEBCC-UHFFFAOYSA-N 1 2 326.316 2.373 20 5 EEBDLO COc1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000089968421 462756279 /nfs/dbraw/zinc/75/62/79/462756279.db2.gz QRORBGICDUPFJI-UHFFFAOYSA-N 1 2 334.294 2.493 20 5 EEBDLO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000130946033 462783882 /nfs/dbraw/zinc/78/38/82/462783882.db2.gz UCCLLABEZDSFOB-UHFFFAOYSA-N 1 2 339.311 2.442 20 5 EEBDLO Nc1nc(NCCNc2ccc3ccccc3[nH+]2)ncc1[N+](=O)[O-] ZINC000076268921 462833416 /nfs/dbraw/zinc/83/34/16/462833416.db2.gz NWMJVVFBRUXHNQ-UHFFFAOYSA-N 1 2 325.332 2.039 20 5 EEBDLO CN(CCCn1cc[nH+]c1)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000133040243 462894900 /nfs/dbraw/zinc/89/49/00/462894900.db2.gz NJHBLIKRPKNMIZ-UHFFFAOYSA-N 1 2 343.387 2.210 20 5 EEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000155733408 462935793 /nfs/dbraw/zinc/93/57/93/462935793.db2.gz KXXCBCNOAWXAQA-LBPRGKRZSA-N 1 2 344.371 2.457 20 5 EEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000155733408 462935799 /nfs/dbraw/zinc/93/57/99/462935799.db2.gz KXXCBCNOAWXAQA-LBPRGKRZSA-N 1 2 344.371 2.457 20 5 EEBDLO CC1(C)C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000155735298 462935885 /nfs/dbraw/zinc/93/58/85/462935885.db2.gz UXHQJJLDAIYVQC-CYBMUJFWSA-N 1 2 344.371 2.468 20 5 EEBDLO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000053897971 463196109 /nfs/dbraw/zinc/19/61/09/463196109.db2.gz NOGBSQJLAIEICD-NSHDSACASA-N 1 2 337.376 2.041 20 5 EEBDLO CCCCNC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030912504 463317088 /nfs/dbraw/zinc/31/70/88/463317088.db2.gz CAEKKJXIELPGTF-CQSZACIVSA-N 1 2 334.420 2.022 20 5 EEBDLO CCn1cc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000072982026 463570638 /nfs/dbraw/zinc/57/06/38/463570638.db2.gz GVBJWCHSOHMPCP-LBPRGKRZSA-N 1 2 331.376 2.270 20 5 EEBDLO CCn1cc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cn1 ZINC000072982026 463570641 /nfs/dbraw/zinc/57/06/41/463570641.db2.gz GVBJWCHSOHMPCP-LBPRGKRZSA-N 1 2 331.376 2.270 20 5 EEBDLO NC(=O)c1ccc(NCc2ccccc2-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000170087850 463675594 /nfs/dbraw/zinc/67/55/94/463675594.db2.gz KTUIZAFEDOZUHB-UHFFFAOYSA-N 1 2 337.339 2.492 20 5 EEBDLO Cc1cc(NC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286989889 463764067 /nfs/dbraw/zinc/76/40/67/463764067.db2.gz DTMCWOYKMBTIBT-UKRRQHHQSA-N 1 2 348.403 2.230 20 5 EEBDLO CC(C)[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000283151207 463781571 /nfs/dbraw/zinc/78/15/71/463781571.db2.gz YOTDWWZWEDBDII-LLVKDONJSA-N 1 2 346.372 2.450 20 5 EEBDLO CC(=O)c1cc(N[C@H](C)CC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000287096683 463798283 /nfs/dbraw/zinc/79/82/83/463798283.db2.gz ZAEFWMBOXDMTOQ-CYBMUJFWSA-N 1 2 334.420 2.235 20 5 EEBDLO CCN1CC[NH+]([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3C(C)=O)C2)CC1 ZINC000287159462 463818760 /nfs/dbraw/zinc/81/87/60/463818760.db2.gz GNQOABFTBOTKBA-MRXNPFEDSA-N 1 2 346.431 2.014 20 5 EEBDLO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269636476 464041962 /nfs/dbraw/zinc/04/19/62/464041962.db2.gz HMDIKNKCWGEHBR-DLBZAZTESA-N 1 2 344.367 2.474 20 5 EEBDLO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269636476 464041967 /nfs/dbraw/zinc/04/19/67/464041967.db2.gz HMDIKNKCWGEHBR-DLBZAZTESA-N 1 2 344.367 2.474 20 5 EEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279215352 464066681 /nfs/dbraw/zinc/06/66/81/464066681.db2.gz CGUIDBLSCQIVOK-HSMVNMDESA-N 1 2 333.388 2.421 20 5 EEBDLO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279215352 464066687 /nfs/dbraw/zinc/06/66/87/464066687.db2.gz CGUIDBLSCQIVOK-HSMVNMDESA-N 1 2 333.388 2.421 20 5 EEBDLO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000292291728 464187240 /nfs/dbraw/zinc/18/72/40/464187240.db2.gz CMCNSFAUVQVZDR-LBPRGKRZSA-N 1 2 341.367 2.477 20 5 EEBDLO C[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])Cc2ccccc2O1 ZINC000292291728 464187242 /nfs/dbraw/zinc/18/72/42/464187242.db2.gz CMCNSFAUVQVZDR-LBPRGKRZSA-N 1 2 341.367 2.477 20 5 EEBDLO O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000281069790 464320500 /nfs/dbraw/zinc/32/05/00/464320500.db2.gz ZQIHXAVFDBTSEI-UHFFFAOYSA-N 1 2 333.388 2.391 20 5 EEBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245442143 464482382 /nfs/dbraw/zinc/48/23/82/464482382.db2.gz WARQGENERGOMDB-HUUCEWRRSA-N 1 2 326.418 2.382 20 5 EEBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245442143 464482388 /nfs/dbraw/zinc/48/23/88/464482388.db2.gz WARQGENERGOMDB-HUUCEWRRSA-N 1 2 326.418 2.382 20 5 EEBDLO CC[C@](C)([NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000265411947 464549526 /nfs/dbraw/zinc/54/95/26/464549526.db2.gz FJKOLMSCCMASSV-INIZCTEOSA-N 1 2 337.376 2.163 20 5 EEBDLO CCOC(=O)c1ccnc(NCc2ccc(N(C)C)[nH+]c2)c1[N+](=O)[O-] ZINC000265534077 464594322 /nfs/dbraw/zinc/59/43/22/464594322.db2.gz BRHCBZKGZGTFJP-UHFFFAOYSA-N 1 2 345.359 2.240 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000282000059 464663530 /nfs/dbraw/zinc/66/35/30/464663530.db2.gz QHYIKOKGOVLQAZ-UHFFFAOYSA-N 1 2 333.348 2.402 20 5 EEBDLO COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N)c1C ZINC000190650235 464695435 /nfs/dbraw/zinc/69/54/35/464695435.db2.gz YENFQBPFOWSCOP-UHFFFAOYSA-N 1 2 344.371 2.470 20 5 EEBDLO COc1ccc(NC(=O)CC[N@H+](C)Cc2ccon2)c([N+](=O)[O-])c1 ZINC000265839023 464705417 /nfs/dbraw/zinc/70/54/17/464705417.db2.gz WGIOKQUHVCLXDO-UHFFFAOYSA-N 1 2 334.332 2.052 20 5 EEBDLO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccon2)c([N+](=O)[O-])c1 ZINC000265839023 464705421 /nfs/dbraw/zinc/70/54/21/464705421.db2.gz WGIOKQUHVCLXDO-UHFFFAOYSA-N 1 2 334.332 2.052 20 5 EEBDLO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000183157485 464811089 /nfs/dbraw/zinc/81/10/89/464811089.db2.gz LWRMTHQNKMTPDN-GARJFASQSA-N 1 2 341.795 2.278 20 5 EEBDLO C[C@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000183157485 464811096 /nfs/dbraw/zinc/81/10/96/464811096.db2.gz LWRMTHQNKMTPDN-GARJFASQSA-N 1 2 341.795 2.278 20 5 EEBDLO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCNc1cccc[nH+]1 ZINC000266948916 464882460 /nfs/dbraw/zinc/88/24/60/464882460.db2.gz STLZAEIZYCASGU-UHFFFAOYSA-N 1 2 343.387 2.410 20 5 EEBDLO Cc1ccc(NCCCNC(=O)C=Cc2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC000276509326 464961171 /nfs/dbraw/zinc/96/11/71/464961171.db2.gz AWDVNWGWTTVYHB-GQCTYLIASA-N 1 2 329.360 2.258 20 5 EEBDLO COc1cc[nH+]cc1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000348308867 465543505 /nfs/dbraw/zinc/54/35/05/465543505.db2.gz AMRDHPMCFUASLU-UHFFFAOYSA-N 1 2 340.339 2.270 20 5 EEBDLO Cn1nnc2cc(C[N@@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)ccc21 ZINC000352707658 465550344 /nfs/dbraw/zinc/55/03/44/465550344.db2.gz BINMSTMLILBNKA-UHFFFAOYSA-N 1 2 339.355 2.271 20 5 EEBDLO Cn1nnc2cc(C[N@H+]3CCOc4ccc([N+](=O)[O-])cc4C3)ccc21 ZINC000352707658 465550350 /nfs/dbraw/zinc/55/03/50/465550350.db2.gz BINMSTMLILBNKA-UHFFFAOYSA-N 1 2 339.355 2.271 20 5 EEBDLO CCc1[nH]nc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1[N+](=O)[O-] ZINC000344667355 465765073 /nfs/dbraw/zinc/76/50/73/465765073.db2.gz KYSVCGAQGCUYQM-UHFFFAOYSA-N 1 2 326.316 2.318 20 5 EEBDLO COc1cc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000362591332 465858907 /nfs/dbraw/zinc/85/89/07/465858907.db2.gz QNINPIVOHWAIMK-HNNXBMFYSA-N 1 2 336.388 2.231 20 5 EEBDLO COc1cc(C[N@H+]2CCO[C@H](COCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000362591332 465858919 /nfs/dbraw/zinc/85/89/19/465858919.db2.gz QNINPIVOHWAIMK-HNNXBMFYSA-N 1 2 336.388 2.231 20 5 EEBDLO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362595559 465864647 /nfs/dbraw/zinc/86/46/47/465864647.db2.gz DZCJIQYSFINDDJ-OAHLLOKOSA-N 1 2 336.388 2.101 20 5 EEBDLO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362595559 465864653 /nfs/dbraw/zinc/86/46/53/465864653.db2.gz DZCJIQYSFINDDJ-OAHLLOKOSA-N 1 2 336.388 2.101 20 5 EEBDLO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(Br)cn1 ZINC000361398147 465960130 /nfs/dbraw/zinc/96/01/30/465960130.db2.gz QISKWDDLMUVYPA-MRVPVSSYSA-N 1 2 340.181 2.337 20 5 EEBDLO CCOc1cc(CN2CCC[C@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000569256394 468465244 /nfs/dbraw/zinc/46/52/44/468465244.db2.gz NKDHIGJQDWLJFL-INIZCTEOSA-N 1 2 349.431 2.290 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000340476444 466113683 /nfs/dbraw/zinc/11/36/83/466113683.db2.gz QAVOQZUKUAECLT-DAXSKMNVSA-N 1 2 340.383 2.394 20 5 EEBDLO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000340581673 466184365 /nfs/dbraw/zinc/18/43/65/466184365.db2.gz ZBUMNJPTFVBXNI-LLVKDONJSA-N 1 2 327.331 2.173 20 5 EEBDLO CC(=O)N1CC[C@H](C[N@H+](C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000340581673 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CC(C)(CCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1)[N+](=O)[O-] ZINC000294580505 293491423 /nfs/dbraw/zinc/49/14/23/293491423.db2.gz XZIQQEPPRPVAGD-MRXNPFEDSA-N 1 2 349.431 2.012 20 5 EEBDLO CO[C@@]1(C)CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000359722536 294134309 /nfs/dbraw/zinc/13/43/09/294134309.db2.gz PPVUBPNNBYDFJL-SFHVURJKSA-N 1 2 349.431 2.432 20 5 EEBDLO Cc1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000153861598 301350743 /nfs/dbraw/zinc/35/07/43/301350743.db2.gz GUYHSGQSQMFGPL-OAHLLOKOSA-N 1 2 348.403 2.232 20 5 EEBDLO O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000326949109 311604759 /nfs/dbraw/zinc/60/47/59/311604759.db2.gz FIIFWSRHRBWLFK-UHFFFAOYSA-N 1 2 333.388 2.391 20 5 EEBDLO C[C@H]1C[C@@H](CO)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420945716 314005886 /nfs/dbraw/zinc/00/58/86/314005886.db2.gz RWAUFQYVLZRZBG-WDEREUQCSA-N 1 2 341.795 2.137 20 5 EEBDLO C[C@H]1C[C@@H](CO)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420945716 314005891 /nfs/dbraw/zinc/00/58/91/314005891.db2.gz RWAUFQYVLZRZBG-WDEREUQCSA-N 1 2 341.795 2.137 20 5 EEBDLO CC[C@H]1C[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H](CC)O1 ZINC000420945860 314005963 /nfs/dbraw/zinc/00/59/63/314005963.db2.gz BIMKOBKTTOPNCQ-HOTGVXAUSA-N 1 2 347.415 2.373 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000421764431 314158561 /nfs/dbraw/zinc/15/85/61/314158561.db2.gz VEOQGDZKEUKMOG-KBPBESRZSA-N 1 2 335.404 2.051 20 5 EEBDLO C[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448868566 315394581 /nfs/dbraw/zinc/39/45/81/315394581.db2.gz KPWIATWEYNFUGV-OCCSQVGLSA-N 1 2 344.371 2.468 20 5 EEBDLO C[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+]1CCOCC1 ZINC000452835535 315604456 /nfs/dbraw/zinc/60/44/56/315604456.db2.gz CSEIOXOETREDAS-GDBMZVCRSA-N 1 2 347.415 2.022 20 5 EEBDLO C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000573071179 319901576 /nfs/dbraw/zinc/90/15/76/319901576.db2.gz GMKXPZMAKXIROU-TZMCWYRMSA-N 1 2 344.371 2.014 20 5 EEBDLO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000255081255 465025409 /nfs/dbraw/zinc/02/54/09/465025409.db2.gz RBMMMZMOBNMCNF-AJHXJQRKSA-N 1 2 338.367 2.398 20 5 EEBDLO O=C(Nc1cc[nH+]cc1O)c1ccc([N+](=O)[O-])cc1Br ZINC000358334088 465065459 /nfs/dbraw/zinc/06/54/59/465065459.db2.gz GVNANWALESEUBI-UHFFFAOYSA-N 1 2 338.117 2.132 20 5 EEBDLO CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000007386426 462733615 /nfs/dbraw/zinc/73/36/15/462733615.db2.gz IRRKNPSCYGSUPE-LBPRGKRZSA-N 1 2 349.387 2.197 20 5 EEBDLO CC[C@H](C)NC(=O)CN1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075597434 462736557 /nfs/dbraw/zinc/73/65/57/462736557.db2.gz YHMHUEZKYTVWMW-GJZGRUSLSA-N 1 2 348.447 2.188 20 5 EEBDLO CC(C)(C)c1noc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000118866192 462858043 /nfs/dbraw/zinc/85/80/43/462858043.db2.gz NSBQDRFYDPSERQ-NSHDSACASA-N 1 2 346.391 2.357 20 5 EEBDLO CC(C)(C)c1noc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)n1 ZINC000118866192 462858053 /nfs/dbraw/zinc/85/80/53/462858053.db2.gz NSBQDRFYDPSERQ-NSHDSACASA-N 1 2 346.391 2.357 20 5 EEBDLO O=C(NCc1nccs1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000077223058 462956011 /nfs/dbraw/zinc/95/60/11/462956011.db2.gz GZMMUOUTUKPUIR-UHFFFAOYSA-N 1 2 329.341 2.167 20 5 EEBDLO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092705957 462976247 /nfs/dbraw/zinc/97/62/47/462976247.db2.gz KFSXLZPOMZDFFN-CYBMUJFWSA-N 1 2 335.404 2.285 20 5 EEBDLO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092705957 462976250 /nfs/dbraw/zinc/97/62/50/462976250.db2.gz KFSXLZPOMZDFFN-CYBMUJFWSA-N 1 2 335.404 2.285 20 5 EEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000052749663 463103313 /nfs/dbraw/zinc/10/33/13/463103313.db2.gz DZVGHWZNSKELRN-NSHDSACASA-N 1 2 329.360 2.184 20 5 EEBDLO CCC1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000053376947 463156150 /nfs/dbraw/zinc/15/61/50/463156150.db2.gz BQTLRHVFZFENII-UHFFFAOYSA-N 1 2 335.360 2.384 20 5 EEBDLO C[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346221 463160391 /nfs/dbraw/zinc/16/03/91/463160391.db2.gz VKMRPCWHXZEGDD-UHFFFAOYSA-N 1 2 331.347 2.482 20 5 EEBDLO C[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026346221 463160398 /nfs/dbraw/zinc/16/03/98/463160398.db2.gz VKMRPCWHXZEGDD-UHFFFAOYSA-N 1 2 331.347 2.482 20 5 EEBDLO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000121618344 463167576 /nfs/dbraw/zinc/16/75/76/463167576.db2.gz GALHSCXUXXHFRD-CYBMUJFWSA-N 1 2 331.303 2.422 20 5 EEBDLO O=[N+]([O-])c1cc(F)ccc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000069559500 463275469 /nfs/dbraw/zinc/27/54/69/463275469.db2.gz WDZGBTKLAMSFDG-UHFFFAOYSA-N 1 2 335.339 2.006 20 5 EEBDLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)S1 ZINC000080779772 463355230 /nfs/dbraw/zinc/35/52/30/463355230.db2.gz UXUAFUSVDMBBGM-LLVKDONJSA-N 1 2 349.416 2.236 20 5 EEBDLO Cc1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1[N+](=O)[O-] ZINC000161218797 463411363 /nfs/dbraw/zinc/41/13/63/463411363.db2.gz QXNDHLKUBBUHRS-CYBMUJFWSA-N 1 2 326.356 2.307 20 5 EEBDLO C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000124523340 463433605 /nfs/dbraw/zinc/43/36/05/463433605.db2.gz QCZLCHYVWOWNKU-BBRMVZONSA-N 1 2 344.371 2.280 20 5 EEBDLO CCCN1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1=O ZINC000276843029 463777629 /nfs/dbraw/zinc/77/76/29/463777629.db2.gz CNRXSDUTDFQYBI-UHFFFAOYSA-N 1 2 335.404 2.438 20 5 EEBDLO CCCN1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1=O ZINC000276843029 463777636 /nfs/dbraw/zinc/77/76/36/463777636.db2.gz CNRXSDUTDFQYBI-UHFFFAOYSA-N 1 2 335.404 2.438 20 5 EEBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCN(c3cnccn3)CC2)c1 ZINC000172175250 464009209 /nfs/dbraw/zinc/00/92/09/464009209.db2.gz PKUQKITVYLIRGZ-UHFFFAOYSA-N 1 2 333.779 2.360 20 5 EEBDLO C[C@@H](O)C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000269904103 464125451 /nfs/dbraw/zinc/12/54/51/464125451.db2.gz MSJHGCDKXMLYSB-TZMCWYRMSA-N 1 2 344.371 2.156 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ncccn3)CC2)c(Cl)c1 ZINC000182010115 464550228 /nfs/dbraw/zinc/55/02/28/464550228.db2.gz OAYAZKSOZLWYLF-UHFFFAOYSA-N 1 2 333.779 2.360 20 5 EEBDLO CC(C)[N@@H+]1CCO[C@H](c2noc(COc3ccccc3[N+](=O)[O-])n2)C1 ZINC000272353922 464575077 /nfs/dbraw/zinc/57/50/77/464575077.db2.gz AQXUTBAPGHPKNG-AWEZNQCLSA-N 1 2 348.359 2.339 20 5 EEBDLO CC(C)[N@H+]1CCO[C@H](c2noc(COc3ccccc3[N+](=O)[O-])n2)C1 ZINC000272353922 464575082 /nfs/dbraw/zinc/57/50/82/464575082.db2.gz AQXUTBAPGHPKNG-AWEZNQCLSA-N 1 2 348.359 2.339 20 5 EEBDLO COCC[C@@H](CO)Nc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000281832560 464601833 /nfs/dbraw/zinc/60/18/33/464601833.db2.gz KUJWPDDLMZSLPS-ZDUSSCGKSA-N 1 2 332.360 2.170 20 5 EEBDLO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000286497037 464939846 /nfs/dbraw/zinc/93/98/46/464939846.db2.gz XVLWWKCQKZGPDV-UKRRQHHQSA-N 1 2 342.399 2.442 20 5 EEBDLO C[C@@H]1CN(c2ccc(CNc3cc(N)ccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000192779490 464996278 /nfs/dbraw/zinc/99/62/78/464996278.db2.gz YFTDDIOOPQFVKN-GFCCVEGCSA-N 1 2 343.387 2.409 20 5 EEBDLO CS(=O)(=O)CC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000348065563 465401718 /nfs/dbraw/zinc/40/17/18/465401718.db2.gz CISVXHQLQQPGHA-UHFFFAOYSA-N 1 2 338.429 2.384 20 5 EEBDLO CS(=O)(=O)CC1(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000348065563 465401723 /nfs/dbraw/zinc/40/17/23/465401723.db2.gz CISVXHQLQQPGHA-UHFFFAOYSA-N 1 2 338.429 2.384 20 5 EEBDLO COc1cc[nH+]cc1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000348299066 465538940 /nfs/dbraw/zinc/53/89/40/465538940.db2.gz DFQSSUISKBZQBU-UHFFFAOYSA-N 1 2 330.344 2.117 20 5 EEBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000299059921 465580913 /nfs/dbraw/zinc/58/09/13/465580913.db2.gz QFLIAGMLYIIGRK-ZDUSSCGKSA-N 1 2 343.387 2.210 20 5 EEBDLO Cc1c[nH]c(-c2ccccc2NC(=O)Cn2ccc([N+](=O)[O-])n2)[nH+]1 ZINC000371254470 465670571 /nfs/dbraw/zinc/67/05/71/465670571.db2.gz WHUJQCFYLNIZMK-UHFFFAOYSA-N 1 2 326.316 2.129 20 5 EEBDLO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000361107994 465768278 /nfs/dbraw/zinc/76/82/78/465768278.db2.gz BOSGBIYZSPSFLR-CXAGYDPISA-N 1 2 336.388 2.373 20 5 EEBDLO COc1ccc(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000361107994 465768286 /nfs/dbraw/zinc/76/82/86/465768286.db2.gz BOSGBIYZSPSFLR-CXAGYDPISA-N 1 2 336.388 2.373 20 5 EEBDLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])CCC2 ZINC000366722779 465897465 /nfs/dbraw/zinc/89/74/65/465897465.db2.gz ZHCJXBNNEFWEPO-CQSZACIVSA-N 1 2 343.387 2.477 20 5 EEBDLO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000353944243 466272661 /nfs/dbraw/zinc/27/26/61/466272661.db2.gz ZCEFYCBZPAECHR-GFCCVEGCSA-N 1 2 329.360 2.490 20 5 EEBDLO COc1c(C(=O)NCCc2cn3c([nH+]2)CCCC3)cccc1[N+](=O)[O-] ZINC000347021827 466327753 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O=[N+]([O-])c1cc(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)ccn1 ZINC001233858331 1304618240 /nfs/dbraw/zinc/61/82/40/1304618240.db2.gz USEHWZUBNKEOCW-INIZCTEOSA-N 1 2 329.356 2.270 20 5 EEBDLO O=[N+]([O-])c1cc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)ccn1 ZINC001233858331 1304618245 /nfs/dbraw/zinc/61/82/45/1304618245.db2.gz USEHWZUBNKEOCW-INIZCTEOSA-N 1 2 329.356 2.270 20 5 EEBDLO CCc1cc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)ncn1 ZINC001118923449 1308959609 /nfs/dbraw/zinc/95/96/09/1308959609.db2.gz HGPSVMYEXHNXIC-UHFFFAOYSA-N 1 2 327.388 2.269 20 5 EEBDLO O=[N+]([O-])c1cnn(Cc2nc(-c3ccccc3-n3cc[nH+]c3)no2)c1 ZINC001247101149 1310519046 /nfs/dbraw/zinc/51/90/46/1310519046.db2.gz KIQDFVOFXMSMFO-UHFFFAOYSA-N 1 2 337.299 2.075 20 5 EEBDLO CCOC(=O)[C@@H](C)COC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835198511 1314904064 /nfs/dbraw/zinc/90/40/64/1314904064.db2.gz LMTURJVIIJYHSY-NSHDSACASA-N 1 2 347.327 2.137 20 5 EEBDLO Cc1ccc(-c2ccc(NC[C@@H]3C[N@H+](C)CCO3)nn2)cc1[N+](=O)[O-] ZINC001155198196 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1 2 344.371 2.444 20 5 EEBDLO COCn1ncc(C)c1C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001262355529 1322287265 /nfs/dbraw/zinc/28/72/65/1322287265.db2.gz YCZFHCWUHLLOFQ-UHFFFAOYSA-N 1 2 345.403 2.026 20 5 EEBDLO C[C@@]1([C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC001308085358 1331563883 /nfs/dbraw/zinc/56/38/83/1331563883.db2.gz LLGYFAIYZNTTPD-WBMJQRKESA-N 1 2 335.360 2.011 20 5 EEBDLO C[C@@]1([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)COC(=O)N1 ZINC001308085358 1331563888 /nfs/dbraw/zinc/56/38/88/1331563888.db2.gz LLGYFAIYZNTTPD-WBMJQRKESA-N 1 2 335.360 2.011 20 5 EEBDLO O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001602404838 1350511858 /nfs/dbraw/zinc/51/18/58/1350511858.db2.gz HIIFCWVSTYXEGW-ZDUSSCGKSA-N 1 2 333.388 2.211 20 5 EEBDLO O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001602404838 1350511860 /nfs/dbraw/zinc/51/18/60/1350511860.db2.gz HIIFCWVSTYXEGW-ZDUSSCGKSA-N 1 2 333.388 2.211 20 5 EEBDLO 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COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2C[C@H](F)C[C@@H](CO)C2)c1F ZINC001173179816 797278661 /nfs/dbraw/zinc/27/86/61/797278661.db2.gz HIPWCPUTSBVAFK-QJPTWQEYSA-N 1 2 344.358 2.326 20 5 EEBDLO CN(CCCNc1ccc([N+](=O)[O-])cc1)C(=O)CCc1c[nH+]cn1C ZINC001109495176 805560899 /nfs/dbraw/zinc/56/08/99/805560899.db2.gz JCOGCABVDLZQIU-UHFFFAOYSA-N 1 2 345.403 2.222 20 5 EEBDLO CC[N@@H+]1CCO[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000805477508 811308250 /nfs/dbraw/zinc/30/82/50/811308250.db2.gz KTLQZMZJGFHXJL-ZDUSSCGKSA-N 1 2 328.752 2.012 20 5 EEBDLO CC[N@H+]1CCO[C@H](C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000805477508 811308262 /nfs/dbraw/zinc/30/82/62/811308262.db2.gz KTLQZMZJGFHXJL-ZDUSSCGKSA-N 1 2 328.752 2.012 20 5 EEBDLO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](c2ccccc2)C1 ZINC000178157281 530069943 /nfs/dbraw/zinc/06/99/43/530069943.db2.gz HISIOQJDFXLQNQ-MRXNPFEDSA-N 1 2 340.383 2.306 20 5 EEBDLO C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](c2ccccc2)C1 ZINC000178157281 530069944 /nfs/dbraw/zinc/06/99/44/530069944.db2.gz HISIOQJDFXLQNQ-MRXNPFEDSA-N 1 2 340.383 2.306 20 5 EEBDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c(N)c([N+](=O)[O-])c1 ZINC000104135871 219352237 /nfs/dbraw/zinc/35/22/37/219352237.db2.gz VGEQAGZCERJWTP-UHFFFAOYSA-N 1 2 347.400 2.182 20 5 EEBDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c(N)c([N+](=O)[O-])c1 ZINC000104135871 219352242 /nfs/dbraw/zinc/35/22/42/219352242.db2.gz VGEQAGZCERJWTP-UHFFFAOYSA-N 1 2 347.400 2.182 20 5 EEBDLO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000368551393 291130822 /nfs/dbraw/zinc/13/08/22/291130822.db2.gz PGBBAPMJKGWQOW-JQWIXIFHSA-N 1 2 327.331 2.172 20 5 EEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cn4ccsc4n3)C2)nc1 ZINC000072665103 216289584 /nfs/dbraw/zinc/28/95/84/216289584.db2.gz FZIWUYXWYCMEIT-NSHDSACASA-N 1 2 344.400 2.385 20 5 EEBDLO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cn4ccsc4n3)C2)nc1 ZINC000072665103 216289587 /nfs/dbraw/zinc/28/95/87/216289587.db2.gz FZIWUYXWYCMEIT-NSHDSACASA-N 1 2 344.400 2.385 20 5 EEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000427994445 241510444 /nfs/dbraw/zinc/51/04/44/241510444.db2.gz SGCKQTYBGYEJQM-JTQLQIEISA-N 1 2 332.385 2.258 20 5 EEBDLO O=C(N[C@H]1CC12CCOCC2)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000456214393 244186556 /nfs/dbraw/zinc/18/65/56/244186556.db2.gz IRRKRKBIXYZVET-HNNXBMFYSA-N 1 2 342.355 2.079 20 5 EEBDLO O=C(COc1ccc([N+](=O)[O-])cc1)NCCCCNc1cccc[nH+]1 ZINC000264199085 246171372 /nfs/dbraw/zinc/17/13/72/246171372.db2.gz SHTGYOISCXMJRN-UHFFFAOYSA-N 1 2 344.371 2.377 20 5 EEBDLO O=C1NCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1Cc1ccccc1 ZINC000343902855 296373125 /nfs/dbraw/zinc/37/31/25/296373125.db2.gz CYEUPXGXXQCWJI-QGZVFWFLSA-N 1 2 325.368 2.138 20 5 EEBDLO O=C1NCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1Cc1ccccc1 ZINC000343902855 296373128 /nfs/dbraw/zinc/37/31/28/296373128.db2.gz CYEUPXGXXQCWJI-QGZVFWFLSA-N 1 2 325.368 2.138 20 5 EEBDLO C[C@H](O)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000118730384 221174228 /nfs/dbraw/zinc/17/42/28/221174228.db2.gz RNXCYQTZPMBLSR-LBPRGKRZSA-N 1 2 344.371 2.014 20 5 EEBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccnc1 ZINC000119024567 221225748 /nfs/dbraw/zinc/22/57/48/221225748.db2.gz YUYNYJUETACTIX-UHFFFAOYSA-N 1 2 326.356 2.011 20 5 EEBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cccnc1 ZINC000119024567 221225752 /nfs/dbraw/zinc/22/57/52/221225752.db2.gz YUYNYJUETACTIX-UHFFFAOYSA-N 1 2 326.356 2.011 20 5 EEBDLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000273597345 256310268 /nfs/dbraw/zinc/31/02/68/256310268.db2.gz KNIBIWTXTIEIRW-VIFPVBQESA-N 1 2 335.389 2.352 20 5 EEBDLO COc1cc(-c2nc([C@H]3C[N@@H+](C4CC4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000273905345 256337583 /nfs/dbraw/zinc/33/75/83/256337583.db2.gz POBGSCYVJQDOGE-CQSZACIVSA-N 1 2 346.343 2.189 20 5 EEBDLO COc1cc(-c2nc([C@H]3C[N@H+](C4CC4)CCO3)no2)ccc1[N+](=O)[O-] ZINC000273905345 256337585 /nfs/dbraw/zinc/33/75/85/256337585.db2.gz POBGSCYVJQDOGE-CQSZACIVSA-N 1 2 346.343 2.189 20 5 EEBDLO Cn1c2ccccc2[nH+]c1Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000194646927 160197784 /nfs/dbraw/zinc/19/77/84/160197784.db2.gz YZRPVZCCSIQQTR-UHFFFAOYSA-N 1 2 335.323 2.240 20 5 EEBDLO COc1cc(C(=O)N[C@H](c2[nH+]ccn2C)C2CC2)ccc1[N+](=O)[O-] ZINC000341714322 161008106 /nfs/dbraw/zinc/00/81/06/161008106.db2.gz DNEUYASZCBTCCV-AWEZNQCLSA-N 1 2 330.344 2.218 20 5 EEBDLO COc1cc(C)c(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000355655751 163260994 /nfs/dbraw/zinc/26/09/94/163260994.db2.gz IIBSMNXICWVMEJ-UHFFFAOYSA-N 1 2 334.376 2.286 20 5 EEBDLO COc1cc(C)c(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)cc1OC ZINC000355655751 163260997 /nfs/dbraw/zinc/26/09/97/163260997.db2.gz IIBSMNXICWVMEJ-UHFFFAOYSA-N 1 2 334.376 2.286 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000376111854 167263436 /nfs/dbraw/zinc/26/34/36/167263436.db2.gz ILDMCUGKUDJHCK-SNVBAGLBSA-N 1 2 347.350 2.069 20 5 EEBDLO Cc1cc(OCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000280788277 269390078 /nfs/dbraw/zinc/39/00/78/269390078.db2.gz KSQGMDXBBCLPRM-CYBMUJFWSA-N 1 2 344.371 2.411 20 5 EEBDLO CC1(C)C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1O ZINC000275498307 274254099 /nfs/dbraw/zinc/25/40/99/274254099.db2.gz QNWUHECLLWRCJT-ZDUSSCGKSA-N 1 2 341.795 2.280 20 5 EEBDLO CC1(C)C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1O ZINC000275498307 274254100 /nfs/dbraw/zinc/25/41/00/274254100.db2.gz QNWUHECLLWRCJT-ZDUSSCGKSA-N 1 2 341.795 2.280 20 5 EEBDLO CN(C(=O)C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000290014298 275170970 /nfs/dbraw/zinc/17/09/70/275170970.db2.gz ZUPKBAQNYGMUHR-DOTOQJQBSA-N 1 2 347.415 2.447 20 5 EEBDLO CN(C(=O)C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000290014298 275170971 /nfs/dbraw/zinc/17/09/71/275170971.db2.gz ZUPKBAQNYGMUHR-DOTOQJQBSA-N 1 2 347.415 2.447 20 5 EEBDLO O=[N+]([O-])c1ccc(C[N@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000172833309 280363339 /nfs/dbraw/zinc/36/33/39/280363339.db2.gz CXHYXKXXXALPCY-UHFFFAOYSA-N 1 2 331.328 2.498 20 5 EEBDLO O=[N+]([O-])c1ccc(C[N@@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000172833309 280363341 /nfs/dbraw/zinc/36/33/41/280363341.db2.gz CXHYXKXXXALPCY-UHFFFAOYSA-N 1 2 331.328 2.498 20 5 EEBDLO O=C(/C=C\c1ccccc1[N+](=O)[O-])N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000255472181 292707150 /nfs/dbraw/zinc/70/71/50/292707150.db2.gz GBJHZWUXICTMQL-CDNLZTBQSA-N 1 2 338.367 2.398 20 5 EEBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(C)(C)O ZINC000293889240 293319532 /nfs/dbraw/zinc/31/95/32/293319532.db2.gz CEXVCXSGKHVBOQ-AWEZNQCLSA-N 1 2 332.360 2.060 20 5 EEBDLO C[C@@H]1CCC[C@]1(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000294456578 293458325 /nfs/dbraw/zinc/45/83/25/293458325.db2.gz WEPMRNWLRUCKHW-PXAZEXFGSA-N 1 2 344.371 2.061 20 5 EEBDLO Cc1ccc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000294966611 293593160 /nfs/dbraw/zinc/59/31/60/293593160.db2.gz FIGSILUPEIOUFE-HNNXBMFYSA-N 1 2 332.404 2.486 20 5 EEBDLO Nc1c(C(=O)N2CC[NH+](Cc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000362479852 312417172 /nfs/dbraw/zinc/41/71/72/312417172.db2.gz KHIMPIUUQVKWCU-UHFFFAOYSA-N 1 2 346.412 2.197 20 5 EEBDLO CCc1cc(N[C@@H](C)CC(=O)OC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000507133208 316373132 /nfs/dbraw/zinc/37/31/32/316373132.db2.gz ZXXYIRQQPDVSNJ-NSHDSACASA-N 1 2 344.371 2.400 20 5 EEBDLO Cc1nnc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000544520527 318189411 /nfs/dbraw/zinc/18/94/11/318189411.db2.gz TUTXDXDBYNIVDS-JTQLQIEISA-N 1 2 333.348 2.274 20 5 EEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000574464790 320028115 /nfs/dbraw/zinc/02/81/15/320028115.db2.gz SWZOGHVBHAXWAD-LBPRGKRZSA-N 1 2 349.366 2.268 20 5 EEBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000577334752 320249104 /nfs/dbraw/zinc/24/91/04/320249104.db2.gz YRUCXRWSYDYNES-SDNWHVSQSA-N 1 2 332.404 2.297 20 5 EEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000339209215 465144430 /nfs/dbraw/zinc/14/44/30/465144430.db2.gz ZSKCTJJHOGZIKP-SFHVURJKSA-N 1 2 328.368 2.436 20 5 EEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000339209215 465144438 /nfs/dbraw/zinc/14/44/38/465144438.db2.gz ZSKCTJJHOGZIKP-SFHVURJKSA-N 1 2 328.368 2.436 20 5 EEBDLO C[C@@H]1[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000343988973 465572895 /nfs/dbraw/zinc/57/28/95/465572895.db2.gz SLXYQYLEOOQAKC-KOLCDFICSA-N 1 2 347.824 2.009 20 5 EEBDLO C[C@@H]1[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC[N@H+]1C ZINC000343988973 465572902 /nfs/dbraw/zinc/57/29/02/465572902.db2.gz SLXYQYLEOOQAKC-KOLCDFICSA-N 1 2 347.824 2.009 20 5 EEBDLO Cc1cc(NC(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n(C)n1 ZINC000153333085 462639508 /nfs/dbraw/zinc/63/95/08/462639508.db2.gz OWMBYKXCZHYKFR-UHFFFAOYSA-N 1 2 343.387 2.240 20 5 EEBDLO Cc1cc(NC(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n(C)n1 ZINC000153333085 462639512 /nfs/dbraw/zinc/63/95/12/462639512.db2.gz OWMBYKXCZHYKFR-UHFFFAOYSA-N 1 2 343.387 2.240 20 5 EEBDLO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744900 462820364 /nfs/dbraw/zinc/82/03/64/462820364.db2.gz HXCFJIRXXNPAEA-CQSZACIVSA-N 1 2 348.447 2.410 20 5 EEBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccncc3)CC2)c(F)c1 ZINC000095981781 463125576 /nfs/dbraw/zinc/12/55/76/463125576.db2.gz YZYIVKHUUDIBGX-UHFFFAOYSA-N 1 2 330.363 2.447 20 5 EEBDLO CC(C)C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000026062440 463149177 /nfs/dbraw/zinc/14/91/77/463149177.db2.gz OPNMRJDFZDLAQY-AWEZNQCLSA-N 1 2 335.404 2.072 20 5 EEBDLO CNC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000157666010 463154486 /nfs/dbraw/zinc/15/44/86/463154486.db2.gz BCGRUGHANSRQBS-LBPRGKRZSA-N 1 2 341.371 2.040 20 5 EEBDLO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc([N+](=O)[O-])cc2O)o1 ZINC000157695902 463159276 /nfs/dbraw/zinc/15/92/76/463159276.db2.gz SSPYRZXMCXAPEF-UHFFFAOYSA-N 1 2 347.371 2.406 20 5 EEBDLO CCOC(=O)N[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000054518092 463241085 /nfs/dbraw/zinc/24/10/85/463241085.db2.gz RLFFNKCEQVDXAM-CYBMUJFWSA-N 1 2 347.375 2.113 20 5 EEBDLO CCOC(=O)N[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000054518092 463241088 /nfs/dbraw/zinc/24/10/88/463241088.db2.gz RLFFNKCEQVDXAM-CYBMUJFWSA-N 1 2 347.375 2.113 20 5 EEBDLO NC(=O)c1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000029536051 463261847 /nfs/dbraw/zinc/26/18/47/463261847.db2.gz PILJWTUTEWTLPP-QGZVFWFLSA-N 1 2 341.367 2.267 20 5 EEBDLO NC(=O)c1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000029536051 463261851 /nfs/dbraw/zinc/26/18/51/463261851.db2.gz PILJWTUTEWTLPP-QGZVFWFLSA-N 1 2 341.367 2.267 20 5 EEBDLO C[C@@H]1C[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000097083925 463317429 /nfs/dbraw/zinc/31/74/29/463317429.db2.gz QEJRPYBHBPBWGZ-RKDXNWHRSA-N 1 2 345.446 2.097 20 5 EEBDLO C[C@@H]1C[C@@H](Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000097083925 463317434 /nfs/dbraw/zinc/31/74/34/463317434.db2.gz QEJRPYBHBPBWGZ-RKDXNWHRSA-N 1 2 345.446 2.097 20 5 EEBDLO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000080656765 463342385 /nfs/dbraw/zinc/34/23/85/463342385.db2.gz GOTWJRZKCZTDJL-ZDUSSCGKSA-N 1 2 333.388 2.104 20 5 EEBDLO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000080656765 463342392 /nfs/dbraw/zinc/34/23/92/463342392.db2.gz GOTWJRZKCZTDJL-ZDUSSCGKSA-N 1 2 333.388 2.104 20 5 EEBDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000161219483 463411841 /nfs/dbraw/zinc/41/18/41/463411841.db2.gz XMIZDRPUOYCVPF-JTQLQIEISA-N 1 2 348.309 2.277 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000163000846 463556335 /nfs/dbraw/zinc/55/63/35/463556335.db2.gz SPKYEZVJOIKHSM-QWHCGFSZSA-N 1 2 336.392 2.134 20 5 EEBDLO CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000151759680 463585290 /nfs/dbraw/zinc/58/52/90/463585290.db2.gz HQLYOWIFBUSUNM-BBRMVZONSA-N 1 2 344.371 2.468 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000180475795 464317898 /nfs/dbraw/zinc/31/78/98/464317898.db2.gz SPXDUULPJYPILX-UHFFFAOYSA-N 1 2 342.399 2.316 20 5 EEBDLO O=C1NC[C@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN12 ZINC000180481873 464320116 /nfs/dbraw/zinc/32/01/16/464320116.db2.gz HIBUTSYRVMGNAW-AWEZNQCLSA-N 1 2 342.355 2.064 20 5 EEBDLO O=C1NC[C@H]2C[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)CCN12 ZINC000180481873 464320121 /nfs/dbraw/zinc/32/01/21/464320121.db2.gz HIBUTSYRVMGNAW-AWEZNQCLSA-N 1 2 342.355 2.064 20 5 EEBDLO Cc1noc([C@@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCN2C)n1 ZINC000285076892 464446331 /nfs/dbraw/zinc/44/63/31/464446331.db2.gz XWXJJPBAHYNLPK-ABAIWWIYSA-N 1 2 331.376 2.336 20 5 EEBDLO Cc1noc([C@@H]2C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCN2C)n1 ZINC000285076892 464446337 /nfs/dbraw/zinc/44/63/37/464446337.db2.gz XWXJJPBAHYNLPK-ABAIWWIYSA-N 1 2 331.376 2.336 20 5 EEBDLO CCC[C@@](C)(O)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000265784727 464685754 /nfs/dbraw/zinc/68/57/54/464685754.db2.gz HJAGDVXKCUDACQ-MRXNPFEDSA-N 1 2 332.360 2.061 20 5 EEBDLO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccn1 ZINC000295176858 464733734 /nfs/dbraw/zinc/73/37/34/464733734.db2.gz PDPXCIWXEWJGRF-UHFFFAOYSA-N 1 2 326.356 2.011 20 5 EEBDLO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccn1 ZINC000295176858 464733740 /nfs/dbraw/zinc/73/37/40/464733740.db2.gz PDPXCIWXEWJGRF-UHFFFAOYSA-N 1 2 326.356 2.011 20 5 EEBDLO Nc1c(C(=O)NCc2ccccc2-n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000176550813 464798091 /nfs/dbraw/zinc/79/80/91/464798091.db2.gz RRUWVRMZPPMPSH-UHFFFAOYSA-N 1 2 337.339 2.293 20 5 EEBDLO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)CCO1 ZINC000276372573 464906660 /nfs/dbraw/zinc/90/66/60/464906660.db2.gz SNMXURSXYBAOER-JQWIXIFHSA-N 1 2 336.373 2.040 20 5 EEBDLO CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000342573179 465330007 /nfs/dbraw/zinc/33/00/07/465330007.db2.gz SYBSRFUOYNOKPY-NXEZZACHSA-N 1 2 347.462 2.068 20 5 EEBDLO CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000342573179 465330013 /nfs/dbraw/zinc/33/00/13/465330013.db2.gz SYBSRFUOYNOKPY-NXEZZACHSA-N 1 2 347.462 2.068 20 5 EEBDLO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCn3cc(C)[nH+]c32)n1 ZINC000342802002 465353198 /nfs/dbraw/zinc/35/31/98/465353198.db2.gz HFCMEWCLTLVFTQ-LLVKDONJSA-N 1 2 345.359 2.271 20 5 EEBDLO CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000353078272 465620253 /nfs/dbraw/zinc/62/02/53/465620253.db2.gz PSKQMIUJBAHFEE-CYBMUJFWSA-N 1 2 346.391 2.485 20 5 EEBDLO C[NH+](C)CC[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-] ZINC000593948560 468442721 /nfs/dbraw/zinc/44/27/21/468442721.db2.gz MYWBMTSTMXSKQQ-AWEZNQCLSA-N 1 2 347.371 2.349 20 5 EEBDLO O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)ccc1Br ZINC000366448482 465732808 /nfs/dbraw/zinc/73/28/08/465732808.db2.gz VDADOWKDQYPEMR-URLYPYJESA-N 1 2 327.178 2.027 20 5 EEBDLO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)ccc1Br ZINC000366448482 465732810 /nfs/dbraw/zinc/73/28/10/465732810.db2.gz VDADOWKDQYPEMR-URLYPYJESA-N 1 2 327.178 2.027 20 5 EEBDLO Cc1nnc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC000353582021 465993271 /nfs/dbraw/zinc/99/32/71/465993271.db2.gz OGLIEZICHZKWNN-VIFPVBQESA-N 1 2 335.389 2.352 20 5 EEBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000338335212 466037585 /nfs/dbraw/zinc/03/75/85/466037585.db2.gz XBAWCFOTBIMSNY-AWEZNQCLSA-N 1 2 328.372 2.055 20 5 EEBDLO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnnn1-c1ccccc1 ZINC000338388216 466082233 /nfs/dbraw/zinc/08/22/33/466082233.db2.gz VQHLRTKGFGDYKZ-UHFFFAOYSA-N 1 2 338.371 2.245 20 5 EEBDLO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1nnnn1-c1ccccc1 ZINC000338388216 466082240 /nfs/dbraw/zinc/08/22/40/466082240.db2.gz VQHLRTKGFGDYKZ-UHFFFAOYSA-N 1 2 338.371 2.245 20 5 EEBDLO CC(C)[C@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000331588449 466151366 /nfs/dbraw/zinc/15/13/66/466151366.db2.gz BEZJLLPWBKWUFU-HZPDHXFCSA-N 1 2 333.388 2.057 20 5 EEBDLO CC(C)[C@H]1C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000331588449 466151370 /nfs/dbraw/zinc/15/13/70/466151370.db2.gz BEZJLLPWBKWUFU-HZPDHXFCSA-N 1 2 333.388 2.057 20 5 EEBDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1F ZINC000340607028 466205748 /nfs/dbraw/zinc/20/57/48/466205748.db2.gz PVCSPEIDDLKSMR-AWEZNQCLSA-N 1 2 343.318 2.315 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000372463934 466401507 /nfs/dbraw/zinc/40/15/07/466401507.db2.gz OGZNWBLOXQJFRJ-LLVKDONJSA-N 1 2 345.359 2.358 20 5 EEBDLO CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000305449956 466407916 /nfs/dbraw/zinc/40/79/16/466407916.db2.gz RCZAHGNWWGJSBF-CYBMUJFWSA-N 1 2 341.795 2.422 20 5 EEBDLO CC(C)(O)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000305449956 466407921 /nfs/dbraw/zinc/40/79/21/466407921.db2.gz RCZAHGNWWGJSBF-CYBMUJFWSA-N 1 2 341.795 2.422 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NCCCn1cccn1 ZINC000350513328 466524268 /nfs/dbraw/zinc/52/42/68/466524268.db2.gz OQLKMBSTOWVWDW-UHFFFAOYSA-N 1 2 345.403 2.126 20 5 EEBDLO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000374499365 466653848 /nfs/dbraw/zinc/65/38/48/466653848.db2.gz AKOIFACWVGSIKT-CQSZACIVSA-N 1 2 329.360 2.484 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000374641216 466702780 /nfs/dbraw/zinc/70/27/80/466702780.db2.gz ZRNLZBNANGXMQW-LBPRGKRZSA-N 1 2 344.371 2.357 20 5 EEBDLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000377486040 467068559 /nfs/dbraw/zinc/06/85/59/467068559.db2.gz MLAUPIGPJUWZLC-UHFFFAOYSA-N 1 2 341.302 2.245 20 5 EEBDLO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413141654 467178009 /nfs/dbraw/zinc/17/80/09/467178009.db2.gz TXRSYVKQACTXOZ-JTQLQIEISA-N 1 2 347.341 2.056 20 5 EEBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000378097997 467197039 /nfs/dbraw/zinc/19/70/39/467197039.db2.gz PCTSKXLJXQOGRK-AWEZNQCLSA-N 1 2 328.372 2.402 20 5 EEBDLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000451931016 467287738 /nfs/dbraw/zinc/28/77/38/467287738.db2.gz RAIYNJVHCRFSQF-QMMMGPOBSA-N 1 2 344.418 2.221 20 5 EEBDLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000451931012 467287747 /nfs/dbraw/zinc/28/77/47/467287747.db2.gz RAIYNJVHCRFSQF-MRVPVSSYSA-N 1 2 344.418 2.221 20 5 EEBDLO C[C@@H]1CCC[C@@]1(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452162975 467335637 /nfs/dbraw/zinc/33/56/37/467335637.db2.gz MSOFVLFMAFZWIT-SJKOYZFVSA-N 1 2 344.371 2.061 20 5 EEBDLO C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000414069332 467373261 /nfs/dbraw/zinc/37/32/61/467373261.db2.gz MADHCNLIRKFKNT-TZMCWYRMSA-N 1 2 344.371 2.014 20 5 EEBDLO CC[C@@](C)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)OC ZINC000452718686 467413481 /nfs/dbraw/zinc/41/34/81/467413481.db2.gz QUYFJNIDYGEPIZ-INIZCTEOSA-N 1 2 332.360 2.325 20 5 EEBDLO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H](C)CO1 ZINC000448670326 467599346 /nfs/dbraw/zinc/59/93/46/467599346.db2.gz WUBREEUXTXVYCI-NWDGAFQWSA-N 1 2 330.344 2.030 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N1CCO[C@H]2CCC[C@H]21 ZINC000448776680 467601285 /nfs/dbraw/zinc/60/12/85/467601285.db2.gz HPSGUSMBHIKQJY-ZBFHGGJFSA-N 1 2 342.355 2.174 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000454939016 467625259 /nfs/dbraw/zinc/62/52/59/467625259.db2.gz GRHPZDZIEFVXFO-OKILXGFUSA-N 1 2 348.403 2.196 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000454939016 467625260 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345.359 2.060 20 5 EEBDLO COC(=O)C1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000154863441 533253705 /nfs/dbraw/zinc/25/37/05/533253705.db2.gz NGULZRNDIUFNHK-OAHLLOKOSA-N 1 2 336.388 2.484 20 5 EEBDLO Cc1ccc(C(=O)N2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000080479062 159142020 /nfs/dbraw/zinc/14/20/20/159142020.db2.gz HUKRSTXDLASKRF-UHFFFAOYSA-N 1 2 335.404 2.086 20 5 EEBDLO COc1ccnc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000106859902 159323290 /nfs/dbraw/zinc/32/32/90/159323290.db2.gz PHTIWGSWFSWOKH-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO COc1cc[nH+]c(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000106859902 159323292 /nfs/dbraw/zinc/32/32/92/159323292.db2.gz PHTIWGSWFSWOKH-UHFFFAOYSA-N 1 2 328.372 2.321 20 5 EEBDLO O=[N+]([O-])c1cnc(NCC2([NH+]3CCOCC3)CCCCC2)s1 ZINC000195505834 160214827 /nfs/dbraw/zinc/21/48/27/160214827.db2.gz OYZDRNGNVGUPEP-UHFFFAOYSA-N 1 2 326.422 2.498 20 5 EEBDLO Cn1cc[nH+]c1[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000341691311 161005793 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CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000368000264 166033551 /nfs/dbraw/zinc/03/35/51/166033551.db2.gz HGJPHYSPYIMOBK-UHFFFAOYSA-N 1 2 331.332 2.238 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000358762647 163978678 /nfs/dbraw/zinc/97/86/78/163978678.db2.gz HMGBKLFZHCCQBN-UHFFFAOYSA-N 1 2 340.339 2.490 20 5 EEBDLO CCOC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000359815983 164177137 /nfs/dbraw/zinc/17/71/37/164177137.db2.gz VOEPNBTVYLWJFH-GDBMZVCRSA-N 1 2 336.388 2.085 20 5 EEBDLO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)cc([N+](=O)[O-])c1 ZINC000374390885 167032441 /nfs/dbraw/zinc/03/24/41/167032441.db2.gz WOLDMQGXVTWPCT-MRXNPFEDSA-N 1 2 326.356 2.085 20 5 EEBDLO O=C(Oc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000375324145 167112349 /nfs/dbraw/zinc/11/23/49/167112349.db2.gz OMQQDMILPKEXRQ-HUUCEWRRSA-N 1 2 327.340 2.457 20 5 EEBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C2CC2)O1 ZINC000279412244 269277171 /nfs/dbraw/zinc/27/71/71/269277171.db2.gz WAXBAYVCBNWADA-MEDUHNTESA-N 1 2 334.372 2.461 20 5 EEBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C2CC2)O1 ZINC000279412244 269277172 /nfs/dbraw/zinc/27/71/72/269277172.db2.gz WAXBAYVCBNWADA-MEDUHNTESA-N 1 2 334.372 2.461 20 5 EEBDLO Cc1cc(C[NH+]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)on1 ZINC000275339383 274243057 /nfs/dbraw/zinc/24/30/57/274243057.db2.gz HHZULBVHGXBVNL-UHFFFAOYSA-N 1 2 343.387 2.181 20 5 EEBDLO CC(C)Oc1cc[nH+]cc1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000287068132 274931716 /nfs/dbraw/zinc/93/17/16/274931716.db2.gz UNWNPPBZZQENJY-UHFFFAOYSA-N 1 2 334.332 2.107 20 5 EEBDLO CC[N@@H+]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000288603504 275074890 /nfs/dbraw/zinc/07/48/90/275074890.db2.gz WORQDLGMEFJYOB-NSHDSACASA-N 1 2 327.331 2.239 20 5 EEBDLO CC[N@H+]1CCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000288603504 275074891 /nfs/dbraw/zinc/07/48/91/275074891.db2.gz WORQDLGMEFJYOB-NSHDSACASA-N 1 2 327.331 2.239 20 5 EEBDLO C[C@H](Cn1cc[nH+]c1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291600505 275321621 /nfs/dbraw/zinc/32/16/21/275321621.db2.gz IPCGFZLLPUFSDD-GFCCVEGCSA-N 1 2 331.376 2.414 20 5 EEBDLO C[C@H]1C[C@@H](CO)CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000291943431 275356377 /nfs/dbraw/zinc/35/63/77/275356377.db2.gz QAEUHNBOTVSUMG-STQMWFEESA-N 1 2 344.371 2.014 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1 ZINC000267164251 277431390 /nfs/dbraw/zinc/43/13/90/277431390.db2.gz ASGNGLJMBJHVPT-LLVKDONJSA-N 1 2 336.417 2.217 20 5 EEBDLO NC(=O)[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccn1 ZINC000297225156 294185302 /nfs/dbraw/zinc/18/53/02/294185302.db2.gz HMEXGFSUAGFKKB-HOCLYGCPSA-N 1 2 326.356 2.183 20 5 EEBDLO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000302185413 294939422 /nfs/dbraw/zinc/93/94/22/294939422.db2.gz PDALUVNACPIGPZ-CQSZACIVSA-N 1 2 343.339 2.434 20 5 EEBDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000161085793 311361853 /nfs/dbraw/zinc/36/18/53/311361853.db2.gz AVLSQCVKQUUZAA-LBPRGKRZSA-N 1 2 331.376 2.177 20 5 EEBDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000161085793 311361855 /nfs/dbraw/zinc/36/18/55/311361855.db2.gz AVLSQCVKQUUZAA-LBPRGKRZSA-N 1 2 331.376 2.177 20 5 EEBDLO CS(=O)(=O)CC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000430142682 314498750 /nfs/dbraw/zinc/49/87/50/314498750.db2.gz CMCOKIUBQBPCOZ-XQRVVYSFSA-N 1 2 338.429 2.365 20 5 EEBDLO CC[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCNC1=O ZINC000442959261 315222402 /nfs/dbraw/zinc/22/24/02/315222402.db2.gz FCDLUEHKPCPSPD-CQSZACIVSA-N 1 2 346.412 2.429 20 5 EEBDLO CC[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCNC1=O ZINC000442959261 315222403 /nfs/dbraw/zinc/22/24/03/315222403.db2.gz FCDLUEHKPCPSPD-CQSZACIVSA-N 1 2 346.412 2.429 20 5 EEBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CO)c3ccc(F)cc3)nc2c1 ZINC000444689172 315317122 /nfs/dbraw/zinc/31/71/22/315317122.db2.gz MMRRFRKPMFSJNQ-HNNXBMFYSA-N 1 2 330.319 2.433 20 5 EEBDLO CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451936097 315468649 /nfs/dbraw/zinc/46/86/49/315468649.db2.gz KISAKHIQIXCVRS-ZLKJLUDKSA-N 1 2 348.359 2.099 20 5 EEBDLO CCC[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOC1 ZINC000451936634 315469384 /nfs/dbraw/zinc/46/93/84/315469384.db2.gz SVRIIXIZAZZDGU-QGZVFWFLSA-N 1 2 344.371 2.470 20 5 EEBDLO COC(=O)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000536698305 318008339 /nfs/dbraw/zinc/00/83/39/318008339.db2.gz WEVIGSVGASSWNG-XQRVVYSFSA-N 1 2 334.372 2.262 20 5 EEBDLO COC(=O)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000536698305 318008341 /nfs/dbraw/zinc/00/83/41/318008341.db2.gz WEVIGSVGASSWNG-XQRVVYSFSA-N 1 2 334.372 2.262 20 5 EEBDLO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000566291566 319270175 /nfs/dbraw/zinc/27/01/75/319270175.db2.gz ICLVEYXXGRDBGF-CQSZACIVSA-N 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330.323 2.402 20 5 EEBDLO CCN(C[C@H]1CCOC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000149183806 463405633 /nfs/dbraw/zinc/40/56/33/463405633.db2.gz KYUMNOWIVCBCJD-CYBMUJFWSA-N 1 2 344.371 2.279 20 5 EEBDLO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCc1cn2c([nH+]1)CCCC2 ZINC000073745241 463651140 /nfs/dbraw/zinc/65/11/40/463651140.db2.gz MGKOUCHDJGUIOT-RMKNXTFCSA-N 1 2 340.383 2.500 20 5 EEBDLO CC(C)[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1[nH]cc[nH+]1 ZINC000276697627 463722296 /nfs/dbraw/zinc/72/22/96/463722296.db2.gz QSKSNIUSIUUDTL-GFCCVEGCSA-N 1 2 328.332 2.321 20 5 EEBDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185118507 463754702 /nfs/dbraw/zinc/75/47/02/463754702.db2.gz JDBVBVGJLRGEIV-BGJPBQGDSA-N 1 2 337.401 2.449 20 5 EEBDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000185118507 463754705 /nfs/dbraw/zinc/75/47/05/463754705.db2.gz JDBVBVGJLRGEIV-BGJPBQGDSA-N 1 2 337.401 2.449 20 5 EEBDLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185150047 463762791 /nfs/dbraw/zinc/76/27/91/463762791.db2.gz ZUPYCMNNHYZEDO-LLVKDONJSA-N 1 2 341.408 2.379 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000178206306 463860371 /nfs/dbraw/zinc/86/03/71/463860371.db2.gz FSVUDEATPTZAHN-UHFFFAOYSA-N 1 2 328.372 2.326 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@@H+]2CCS[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000171702004 463909489 /nfs/dbraw/zinc/90/94/89/463909489.db2.gz UFVWKNQBXRGSMZ-LLVKDONJSA-N 1 2 339.417 2.369 20 5 EEBDLO CCOc1ccc(NC(=O)C[N@H+]2CCS[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000171702004 463909494 /nfs/dbraw/zinc/90/94/94/463909494.db2.gz UFVWKNQBXRGSMZ-LLVKDONJSA-N 1 2 339.417 2.369 20 5 EEBDLO Cc1cc(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000279376590 464094613 /nfs/dbraw/zinc/09/46/13/464094613.db2.gz TXFWHEKRSLDANV-UHFFFAOYSA-N 1 2 335.404 2.086 20 5 EEBDLO Cc1cc(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000279376590 464094619 /nfs/dbraw/zinc/09/46/19/464094619.db2.gz TXFWHEKRSLDANV-UHFFFAOYSA-N 1 2 335.404 2.086 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000172613484 464118309 /nfs/dbraw/zinc/11/83/09/464118309.db2.gz NHTMPWWLBMSXQY-LLVKDONJSA-N 1 2 327.344 2.497 20 5 EEBDLO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(Cl)nc3)CC2)nc1 ZINC000263698244 464158460 /nfs/dbraw/zinc/15/84/60/464158460.db2.gz KZXRCJDZZBDENI-UHFFFAOYSA-N 1 2 333.779 2.360 20 5 EEBDLO C[C@H]1C[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000271553076 464329868 /nfs/dbraw/zinc/32/98/68/464329868.db2.gz PIANJVMABFKUKZ-QWHCGFSZSA-N 1 2 344.371 2.325 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000264615963 464395427 /nfs/dbraw/zinc/39/54/27/464395427.db2.gz PHALPNSNFMUYIW-WCQYABFASA-N 1 2 334.294 2.491 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000264615963 464395433 /nfs/dbraw/zinc/39/54/33/464395433.db2.gz PHALPNSNFMUYIW-WCQYABFASA-N 1 2 334.294 2.491 20 5 EEBDLO O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000265538016 464595712 /nfs/dbraw/zinc/59/57/12/464595712.db2.gz OLNUYLKHQPDGNQ-UHFFFAOYSA-N 1 2 333.779 2.360 20 5 EEBDLO CCc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285898166 464735974 /nfs/dbraw/zinc/73/59/74/464735974.db2.gz RTJZWMDSMDYLNP-CZUORRHYSA-N 1 2 347.415 2.092 20 5 EEBDLO C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](CO)O1 ZINC000249510551 464881779 /nfs/dbraw/zinc/88/17/79/464881779.db2.gz ZUHMVRYXDIQEDJ-JSGCOSHPSA-N 1 2 332.356 2.436 20 5 EEBDLO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](CO)O1 ZINC000249510551 464881784 /nfs/dbraw/zinc/88/17/84/464881784.db2.gz ZUHMVRYXDIQEDJ-JSGCOSHPSA-N 1 2 332.356 2.436 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000184451127 464977299 /nfs/dbraw/zinc/97/72/99/464977299.db2.gz UIGLQWYAVHTRBI-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO O=[N+]([O-])c1cc(C[NH2+][C@H](CCO)c2ccco2)c2c(c1)COCO2 ZINC000184508106 464987140 /nfs/dbraw/zinc/98/71/40/464987140.db2.gz RELRYQAZGXNVKU-CQSZACIVSA-N 1 2 334.328 2.268 20 5 EEBDLO CC(C)(CO)C(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000359501290 465416776 /nfs/dbraw/zinc/41/67/76/465416776.db2.gz RRFZSLPSBNBDKA-UHFFFAOYSA-N 1 2 346.387 2.307 20 5 EEBDLO COc1cc[nH+]cc1CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000348401067 465583546 /nfs/dbraw/zinc/58/35/46/465583546.db2.gz MICPXLSSKAOBEG-UHFFFAOYSA-N 1 2 326.312 2.410 20 5 EEBDLO Cc1cc[nH+]c(C)c1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000362401983 465708805 /nfs/dbraw/zinc/70/88/05/465708805.db2.gz KWKSRYUBSXBEJJ-UHFFFAOYSA-N 1 2 349.368 2.262 20 5 EEBDLO Cc1nnc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000353639490 466033610 /nfs/dbraw/zinc/03/36/10/466033610.db2.gz TUGSSDXIGSNGTG-SECBINFHSA-N 1 2 335.389 2.352 20 5 EEBDLO O=C(N[C@H]1CCO[C@H]1C1CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000340666761 466250411 /nfs/dbraw/zinc/25/04/11/466250411.db2.gz QYZGYKLTXWBIDJ-BBRMVZONSA-N 1 2 342.355 2.078 20 5 EEBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000353917954 466255896 /nfs/dbraw/zinc/25/58/96/466255896.db2.gz WFOWWDFZAMTCLE-HWKANZROSA-N 1 2 327.388 2.149 20 5 EEBDLO O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340706820 466280048 /nfs/dbraw/zinc/28/00/48/466280048.db2.gz IAMXRSKYXXNCEH-UHFFFAOYSA-N 1 2 325.328 2.098 20 5 EEBDLO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000373430035 466801273 /nfs/dbraw/zinc/80/12/73/466801273.db2.gz FLBDZWXBHLSAMZ-LBPRGKRZSA-N 1 2 344.371 2.357 20 5 EEBDLO C[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)c1ccc([N+](=O)[O-])cc1F ZINC000427990271 467191714 /nfs/dbraw/zinc/19/17/14/467191714.db2.gz IDGXTBAMPKGWQJ-GHMZBOCLSA-N 1 2 332.335 2.165 20 5 EEBDLO Cc1ccc(CCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])[nH+]c1 ZINC000413349745 467222469 /nfs/dbraw/zinc/22/24/69/467222469.db2.gz HGVCCTQVKJNTHJ-UHFFFAOYSA-N 1 2 335.385 2.356 20 5 EEBDLO CCCc1n[nH]c(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)c1[N+](=O)[O-] ZINC000378244541 467240650 /nfs/dbraw/zinc/24/06/50/467240650.db2.gz QDYHFGNUAHLUHL-LLVKDONJSA-N 1 2 346.391 2.083 20 5 EEBDLO COC[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000456952371 467720892 /nfs/dbraw/zinc/72/08/92/467720892.db2.gz YSISJTMYRUHBIJ-CQSZACIVSA-N 1 2 344.371 2.422 20 5 EEBDLO C[C@H]1OCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000450141308 467786238 /nfs/dbraw/zinc/78/62/38/467786238.db2.gz IPUNNNVRJOUNLX-VXGBXAGGSA-N 1 2 330.344 2.030 20 5 EEBDLO C[C@@H]1C[C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2[nH+]ccn21 ZINC000450829313 467916451 /nfs/dbraw/zinc/91/64/51/467916451.db2.gz MCCNBSMAFLYKAN-BXKDBHETSA-N 1 2 336.373 2.313 20 5 EEBDLO CCc1cc(NC[C@H](O)C(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000487681216 468049383 /nfs/dbraw/zinc/04/93/83/468049383.db2.gz XVUPSBBEQUEBMN-LBPRGKRZSA-N 1 2 338.314 2.074 20 5 EEBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1nc([C@@H]2CCCO2)n[nH]1 ZINC000594514411 468613327 /nfs/dbraw/zinc/61/33/27/468613327.db2.gz XDPKHZKVKZKOTB-JSGCOSHPSA-N 1 2 329.360 2.342 20 5 EEBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000595028586 468746020 /nfs/dbraw/zinc/74/60/20/468746020.db2.gz VFCSSDRKIICPLC-LLVKDONJSA-N 1 2 331.376 2.310 20 5 EEBDLO C[C@H]1SCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000592733185 468771663 /nfs/dbraw/zinc/77/16/63/468771663.db2.gz DOMXCXUHQXMPDO-PWSUYJOCSA-N 1 2 332.385 2.404 20 5 EEBDLO Nc1cccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000595506043 468880715 /nfs/dbraw/zinc/88/07/15/468880715.db2.gz YPQFEFILLBRSHN-UHFFFAOYSA-N 1 2 340.383 2.135 20 5 EEBDLO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC000598946211 469060549 /nfs/dbraw/zinc/06/05/49/469060549.db2.gz FPFPZLZBHFWGMD-SNVBAGLBSA-N 1 2 332.385 2.258 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000602798413 469084930 /nfs/dbraw/zinc/08/49/30/469084930.db2.gz KJRARCYSKXUBPH-UHFFFAOYSA-N 1 2 326.397 2.152 20 5 EEBDLO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000602798413 469084935 /nfs/dbraw/zinc/08/49/35/469084935.db2.gz KJRARCYSKXUBPH-UHFFFAOYSA-N 1 2 326.397 2.152 20 5 EEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2Cc3ccc(O)cc3C2)c1 ZINC000599539072 469286617 /nfs/dbraw/zinc/28/66/17/469286617.db2.gz VGIWEQYFOMVODS-INIZCTEOSA-N 1 2 330.340 2.056 20 5 EEBDLO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2Cc3ccc(O)cc3C2)c1 ZINC000599539072 469286621 /nfs/dbraw/zinc/28/66/21/469286621.db2.gz VGIWEQYFOMVODS-INIZCTEOSA-N 1 2 330.340 2.056 20 5 EEBDLO Cc1ccc(NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000596626700 469315602 /nfs/dbraw/zinc/31/56/02/469315602.db2.gz PAJNHSHZDFVPBE-QWHCGFSZSA-N 1 2 336.392 2.134 20 5 EEBDLO Cc1ccc(NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000596626700 469315603 /nfs/dbraw/zinc/31/56/03/469315603.db2.gz PAJNHSHZDFVPBE-QWHCGFSZSA-N 1 2 336.392 2.134 20 5 EEBDLO Cc1cc(NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596821394 469369425 /nfs/dbraw/zinc/36/94/25/469369425.db2.gz UZTUOTHHLWGWMW-STQMWFEESA-N 1 2 336.392 2.134 20 5 EEBDLO Cc1cc(NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596821394 469369432 /nfs/dbraw/zinc/36/94/32/469369432.db2.gz UZTUOTHHLWGWMW-STQMWFEESA-N 1 2 336.392 2.134 20 5 EEBDLO COc1ccc[nH+]c1NC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602578537 469369933 /nfs/dbraw/zinc/36/99/33/469369933.db2.gz NJIUQYNFDSPNPS-UHFFFAOYSA-N 1 2 329.360 2.474 20 5 EEBDLO Cc1nc(C[N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cs1 ZINC000609257601 469905974 /nfs/dbraw/zinc/90/59/74/469905974.db2.gz FKXIVGFTCFURJB-UHFFFAOYSA-N 1 2 349.416 2.036 20 5 EEBDLO Cc1nc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cs1 ZINC000609257601 469905979 /nfs/dbraw/zinc/90/59/79/469905979.db2.gz FKXIVGFTCFURJB-UHFFFAOYSA-N 1 2 349.416 2.036 20 5 EEBDLO COc1cccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000618205650 469922843 /nfs/dbraw/zinc/92/28/43/469922843.db2.gz IJCXWBJHYLIVHJ-LBPRGKRZSA-N 1 2 330.344 2.277 20 5 EEBDLO CCOc1cc(C[N@@H+]2CCN3C(=O)OCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000496232794 535671592 /nfs/dbraw/zinc/67/15/92/535671592.db2.gz IPNZLQKBQPEERU-CYBMUJFWSA-N 1 2 335.360 2.020 20 5 EEBDLO CCOc1cc(C[N@H+]2CCN3C(=O)OCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000496232794 535671602 /nfs/dbraw/zinc/67/16/02/535671602.db2.gz IPNZLQKBQPEERU-CYBMUJFWSA-N 1 2 335.360 2.020 20 5 EEBDLO Cc1cccn2cc(COC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[nH+]c12 ZINC000728341936 576493183 /nfs/dbraw/zinc/49/31/83/576493183.db2.gz KVTPRRCMGUUKJR-UHFFFAOYSA-N 1 2 343.343 2.226 20 5 EEBDLO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH]1 ZINC000774911788 577423111 /nfs/dbraw/zinc/42/31/11/577423111.db2.gz KCLZLDAIGFWOQT-GFCCVEGCSA-N 1 2 346.347 2.309 20 5 EEBDLO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)[nH]1 ZINC000774911788 577423112 /nfs/dbraw/zinc/42/31/12/577423112.db2.gz KCLZLDAIGFWOQT-GFCCVEGCSA-N 1 2 346.347 2.309 20 5 EEBDLO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000774911788 577423113 /nfs/dbraw/zinc/42/31/13/577423113.db2.gz KCLZLDAIGFWOQT-GFCCVEGCSA-N 1 2 346.347 2.309 20 5 EEBDLO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000774911788 577423114 /nfs/dbraw/zinc/42/31/14/577423114.db2.gz KCLZLDAIGFWOQT-GFCCVEGCSA-N 1 2 346.347 2.309 20 5 EEBDLO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n[nH]1 ZINC000774911788 577423115 /nfs/dbraw/zinc/42/31/15/577423115.db2.gz KCLZLDAIGFWOQT-GFCCVEGCSA-N 1 2 346.347 2.309 20 5 EEBDLO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n[nH]1 ZINC000774911788 577423116 /nfs/dbraw/zinc/42/31/16/577423116.db2.gz KCLZLDAIGFWOQT-GFCCVEGCSA-N 1 2 346.347 2.309 20 5 EEBDLO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000761046721 577674727 /nfs/dbraw/zinc/67/47/27/577674727.db2.gz 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C[C@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@]2(CCCOC2)O1 ZINC000794903578 1201451810 /nfs/dbraw/zinc/45/18/10/1201451810.db2.gz UWFYAUODYKYSJL-GUYCJALGSA-N 1 2 346.387 2.172 20 5 EEBDLO C[C@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@]2(CCCOC2)O1 ZINC000794903578 1201451812 /nfs/dbraw/zinc/45/18/12/1201451812.db2.gz UWFYAUODYKYSJL-GUYCJALGSA-N 1 2 346.387 2.172 20 5 EEBDLO C[C@H](C(=O)OCC[N@@H+]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000800200155 1202219623 /nfs/dbraw/zinc/21/96/23/1202219623.db2.gz KCWZEUDNUDHFKH-NEPJUHHUSA-N 1 2 340.351 2.101 20 5 EEBDLO C[C@H](C(=O)OCC[N@H+]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000800200155 1202219624 /nfs/dbraw/zinc/21/96/24/1202219624.db2.gz KCWZEUDNUDHFKH-NEPJUHHUSA-N 1 2 340.351 2.101 20 5 EEBDLO CC(C)=CC(=O)NCC[NH+]1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001096264415 1236814541 /nfs/dbraw/zinc/81/45/41/1236814541.db2.gz XSVGYFKWGWLPHO-UHFFFAOYSA-N 1 2 346.431 2.108 20 5 EEBDLO O=C(Cn1cc[nH+]c1)N1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 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SRLAYRYTEOGEMI-MEDUHNTESA-N 1 2 340.351 2.122 20 5 EEBDLO CCC[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOC1 ZINC000287818141 274996190 /nfs/dbraw/zinc/99/61/90/274996190.db2.gz KPLUIZPJTGEROO-KRWDZBQOSA-N 1 2 344.371 2.470 20 5 EEBDLO C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000288790125 275085594 /nfs/dbraw/zinc/08/55/94/275085594.db2.gz YSINTOZXZRMWFV-CXAGYDPISA-N 1 2 347.415 2.273 20 5 EEBDLO C[C@@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000288790125 275085595 /nfs/dbraw/zinc/08/55/95/275085595.db2.gz YSINTOZXZRMWFV-CXAGYDPISA-N 1 2 347.415 2.273 20 5 EEBDLO C[C@@H]1CCC[N@H+](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000129133030 533690280 /nfs/dbraw/zinc/69/02/80/533690280.db2.gz DNSJDVYMXOFZMH-SNVBAGLBSA-N 1 2 347.462 2.204 20 5 EEBDLO C[C@@H]1CCC[N@@H+](CCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000129133030 533690292 /nfs/dbraw/zinc/69/02/92/533690292.db2.gz DNSJDVYMXOFZMH-SNVBAGLBSA-N 1 2 347.462 2.204 20 5 EEBDLO Cc1nc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000296658312 294032704 /nfs/dbraw/zinc/03/27/04/294032704.db2.gz YCWXPLPPTMXWBL-MRXNPFEDSA-N 1 2 343.387 2.179 20 5 EEBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000441317722 315180624 /nfs/dbraw/zinc/18/06/24/315180624.db2.gz LRAVGGIAVRMZDD-CQSZACIVSA-N 1 2 329.404 2.207 20 5 EEBDLO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000441317722 315180627 /nfs/dbraw/zinc/18/06/27/315180627.db2.gz LRAVGGIAVRMZDD-CQSZACIVSA-N 1 2 329.404 2.207 20 5 EEBDLO O=C(NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCc2c[nH+]cn2C1 ZINC000515302476 316477888 /nfs/dbraw/zinc/47/78/88/316477888.db2.gz WCWAALZXEQPFAC-LLVKDONJSA-N 1 2 334.763 2.324 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000538070191 318031971 /nfs/dbraw/zinc/03/19/71/318031971.db2.gz FDZXZTAGDHEUGE-UHFFFAOYSA-N 1 2 325.328 2.049 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](c2[nH+]ccn2C)C1 ZINC000574819386 320060016 /nfs/dbraw/zinc/06/00/16/320060016.db2.gz BVKXNOZCICNLFV-ZDUSSCGKSA-N 1 2 343.387 2.065 20 5 EEBDLO C[N@@H+]1CCO[C@@H](CSc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000580188843 324012099 /nfs/dbraw/zinc/01/20/99/324012099.db2.gz WFNZVUMBGQRWLJ-MRVPVSSYSA-N 1 2 337.323 2.431 20 5 EEBDLO C[N@H+]1CCO[C@@H](CSc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000580188843 324012103 /nfs/dbraw/zinc/01/21/03/324012103.db2.gz WFNZVUMBGQRWLJ-MRVPVSSYSA-N 1 2 337.323 2.431 20 5 EEBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000339066036 465062530 /nfs/dbraw/zinc/06/25/30/465062530.db2.gz DSRBDFQCFOTSHV-JTQLQIEISA-N 1 2 343.339 2.482 20 5 EEBDLO C[C@H](C[C@@H]1CCOC1)NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000590677154 468302369 /nfs/dbraw/zinc/30/23/69/468302369.db2.gz VGGDSCIVKBMKMJ-OLZOCXBDSA-N 1 2 344.371 2.325 20 5 EEBDLO NC(=O)[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883971 462732766 /nfs/dbraw/zinc/73/27/66/462732766.db2.gz SXIHPANATJHPJF-CQSZACIVSA-N 1 2 330.344 2.090 20 5 EEBDLO NC(=O)[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883971 462732773 /nfs/dbraw/zinc/73/27/73/462732773.db2.gz SXIHPANATJHPJF-CQSZACIVSA-N 1 2 330.344 2.090 20 5 EEBDLO Cc1cc([N+](=O)[O-])cnc1NCc1ccc[nH+]c1N1CCOCC1 ZINC000076665515 462892817 /nfs/dbraw/zinc/89/28/17/462892817.db2.gz SGFKHKVSIPZZJA-UHFFFAOYSA-N 1 2 329.360 2.142 20 5 EEBDLO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000155733516 462935610 /nfs/dbraw/zinc/93/56/10/462935610.db2.gz KXXCBCNOAWXAQA-GFCCVEGCSA-N 1 2 344.371 2.457 20 5 EEBDLO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000155733516 462935614 /nfs/dbraw/zinc/93/56/14/462935614.db2.gz KXXCBCNOAWXAQA-GFCCVEGCSA-N 1 2 344.371 2.457 20 5 EEBDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000016564634 462982076 /nfs/dbraw/zinc/98/20/76/462982076.db2.gz QECFPMXFAUJGAO-AWEZNQCLSA-N 1 2 346.431 2.164 20 5 EEBDLO Cc1ccnc(NC(=O)C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000069012607 463198981 /nfs/dbraw/zinc/19/89/81/463198981.db2.gz MQWQTPIUVDLVQB-UHFFFAOYSA-N 1 2 344.371 2.248 20 5 EEBDLO Cc1ccnc(NC(=O)C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000069012607 463198988 /nfs/dbraw/zinc/19/89/88/463198988.db2.gz MQWQTPIUVDLVQB-UHFFFAOYSA-N 1 2 344.371 2.248 20 5 EEBDLO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cn2ccccc2[nH+]1 ZINC000054645611 463251204 /nfs/dbraw/zinc/25/12/04/463251204.db2.gz RZBZIMXZNRYENE-UHFFFAOYSA-N 1 2 339.355 2.284 20 5 EEBDLO CC(C)(CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000070696653 463380510 /nfs/dbraw/zinc/38/05/10/463380510.db2.gz XFEVKUNEKXTTJE-UHFFFAOYSA-N 1 2 341.795 2.089 20 5 EEBDLO Cc1cc(NC[C@H]2COCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000057827786 463522340 /nfs/dbraw/zinc/52/23/40/463522340.db2.gz NCOJKYJFJPVQKA-AWEZNQCLSA-N 1 2 330.344 2.188 20 5 EEBDLO CCN(C)C(=O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000185174367 463769620 /nfs/dbraw/zinc/76/96/20/463769620.db2.gz RBUYNLIGSWQJEZ-UHFFFAOYSA-N 1 2 334.401 2.286 20 5 EEBDLO CCOc1cc(C[N@H+](CC)[C@H](C)CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276876595 463791461 /nfs/dbraw/zinc/79/14/61/463791461.db2.gz IGWWTBMHSWXMQV-GFCCVEGCSA-N 1 2 344.433 2.249 20 5 EEBDLO CCOc1cc(C[N@@H+](CC)[C@H](C)CS(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000276876595 463791462 /nfs/dbraw/zinc/79/14/62/463791462.db2.gz IGWWTBMHSWXMQV-GFCCVEGCSA-N 1 2 344.433 2.249 20 5 EEBDLO CCOC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283460610 463892974 /nfs/dbraw/zinc/89/29/74/463892974.db2.gz HXKKHEMBPOOPQD-UHFFFAOYSA-N 1 2 325.340 2.398 20 5 EEBDLO CCOC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283460610 463892981 /nfs/dbraw/zinc/89/29/81/463892981.db2.gz HXKKHEMBPOOPQD-UHFFFAOYSA-N 1 2 325.340 2.398 20 5 EEBDLO C[C@H](Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000272073422 464468233 /nfs/dbraw/zinc/46/82/33/464468233.db2.gz VLZMRVGZRKYFDG-AWEZNQCLSA-N 1 2 345.403 2.297 20 5 EEBDLO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(F)c1 ZINC000184606496 465006676 /nfs/dbraw/zinc/00/66/76/465006676.db2.gz LODJTAHPLYHHJL-OAHLLOKOSA-N 1 2 347.346 2.472 20 5 EEBDLO Cc1cc(N[C@H]2C=C[C@@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000339686250 465442940 /nfs/dbraw/zinc/44/29/40/465442940.db2.gz ABAMYNAGWFMTKC-OCCSQVGLSA-N 1 2 326.356 2.131 20 5 EEBDLO CC(C)N1CCC[C@@H]([N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000352622013 465543236 /nfs/dbraw/zinc/54/32/36/465543236.db2.gz WDIVDSGPNQQCMI-OAHLLOKOSA-N 1 2 333.388 2.189 20 5 EEBDLO CC(C)N1CCC[C@@H]([N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)C1=O ZINC000352622013 465543240 /nfs/dbraw/zinc/54/32/40/465543240.db2.gz WDIVDSGPNQQCMI-OAHLLOKOSA-N 1 2 333.388 2.189 20 5 EEBDLO CNc1c(C(=O)NCc2ccn3cc[nH+]c3c2)cccc1[N+](=O)[O-] ZINC000360945608 465653814 /nfs/dbraw/zinc/65/38/14/465653814.db2.gz SBVQZMFWKGDHDL-UHFFFAOYSA-N 1 2 325.328 2.214 20 5 EEBDLO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000344592809 465704034 /nfs/dbraw/zinc/70/40/34/465704034.db2.gz BUGUJCVSILOQEW-AWEZNQCLSA-N 1 2 345.403 2.321 20 5 EEBDLO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000344592809 465704045 /nfs/dbraw/zinc/70/40/45/465704045.db2.gz BUGUJCVSILOQEW-AWEZNQCLSA-N 1 2 345.403 2.321 20 5 EEBDLO Cn1c(C(=O)NCc2ccccc2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000338227206 465919256 /nfs/dbraw/zinc/91/92/56/465919256.db2.gz IWTFLWAUSUKYNX-UHFFFAOYSA-N 1 2 339.355 2.108 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347345844 466582100 /nfs/dbraw/zinc/58/21/00/466582100.db2.gz QDQZKENJINOEPY-CHWSQXEVSA-N 1 2 348.428 2.329 20 5 EEBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347345844 466582107 /nfs/dbraw/zinc/58/21/07/466582107.db2.gz QDQZKENJINOEPY-CHWSQXEVSA-N 1 2 348.428 2.329 20 5 EEBDLO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1F ZINC000412393632 467079060 /nfs/dbraw/zinc/07/90/60/467079060.db2.gz DMOVALZFFCQANX-GXSJLCMTSA-N 1 2 348.334 2.304 20 5 EEBDLO NC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000377584658 467091718 /nfs/dbraw/zinc/09/17/18/467091718.db2.gz TXGYCJHMBJGULR-KRWDZBQOSA-N 1 2 341.367 2.058 20 5 EEBDLO NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000377584658 467091721 /nfs/dbraw/zinc/09/17/21/467091721.db2.gz TXGYCJHMBJGULR-KRWDZBQOSA-N 1 2 341.367 2.058 20 5 EEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000378097998 467197026 /nfs/dbraw/zinc/19/70/26/467197026.db2.gz PCTSKXLJXQOGRK-CQSZACIVSA-N 1 2 328.372 2.402 20 5 EEBDLO COC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452036332 467310098 /nfs/dbraw/zinc/31/00/98/467310098.db2.gz IRJXWSQGIGPMFB-LBPRGKRZSA-N 1 2 337.376 2.043 20 5 EEBDLO COC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000452036332 467310100 /nfs/dbraw/zinc/31/01/00/467310100.db2.gz IRJXWSQGIGPMFB-LBPRGKRZSA-N 1 2 337.376 2.043 20 5 EEBDLO CC[C@H]([NH2+]Cc1nnnn1C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000433235694 467311201 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Cc1noc(C[N@@H+](Cc2ccccc2)[C@@]2(CO)CCOC2)c1[N+](=O)[O-] ZINC000599395697 469242510 /nfs/dbraw/zinc/24/25/10/469242510.db2.gz ISECNONRFGWQKN-QGZVFWFLSA-N 1 2 347.371 2.045 20 5 EEBDLO O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3cn[nH]c3)CC2)c(Cl)c1 ZINC000599439263 469256946 /nfs/dbraw/zinc/25/69/46/469256946.db2.gz MQPZDCFYMSLSEB-UHFFFAOYSA-N 1 2 335.795 2.289 20 5 EEBDLO C[C@@H]1C[N@H+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)CO1 ZINC000596432724 469264615 /nfs/dbraw/zinc/26/46/15/469264615.db2.gz SEDCGBGLANYVPD-VXGBXAGGSA-N 1 2 348.403 2.001 20 5 EEBDLO C[C@@H]1C[N@@H+](CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)[C@H](C)CO1 ZINC000596432724 469264618 /nfs/dbraw/zinc/26/46/18/469264618.db2.gz SEDCGBGLANYVPD-VXGBXAGGSA-N 1 2 348.403 2.001 20 5 EEBDLO COc1cnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1 ZINC000339219103 490745215 /nfs/dbraw/zinc/74/52/15/490745215.db2.gz ICVIVUOJIJKDOF-UHFFFAOYSA-N 1 2 345.340 2.498 20 5 EEBDLO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000191380452 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CC(C)(C)OC(=O)N[C@@H]1C[N@H+](CC[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000930338410 1206550535 /nfs/dbraw/zinc/55/05/35/1206550535.db2.gz ZMNURYPXIIWPIV-LSDHHAIUSA-N 1 2 335.404 2.256 20 5 EEBDLO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](CC[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000930338410 1206550536 /nfs/dbraw/zinc/55/05/36/1206550536.db2.gz ZMNURYPXIIWPIV-LSDHHAIUSA-N 1 2 335.404 2.256 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(NC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001057342086 1243368229 /nfs/dbraw/zinc/36/82/29/1243368229.db2.gz XHADFXPSQMFWKT-UHFFFAOYSA-N 1 2 343.387 2.203 20 5 EEBDLO Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001097203483 1243819153 /nfs/dbraw/zinc/81/91/53/1243819153.db2.gz MFWBMYHNGXFFAK-OKILXGFUSA-N 1 2 343.387 2.020 20 5 EEBDLO C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000856792258 1293633716 /nfs/dbraw/zinc/63/37/16/1293633716.db2.gz MCTMFXPJKXOGPE-WDEREUQCSA-N 1 2 341.795 2.137 20 5 EEBDLO 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780441832 /nfs/dbraw/zinc/44/18/32/780441832.db2.gz BHMMUEOAYZQTSS-AAEUAGOBSA-N 1 2 326.299 2.007 20 5 EEBDLO O=C(CCCn1cc[nH+]c1)NCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001110167125 797169701 /nfs/dbraw/zinc/16/97/01/797169701.db2.gz KPLITGNPQMRRLQ-UHFFFAOYSA-N 1 2 343.387 2.332 20 5 EEBDLO Cn1c[nH+]cc1CCC(=O)NCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC001110205715 798887859 /nfs/dbraw/zinc/88/78/59/798887859.db2.gz CASVCQYLZQZFHW-UHFFFAOYSA-N 1 2 343.387 2.022 20 5 EEBDLO COC(=O)[C@@H]1C[C@@H](Nc2cc(OC(C)C)c([N+](=O)[O-])cc2C)C[NH2+]1 ZINC001169135403 803629399 /nfs/dbraw/zinc/62/93/99/803629399.db2.gz MVAZAKNVDOSMLT-YPMHNXCESA-N 1 2 337.376 2.006 20 5 EEBDLO Cc1cccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)c1[N+](=O)[O-] ZINC000054723338 214252734 /nfs/dbraw/zinc/25/27/34/214252734.db2.gz LOGHUJIHYKSQNF-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO CO[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000187830105 236310994 /nfs/dbraw/zinc/31/09/94/236310994.db2.gz WHWWYYFMHGNSAR-MLGOLLRUSA-N 1 2 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C[C@H]1CN(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@H](C)O1 ZINC000153325791 224088511 /nfs/dbraw/zinc/08/85/11/224088511.db2.gz ALXLEAUSSLHYEK-KBPBESRZSA-N 1 2 347.415 2.195 20 5 EEBDLO C[C@H]1CN(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@H](C)O1 ZINC000153325791 224088513 /nfs/dbraw/zinc/08/85/13/224088513.db2.gz ALXLEAUSSLHYEK-KBPBESRZSA-N 1 2 347.415 2.195 20 5 EEBDLO CCN1CCN(c2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1=O ZINC000273274684 256282695 /nfs/dbraw/zinc/28/26/95/256282695.db2.gz IEOQKMTYRPLJAU-UHFFFAOYSA-N 1 2 341.371 2.029 20 5 EEBDLO O=C(NC1CC1)N[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000274186128 256362247 /nfs/dbraw/zinc/36/22/47/256362247.db2.gz JMYQFKNAKRVVNJ-CYBMUJFWSA-N 1 2 338.795 2.284 20 5 EEBDLO O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000274186128 256362248 /nfs/dbraw/zinc/36/22/48/256362248.db2.gz JMYQFKNAKRVVNJ-CYBMUJFWSA-N 1 2 338.795 2.284 20 5 EEBDLO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(Cc2ccccc2)no1 ZINC000131000244 292381309 /nfs/dbraw/zinc/38/13/09/292381309.db2.gz SZJOJNOQIBQONG-GFCCVEGCSA-N 1 2 342.359 2.116 20 5 EEBDLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188330680 160121719 /nfs/dbraw/zinc/12/17/19/160121719.db2.gz BWWFVYKBBPESIU-UHFFFAOYSA-N 1 2 325.284 2.338 20 5 EEBDLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000341720850 161008476 /nfs/dbraw/zinc/00/84/76/161008476.db2.gz QRHYYDQBAYQEPC-OAHLLOKOSA-N 1 2 332.335 2.277 20 5 EEBDLO CN(c1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000343260158 161117732 /nfs/dbraw/zinc/11/77/32/161117732.db2.gz AKGABXICGRENPI-HNNXBMFYSA-N 1 2 335.404 2.042 20 5 EEBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346001368 161348966 /nfs/dbraw/zinc/34/89/66/161348966.db2.gz APDSGCMUVIJZRF-AWEZNQCLSA-N 1 2 343.339 2.049 20 5 EEBDLO CC[C@H](C(=O)OC)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000352670838 162238847 /nfs/dbraw/zinc/23/88/47/162238847.db2.gz 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O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCn2c[nH+]cc2C1 ZINC000291076185 275267741 /nfs/dbraw/zinc/26/77/41/275267741.db2.gz JJGOFEFRKLOKFX-UHFFFAOYSA-N 1 2 341.371 2.048 20 5 EEBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC(F)(F)[C@@H](CO)C3)nc2c1 ZINC000291385393 275300242 /nfs/dbraw/zinc/30/02/42/275300242.db2.gz BBFFSTFMYZKQIA-SECBINFHSA-N 1 2 327.287 2.186 20 5 EEBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC(F)(F)[C@@H](CO)C3)nc2c1 ZINC000291385393 275300243 /nfs/dbraw/zinc/30/02/43/275300243.db2.gz BBFFSTFMYZKQIA-SECBINFHSA-N 1 2 327.287 2.186 20 5 EEBDLO CCN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1c1[nH]cc[nH+]1 ZINC000359993788 276388788 /nfs/dbraw/zinc/38/87/88/276388788.db2.gz OMJYOALQNCMHAL-LBPRGKRZSA-N 1 2 336.783 2.250 20 5 EEBDLO CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(O)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000339203811 278070246 /nfs/dbraw/zinc/07/02/46/278070246.db2.gz KLLJUNMPZWJPAA-VBNZEHGJSA-N 1 2 333.388 2.037 20 5 EEBDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093416815 280001917 /nfs/dbraw/zinc/00/19/17/280001917.db2.gz ZBCWIXRQRKHZGE-XOVSCCBYSA-N 1 2 326.418 2.363 20 5 EEBDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093416815 280001920 /nfs/dbraw/zinc/00/19/20/280001920.db2.gz ZBCWIXRQRKHZGE-XOVSCCBYSA-N 1 2 326.418 2.363 20 5 EEBDLO CC(C)[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1[nH]cc[nH+]1 ZINC000283036025 292885340 /nfs/dbraw/zinc/88/53/40/292885340.db2.gz PABCITLFLYNWSD-GFCCVEGCSA-N 1 2 332.316 2.174 20 5 EEBDLO COc1cccc(C(=O)NCc2cn3ccccc3[nH+]2)c1[N+](=O)[O-] ZINC000443932077 315265137 /nfs/dbraw/zinc/26/51/37/315265137.db2.gz XSTCWPREPZWOOQ-UHFFFAOYSA-N 1 2 326.312 2.181 20 5 EEBDLO COCCO[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444682608 315316767 /nfs/dbraw/zinc/31/67/67/315316767.db2.gz UWULAABWAUMHOO-ZDUSSCGKSA-N 1 2 334.376 2.099 20 5 EEBDLO COCCO[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444682608 315316770 /nfs/dbraw/zinc/31/67/70/315316770.db2.gz UWULAABWAUMHOO-ZDUSSCGKSA-N 1 2 334.376 2.099 20 5 EEBDLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000515785713 316517043 /nfs/dbraw/zinc/51/70/43/316517043.db2.gz AXNYGZNKFCRODG-CQSZACIVSA-N 1 2 325.328 2.176 20 5 EEBDLO Cn1c2ccccc2[nH+]c1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000536502088 317997194 /nfs/dbraw/zinc/99/71/94/317997194.db2.gz LTJBYXZEGFTCHU-UHFFFAOYSA-N 1 2 338.371 2.203 20 5 EEBDLO O=C(Nc1c[nH+]c2n1CCCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000571973081 319802721 /nfs/dbraw/zinc/80/27/21/319802721.db2.gz PCQUZOAXWZIYRC-UHFFFAOYSA-N 1 2 330.300 2.109 20 5 EEBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)Oc1ccc2c(c1)[nH+]c(C)n2C ZINC000295993968 465045089 /nfs/dbraw/zinc/04/50/89/465045089.db2.gz DYAAWUZXLXJISQ-UHFFFAOYSA-N 1 2 343.343 2.291 20 5 EEBDLO C[NH+]1CCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)CC1 ZINC000351512709 465194471 /nfs/dbraw/zinc/19/44/71/465194471.db2.gz IBDCUVLBAYVAMX-UHFFFAOYSA-N 1 2 339.370 2.208 20 5 EEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000087025767 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1318730472 /nfs/dbraw/zinc/73/04/72/1318730472.db2.gz NKUKEZGOHYWHCT-GFCCVEGCSA-N 1 2 336.392 2.052 20 5 EEBDLO CC(C)Oc1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)ccc1[N+](=O)[O-] ZINC001157585798 1318730481 /nfs/dbraw/zinc/73/04/81/1318730481.db2.gz NKUKEZGOHYWHCT-GFCCVEGCSA-N 1 2 336.392 2.052 20 5 EEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001308077510 1331562955 /nfs/dbraw/zinc/56/29/55/1331562955.db2.gz LUELWKRJMYZCEU-NEPJUHHUSA-N 1 2 343.387 2.339 20 5 EEBDLO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001308077510 1331562958 /nfs/dbraw/zinc/56/29/58/1331562958.db2.gz LUELWKRJMYZCEU-NEPJUHHUSA-N 1 2 343.387 2.339 20 5 EEBDLO O=C(C[NH+]1CCC(c2ncccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001308090549 1331563489 /nfs/dbraw/zinc/56/34/89/1331563489.db2.gz KGKYLELLZVDPPV-UHFFFAOYSA-N 1 2 341.371 2.203 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N(C)CCN(C)C(=O)CCc2[nH]cc[nH+]2)c1 ZINC001105394819 781815216 /nfs/dbraw/zinc/81/52/16/781815216.db2.gz OZBFYEZGDGZROI-UHFFFAOYSA-N 1 2 345.403 2.154 20 5 EEBDLO CCC(CC)NC(=O)[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000030545286 794339697 /nfs/dbraw/zinc/33/96/97/794339697.db2.gz DBYZVRGKICEJTM-AWEZNQCLSA-N 1 2 348.447 2.410 20 5 EEBDLO CCOC(=O)[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168981286 803545553 /nfs/dbraw/zinc/54/55/53/803545553.db2.gz HCSQMPZNTKANMD-IMJJTQAJSA-N 1 2 338.379 2.335 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000179510158 233121597 /nfs/dbraw/zinc/12/15/97/233121597.db2.gz YZHLHFAGFYNIDM-UHFFFAOYSA-N 1 2 349.431 2.361 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000179510158 233121604 /nfs/dbraw/zinc/12/16/04/233121604.db2.gz YZHLHFAGFYNIDM-UHFFFAOYSA-N 1 2 349.431 2.361 20 5 EEBDLO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000421894467 240045739 /nfs/dbraw/zinc/04/57/39/240045739.db2.gz UJDOAHDJNQRUAY-MRXNPFEDSA-N 1 2 340.383 2.393 20 5 EEBDLO Cc1c(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000451657914 243194456 /nfs/dbraw/zinc/19/44/56/243194456.db2.gz LOJCUGZDQAZNCF-CQSZACIVSA-N 1 2 326.418 2.302 20 5 EEBDLO Cc1c(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000451657914 243194462 /nfs/dbraw/zinc/19/44/62/243194462.db2.gz LOJCUGZDQAZNCF-CQSZACIVSA-N 1 2 326.418 2.302 20 5 EEBDLO CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000456366985 244232467 /nfs/dbraw/zinc/23/24/67/244232467.db2.gz CARYPIQPEBCZDS-JTQLQIEISA-N 1 2 346.343 2.073 20 5 EEBDLO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152838712 224019307 /nfs/dbraw/zinc/01/93/07/224019307.db2.gz UYHVEQZUWOSNCN-HNNXBMFYSA-N 1 2 340.383 2.318 20 5 EEBDLO CO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000267867064 256092683 /nfs/dbraw/zinc/09/26/83/256092683.db2.gz YZHOLUGKWWBBRD-KOLCDFICSA-N 1 2 327.768 2.296 20 5 EEBDLO CO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000267867064 256092684 /nfs/dbraw/zinc/09/26/84/256092684.db2.gz YZHOLUGKWWBBRD-KOLCDFICSA-N 1 2 327.768 2.296 20 5 EEBDLO C[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000270760571 256168804 /nfs/dbraw/zinc/16/88/04/256168804.db2.gz QGQSMYVHKYNERD-SMDDNHRTSA-N 1 2 347.337 2.197 20 5 EEBDLO C[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000270760571 256168805 /nfs/dbraw/zinc/16/88/05/256168805.db2.gz QGQSMYVHKYNERD-SMDDNHRTSA-N 1 2 347.337 2.197 20 5 EEBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000184693994 160014946 /nfs/dbraw/zinc/01/49/46/160014946.db2.gz IPPNNVQYOOPAPG-GOEBONIOSA-N 1 2 349.431 2.000 20 5 EEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000248456291 160347356 /nfs/dbraw/zinc/34/73/56/160347356.db2.gz LMSCMZSFEAXERQ-SUMWQHHRSA-N 1 2 348.355 2.001 20 5 EEBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000248456291 160347358 /nfs/dbraw/zinc/34/73/58/160347358.db2.gz 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CC[C@H]1C[N@@H+](CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000347620861 161468192 /nfs/dbraw/zinc/46/81/92/161468192.db2.gz CQXVQPQYTXNVKU-INIZCTEOSA-N 1 2 349.431 2.099 20 5 EEBDLO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000355172486 163101579 /nfs/dbraw/zinc/10/15/79/163101579.db2.gz OIEGSVLDDISFEV-WBMJQRKESA-N 1 2 332.356 2.436 20 5 EEBDLO C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000355172486 163101582 /nfs/dbraw/zinc/10/15/82/163101582.db2.gz OIEGSVLDDISFEV-WBMJQRKESA-N 1 2 332.356 2.436 20 5 EEBDLO Cc1nn(CCc2nc(Cc3ccc(C)[nH+]c3)no2)c(C)c1[N+](=O)[O-] ZINC000356176536 163358174 /nfs/dbraw/zinc/35/81/74/163358174.db2.gz SHQUXVXNWNIFBH-UHFFFAOYSA-N 1 2 342.359 2.328 20 5 EEBDLO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000364283643 165081685 /nfs/dbraw/zinc/08/16/85/165081685.db2.gz PZFBVXAHLOITDY-CYBMUJFWSA-N 1 2 326.356 2.251 20 5 EEBDLO Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 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COc1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c([N+](=O)[O-])cc1OC ZINC000291320963 275293934 /nfs/dbraw/zinc/29/39/34/275293934.db2.gz SRXXFEYPQJMAAI-NSHDSACASA-N 1 2 346.330 2.062 20 5 EEBDLO Cc1cc(N(C)Cc2nncn2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000291771436 275338701 /nfs/dbraw/zinc/33/87/01/275338701.db2.gz BTWYPTYBYVETMZ-UHFFFAOYSA-N 1 2 339.359 2.125 20 5 EEBDLO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000371995070 279951615 /nfs/dbraw/zinc/95/16/15/279951615.db2.gz ZQSXSLDABSAFIL-STQMWFEESA-N 1 2 339.417 2.030 20 5 EEBDLO CC(=O)c1cc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)ccc1[N+](=O)[O-] ZINC000287342372 293050104 /nfs/dbraw/zinc/05/01/04/293050104.db2.gz OXHAMGCOFCAVFZ-NSHDSACASA-N 1 2 348.428 2.411 20 5 EEBDLO C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284196965 311469942 /nfs/dbraw/zinc/46/99/42/311469942.db2.gz YOQVJMCNZNMOET-SNVBAGLBSA-N 1 2 342.783 2.090 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(O)(C(F)F)CC1 ZINC000331118892 311818278 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O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CO)c3ccc(F)cc3)nc2c1 ZINC000444689173 315317000 /nfs/dbraw/zinc/31/70/00/315317000.db2.gz MMRRFRKPMFSJNQ-OAHLLOKOSA-N 1 2 330.319 2.433 20 5 EEBDLO C[C@@H]1CC[N@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C(=O)OC(C)(C)C ZINC000564916408 319127162 /nfs/dbraw/zinc/12/71/62/319127162.db2.gz NBPBPTOCDOJDML-VXGBXAGGSA-N 1 2 338.408 2.128 20 5 EEBDLO C[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C(=O)OC(C)(C)C ZINC000564916408 319127164 /nfs/dbraw/zinc/12/71/64/319127164.db2.gz NBPBPTOCDOJDML-VXGBXAGGSA-N 1 2 338.408 2.128 20 5 EEBDLO COc1ccc(CC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000568598263 319501720 /nfs/dbraw/zinc/50/17/20/319501720.db2.gz YXUYWSVMKYFNJB-CMPLNLGQSA-N 1 2 330.344 2.165 20 5 EEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000339127062 465098783 /nfs/dbraw/zinc/09/87/83/465098783.db2.gz AUJDYEHSWNHLOU-RNCFNFMXSA-N 1 2 334.294 2.436 20 5 EEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000339127062 465098786 /nfs/dbraw/zinc/09/87/86/465098786.db2.gz AUJDYEHSWNHLOU-RNCFNFMXSA-N 1 2 334.294 2.436 20 5 EEBDLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047911109 462835911 /nfs/dbraw/zinc/83/59/11/462835911.db2.gz UXCFEQVQBQJRIS-OAHLLOKOSA-N 1 2 346.431 2.118 20 5 EEBDLO Cc1cc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000051476875 463038331 /nfs/dbraw/zinc/03/83/31/463038331.db2.gz CIVHLEKFWDWAAO-UHFFFAOYSA-N 1 2 346.431 2.038 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000030030545 463285784 /nfs/dbraw/zinc/28/57/84/463285784.db2.gz AZTPJQITQZDFKR-MRXNPFEDSA-N 1 2 328.372 2.062 20 5 EEBDLO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000030030545 463285788 /nfs/dbraw/zinc/28/57/88/463285788.db2.gz AZTPJQITQZDFKR-MRXNPFEDSA-N 1 2 328.372 2.062 20 5 EEBDLO COc1cccc([C@H](Nc2c([N+](=O)[O-])ncn2C)c2[nH+]ccn2C)c1 ZINC000138464497 463308930 /nfs/dbraw/zinc/30/89/30/463308930.db2.gz AYLKUERHXREMJA-ZDUSSCGKSA-N 1 2 342.359 2.272 20 5 EEBDLO CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030912526 463316860 /nfs/dbraw/zinc/31/68/60/463316860.db2.gz PUKHXWSTGUMUMM-GJZGRUSLSA-N 1 2 348.447 2.410 20 5 EEBDLO CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000030912522 463317460 /nfs/dbraw/zinc/31/74/60/463317460.db2.gz PUKHXWSTGUMUMM-LSDHHAIUSA-N 1 2 348.447 2.410 20 5 EEBDLO COC(=O)[C@@](C)([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000081152877 463398971 /nfs/dbraw/zinc/39/89/71/463398971.db2.gz QKZKFCWGXCRIHI-KRWDZBQOSA-N 1 2 349.387 2.163 20 5 EEBDLO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000033237225 463419192 /nfs/dbraw/zinc/41/91/92/463419192.db2.gz MQUOCCVRPLCZEY-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161367431 463425348 /nfs/dbraw/zinc/42/53/48/463425348.db2.gz PEASHGINWLFRDY-KIUWMYQTSA-N 1 2 338.367 2.398 20 5 EEBDLO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CO)CC1 ZINC000071955894 463478628 /nfs/dbraw/zinc/47/86/28/463478628.db2.gz SANBVSPYHRJUQV-JTQLQIEISA-N 1 2 341.795 2.280 20 5 EEBDLO O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc2[nH+]ccn2c1 ZINC000057778713 463518339 /nfs/dbraw/zinc/51/83/39/463518339.db2.gz XLTAQTDSHKTNPJ-UHFFFAOYSA-N 1 2 325.328 2.084 20 5 EEBDLO Cn1cc[nH+]c1CNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269304613 463947252 /nfs/dbraw/zinc/94/72/52/463947252.db2.gz YXLLVLNVOBOLCK-UHFFFAOYSA-N 1 2 329.360 2.203 20 5 EEBDLO NC(=O)C1CC[NH+](c2ccc(Nc3ncc([N+](=O)[O-])s3)cc2)CC1 ZINC000195511985 464062277 /nfs/dbraw/zinc/06/22/77/464062277.db2.gz JRJKUELJZSJLJF-UHFFFAOYSA-N 1 2 347.400 2.497 20 5 EEBDLO CC[C@H](C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000179850170 464198265 /nfs/dbraw/zinc/19/82/65/464198265.db2.gz JHBQASOPIUBYCC-AAEUAGOBSA-N 1 2 326.397 2.137 20 5 EEBDLO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc(-c2cccs2)no1 ZINC000285178838 464478173 /nfs/dbraw/zinc/47/81/73/464478173.db2.gz BOMSVLKEYWSSLI-UHFFFAOYSA-N 1 2 334.361 2.035 20 5 EEBDLO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc(-c2cccs2)no1 ZINC000285178838 464478182 /nfs/dbraw/zinc/47/81/82/464478182.db2.gz BOMSVLKEYWSSLI-UHFFFAOYSA-N 1 2 334.361 2.035 20 5 EEBDLO C[C@H](O)[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000272302400 464555990 /nfs/dbraw/zinc/55/59/90/464555990.db2.gz WYLHUMFOJBGQQE-JSGCOSHPSA-N 1 2 344.371 2.156 20 5 EEBDLO Cc1noc([C@@H]2C[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCN2C)n1 ZINC000285614735 464629730 /nfs/dbraw/zinc/62/97/30/464629730.db2.gz VNKYWXATZOFBDG-HNNXBMFYSA-N 1 2 331.376 2.083 20 5 EEBDLO Cc1noc([C@@H]2C[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)CCN2C)n1 ZINC000285614735 464629731 /nfs/dbraw/zinc/62/97/31/464629731.db2.gz VNKYWXATZOFBDG-HNNXBMFYSA-N 1 2 331.376 2.083 20 5 EEBDLO COC(=O)[C@H](c1cccnc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282388217 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VDMQTCFAYDFWNS-HOTGVXAUSA-N 1 2 330.388 2.432 20 5 EEBDLO CC(C)(C)[C@@H]1C[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000331606595 466160578 /nfs/dbraw/zinc/16/05/78/466160578.db2.gz DPBPEXXBVFCVCG-HOTGVXAUSA-N 1 2 347.415 2.447 20 5 EEBDLO CC(C)(C)[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000331606595 466160583 /nfs/dbraw/zinc/16/05/83/466160583.db2.gz DPBPEXXBVFCVCG-HOTGVXAUSA-N 1 2 347.415 2.447 20 5 EEBDLO O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340586562 466187250 /nfs/dbraw/zinc/18/72/50/466187250.db2.gz QWRDURIZSJSLFC-UHFFFAOYSA-N 1 2 325.328 2.098 20 5 EEBDLO CC(C)c1n[nH]c(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000331773239 466239820 /nfs/dbraw/zinc/23/98/20/466239820.db2.gz GAZGXGSUACTACD-NEPJUHHUSA-N 1 2 346.391 2.361 20 5 EEBDLO CC(C)c1[nH]nc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1[N+](=O)[O-] ZINC000331773239 466239826 /nfs/dbraw/zinc/23/98/26/466239826.db2.gz GAZGXGSUACTACD-NEPJUHHUSA-N 1 2 346.391 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O=C(c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)N(CCCCO)C1CC1 ZINC000450219233 467801060 /nfs/dbraw/zinc/80/10/60/467801060.db2.gz XGQKZZXWXBIFSF-UHFFFAOYSA-N 1 2 344.371 2.158 20 5 EEBDLO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2cscn2)CC1 ZINC000450559502 467870048 /nfs/dbraw/zinc/87/00/48/467870048.db2.gz FRDIBZMDURCUMI-UHFFFAOYSA-N 1 2 346.412 2.052 20 5 EEBDLO COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488989735 468115480 /nfs/dbraw/zinc/11/54/80/468115480.db2.gz XRJUCHLZVIMALF-MRXNPFEDSA-N 1 2 344.371 2.343 20 5 EEBDLO NC(=O)C1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)c[nH+]2)CC1 ZINC000600787299 468657271 /nfs/dbraw/zinc/65/72/71/468657271.db2.gz ZCFNRNHMXSBHFZ-UHFFFAOYSA-N 1 2 326.356 2.359 20 5 EEBDLO NC(=O)[C@@H]1CCCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)c[nH+]2)C1 ZINC000600786777 468657763 /nfs/dbraw/zinc/65/77/63/468657763.db2.gz SPTAXUZDNCUVOY-CQSZACIVSA-N 1 2 326.356 2.359 20 5 EEBDLO COC(=O)c1cc(-c2ccc(N[C@@H](C)CO)[nH+]c2)cc([N+](=O)[O-])c1 ZINC000600787573 468658269 /nfs/dbraw/zinc/65/82/69/468658269.db2.gz BCCFZMXPFIOEGE-JTQLQIEISA-N 1 2 331.328 2.236 20 5 EEBDLO Cc1cc(C(=O)N[C@@H](c2[nH+]ccn2C)C(C)(C)CO)cc([N+](=O)[O-])c1 ZINC000597848491 468692598 /nfs/dbraw/zinc/69/25/98/468692598.db2.gz VRVJNDONVCTUJT-AWEZNQCLSA-N 1 2 346.387 2.126 20 5 EEBDLO CCOc1cccc(C[N@H+](CCO)Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595522526 468887683 /nfs/dbraw/zinc/88/76/83/468887683.db2.gz LLSFMEDRTOISBG-UHFFFAOYSA-N 1 2 335.360 2.284 20 5 EEBDLO CCOc1cccc(C[N@@H+](CCO)Cc2onc(C)c2[N+](=O)[O-])c1 ZINC000595522526 468887689 /nfs/dbraw/zinc/88/76/89/468887689.db2.gz LLSFMEDRTOISBG-UHFFFAOYSA-N 1 2 335.360 2.284 20 5 EEBDLO CN(Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595586444 468912859 /nfs/dbraw/zinc/91/28/59/468912859.db2.gz XQUGKRYWNXWCRJ-UHFFFAOYSA-N 1 2 337.767 2.355 20 5 EEBDLO CN(Cc1c[nH]c[nH+]1)C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595586444 468912865 /nfs/dbraw/zinc/91/28/65/468912865.db2.gz XQUGKRYWNXWCRJ-UHFFFAOYSA-N 1 2 337.767 2.355 20 5 EEBDLO Cn1ccnc1[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc([N+](=O)[O-])c1 ZINC000593717242 469106773 /nfs/dbraw/zinc/10/67/73/469106773.db2.gz WRNRHXHEAPWEDJ-WCVJEAGWSA-N 1 2 328.372 2.327 20 5 EEBDLO Cc1c(CC(=O)N2CC(Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000610969968 469126561 /nfs/dbraw/zinc/12/65/61/469126561.db2.gz HBLMTEULACAYHS-UHFFFAOYSA-N 1 2 327.340 2.131 20 5 EEBDLO Nc1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)nc1[N+](=O)[O-] ZINC000596191283 469194597 /nfs/dbraw/zinc/19/45/97/469194597.db2.gz NKLWTWIREKCIQB-UHFFFAOYSA-N 1 2 330.392 2.465 20 5 EEBDLO CC[N@H+](Cc1cnn(C)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611264828 469212802 /nfs/dbraw/zinc/21/28/02/469212802.db2.gz URNGHYZJNMCSEW-UHFFFAOYSA-N 1 2 332.360 2.122 20 5 EEBDLO CC[N@@H+](Cc1cnn(C)c1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611264828 469212807 /nfs/dbraw/zinc/21/28/07/469212807.db2.gz URNGHYZJNMCSEW-UHFFFAOYSA-N 1 2 332.360 2.122 20 5 EEBDLO COc1ccc(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000609025043 469888270 /nfs/dbraw/zinc/88/82/70/469888270.db2.gz DQYIZQSBWGSFPF-CYBMUJFWSA-N 1 2 344.371 2.275 20 5 EEBDLO CC(C)(CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000174997103 527164525 /nfs/dbraw/zinc/16/45/25/527164525.db2.gz FYYVMMBHCBIRED-UHFFFAOYSA-N 1 2 341.795 2.089 20 5 EEBDLO CC(C)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC[NH+](C)CC1 ZINC000183614057 527907018 /nfs/dbraw/zinc/90/70/18/527907018.db2.gz YCWJDXMJZGIUPB-UHFFFAOYSA-N 1 2 335.404 2.493 20 5 EEBDLO CCNC(=O)[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264982296 535405185 /nfs/dbraw/zinc/40/51/85/535405185.db2.gz UXSNPFZHRGCSDF-JTQLQIEISA-N 1 2 334.401 2.333 20 5 EEBDLO CC[C@H](C)[C@H](O)CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000447818842 536000953 /nfs/dbraw/zinc/00/09/53/536000953.db2.gz ZDHNVZIWPRZBCE-SUMWQHHRSA-N 1 2 337.420 2.246 20 5 EEBDLO Cc1nn(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000776766907 577467517 /nfs/dbraw/zinc/46/75/17/577467517.db2.gz MXBOXAVDXHIFNA-MRXNPFEDSA-N 1 2 334.351 2.098 20 5 EEBDLO Cc1nn(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000776766907 577467518 /nfs/dbraw/zinc/46/75/18/577467518.db2.gz MXBOXAVDXHIFNA-MRXNPFEDSA-N 1 2 334.351 2.098 20 5 EEBDLO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000771185251 577611391 /nfs/dbraw/zinc/61/13/91/577611391.db2.gz DWMKKOZDTZBGCV-JTQLQIEISA-N 1 2 328.752 2.126 20 5 EEBDLO O=C(C[N@@H+]1CC[C@@H](C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000761050257 577674841 /nfs/dbraw/zinc/67/48/41/577674841.db2.gz RXWKVMABWSLIPG-LLVKDONJSA-N 1 2 343.305 2.368 20 5 EEBDLO O=C(C[N@H+]1CC[C@@H](C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000761050257 577674842 /nfs/dbraw/zinc/67/48/42/577674842.db2.gz RXWKVMABWSLIPG-LLVKDONJSA-N 1 2 343.305 2.368 20 5 EEBDLO O=C(NCc1[nH]cc[nH+]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755008372 577818141 /nfs/dbraw/zinc/81/81/41/577818141.db2.gz MJAKEWWINNWGOL-UHFFFAOYSA-N 1 2 343.112 2.150 20 5 EEBDLO C[N@@H+]1CCCC[C@@H]1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000745082983 577908203 /nfs/dbraw/zinc/90/82/03/577908203.db2.gz SSUACKDTWNKEQS-CYBMUJFWSA-N 1 2 346.343 2.172 20 5 EEBDLO C[N@H+]1CCCC[C@@H]1C(=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000745082983 577908204 /nfs/dbraw/zinc/90/82/04/577908204.db2.gz SSUACKDTWNKEQS-CYBMUJFWSA-N 1 2 346.343 2.172 20 5 EEBDLO Cc1coc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4csc([N+](=O)[O-])c4)C[C@H]32)c1 ZINC001025960073 683688373 /nfs/dbraw/zinc/68/83/73/683688373.db2.gz QCXWPUIOMGBHMI-JYAVWHMHSA-N 1 2 347.396 2.418 20 5 EEBDLO Cc1coc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4csc([N+](=O)[O-])c4)C[C@H]32)c1 ZINC001025960073 683688377 /nfs/dbraw/zinc/68/83/77/683688377.db2.gz QCXWPUIOMGBHMI-JYAVWHMHSA-N 1 2 347.396 2.418 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000874386046 1198880826 /nfs/dbraw/zinc/88/08/26/1198880826.db2.gz SAJAPBDYCWMOJT-ZIAGYGMSSA-N 1 2 335.404 2.051 20 5 EEBDLO CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000874708110 1198957779 /nfs/dbraw/zinc/95/77/79/1198957779.db2.gz RUYKDBJQAOSAQD-LBPRGKRZSA-N 1 2 341.795 2.089 20 5 EEBDLO CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000874708110 1198957782 /nfs/dbraw/zinc/95/77/82/1198957782.db2.gz RUYKDBJQAOSAQD-LBPRGKRZSA-N 1 2 341.795 2.089 20 5 EEBDLO C[C@@H]1C[N@H+](CCOC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000800192318 1202218956 /nfs/dbraw/zinc/21/89/56/1202218956.db2.gz XZALHKMTDSHHNN-GFCCVEGCSA-N 1 2 345.355 2.021 20 5 EEBDLO C[C@@H]1C[N@@H+](CCOC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000800192318 1202218958 /nfs/dbraw/zinc/21/89/58/1202218958.db2.gz XZALHKMTDSHHNN-GFCCVEGCSA-N 1 2 345.355 2.021 20 5 EEBDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886305843 1202490588 /nfs/dbraw/zinc/49/05/88/1202490588.db2.gz RPOPJHDYTNJAFU-YPMHNXCESA-N 1 2 336.392 2.477 20 5 EEBDLO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886305843 1202490589 /nfs/dbraw/zinc/49/05/89/1202490589.db2.gz RPOPJHDYTNJAFU-YPMHNXCESA-N 1 2 336.392 2.477 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000929119190 1206448943 /nfs/dbraw/zinc/44/89/43/1206448943.db2.gz BYTBTJUAWOPOSH-CYBMUJFWSA-N 1 2 336.392 2.088 20 5 EEBDLO CN(C(=O)C[NH+]1CCC(c2ncco2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000931447806 1207383886 /nfs/dbraw/zinc/38/38/86/1207383886.db2.gz XQHHKMVYOMVZRN-UHFFFAOYSA-N 1 2 344.371 2.425 20 5 EEBDLO CCC(C)(C)C(=O)NCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001096304679 1237255427 /nfs/dbraw/zinc/25/54/27/1237255427.db2.gz RCNMAFWXYKBIKE-UHFFFAOYSA-N 1 2 348.447 2.269 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCN(C)C(=O)C(C)C)CC2)c1 ZINC001102414921 1301007405 /nfs/dbraw/zinc/00/74/05/1301007405.db2.gz HNHUFVJYOKJQQU-UHFFFAOYSA-N 1 2 348.447 2.140 20 5 EEBDLO O=[N+]([O-])c1cnn(C[NH+]2CCC3(CC2)OCCc2ccccc23)c1 ZINC000840154924 1315311511 /nfs/dbraw/zinc/31/15/11/1315311511.db2.gz YPABBTLTQODYJB-UHFFFAOYSA-N 1 2 328.372 2.313 20 5 EEBDLO Cc1nn(C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000840159067 1315312658 /nfs/dbraw/zinc/31/26/58/1315312658.db2.gz FHDXLVWTRNVXPQ-INIZCTEOSA-N 1 2 338.408 2.419 20 5 EEBDLO Cc1nn(C[N@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000840159067 1315312663 /nfs/dbraw/zinc/31/26/63/1315312663.db2.gz FHDXLVWTRNVXPQ-INIZCTEOSA-N 1 2 338.408 2.419 20 5 EEBDLO COc1cc(C(=O)OCC2CN(c3cccc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000842890881 1315793218 /nfs/dbraw/zinc/79/32/18/1315793218.db2.gz VGJJOXKTWANUGA-UHFFFAOYSA-N 1 2 343.339 2.292 20 5 EEBDLO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NC[C@H]1C[N@H+](C)CCO1 ZINC001162689752 1320931411 /nfs/dbraw/zinc/93/14/11/1320931411.db2.gz OAMWVXAYIARBBL-JTQLQIEISA-N 1 2 329.784 2.308 20 5 EEBDLO COc1c([N+](=O)[O-])cc(Cl)c(C)c1NC[C@H]1C[N@@H+](C)CCO1 ZINC001162689752 1320931414 /nfs/dbraw/zinc/93/14/14/1320931414.db2.gz OAMWVXAYIARBBL-JTQLQIEISA-N 1 2 329.784 2.308 20 5 EEBDLO O=[N+]([O-])c1cc(C(F)(F)N2CC[NH2+]CC(F)(F)C2)cnc1Cl ZINC001164489067 1321394659 /nfs/dbraw/zinc/39/46/59/1321394659.db2.gz ZBRUEAITWRWGGP-UHFFFAOYSA-N 1 2 342.680 2.233 20 5 EEBDLO Cc1nocc1C(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000981862313 778409478 /nfs/dbraw/zinc/40/94/78/778409478.db2.gz FDANLHXYMSPEBM-UHFFFAOYSA-N 1 2 344.371 2.239 20 5 EEBDLO Cc1nocc1C(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000981862313 778409482 /nfs/dbraw/zinc/40/94/82/778409482.db2.gz FDANLHXYMSPEBM-UHFFFAOYSA-N 1 2 344.371 2.239 20 5 EEBDLO Cc1cc(N[C@H]2C[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)ccc1[N+](=O)[O-] ZINC001091411244 790633133 /nfs/dbraw/zinc/63/31/33/790633133.db2.gz WQJMYIGFNBHRKJ-XBXGTLAGSA-N 1 2 343.387 2.176 20 5 EEBDLO Cc1cc(NC/C=C/CNC(=O)CCc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC001107173860 786221366 /nfs/dbraw/zinc/22/13/66/786221366.db2.gz SHMFEDBDTZOOIM-NSCUHMNNSA-N 1 2 343.387 2.343 20 5 EEBDLO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3Cc4ccccc4C[NH2+]3)n2)n1C ZINC000823094926 787540854 /nfs/dbraw/zinc/54/08/54/787540854.db2.gz VGZKUEWBFJMCBR-GFCCVEGCSA-N 1 2 340.343 2.074 20 5 EEBDLO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)CCc1c[nH]c[nH+]1 ZINC001109652777 805829152 /nfs/dbraw/zinc/82/91/52/805829152.db2.gz ASUCWLLWSGNOGI-UHFFFAOYSA-N 1 2 331.376 2.211 20 5 EEBDLO CN(CCCNc1ccccc1[N+](=O)[O-])C(=O)CCc1c[nH+]c[nH]1 ZINC001109652777 805829163 /nfs/dbraw/zinc/82/91/63/805829163.db2.gz ASUCWLLWSGNOGI-UHFFFAOYSA-N 1 2 331.376 2.211 20 5 EEBDLO COC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975254 803558312 /nfs/dbraw/zinc/55/83/12/803558312.db2.gz VKVZNDWGWZHJPY-VHDGCEQUSA-N 1 2 340.807 2.459 20 5 EEBDLO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000804327739 803775803 /nfs/dbraw/zinc/77/58/03/803775803.db2.gz WIWHLLXKYVHUFM-OAHLLOKOSA-N 1 2 333.388 2.098 20 5 EEBDLO Cc1[nH+]c[nH]c1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790840357 808931290 /nfs/dbraw/zinc/93/12/90/808931290.db2.gz XUODUODLWDWZNS-UHFFFAOYSA-N 1 2 326.715 2.278 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000067141286 215116832 /nfs/dbraw/zinc/11/68/32/215116832.db2.gz BZBQYIXGQITJPI-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO C[C@H]([C@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000104593252 219396982 /nfs/dbraw/zinc/39/69/82/219396982.db2.gz XJCUBAADOCEHJU-WDEREUQCSA-N 1 2 341.795 2.087 20 5 EEBDLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181796165 234325808 /nfs/dbraw/zinc/32/58/08/234325808.db2.gz XSIWKIXHOFHVAA-HNNXBMFYSA-N 1 2 334.397 2.470 20 5 EEBDLO C[C@H]1C[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CCO1 ZINC000447808206 242319575 /nfs/dbraw/zinc/31/95/75/242319575.db2.gz UJMGEZDAFGTDLU-DZGCQCFKSA-N 1 2 335.404 2.406 20 5 EEBDLO O=[N+]([O-])c1ccc(C[NH+]2CCOCC2)cc1NC[C@H]1CCC[C@@H](O)C1 ZINC000447806790 242320495 /nfs/dbraw/zinc/32/04/95/242320495.db2.gz OCBLHIGTOWNFRU-GOEBONIOSA-N 1 2 349.431 2.390 20 5 EEBDLO C[C@H]1C[C@@H](CO)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452136679 243349827 /nfs/dbraw/zinc/34/98/27/243349827.db2.gz 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Cc1c(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cccc1[N+](=O)[O-] ZINC000276354680 256424857 /nfs/dbraw/zinc/42/48/57/256424857.db2.gz RKKQLPVGBKRXPO-MLGOLLRUSA-N 1 2 344.371 2.287 20 5 EEBDLO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1[nH+]ccn1C(F)F ZINC000130516905 292374538 /nfs/dbraw/zinc/37/45/38/292374538.db2.gz JNESSOCHKRTJFO-UHFFFAOYSA-N 1 2 337.242 2.051 20 5 EEBDLO COc1cc(C[N@@H+]2CCOC3(CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000184238774 160004468 /nfs/dbraw/zinc/00/44/68/160004468.db2.gz DEFFJHSIMREBJL-UHFFFAOYSA-N 1 2 340.351 2.124 20 5 EEBDLO COc1cc(C[N@H+]2CCOC3(CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000184238774 160004471 /nfs/dbraw/zinc/00/44/71/160004471.db2.gz DEFFJHSIMREBJL-UHFFFAOYSA-N 1 2 340.351 2.124 20 5 EEBDLO Cn1c[nH+]cc1CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000355276083 163130622 /nfs/dbraw/zinc/13/06/22/163130622.db2.gz ZPNLWVHONDMJNY-UHFFFAOYSA-N 1 2 343.368 2.382 20 5 EEBDLO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363922202 164985353 /nfs/dbraw/zinc/98/53/53/164985353.db2.gz NSCXXGWEQCTHDH-HNNXBMFYSA-N 1 2 343.387 2.412 20 5 EEBDLO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363922202 164985356 /nfs/dbraw/zinc/98/53/56/164985356.db2.gz NSCXXGWEQCTHDH-HNNXBMFYSA-N 1 2 343.387 2.412 20 5 EEBDLO NC(=O)[C@H]1c2ccccc2CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000369097085 166188650 /nfs/dbraw/zinc/18/86/50/166188650.db2.gz XRBBQWFZFIDAOD-QGZVFWFLSA-N 1 2 341.367 2.058 20 5 EEBDLO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000369097085 166188653 /nfs/dbraw/zinc/18/86/53/166188653.db2.gz XRBBQWFZFIDAOD-QGZVFWFLSA-N 1 2 341.367 2.058 20 5 EEBDLO COc1ccc(C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000375946403 167232597 /nfs/dbraw/zinc/23/25/97/167232597.db2.gz IVGUZNQBTBKWMD-UHFFFAOYSA-N 1 2 344.371 2.408 20 5 EEBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C2CC2)O1 ZINC000279412243 269277416 /nfs/dbraw/zinc/27/74/16/269277416.db2.gz WAXBAYVCBNWADA-BZNIZROVSA-N 1 2 334.372 2.461 20 5 EEBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C2CC2)O1 ZINC000279412243 269277417 /nfs/dbraw/zinc/27/74/17/269277417.db2.gz WAXBAYVCBNWADA-BZNIZROVSA-N 1 2 334.372 2.461 20 5 EEBDLO C[C@H](C[NH+]1CCOCC1)N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000279816725 269308588 /nfs/dbraw/zinc/30/85/88/269308588.db2.gz YEPQKPGSDBTDFM-GFCCVEGCSA-N 1 2 327.812 2.401 20 5 EEBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000278536121 274367959 /nfs/dbraw/zinc/36/79/59/274367959.db2.gz FLZKIKTXOZBTSL-KRWDZBQOSA-N 1 2 347.415 2.054 20 5 EEBDLO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000278536121 274367961 /nfs/dbraw/zinc/36/79/61/274367961.db2.gz FLZKIKTXOZBTSL-KRWDZBQOSA-N 1 2 347.415 2.054 20 5 EEBDLO Nc1ccc(N2CCC[N@H+](Cc3cscn3)CC2)c([N+](=O)[O-])c1 ZINC000288082403 275021806 /nfs/dbraw/zinc/02/18/06/275021806.db2.gz VXSKGLVOYRALNX-UHFFFAOYSA-N 1 2 333.417 2.346 20 5 EEBDLO Nc1ccc(N2CCC[N@@H+](Cc3cscn3)CC2)c([N+](=O)[O-])c1 ZINC000288082403 275021808 /nfs/dbraw/zinc/02/18/08/275021808.db2.gz VXSKGLVOYRALNX-UHFFFAOYSA-N 1 2 333.417 2.346 20 5 EEBDLO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000288910124 275090959 /nfs/dbraw/zinc/09/09/59/275090959.db2.gz KRMGFFRECONZBG-CYBMUJFWSA-N 1 2 338.389 2.302 20 5 EEBDLO O=C(C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289990993 275168473 /nfs/dbraw/zinc/16/84/73/275168473.db2.gz SJZLOKUOFXXAIQ-LBPRGKRZSA-N 1 2 349.778 2.330 20 5 EEBDLO O=C(C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000289990993 275168474 /nfs/dbraw/zinc/16/84/74/275168474.db2.gz SJZLOKUOFXXAIQ-LBPRGKRZSA-N 1 2 349.778 2.330 20 5 EEBDLO COc1cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000184297356 277376179 /nfs/dbraw/zinc/37/61/79/277376179.db2.gz RSYDYMMXNIVOKX-LLVKDONJSA-N 1 2 326.246 2.098 20 5 EEBDLO COc1cc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000184297356 277376180 /nfs/dbraw/zinc/37/61/80/277376180.db2.gz RSYDYMMXNIVOKX-LLVKDONJSA-N 1 2 326.246 2.098 20 5 EEBDLO C[C@@H]1SCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000118414227 279072341 /nfs/dbraw/zinc/07/23/41/279072341.db2.gz JAWXJESQNGXWTC-RYUDHWBXSA-N 1 2 335.429 2.310 20 5 EEBDLO C[C@@H]1SCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000118414227 279072342 /nfs/dbraw/zinc/07/23/42/279072342.db2.gz JAWXJESQNGXWTC-RYUDHWBXSA-N 1 2 335.429 2.310 20 5 EEBDLO CCOc1cccc(N2CCN(Cc3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000358256783 279972402 /nfs/dbraw/zinc/97/24/02/279972402.db2.gz OOMSSNXGUOECSH-UHFFFAOYSA-N 1 2 331.376 2.039 20 5 EEBDLO Cc1nc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC000296594485 294016609 /nfs/dbraw/zinc/01/66/09/294016609.db2.gz SHBMXCULYINEQB-HNNXBMFYSA-N 1 2 343.387 2.179 20 5 EEBDLO COc1cc[nH+]c(CN2CCOc3ccc([N+](=O)[O-])cc3C2)c1OC ZINC000352703536 312385668 /nfs/dbraw/zinc/38/56/68/312385668.db2.gz BMIPGOOVKPMMRN-UHFFFAOYSA-N 1 2 345.355 2.402 20 5 EEBDLO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)[C@@H](O)C(C)C ZINC000412722562 312715270 /nfs/dbraw/zinc/71/52/70/312715270.db2.gz DYWUGNYCOOKGPW-CJNGLKHVSA-N 1 2 346.387 2.306 20 5 EEBDLO CCc1c[nH+]ccc1NC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000413467098 312867081 /nfs/dbraw/zinc/86/70/81/312867081.db2.gz ZDQYKMDQWCLQLY-UHFFFAOYSA-N 1 2 333.319 2.303 20 5 EEBDLO CN(C)C(=O)OC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000495724954 316075086 /nfs/dbraw/zinc/07/50/86/316075086.db2.gz BMANTRGPZFIXIA-UHFFFAOYSA-N 1 2 325.340 2.397 20 5 EEBDLO Cc1cccn2cc(CC(=O)N(C)c3ccc([N+](=O)[O-])nc3)[nH+]c12 ZINC000564157108 319069559 /nfs/dbraw/zinc/06/95/59/319069559.db2.gz QQGXFCCFMUTUBT-UHFFFAOYSA-N 1 2 325.328 2.151 20 5 EEBDLO COc1cc(OCC(=O)NC(C)(C)c2[nH]cc(C)[nH+]2)ccc1[N+](=O)[O-] ZINC000574696984 320048959 /nfs/dbraw/zinc/04/89/59/320048959.db2.gz FTYXYFWSWLVPHQ-UHFFFAOYSA-N 1 2 348.359 2.065 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000351063294 465062871 /nfs/dbraw/zinc/06/28/71/465062871.db2.gz LRQCNVKQSXQHNW-ZDUSSCGKSA-N 1 2 329.360 2.402 20 5 EEBDLO COc1ccc(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000337399999 465347445 /nfs/dbraw/zinc/34/74/45/465347445.db2.gz KIDRTIIUFRZGPQ-ZDUSSCGKSA-N 1 2 342.417 2.003 20 5 EEBDLO COc1ccc(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000337399999 465347448 /nfs/dbraw/zinc/34/74/48/465347448.db2.gz KIDRTIIUFRZGPQ-ZDUSSCGKSA-N 1 2 342.417 2.003 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000008053853 462763787 /nfs/dbraw/zinc/76/37/87/462763787.db2.gz NHXMGVLJEFMCEA-UHFFFAOYSA-N 1 2 326.312 2.181 20 5 EEBDLO Cn1cccc1[C@H]1COCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000131799365 462827935 /nfs/dbraw/zinc/82/79/35/462827935.db2.gz WSGQEZSTDZJRTN-QGZVFWFLSA-N 1 2 331.372 2.386 20 5 EEBDLO Cn1cccc1[C@H]1COCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000131799365 462827941 /nfs/dbraw/zinc/82/79/41/462827941.db2.gz WSGQEZSTDZJRTN-QGZVFWFLSA-N 1 2 331.372 2.386 20 5 EEBDLO COC(=O)C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000016516730 462982005 /nfs/dbraw/zinc/98/20/05/462982005.db2.gz QWSOFIAUIWXIQX-UHFFFAOYSA-N 1 2 346.343 2.030 20 5 EEBDLO NC(=O)c1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)c([N+](=O)[O-])c1 ZINC000134077721 463001101 /nfs/dbraw/zinc/00/11/01/463001101.db2.gz NVQCWCGAZIKMNN-UHFFFAOYSA-N 1 2 329.331 2.391 20 5 EEBDLO NC(=O)c1ccc(C[N@H+]2CCc3ccc(F)cc3C2)c([N+](=O)[O-])c1 ZINC000134077721 463001107 /nfs/dbraw/zinc/00/11/07/463001107.db2.gz NVQCWCGAZIKMNN-UHFFFAOYSA-N 1 2 329.331 2.391 20 5 EEBDLO C[N@H+](Cc1cccs1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000050784463 463009483 /nfs/dbraw/zinc/00/94/83/463009483.db2.gz OUOXTOPHBYBWGS-AWEZNQCLSA-N 1 2 345.380 2.420 20 5 EEBDLO C[N@@H+](Cc1cccs1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000050784463 463009489 /nfs/dbraw/zinc/00/94/89/463009489.db2.gz OUOXTOPHBYBWGS-AWEZNQCLSA-N 1 2 345.380 2.420 20 5 EEBDLO CCOc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)nc1 ZINC000590781116 468337109 /nfs/dbraw/zinc/33/71/09/468337109.db2.gz XLCCCWVZAOFOOI-UHFFFAOYSA-N 1 2 343.387 2.106 20 5 EEBDLO O=[N+]([O-])c1cccc(CS(=O)(=O)Cc2cn3ccccc3[nH+]2)c1 ZINC000121302729 463113046 /nfs/dbraw/zinc/11/30/46/463113046.db2.gz UCEYMEJIGBYIIB-UHFFFAOYSA-N 1 2 331.353 2.358 20 5 EEBDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000079404102 463212269 /nfs/dbraw/zinc/21/22/69/463212269.db2.gz ILFDHVUPCDJIQU-UHFFFAOYSA-N 1 2 329.360 2.238 20 5 EEBDLO COc1ccc(C(=O)NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000028833768 463234404 /nfs/dbraw/zinc/23/44/04/463234404.db2.gz OUSMXVZHEHXBCD-UHFFFAOYSA-N 1 2 326.312 2.181 20 5 EEBDLO CC(=O)c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000069797722 463327947 /nfs/dbraw/zinc/32/79/47/463327947.db2.gz XKVTZHRRQLTCEW-OAHLLOKOSA-N 1 2 347.415 2.346 20 5 EEBDLO O=C(C[N@H+]1CCCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000070950395 463396879 /nfs/dbraw/zinc/39/68/79/463396879.db2.gz CMCYXBOUMPTFSF-NSHDSACASA-N 1 2 341.795 2.424 20 5 EEBDLO O=C(C[N@@H+]1CCCC[C@H]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000070950395 463396884 /nfs/dbraw/zinc/39/68/84/463396884.db2.gz CMCYXBOUMPTFSF-NSHDSACASA-N 1 2 341.795 2.424 20 5 EEBDLO Cc1nc(NCc2ccc(N3CCOCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000268435938 463742318 /nfs/dbraw/zinc/74/23/18/463742318.db2.gz CCDNXBMLOJQXTK-UHFFFAOYSA-N 1 2 329.360 2.142 20 5 EEBDLO CN(CCCn1cc[nH+]c1)c1ncc([N+](=O)[O-])cc1Br ZINC000268940776 463817463 /nfs/dbraw/zinc/81/74/63/463817463.db2.gz FTBZAZDRBKHWCX-UHFFFAOYSA-N 1 2 340.181 2.475 20 5 EEBDLO Cn1ccnc1[C@@H]([NH2+]CC1=CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000287223535 463838729 /nfs/dbraw/zinc/83/87/29/463838729.db2.gz XSOOWKGOKJSXBZ-INIZCTEOSA-N 1 2 328.372 2.354 20 5 EEBDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269105752 463876586 /nfs/dbraw/zinc/87/65/86/463876586.db2.gz BKSWOPSKUIJHRQ-UHFFFAOYSA-N 1 2 342.355 2.226 20 5 EEBDLO Nc1ccc(NCc2ccc[nH+]c2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000283506966 463909504 /nfs/dbraw/zinc/90/95/04/463909504.db2.gz JFSXBSADXXFEKX-UHFFFAOYSA-N 1 2 329.360 2.021 20 5 EEBDLO O=[N+]([O-])c1cnn(CC[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000186063249 463930866 /nfs/dbraw/zinc/93/08/66/463930866.db2.gz RPVXPHKXFHTHOV-KRWDZBQOSA-N 1 2 330.388 2.125 20 5 EEBDLO O=[N+]([O-])c1cnn(CC[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000186063249 463930873 /nfs/dbraw/zinc/93/08/73/463930873.db2.gz RPVXPHKXFHTHOV-KRWDZBQOSA-N 1 2 330.388 2.125 20 5 EEBDLO C[C@H](O)C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000269904099 464125588 /nfs/dbraw/zinc/12/55/88/464125588.db2.gz MSJHGCDKXMLYSB-GXTWGEPZSA-N 1 2 344.371 2.156 20 5 EEBDLO CC(C)c1ccc(C[N@H+](C)CC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000179676425 464171850 /nfs/dbraw/zinc/17/18/50/464171850.db2.gz ISSUJXLDZQRJIX-UHFFFAOYSA-N 1 2 335.404 2.009 20 5 EEBDLO CC(C)c1ccc(C[N@@H+](C)CC(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000179676425 464171854 /nfs/dbraw/zinc/17/18/54/464171854.db2.gz ISSUJXLDZQRJIX-UHFFFAOYSA-N 1 2 335.404 2.009 20 5 EEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000292872450 464371221 /nfs/dbraw/zinc/37/12/21/464371221.db2.gz XGDAGNIYAZKQMC-LBPRGKRZSA-N 1 2 349.412 2.435 20 5 EEBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000292872450 464371224 /nfs/dbraw/zinc/37/12/24/464371224.db2.gz XGDAGNIYAZKQMC-LBPRGKRZSA-N 1 2 349.412 2.435 20 5 EEBDLO CSC[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182035027 464556761 /nfs/dbraw/zinc/55/67/61/464556761.db2.gz AGIKJVFCFDWISW-CYBMUJFWSA-N 1 2 344.458 2.196 20 5 EEBDLO CSC[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182035027 464556767 /nfs/dbraw/zinc/55/67/67/464556767.db2.gz AGIKJVFCFDWISW-CYBMUJFWSA-N 1 2 344.458 2.196 20 5 EEBDLO Cc1cc(Cl)c(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000294735907 464589189 /nfs/dbraw/zinc/58/91/89/464589189.db2.gz BZFTZMMKGSAQAC-NSHDSACASA-N 1 2 341.795 2.007 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000281943961 464644470 /nfs/dbraw/zinc/64/44/70/464644470.db2.gz LQIZUWBLGYSOBT-UHFFFAOYSA-N 1 2 333.348 2.391 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000295197790 464741794 /nfs/dbraw/zinc/74/17/94/464741794.db2.gz YFVLFIUOHDOKBJ-AWEZNQCLSA-N 1 2 337.376 2.266 20 5 EEBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000295197790 464741796 /nfs/dbraw/zinc/74/17/96/464741796.db2.gz YFVLFIUOHDOKBJ-AWEZNQCLSA-N 1 2 337.376 2.266 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c1 ZINC000276214658 464849892 /nfs/dbraw/zinc/84/98/92/464849892.db2.gz IZBUBNTWZDJORW-WBMJQRKESA-N 1 2 344.371 2.287 20 5 EEBDLO CC[N@H+](CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccccc1 ZINC000548056021 468428081 /nfs/dbraw/zinc/42/80/81/468428081.db2.gz MVZLCCGBODNXNB-UHFFFAOYSA-N 1 2 343.387 2.218 20 5 EEBDLO CC[N@@H+](CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccccc1 ZINC000548056021 468428085 /nfs/dbraw/zinc/42/80/85/468428085.db2.gz MVZLCCGBODNXNB-UHFFFAOYSA-N 1 2 343.387 2.218 20 5 EEBDLO COc1cc[nH+]cc1COC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000286603992 464974739 /nfs/dbraw/zinc/97/47/39/464974739.db2.gz AAQZOZMOMAHZJE-UHFFFAOYSA-N 1 2 348.311 2.373 20 5 EEBDLO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000362599385 465868646 /nfs/dbraw/zinc/86/86/46/465868646.db2.gz DAEXUIPHAVBGIW-QGZVFWFLSA-N 1 2 336.388 2.101 20 5 EEBDLO O=[N+]([O-])c1ccc(OCC[N@H+]2CCO[C@@H](COCC3CC3)C2)cc1 ZINC000362599385 465868656 /nfs/dbraw/zinc/86/86/56/465868656.db2.gz DAEXUIPHAVBGIW-QGZVFWFLSA-N 1 2 336.388 2.101 20 5 EEBDLO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1csc([N+](=O)[O-])c1 ZINC000371995068 466108088 /nfs/dbraw/zinc/10/80/88/466108088.db2.gz ZQSXSLDABSAFIL-OLZOCXBDSA-N 1 2 339.417 2.030 20 5 EEBDLO Cc1nc(C)n(C[C@@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000331739288 466227540 /nfs/dbraw/zinc/22/75/40/466227540.db2.gz WMNLMUNGFXUCCE-SJCJKPOMSA-N 1 2 345.403 2.265 20 5 EEBDLO Cc1nc(C)n(C[C@@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)n1 ZINC000331739288 466227546 /nfs/dbraw/zinc/22/75/46/466227546.db2.gz WMNLMUNGFXUCCE-SJCJKPOMSA-N 1 2 345.403 2.265 20 5 EEBDLO CN(c1ccccc1)c1ccc(C[N@H+](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000349831422 466262181 /nfs/dbraw/zinc/26/21/81/466262181.db2.gz LHFJPTZWTZDQDB-UHFFFAOYSA-N 1 2 328.372 2.280 20 5 EEBDLO CN(c1ccccc1)c1ccc(C[N@@H+](C)CC(N)=O)cc1[N+](=O)[O-] ZINC000349831422 466262191 /nfs/dbraw/zinc/26/21/91/466262191.db2.gz LHFJPTZWTZDQDB-UHFFFAOYSA-N 1 2 328.372 2.280 20 5 EEBDLO Cc1cccc([N+](=O)[O-])c1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000373219008 466731508 /nfs/dbraw/zinc/73/15/08/466731508.db2.gz FGCOOIGBLCPNHB-UHFFFAOYSA-N 1 2 328.372 2.409 20 5 EEBDLO COc1cc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000412024334 466968770 /nfs/dbraw/zinc/96/87/70/466968770.db2.gz BRGOBIDBLZDFTC-JTQLQIEISA-N 1 2 335.339 2.159 20 5 EEBDLO COc1cc(C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000412024334 466968775 /nfs/dbraw/zinc/96/87/75/466968775.db2.gz BRGOBIDBLZDFTC-JTQLQIEISA-N 1 2 335.339 2.159 20 5 EEBDLO COc1cc(C[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000412024334 466968781 /nfs/dbraw/zinc/96/87/81/466968781.db2.gz BRGOBIDBLZDFTC-JTQLQIEISA-N 1 2 335.339 2.159 20 5 EEBDLO COc1cc(C[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])cc1F ZINC000412024334 466968784 /nfs/dbraw/zinc/96/87/84/466968784.db2.gz BRGOBIDBLZDFTC-JTQLQIEISA-N 1 2 335.339 2.159 20 5 EEBDLO COc1cc(C[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000412024334 466968788 /nfs/dbraw/zinc/96/87/88/466968788.db2.gz BRGOBIDBLZDFTC-JTQLQIEISA-N 1 2 335.339 2.159 20 5 EEBDLO COc1cc(C[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)c([N+](=O)[O-])cc1F ZINC000412024334 466968794 /nfs/dbraw/zinc/96/87/94/466968794.db2.gz BRGOBIDBLZDFTC-JTQLQIEISA-N 1 2 335.339 2.159 20 5 EEBDLO Cc1c(NC(=O)CC[NH2+][C@H](C)c2csnn2)cccc1[N+](=O)[O-] ZINC000412041019 466976069 /nfs/dbraw/zinc/97/60/69/466976069.db2.gz NBASNRSJTUAUIY-SNVBAGLBSA-N 1 2 335.389 2.434 20 5 EEBDLO CC(C)C[C@H](CNc1ncc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000413048506 467160360 /nfs/dbraw/zinc/16/03/60/467160360.db2.gz WSGDOIVUJBGIOQ-GFCCVEGCSA-N 1 2 326.372 2.288 20 5 EEBDLO CC[C@@H]1C[N@H+](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000428057436 467199207 /nfs/dbraw/zinc/19/92/07/467199207.db2.gz JCBLEVZXKFGRCQ-LLVKDONJSA-N 1 2 341.795 2.089 20 5 EEBDLO CC[C@@H]1C[N@@H+](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000428057436 467199212 /nfs/dbraw/zinc/19/92/12/467199212.db2.gz JCBLEVZXKFGRCQ-LLVKDONJSA-N 1 2 341.795 2.089 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452118438 467330170 /nfs/dbraw/zinc/33/01/70/467330170.db2.gz PBLBXEZZIFTKBY-HIFRSBDPSA-N 1 2 333.388 2.199 20 5 EEBDLO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452118438 467330173 /nfs/dbraw/zinc/33/01/73/467330173.db2.gz PBLBXEZZIFTKBY-HIFRSBDPSA-N 1 2 333.388 2.199 20 5 EEBDLO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000454309819 467583456 /nfs/dbraw/zinc/58/34/56/467583456.db2.gz WLXRGQKYOPJRTE-MFKMUULPSA-N 1 2 345.359 2.305 20 5 EEBDLO CC[C@H](C)[C@@](C)(O)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000449908111 467741834 /nfs/dbraw/zinc/74/18/34/467741834.db2.gz RWQRTUXJDZMVRA-SJCJKPOMSA-N 1 2 346.387 2.307 20 5 EEBDLO CCCN(CC(C)(C)O)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000450089964 467775503 /nfs/dbraw/zinc/77/55/03/467775503.db2.gz SHROAUHOAQOXLI-UHFFFAOYSA-N 1 2 346.387 2.404 20 5 EEBDLO C[C@@H]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)O1 ZINC000457367148 467809587 /nfs/dbraw/zinc/80/95/87/467809587.db2.gz MCIHAGYAPUJYDL-YPMHNXCESA-N 1 2 330.344 2.078 20 5 EEBDLO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000493211818 467862567 /nfs/dbraw/zinc/86/25/67/467862567.db2.gz STSCHPJGWUYIQG-LBPRGKRZSA-N 1 2 325.796 2.155 20 5 EEBDLO CS[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000450686131 467891773 /nfs/dbraw/zinc/89/17/73/467891773.db2.gz VCFIATGDXFZVEJ-AWEZNQCLSA-N 1 2 337.445 2.369 20 5 EEBDLO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1CC[NH2+]CC1(F)F ZINC000493736782 467973341 /nfs/dbraw/zinc/97/33/41/467973341.db2.gz FUAHAWUCNWHRPU-MORRKMRCSA-N 1 2 343.305 2.108 20 5 EEBDLO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000515306138 467984921 /nfs/dbraw/zinc/98/49/21/467984921.db2.gz VYUJVQOSYANAMI-LBPRGKRZSA-N 1 2 326.324 2.081 20 5 EEBDLO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000515306138 467984923 /nfs/dbraw/zinc/98/49/23/467984923.db2.gz VYUJVQOSYANAMI-LBPRGKRZSA-N 1 2 326.324 2.081 20 5 EEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc[nH+]c1N1CCCC1 ZINC000597941968 468718896 /nfs/dbraw/zinc/71/88/96/468718896.db2.gz UIFCXXKPYWWQMG-UHFFFAOYSA-N 1 2 340.383 2.449 20 5 EEBDLO C[C@@H]1SCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000592733183 468771813 /nfs/dbraw/zinc/77/18/13/468771813.db2.gz DOMXCXUHQXMPDO-CMPLNLGQSA-N 1 2 332.385 2.404 20 5 EEBDLO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598558806 468913004 /nfs/dbraw/zinc/91/30/04/468913004.db2.gz DLGYNKCRUJPIAC-CYBMUJFWSA-N 1 2 333.388 2.152 20 5 EEBDLO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000598558806 468913008 /nfs/dbraw/zinc/91/30/08/468913008.db2.gz DLGYNKCRUJPIAC-CYBMUJFWSA-N 1 2 333.388 2.152 20 5 EEBDLO CCc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000610435775 468966941 /nfs/dbraw/zinc/96/69/41/468966941.db2.gz RHZMIBXMIQRYGC-MRXNPFEDSA-N 1 2 347.415 2.094 20 5 EEBDLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)CCC2 ZINC000611040473 469146531 /nfs/dbraw/zinc/14/65/31/469146531.db2.gz WIBYABOLJRMVAC-AWEZNQCLSA-N 1 2 343.387 2.477 20 5 EEBDLO O=[N+]([O-])c1cccc(Br)c1-n1c[nH+]c(CCCO)c1 ZINC000596123788 469166633 /nfs/dbraw/zinc/16/66/33/469166633.db2.gz QBXGRGIZGWUVPU-UHFFFAOYSA-N 1 2 326.150 2.468 20 5 EEBDLO O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609130874 469893589 /nfs/dbraw/zinc/89/35/89/469893589.db2.gz AKNQTUOFNAKPPZ-ZDUSSCGKSA-N 1 2 330.344 2.034 20 5 EEBDLO O=C(NCCc1cscn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000109885547 490599189 /nfs/dbraw/zinc/59/91/89/490599189.db2.gz FPECXJJJMJIQDH-UHFFFAOYSA-N 1 2 343.368 2.210 20 5 EEBDLO Cc1c(CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cccc1[N+](=O)[O-] ZINC000153202329 533837183 /nfs/dbraw/zinc/83/71/83/533837183.db2.gz QUMJHMDSUBBOSJ-OAHLLOKOSA-N 1 2 340.383 2.236 20 5 EEBDLO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728541731 576505177 /nfs/dbraw/zinc/50/51/77/576505177.db2.gz JJHYHMNODIGQGE-AWEZNQCLSA-N 1 2 343.387 2.335 20 5 EEBDLO C[N@H+](CCc1cnccn1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771462653 577214005 /nfs/dbraw/zinc/21/40/05/577214005.db2.gz XFVPPBBMTNZQNA-UHFFFAOYSA-N 1 2 349.778 2.151 20 5 EEBDLO C[N@@H+](CCc1cnccn1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000771462653 577214006 /nfs/dbraw/zinc/21/40/06/577214006.db2.gz XFVPPBBMTNZQNA-UHFFFAOYSA-N 1 2 349.778 2.151 20 5 EEBDLO O=[N+]([O-])c1cccc(-c2noc(-c3ccc(-n4cc[nH+]c4)nn3)n2)c1 ZINC000733739914 577256052 /nfs/dbraw/zinc/25/60/52/577256052.db2.gz GDTOFGHTABOHAH-UHFFFAOYSA-N 1 2 335.283 2.288 20 5 EEBDLO O=C(C[N@@H+]1CC[C@H](C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000761050258 577674925 /nfs/dbraw/zinc/67/49/25/577674925.db2.gz RXWKVMABWSLIPG-NSHDSACASA-N 1 2 343.305 2.368 20 5 EEBDLO O=C(C[N@H+]1CC[C@H](C(F)(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000761050258 577674926 /nfs/dbraw/zinc/67/49/26/577674926.db2.gz RXWKVMABWSLIPG-NSHDSACASA-N 1 2 343.305 2.368 20 5 EEBDLO C[C@H]1COCC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000754385247 577805587 /nfs/dbraw/zinc/80/55/87/577805587.db2.gz BCRVSUVUGAYRLC-SNVBAGLBSA-N 1 2 327.768 2.155 20 5 EEBDLO C[C@H]1COCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000754385247 577805588 /nfs/dbraw/zinc/80/55/88/577805588.db2.gz BCRVSUVUGAYRLC-SNVBAGLBSA-N 1 2 327.768 2.155 20 5 EEBDLO Cc1noc([C@H](C)[NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000754687459 577810882 /nfs/dbraw/zinc/81/08/82/577810882.db2.gz BRAQJZDZEJLVDL-ZETCQYMHSA-N 1 2 339.739 2.229 20 5 EEBDLO CC[C@H]1C[C@H](C)C[N@@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000755270526 577822770 /nfs/dbraw/zinc/82/27/70/577822770.db2.gz HMMWKZKATHSWFM-AAEUAGOBSA-N 1 2 332.360 2.489 20 5 EEBDLO CC[C@H]1C[C@H](C)C[N@H+]1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000755270526 577822771 /nfs/dbraw/zinc/82/27/71/577822771.db2.gz HMMWKZKATHSWFM-AAEUAGOBSA-N 1 2 332.360 2.489 20 5 EEBDLO O=C(NCc1cccc(F)n1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000749088599 577971003 /nfs/dbraw/zinc/97/10/03/577971003.db2.gz XMJJTXUBYQNHAS-UHFFFAOYSA-N 1 2 341.302 2.245 20 5 EEBDLO COc1cccc(C[NH+]2CCN(Cc3onc(C)c3[N+](=O)[O-])CC2)c1 ZINC000879447913 1201071649 /nfs/dbraw/zinc/07/16/49/1201071649.db2.gz KWZBIMRIEWKMOT-UHFFFAOYSA-N 1 2 346.387 2.218 20 5 EEBDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886019454 1202463594 /nfs/dbraw/zinc/46/35/94/1202463594.db2.gz UXPHSZCZUZHDTB-CQSZACIVSA-N 1 2 327.388 2.264 20 5 EEBDLO Cc1nccc(COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000795629488 1214416483 /nfs/dbraw/zinc/41/64/83/1214416483.db2.gz GHWVKJUICFVFGB-UHFFFAOYSA-N 1 2 339.311 2.236 20 5 EEBDLO O=C(Cc1c[nH]c[nH+]1)NCCCN(c1ccccc1[N+](=O)[O-])C1CC1 ZINC001096081006 1234558067 /nfs/dbraw/zinc/55/80/67/1234558067.db2.gz MWEYIUFOZNKCTR-UHFFFAOYSA-N 1 2 343.387 2.036 20 5 EEBDLO CCn1c[nH+]c2c1CCN(Cn1ncc3cc([N+](=O)[O-])ccc31)C2 ZINC000902541542 1237840705 /nfs/dbraw/zinc/84/07/05/1237840705.db2.gz GNVXKYYIIGJASQ-UHFFFAOYSA-N 1 2 326.360 2.177 20 5 EEBDLO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCn3c[nH+]cc3C2)cc1Cl ZINC000857941498 1293961194 /nfs/dbraw/zinc/96/11/94/1293961194.db2.gz HYHUBDUDTOKRFU-JTQLQIEISA-N 1 2 334.763 2.498 20 5 EEBDLO C[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2I)C1 ZINC001226031400 1301238924 /nfs/dbraw/zinc/23/89/24/1301238924.db2.gz BRVCUDFHLHWWTH-SECBINFHSA-N 1 2 348.140 2.282 20 5 EEBDLO C[N@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2I)C1 ZINC001226031400 1301238929 /nfs/dbraw/zinc/23/89/29/1301238929.db2.gz BRVCUDFHLHWWTH-SECBINFHSA-N 1 2 348.140 2.282 20 5 EEBDLO CCC(=CC(=O)NC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1)CC ZINC001226876144 1301591966 /nfs/dbraw/zinc/59/19/66/1301591966.db2.gz OAEJBPCENGSUJB-UHFFFAOYSA-N 1 2 349.435 2.155 20 5 EEBDLO CCCSc1nc(OC2CC[NH+](CC)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229794545 1302947290 /nfs/dbraw/zinc/94/72/90/1302947290.db2.gz BAXQADINAXTBBR-UHFFFAOYSA-N 1 2 342.421 2.456 20 5 EEBDLO O=C(Cc1[nH]cc[nH+]1)NC1(CNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001103440179 1302964386 /nfs/dbraw/zinc/96/43/86/1302964386.db2.gz OZNOZVNUMWATMZ-UHFFFAOYSA-N 1 2 343.387 2.402 20 5 EEBDLO O=C(Cc1[nH]cc[nH+]1)NCC1(Nc2ccc(F)cc2[N+](=O)[O-])CCC1 ZINC001111839237 1303977498 /nfs/dbraw/zinc/97/74/98/1303977498.db2.gz BCFKUMBZMSXTCR-UHFFFAOYSA-N 1 2 347.350 2.151 20 5 EEBDLO CC(C)(C)OC(=O)NC1C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254600165 1318139852 /nfs/dbraw/zinc/13/98/52/1318139852.db2.gz QHDVCOWRTIDPJP-OAHLLOKOSA-N 1 2 333.388 2.271 20 5 EEBDLO CCOC(=O)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001161950450 1320690559 /nfs/dbraw/zinc/69/05/59/1320690559.db2.gz GVKIABKEOYHIIZ-GFCCVEGCSA-N 1 2 348.334 2.098 20 5 EEBDLO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CCc2sccc2C1 ZINC001593483200 1349814215 /nfs/dbraw/zinc/81/42/15/1349814215.db2.gz WSPHBGBNNCDSGU-UHFFFAOYSA-N 1 2 342.384 2.395 20 5 EEBDLO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CCc2sccc2C1 ZINC001593483200 1349814217 /nfs/dbraw/zinc/81/42/17/1349814217.db2.gz WSPHBGBNNCDSGU-UHFFFAOYSA-N 1 2 342.384 2.395 20 5 EEBDLO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001607077643 1351407799 /nfs/dbraw/zinc/40/77/99/1351407799.db2.gz QAYYIXMXVUWBOB-UHFFFAOYSA-N 1 2 336.302 2.006 20 5 EEBDLO O=C(c1cc(F)c[nH]1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000981635178 777859154 /nfs/dbraw/zinc/85/91/54/777859154.db2.gz VGAKNHRNMNGJBN-UHFFFAOYSA-N 1 2 346.362 2.410 20 5 EEBDLO O=C(c1cc(F)c[nH]1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000981635178 777859164 /nfs/dbraw/zinc/85/91/64/777859164.db2.gz VGAKNHRNMNGJBN-UHFFFAOYSA-N 1 2 346.362 2.410 20 5 EEBDLO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000822536357 787239780 /nfs/dbraw/zinc/23/97/80/787239780.db2.gz OMLYONZHUUOOPS-CYBMUJFWSA-N 1 2 335.404 2.004 20 5 EEBDLO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000823634796 787845759 /nfs/dbraw/zinc/84/57/59/787845759.db2.gz OJLICLLEEQNLNV-JTQLQIEISA-N 1 2 332.385 2.258 20 5 EEBDLO O=C(CCc1c[nH]c[nH+]1)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094856021 796824114 /nfs/dbraw/zinc/82/41/14/796824114.db2.gz KWKSLLRANRWUJQ-UHFFFAOYSA-N 1 2 335.339 2.008 20 5 EEBDLO O=C(CCc1c[nH+]c[nH]1)NCCCNc1cccc(F)c1[N+](=O)[O-] ZINC001094856021 796824116 /nfs/dbraw/zinc/82/41/16/796824116.db2.gz KWKSLLRANRWUJQ-UHFFFAOYSA-N 1 2 335.339 2.008 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001110194413 798396211 /nfs/dbraw/zinc/39/62/11/798396211.db2.gz HVWXADORNNMMDZ-UHFFFAOYSA-N 1 2 343.387 2.238 20 5 EEBDLO Cc1[nH+]c[nH]c1CC(=O)NCC1(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001110194295 798409326 /nfs/dbraw/zinc/40/93/26/798409326.db2.gz AOXYVZFEFNRARD-UHFFFAOYSA-N 1 2 343.387 2.238 20 5 EEBDLO Nc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2SCCO)cc[nH+]1 ZINC000792087448 809595132 /nfs/dbraw/zinc/59/51/32/809595132.db2.gz BXFKENVNKJJLOT-UHFFFAOYSA-N 1 2 349.368 2.013 20 5 EEBDLO COc1ccc(C[C@@H](C)N2CC[NH2+]CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001170334654 809899094 /nfs/dbraw/zinc/89/90/94/809899094.db2.gz HJDNIQQCIKJUNV-LLVKDONJSA-N 1 2 329.347 2.075 20 5 EEBDLO COc1ccc(C[C@@H](C)[NH+]2CCN(CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC001170350644 809920140 /nfs/dbraw/zinc/92/01/40/809920140.db2.gz BUHRUNCKCPOQJE-GFCCVEGCSA-N 1 2 343.374 2.417 20 5 EEBDLO CC[N@@H+]1CCO[C@@H](C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000805477507 811307933 /nfs/dbraw/zinc/30/79/33/811307933.db2.gz KTLQZMZJGFHXJL-CYBMUJFWSA-N 1 2 328.752 2.012 20 5 EEBDLO CC[N@H+]1CCO[C@@H](C(=O)OCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000805477507 811307943 /nfs/dbraw/zinc/30/79/43/811307943.db2.gz KTLQZMZJGFHXJL-CYBMUJFWSA-N 1 2 328.752 2.012 20 5 EEBDLO CNC(=O)c1ccc(N2CCCC[C@@H]2c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000267216731 290627052 /nfs/dbraw/zinc/62/70/52/290627052.db2.gz CLKZOYJJGICFLL-CYBMUJFWSA-N 1 2 329.360 2.409 20 5 EEBDLO CCS(=O)(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000193244125 237377480 /nfs/dbraw/zinc/37/74/80/237377480.db2.gz LIYOIVMDQQIPJT-UHFFFAOYSA-N 1 2 326.418 2.302 20 5 EEBDLO Cc1c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000028693301 212632140 /nfs/dbraw/zinc/63/21/40/212632140.db2.gz QTAVZPVHHOUWAX-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000451377700 243095027 /nfs/dbraw/zinc/09/50/27/243095027.db2.gz QESLFFHJGATDQM-LBPRGKRZSA-N 1 2 344.371 2.457 20 5 EEBDLO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000451377700 243095029 /nfs/dbraw/zinc/09/50/29/243095029.db2.gz QESLFFHJGATDQM-LBPRGKRZSA-N 1 2 344.371 2.457 20 5 EEBDLO Cc1cc(OCC(=O)N[C@@H]2C[C@H](C)n3cc[nH+]c32)ccc1[N+](=O)[O-] ZINC000456428980 244256072 /nfs/dbraw/zinc/25/60/72/244256072.db2.gz RSAFNPPITBZEPD-WCQYABFASA-N 1 2 330.344 2.301 20 5 EEBDLO Cc1cccnc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093193849 218202438 /nfs/dbraw/zinc/20/24/38/218202438.db2.gz DVTJUTYQGLHAFW-UHFFFAOYSA-N 1 2 340.383 2.256 20 5 EEBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCC3)cc1[N+](=O)[O-] ZINC000271060761 256203630 /nfs/dbraw/zinc/20/36/30/256203630.db2.gz BWIFVCLCNYMBGZ-NSHDSACASA-N 1 2 331.376 2.382 20 5 EEBDLO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120470126 142389251 /nfs/dbraw/zinc/38/92/51/142389251.db2.gz VIUPFBKWPUNGSE-MRXNPFEDSA-N 1 2 327.340 2.212 20 5 EEBDLO Cn1cc[nH+]c1[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000341689268 161005511 /nfs/dbraw/zinc/00/55/11/161005511.db2.gz LEMMZDXGWLHZOA-OAHLLOKOSA-N 1 2 329.360 2.008 20 5 EEBDLO O=C(Nc1ccccc1C[NH+]1CCOCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000343871964 161176414 /nfs/dbraw/zinc/17/64/14/161176414.db2.gz JFBCCXPFJRLMMA-UHFFFAOYSA-N 1 2 330.344 2.007 20 5 EEBDLO Cc1cnn([C@H]2CC[N@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)c1 ZINC000352413844 162127996 /nfs/dbraw/zinc/12/79/96/162127996.db2.gz BZOHAHGSAUADGG-AWEZNQCLSA-N 1 2 343.387 2.294 20 5 EEBDLO Cc1cnn([C@H]2CC[N@@H+](CC(=O)Nc3c(C)cccc3[N+](=O)[O-])C2)c1 ZINC000352413844 162127998 /nfs/dbraw/zinc/12/79/98/162127998.db2.gz BZOHAHGSAUADGG-AWEZNQCLSA-N 1 2 343.387 2.294 20 5 EEBDLO Cn1c[nH+]cc1CNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000355260612 163126424 /nfs/dbraw/zinc/12/64/24/163126424.db2.gz XSAWVEILIKMYOJ-UHFFFAOYSA-N 1 2 328.250 2.277 20 5 EEBDLO Cc1cc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])no1 ZINC000367862331 166012238 /nfs/dbraw/zinc/01/22/38/166012238.db2.gz VEFWLFGUBXOSGU-DZGCQCFKSA-N 1 2 347.371 2.468 20 5 EEBDLO Cc1cc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccccc2[N+](=O)[O-])no1 ZINC000367862331 166012239 /nfs/dbraw/zinc/01/22/39/166012239.db2.gz VEFWLFGUBXOSGU-DZGCQCFKSA-N 1 2 347.371 2.468 20 5 EEBDLO Cc1ccnc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000359637911 164143004 /nfs/dbraw/zinc/14/30/04/164143004.db2.gz KODJZJABKMHGRI-KBPBESRZSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1ccnc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000359637911 164143005 /nfs/dbraw/zinc/14/30/05/164143005.db2.gz KODJZJABKMHGRI-KBPBESRZSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1ccnc(NC[C@@H]2C[C@@H](F)C[N@H+]2Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000359637912 164143164 /nfs/dbraw/zinc/14/31/64/164143164.db2.gz KODJZJABKMHGRI-KGLIPLIRSA-N 1 2 348.382 2.056 20 5 EEBDLO Cc1ccnc(NC[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cnn(C)c2)c1[N+](=O)[O-] ZINC000359637912 164143166 /nfs/dbraw/zinc/14/31/66/164143166.db2.gz KODJZJABKMHGRI-KGLIPLIRSA-N 1 2 348.382 2.056 20 5 EEBDLO CC(C)c1nc([C@@H]2CCC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC000376223792 167284612 /nfs/dbraw/zinc/28/46/12/167284612.db2.gz CPKPMDJGQCYBIB-LLVKDONJSA-N 1 2 334.380 2.214 20 5 EEBDLO CC(C)c1nc([C@@H]2CCC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)no1 ZINC000376223792 167284614 /nfs/dbraw/zinc/28/46/14/167284614.db2.gz CPKPMDJGQCYBIB-LLVKDONJSA-N 1 2 334.380 2.214 20 5 EEBDLO CC(C)[N@@H+]1CCO[C@@H](c2noc(COc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000272682177 269008854 /nfs/dbraw/zinc/00/88/54/269008854.db2.gz SAPLRIZPENBUHC-CQSZACIVSA-N 1 2 348.359 2.339 20 5 EEBDLO CC(C)[N@H+]1CCO[C@@H](c2noc(COc3cccc([N+](=O)[O-])c3)n2)C1 ZINC000272682177 269008855 /nfs/dbraw/zinc/00/88/55/269008855.db2.gz SAPLRIZPENBUHC-CQSZACIVSA-N 1 2 348.359 2.339 20 5 EEBDLO COc1cccc(NCc2ccc(N3CCOCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000274559273 269039152 /nfs/dbraw/zinc/03/91/52/269039152.db2.gz AIBZVMISJGXCEH-UHFFFAOYSA-N 1 2 344.371 2.447 20 5 EEBDLO COc1ccncc1C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000292761140 275475866 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