smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(F)c(C(F)(F)F)cc1F ZINC000582026192 1021899497 /nfs/dbraw/zinc/89/94/97/1021899497.db2.gz WWQOEYMEJLAKTC-UHFFFAOYSA-N 1 2 346.255 4.182 20 5 EIBDLO Cc1ccc(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c(C)[nH+]1 ZINC000119048574 1021906172 /nfs/dbraw/zinc/90/61/72/1021906172.db2.gz YOAFVWWSOYOIIH-UHFFFAOYSA-N 1 2 340.408 4.342 20 5 EIBDLO C[C@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000128446914 1022467135 /nfs/dbraw/zinc/46/71/35/1022467135.db2.gz NCXQQJSMGRNTEX-NSHDSACASA-N 1 2 329.381 4.162 20 5 EIBDLO C[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180415245 1022643157 /nfs/dbraw/zinc/64/31/57/1022643157.db2.gz JFHGTRTUNPCILZ-LBPRGKRZSA-N 1 2 341.342 4.240 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1NCc1ccccc1-n1cc[nH+]c1 ZINC000432130564 1023892762 /nfs/dbraw/zinc/89/27/62/1023892762.db2.gz RTTPVXAHQIPBTO-UHFFFAOYSA-N 1 2 328.759 4.046 20 5 EIBDLO Cc1cc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549521430 1023933542 /nfs/dbraw/zinc/93/35/42/1023933542.db2.gz LFJFYNPLSWOCTH-UHFFFAOYSA-N 1 2 342.321 4.011 20 5 EIBDLO CC(C)n1cc2c(n1)[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000893621537 1025590370 /nfs/dbraw/zinc/59/03/70/1025590370.db2.gz PAXKRKZSDQRBMQ-OAHLLOKOSA-N 1 2 348.834 4.193 20 5 EIBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780378722 1028449299 /nfs/dbraw/zinc/44/92/99/1028449299.db2.gz FSCGHWPDHUWVEW-KOLCDFICSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780378722 1028449311 /nfs/dbraw/zinc/44/93/11/1028449311.db2.gz FSCGHWPDHUWVEW-KOLCDFICSA-N 1 2 336.741 4.411 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000024250409 1030172950 /nfs/dbraw/zinc/17/29/50/1030172950.db2.gz CZCLIVMRIMEPQJ-LLVKDONJSA-N 1 2 336.338 4.075 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000024250409 1030172952 /nfs/dbraw/zinc/17/29/52/1030172952.db2.gz CZCLIVMRIMEPQJ-LLVKDONJSA-N 1 2 336.338 4.075 20 5 EIBDLO Cc1c(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)cccc1[N+](=O)[O-] ZINC000451461736 1030512140 /nfs/dbraw/zinc/51/21/40/1030512140.db2.gz SRQWWGQNELIBBS-GOSISDBHSA-N 1 2 336.395 4.117 20 5 EIBDLO Cc1c(C[N@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)cccc1[N+](=O)[O-] ZINC000451461736 1030512157 /nfs/dbraw/zinc/51/21/57/1030512157.db2.gz SRQWWGQNELIBBS-GOSISDBHSA-N 1 2 336.395 4.117 20 5 EIBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000780383884 1031066209 /nfs/dbraw/zinc/06/62/09/1031066209.db2.gz CMZBJEHBFZKYGH-ONGXEEELSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000780383884 1031066230 /nfs/dbraw/zinc/06/62/30/1031066230.db2.gz CMZBJEHBFZKYGH-ONGXEEELSA-N 1 2 336.741 4.411 20 5 EIBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000513425498 1034934676 /nfs/dbraw/zinc/93/46/76/1034934676.db2.gz WXQZZDPTQHRRQI-POHAHGRESA-N 1 2 348.406 4.034 20 5 EIBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000513425498 1034934689 /nfs/dbraw/zinc/93/46/89/1034934689.db2.gz WXQZZDPTQHRRQI-POHAHGRESA-N 1 2 348.406 4.034 20 5 EIBDLO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595027680 1035559106 /nfs/dbraw/zinc/55/91/06/1035559106.db2.gz TVTIIVDTOGQCTL-NEPJUHHUSA-N 1 2 348.374 4.163 20 5 EIBDLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000595334726 1035631129 /nfs/dbraw/zinc/63/11/29/1035631129.db2.gz VSJRZEWGTPFZRA-LLVKDONJSA-N 1 2 337.420 4.254 20 5 EIBDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000595334726 1035631141 /nfs/dbraw/zinc/63/11/41/1035631141.db2.gz VSJRZEWGTPFZRA-LLVKDONJSA-N 1 2 337.420 4.254 20 5 EIBDLO C[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccccc2)c[nH]1 ZINC000485285984 1035812342 /nfs/dbraw/zinc/81/23/42/1035812342.db2.gz FSCBJSOKXFQXNN-XFFZJAGNSA-N 1 2 348.406 4.130 20 5 EIBDLO C[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccccc2)c[nH]1 ZINC000485285984 1035812347 /nfs/dbraw/zinc/81/23/47/1035812347.db2.gz FSCBJSOKXFQXNN-XFFZJAGNSA-N 1 2 348.406 4.130 20 5 EIBDLO COCc1cc[nH+]c(N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000593725465 1036940087 /nfs/dbraw/zinc/94/00/87/1036940087.db2.gz LZWVUTLUQXRCAA-KRWDZBQOSA-N 1 2 327.384 4.016 20 5 EIBDLO CN(c1ccccc1)c1ccc(C[NH+]2CC(C(F)F)C2)cc1[N+](=O)[O-] ZINC000590968829 1037219418 /nfs/dbraw/zinc/21/94/18/1037219418.db2.gz VYXHLNXBBLQWGH-UHFFFAOYSA-N 1 2 347.365 4.060 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(F)cc2Cl)c(Cl)c1 ZINC000183808915 1037295649 /nfs/dbraw/zinc/29/56/49/1037295649.db2.gz YJTMBSLUCSTVEF-UHFFFAOYSA-N 1 2 329.158 4.331 20 5 EIBDLO COc1cc(C[N@H+](C)Cc2ccc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000489186932 1037889865 /nfs/dbraw/zinc/88/98/65/1037889865.db2.gz VKRZKGYSPLHXRF-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000489186932 1037889869 /nfs/dbraw/zinc/88/98/69/1037889869.db2.gz VKRZKGYSPLHXRF-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO CCc1ccc([C@@H]([NH2+][C@@H]2CCC[C@@H]2F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000550931319 1039836171 /nfs/dbraw/zinc/83/61/71/1039836171.db2.gz QERGIUDKLKFCMM-JZXOWHBKSA-N 1 2 332.375 4.320 20 5 EIBDLO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1Cl ZINC000434829087 1039874544 /nfs/dbraw/zinc/87/45/44/1039874544.db2.gz FIOILUMDIRKESX-UHFFFAOYSA-N 1 2 345.786 4.412 20 5 EIBDLO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1Cl ZINC000434829087 1039874546 /nfs/dbraw/zinc/87/45/46/1039874546.db2.gz FIOILUMDIRKESX-UHFFFAOYSA-N 1 2 345.786 4.412 20 5 EIBDLO Cc1ccc2[nH+]cc(/C=C\c3ccc4c(cccc4[N+](=O)[O-])n3)n2c1 ZINC000434926330 1039925185 /nfs/dbraw/zinc/92/51/85/1039925185.db2.gz LGWYCAORXLFAKS-VURMDHGXSA-N 1 2 330.347 4.270 20 5 EIBDLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000539627759 1040631210 /nfs/dbraw/zinc/63/12/10/1040631210.db2.gz JMDUABIUDSVLTB-AWEZNQCLSA-N 1 2 326.400 4.153 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553993626 1040684909 /nfs/dbraw/zinc/68/49/09/1040684909.db2.gz VRWWZFLBYJVMOD-INIZCTEOSA-N 1 2 332.425 4.248 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553993626 1040684942 /nfs/dbraw/zinc/68/49/42/1040684942.db2.gz VRWWZFLBYJVMOD-INIZCTEOSA-N 1 2 332.425 4.248 20 5 EIBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000483649787 1040930657 /nfs/dbraw/zinc/93/06/57/1040930657.db2.gz HVRPLOTWZCPIEC-KIWPFMIBSA-N 1 2 344.415 4.029 20 5 EIBDLO Cc1ccc2c(c1)CC[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000483991103 1041088971 /nfs/dbraw/zinc/08/89/71/1041088971.db2.gz YIAHHVSYYCIQKY-UHFFFAOYSA-N 1 2 349.390 4.117 20 5 EIBDLO Cc1ccc2c(c1)CC[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000483991103 1041088984 /nfs/dbraw/zinc/08/89/84/1041088984.db2.gz YIAHHVSYYCIQKY-UHFFFAOYSA-N 1 2 349.390 4.117 20 5 EIBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(OC(F)(F)F)cc1 ZINC000515779410 1041093121 /nfs/dbraw/zinc/09/31/21/1041093121.db2.gz PINMAKCCQLUUIE-UHFFFAOYSA-N 1 2 346.330 4.187 20 5 EIBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(OC(F)(F)F)cc1 ZINC000515779410 1041093141 /nfs/dbraw/zinc/09/31/41/1041093141.db2.gz PINMAKCCQLUUIE-UHFFFAOYSA-N 1 2 346.330 4.187 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c(F)c1 ZINC000540391486 1041426212 /nfs/dbraw/zinc/42/62/12/1041426212.db2.gz QOFYAVYFLNDIBM-UHFFFAOYSA-N 1 2 336.313 4.181 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000540837181 1041696121 /nfs/dbraw/zinc/69/61/21/1041696121.db2.gz MCEWJGZRDAZQFX-HNNXBMFYSA-N 1 2 340.427 4.462 20 5 EIBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541070018 1041803408 /nfs/dbraw/zinc/80/34/08/1041803408.db2.gz PCGWCKYBQOCECU-QGZVFWFLSA-N 1 2 333.819 4.314 20 5 EIBDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541070018 1041803410 /nfs/dbraw/zinc/80/34/10/1041803410.db2.gz PCGWCKYBQOCECU-QGZVFWFLSA-N 1 2 333.819 4.314 20 5 EIBDLO O=[N+]([O-])c1cc(C[NH+]2CCSCC2)ccc1Oc1ccc(F)cc1 ZINC000506340861 1042328289 /nfs/dbraw/zinc/32/82/89/1042328289.db2.gz JCJNRGMGOVKSLS-UHFFFAOYSA-N 1 2 348.399 4.075 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000549928238 1042492421 /nfs/dbraw/zinc/49/24/21/1042492421.db2.gz KZIBETDKHFMAIS-IBGZPJMESA-N 1 2 344.386 4.461 20 5 EIBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000494409792 1043468393 /nfs/dbraw/zinc/46/83/93/1043468393.db2.gz CKXLQTQVAMEJCQ-UHFFFAOYSA-N 1 2 338.766 4.076 20 5 EIBDLO Cc1c(C[NH2+][C@H](C)c2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000184879296 1043740256 /nfs/dbraw/zinc/74/02/56/1043740256.db2.gz ABVDIAIACTYTCI-CQSZACIVSA-N 1 2 337.379 4.409 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000302633957 1045187993 /nfs/dbraw/zinc/18/79/93/1045187993.db2.gz HDVOPZWPTFWYCV-UHFFFAOYSA-N 1 2 328.759 4.046 20 5 EIBDLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000762927518 1045418470 /nfs/dbraw/zinc/41/84/70/1045418470.db2.gz KRQULCWLKPTIBJ-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000762927518 1045418480 /nfs/dbraw/zinc/41/84/80/1045418480.db2.gz KRQULCWLKPTIBJ-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)Cc1ccnc2ccccc12 ZINC000768215289 1045753991 /nfs/dbraw/zinc/75/39/91/1045753991.db2.gz RZVPUXIYYUXQSF-UHFFFAOYSA-N 1 2 341.798 4.428 20 5 EIBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)Cc1ccnc2ccccc12 ZINC000768215289 1045753982 /nfs/dbraw/zinc/75/39/82/1045753982.db2.gz RZVPUXIYYUXQSF-UHFFFAOYSA-N 1 2 341.798 4.428 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000536870146 1046835351 /nfs/dbraw/zinc/83/53/51/1046835351.db2.gz OHMBFSBQKHGVJK-AWEZNQCLSA-N 1 2 337.379 4.409 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)c(Cl)c1 ZINC000556507448 1047801072 /nfs/dbraw/zinc/80/10/72/1047801072.db2.gz CLETUXQRJANYTF-UHFFFAOYSA-N 1 2 336.741 4.413 20 5 EIBDLO CC(C)[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000815312810 1048415022 /nfs/dbraw/zinc/41/50/22/1048415022.db2.gz JXWYUKBNAQLINN-CQSZACIVSA-N 1 2 347.242 4.149 20 5 EIBDLO CC(C)[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000815312810 1048415028 /nfs/dbraw/zinc/41/50/28/1048415028.db2.gz JXWYUKBNAQLINN-CQSZACIVSA-N 1 2 347.242 4.149 20 5 EIBDLO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809971579 1048575845 /nfs/dbraw/zinc/57/58/45/1048575845.db2.gz HWAHPXFJXMDCBZ-ZETCQYMHSA-N 1 2 344.198 4.357 20 5 EIBDLO C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCS1 ZINC000809989039 1048591178 /nfs/dbraw/zinc/59/11/78/1048591178.db2.gz WISOSTPJCAOQSK-VIFPVBQESA-N 1 2 335.256 4.229 20 5 EIBDLO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCS1 ZINC000809989039 1048591194 /nfs/dbraw/zinc/59/11/94/1048591194.db2.gz WISOSTPJCAOQSK-VIFPVBQESA-N 1 2 335.256 4.229 20 5 EIBDLO C[C@@H]1SCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000609829451 1049349096 /nfs/dbraw/zinc/34/90/96/1049349096.db2.gz PCPRWNDDAMJZLU-LRDDRELGSA-N 1 2 334.466 4.335 20 5 EIBDLO C[C@@H]1SCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000609829451 1049349107 /nfs/dbraw/zinc/34/91/07/1049349107.db2.gz PCPRWNDDAMJZLU-LRDDRELGSA-N 1 2 334.466 4.335 20 5 EIBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cc2ccccc2o1 ZINC000182629946 1050778744 /nfs/dbraw/zinc/77/87/44/1050778744.db2.gz XROLWNIFXHVMPI-NSHDSACASA-N 1 2 337.335 4.333 20 5 EIBDLO CC(C)([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(F)F ZINC000619432090 1050785458 /nfs/dbraw/zinc/78/54/58/1050785458.db2.gz RWFNAIREAFZGAY-UHFFFAOYSA-N 1 2 326.368 4.457 20 5 EIBDLO Cc1cc(C)c2c(c1)CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001177033621 1052220605 /nfs/dbraw/zinc/22/06/05/1052220605.db2.gz MAELDNJJMVHPRP-UHFFFAOYSA-N 1 2 330.815 4.423 20 5 EIBDLO Cc1cc(C)c2c(c1)CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001177033621 1052220614 /nfs/dbraw/zinc/22/06/14/1052220614.db2.gz MAELDNJJMVHPRP-UHFFFAOYSA-N 1 2 330.815 4.423 20 5 EIBDLO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc([NH+]2CCC(C)CC2)cc1 ZINC001185461051 1052245548 /nfs/dbraw/zinc/24/55/48/1052245548.db2.gz SYDPSLVAFDAUSC-UHFFFAOYSA-N 1 2 343.431 4.100 20 5 EIBDLO CC(C)[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1F ZINC001195927462 1053530813 /nfs/dbraw/zinc/53/08/13/1053530813.db2.gz HEEMCFOZWFZICP-QGZVFWFLSA-N 1 2 338.329 4.499 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000339078377 1053863059 /nfs/dbraw/zinc/86/30/59/1053863059.db2.gz VFUOVNZPIHWJMK-GOSISDBHSA-N 1 2 326.396 4.322 20 5 EIBDLO CC(C)c1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001198845321 1054273266 /nfs/dbraw/zinc/27/32/66/1054273266.db2.gz YOFWKVJDCKIMLC-UHFFFAOYSA-N 1 2 328.387 4.416 20 5 EIBDLO CC(C)c1ccc2c(c1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001198845321 1054273289 /nfs/dbraw/zinc/27/32/89/1054273289.db2.gz YOFWKVJDCKIMLC-UHFFFAOYSA-N 1 2 328.387 4.416 20 5 EIBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000872073318 1054378274 /nfs/dbraw/zinc/37/82/74/1054378274.db2.gz OTOLTPPNUHBZHJ-QWRGUYRKSA-N 1 2 333.319 4.054 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000765765567 1054434879 /nfs/dbraw/zinc/43/48/79/1054434879.db2.gz GUDQBHQHHLXBKA-NSHDSACASA-N 1 2 343.408 4.064 20 5 EIBDLO C[C@@H]1CC[N@@H+]2[C@@H](C1)C(=O)N[C@@H]2c1c2ccccc2cc2ccccc21 ZINC000877852416 1055138348 /nfs/dbraw/zinc/13/83/48/1055138348.db2.gz BMKKRUPRSKFUGW-RFVSGWPVSA-N 1 2 330.431 4.222 20 5 EIBDLO C[C@@H]1CC[N@H+]2[C@@H](C1)C(=O)N[C@@H]2c1c2ccccc2cc2ccccc21 ZINC000877852416 1055138355 /nfs/dbraw/zinc/13/83/55/1055138355.db2.gz BMKKRUPRSKFUGW-RFVSGWPVSA-N 1 2 330.431 4.222 20 5 EIBDLO CC(C)([NH2+]Cc1c(Cl)cncc1Cl)c1ccccc1[N+](=O)[O-] ZINC000878643184 1055365287 /nfs/dbraw/zinc/36/52/87/1055365287.db2.gz DCKJYDHFUQJHMD-UHFFFAOYSA-N 1 2 340.210 4.322 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553992226 1055976820 /nfs/dbraw/zinc/97/68/20/1055976820.db2.gz KJTLQXZMQVVPQK-MRXNPFEDSA-N 1 2 332.425 4.248 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553992226 1055976838 /nfs/dbraw/zinc/97/68/38/1055976838.db2.gz KJTLQXZMQVVPQK-MRXNPFEDSA-N 1 2 332.425 4.248 20 5 EIBDLO c1c(CCNc2ncnc3cc4ccccc4cc32)[nH+]c2ccccn12 ZINC001169001875 1060570988 /nfs/dbraw/zinc/57/09/88/1060570988.db2.gz CCSZVKUTEKWMBM-UHFFFAOYSA-N 1 2 339.402 4.085 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC001169745162 1060923339 /nfs/dbraw/zinc/92/33/39/1060923339.db2.gz OIEFIOVNWHTPTJ-KRWDZBQOSA-N 1 2 334.778 4.319 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)c1 ZINC001169745162 1060923357 /nfs/dbraw/zinc/92/33/57/1060923357.db2.gz OIEFIOVNWHTPTJ-KRWDZBQOSA-N 1 2 334.778 4.319 20 5 EIBDLO Cc1cc(C)c(NC(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000229856280 242209479 /nfs/dbraw/zinc/20/94/79/242209479.db2.gz PFCXYYNVIZHBMT-ALCCZGGFSA-N 1 2 345.786 4.220 20 5 EIBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000274572059 1018814290 /nfs/dbraw/zinc/81/42/90/1018814290.db2.gz HLSHBEGDKJOFNA-RKDXNWHRSA-N 1 2 345.346 4.482 20 5 EIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cs1 ZINC000411997726 1021193247 /nfs/dbraw/zinc/19/32/47/1021193247.db2.gz JGTAKZVIWNOPHG-KRWDZBQOSA-N 1 2 344.436 4.010 20 5 EIBDLO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)cs1 ZINC000411997726 1021193264 /nfs/dbraw/zinc/19/32/64/1021193264.db2.gz JGTAKZVIWNOPHG-KRWDZBQOSA-N 1 2 344.436 4.010 20 5 EIBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000548074333 1021839099 /nfs/dbraw/zinc/83/90/99/1021839099.db2.gz NPTBNALPXCYWQH-NSHDSACASA-N 1 2 346.337 4.190 20 5 EIBDLO C[C@@H]([NH2+]Cc1cc(-c2cccs2)on1)c1cccc([N+](=O)[O-])c1 ZINC000180401292 1022610519 /nfs/dbraw/zinc/61/05/19/1022610519.db2.gz CHDZNVLSNQIUQN-LLVKDONJSA-N 1 2 329.381 4.162 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000177168041 1022880299 /nfs/dbraw/zinc/88/02/99/1022880299.db2.gz HHWCXJAJWVPHML-UHFFFAOYSA-N 1 2 337.832 4.264 20 5 EIBDLO O=C(C[C@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000177395732 1022921711 /nfs/dbraw/zinc/92/17/11/1022921711.db2.gz LDRGWLJJDOWEIG-GFCCVEGCSA-N 1 2 348.399 4.033 20 5 EIBDLO O=C(C[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000177395732 1022921722 /nfs/dbraw/zinc/92/17/22/1022921722.db2.gz LDRGWLJJDOWEIG-GFCCVEGCSA-N 1 2 348.399 4.033 20 5 EIBDLO O=[N+]([O-])c1cccc(F)c1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000584486593 1023435565 /nfs/dbraw/zinc/43/55/65/1023435565.db2.gz LKPJWVUBLKVFPU-UHFFFAOYSA-N 1 2 344.390 4.121 20 5 EIBDLO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000107904492 1023962917 /nfs/dbraw/zinc/96/29/17/1023962917.db2.gz KURWWECRIKMCRE-NSHDSACASA-N 1 2 347.802 4.057 20 5 EIBDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000430874345 1024153381 /nfs/dbraw/zinc/15/33/81/1024153381.db2.gz ZLEZPEGZBLKPLF-PDFOZTTASA-N 1 2 340.427 4.052 20 5 EIBDLO CCn1ccnc1[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000430874345 1024153398 /nfs/dbraw/zinc/15/33/98/1024153398.db2.gz ZLEZPEGZBLKPLF-PDFOZTTASA-N 1 2 340.427 4.052 20 5 EIBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccccc1 ZINC000610582990 1024159428 /nfs/dbraw/zinc/15/94/28/1024159428.db2.gz KAMOLPWCUULQJQ-GOSISDBHSA-N 1 2 337.379 4.319 20 5 EIBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1c1ccccc1 ZINC000610582990 1024159432 /nfs/dbraw/zinc/15/94/32/1024159432.db2.gz KAMOLPWCUULQJQ-GOSISDBHSA-N 1 2 337.379 4.319 20 5 EIBDLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1c(F)cccc1[N+](=O)[O-])CCC2 ZINC000111312296 1024365494 /nfs/dbraw/zinc/36/54/94/1024365494.db2.gz JHDUCVOIBUNERA-HNNXBMFYSA-N 1 2 335.404 4.008 20 5 EIBDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-])CCC2 ZINC000111312296 1024365516 /nfs/dbraw/zinc/36/55/16/1024365516.db2.gz JHDUCVOIBUNERA-HNNXBMFYSA-N 1 2 335.404 4.008 20 5 EIBDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000441445621 1027987864 /nfs/dbraw/zinc/98/78/64/1027987864.db2.gz YVXCMWFXSTUTIT-OXJNMPFZSA-N 1 2 340.423 4.174 20 5 EIBDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000441445621 1027987887 /nfs/dbraw/zinc/98/78/87/1027987887.db2.gz YVXCMWFXSTUTIT-OXJNMPFZSA-N 1 2 340.423 4.174 20 5 EIBDLO Cc1cccn2c(/C=C\c3ccc4cccc([N+](=O)[O-])c4n3)c[nH+]c12 ZINC000525561117 1029678053 /nfs/dbraw/zinc/67/80/53/1029678053.db2.gz GYKHJAQMKBLNIK-KTKRTIGZSA-N 1 2 330.347 4.270 20 5 EIBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H](Nc1ccc(N3CCCC3)[nH+]c1)CCC2 ZINC000447593929 1030196563 /nfs/dbraw/zinc/19/65/63/1030196563.db2.gz VXCGZZJRFPYFKP-SFHVURJKSA-N 1 2 338.411 4.080 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccnn2C2CCCC2)C2CC2)c1 ZINC000449008357 1031354550 /nfs/dbraw/zinc/35/45/50/1031354550.db2.gz CRXRACZMLXFMHI-UHFFFAOYSA-N 1 2 340.427 4.071 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccnn2C2CCCC2)C2CC2)c1 ZINC000449008357 1031354560 /nfs/dbraw/zinc/35/45/60/1031354560.db2.gz CRXRACZMLXFMHI-UHFFFAOYSA-N 1 2 340.427 4.071 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000595023762 1035510621 /nfs/dbraw/zinc/51/06/21/1035510621.db2.gz SVDMORJOQPQBNN-LBPRGKRZSA-N 1 2 347.440 4.098 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000595021403 1035511236 /nfs/dbraw/zinc/51/12/36/1035511236.db2.gz DEUHKSJHEBAWSX-ZUZCIYMTSA-N 1 2 348.786 4.041 20 5 EIBDLO Cc1noc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595531296 1035693350 /nfs/dbraw/zinc/69/33/50/1035693350.db2.gz WDHJTUFMKYKKII-QGZVFWFLSA-N 1 2 327.384 4.009 20 5 EIBDLO Cc1noc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595531296 1035693354 /nfs/dbraw/zinc/69/33/54/1035693354.db2.gz WDHJTUFMKYKKII-QGZVFWFLSA-N 1 2 327.384 4.009 20 5 EIBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000513753595 1036597939 /nfs/dbraw/zinc/59/79/39/1036597939.db2.gz DJNVZDZQCRCXIE-QMWVSLDXSA-N 1 2 338.407 4.070 20 5 EIBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000513753595 1036597984 /nfs/dbraw/zinc/59/79/84/1036597984.db2.gz DJNVZDZQCRCXIE-QMWVSLDXSA-N 1 2 338.407 4.070 20 5 EIBDLO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000503573261 1037824530 /nfs/dbraw/zinc/82/45/30/1037824530.db2.gz XPFAQDQDAQEPCQ-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO COc1ccc(C[N@@H+](C)Cc2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000503573261 1037824533 /nfs/dbraw/zinc/82/45/33/1037824533.db2.gz XPFAQDQDAQEPCQ-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000122039945 1038864262 /nfs/dbraw/zinc/86/42/62/1038864262.db2.gz VRKKRQYLGNOHGB-GFCCVEGCSA-N 1 2 349.456 4.124 20 5 EIBDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000122039945 1038864264 /nfs/dbraw/zinc/86/42/64/1038864264.db2.gz VRKKRQYLGNOHGB-GFCCVEGCSA-N 1 2 349.456 4.124 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccc(F)cc3o2)cc1[N+](=O)[O-] ZINC000539379283 1039035236 /nfs/dbraw/zinc/03/52/36/1039035236.db2.gz MJOAESDWPQGGDT-LLVKDONJSA-N 1 2 329.331 4.034 20 5 EIBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccc(F)c1 ZINC000089883393 1040494231 /nfs/dbraw/zinc/49/42/31/1040494231.db2.gz XPLDFKXPGMKDDU-UHFFFAOYSA-N 1 2 341.342 4.021 20 5 EIBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1cccc(F)c1 ZINC000089883393 1040494241 /nfs/dbraw/zinc/49/42/41/1040494241.db2.gz XPLDFKXPGMKDDU-UHFFFAOYSA-N 1 2 341.342 4.021 20 5 EIBDLO CCCOc1ccc(C(C)(C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000515314513 1040660281 /nfs/dbraw/zinc/66/02/81/1040660281.db2.gz BSFFWCFTIFWLES-UHFFFAOYSA-N 1 2 344.411 4.114 20 5 EIBDLO O=[N+]([O-])c1cc(C[NH2+][C@H]2COc3c2ccc(Cl)c3Cl)cs1 ZINC000538411333 1041328850 /nfs/dbraw/zinc/32/88/50/1041328850.db2.gz DYSWMASIHIWIOH-JTQLQIEISA-N 1 2 345.207 4.186 20 5 EIBDLO CC(C)[N@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000506415891 1042397321 /nfs/dbraw/zinc/39/73/21/1042397321.db2.gz KXOBVYWLWROHDX-UHFFFAOYSA-N 1 2 340.326 4.200 20 5 EIBDLO CC(C)[N@@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000506415891 1042397324 /nfs/dbraw/zinc/39/73/24/1042397324.db2.gz KXOBVYWLWROHDX-UHFFFAOYSA-N 1 2 340.326 4.200 20 5 EIBDLO C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000030152295 1042492431 /nfs/dbraw/zinc/49/24/31/1042492431.db2.gz SSKXHXCTPVDXJM-CXAGYDPISA-N 1 2 326.396 4.476 20 5 EIBDLO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000030152295 1042492435 /nfs/dbraw/zinc/49/24/35/1042492435.db2.gz SSKXHXCTPVDXJM-CXAGYDPISA-N 1 2 326.396 4.476 20 5 EIBDLO CCCc1nc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cs1 ZINC000518568668 1042575740 /nfs/dbraw/zinc/57/57/40/1042575740.db2.gz IGXHMZTXMOFPJO-UHFFFAOYSA-N 1 2 333.457 4.414 20 5 EIBDLO CCCc1nc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cs1 ZINC000518568668 1042575744 /nfs/dbraw/zinc/57/57/44/1042575744.db2.gz IGXHMZTXMOFPJO-UHFFFAOYSA-N 1 2 333.457 4.414 20 5 EIBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761516163 1042874371 /nfs/dbraw/zinc/87/43/71/1042874371.db2.gz ZRDOJLLFZAYNNT-KRWDZBQOSA-N 1 2 333.819 4.314 20 5 EIBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761516163 1042874373 /nfs/dbraw/zinc/87/43/73/1042874373.db2.gz ZRDOJLLFZAYNNT-KRWDZBQOSA-N 1 2 333.819 4.314 20 5 EIBDLO Cc1csc([C@H](C)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000727836730 1043311092 /nfs/dbraw/zinc/31/10/92/1043311092.db2.gz DPZYXFODMLDIIO-LBPRGKRZSA-N 1 2 343.408 4.471 20 5 EIBDLO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000734839708 1044694908 /nfs/dbraw/zinc/69/49/08/1044694908.db2.gz IMZMFTDGXMBCAG-GOSISDBHSA-N 1 2 346.427 4.332 20 5 EIBDLO Cc1ccc([C@H]2CSCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000734839708 1044694912 /nfs/dbraw/zinc/69/49/12/1044694912.db2.gz IMZMFTDGXMBCAG-GOSISDBHSA-N 1 2 346.427 4.332 20 5 EIBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000154474999 1044800316 /nfs/dbraw/zinc/80/03/16/1044800316.db2.gz IBAALQMSTPDHRP-UHFFFAOYSA-N 1 2 339.420 4.350 20 5 EIBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1ccccc1 ZINC000154474999 1044800318 /nfs/dbraw/zinc/80/03/18/1044800318.db2.gz IBAALQMSTPDHRP-UHFFFAOYSA-N 1 2 339.420 4.350 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2coc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000155020103 1044857587 /nfs/dbraw/zinc/85/75/87/1044857587.db2.gz IOVKEVLBFXOZHQ-LBPRGKRZSA-N 1 2 343.408 4.471 20 5 EIBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cc2ccccc2o1 ZINC000508991252 1044882785 /nfs/dbraw/zinc/88/27/85/1044882785.db2.gz MXNBKFPKSNJRBF-JTQLQIEISA-N 1 2 332.306 4.470 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cc(C2CC2)no1 ZINC000895765496 1044883215 /nfs/dbraw/zinc/88/32/15/1044883215.db2.gz NSYJOXLMUOUWEQ-UHFFFAOYSA-N 1 2 342.182 4.057 20 5 EIBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768548411 1045822330 /nfs/dbraw/zinc/82/23/30/1045822330.db2.gz BZNAWDCZFPUOLL-INIZCTEOSA-N 1 2 333.819 4.314 20 5 EIBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768548411 1045822326 /nfs/dbraw/zinc/82/23/26/1045822326.db2.gz BZNAWDCZFPUOLL-INIZCTEOSA-N 1 2 333.819 4.314 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnc(C2CC2)s1)C1CC1 ZINC000154322276 1046813365 /nfs/dbraw/zinc/81/33/65/1046813365.db2.gz BQRORBFODCMNEX-UHFFFAOYSA-N 1 2 329.425 4.093 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnc(C2CC2)s1)C1CC1 ZINC000154322276 1046813366 /nfs/dbraw/zinc/81/33/66/1046813366.db2.gz BQRORBFODCMNEX-UHFFFAOYSA-N 1 2 329.425 4.093 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000154792077 1047598037 /nfs/dbraw/zinc/59/80/37/1047598037.db2.gz JGLQXRYQERKZHT-CQSZACIVSA-N 1 2 337.379 4.409 20 5 EIBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000747528924 1048113021 /nfs/dbraw/zinc/11/30/21/1048113021.db2.gz QYNXBYSFNVSFPY-UHFFFAOYSA-N 1 2 347.346 4.053 20 5 EIBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000747528924 1048113030 /nfs/dbraw/zinc/11/30/30/1048113030.db2.gz QYNXBYSFNVSFPY-UHFFFAOYSA-N 1 2 347.346 4.053 20 5 EIBDLO CC[N@@H+](Cc1ccc2ccccc2c1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000919953046 1048336835 /nfs/dbraw/zinc/33/68/35/1048336835.db2.gz DVBVIFAFNHVGHP-UHFFFAOYSA-N 1 2 338.411 4.041 20 5 EIBDLO CC[N@H+](Cc1ccc2ccccc2c1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000919953046 1048336851 /nfs/dbraw/zinc/33/68/51/1048336851.db2.gz DVBVIFAFNHVGHP-UHFFFAOYSA-N 1 2 338.411 4.041 20 5 EIBDLO C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809968088 1048575309 /nfs/dbraw/zinc/57/53/09/1048575309.db2.gz MXOVLXILCBPTBK-JTQLQIEISA-N 1 2 340.210 4.490 20 5 EIBDLO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809968088 1048575319 /nfs/dbraw/zinc/57/53/19/1048575319.db2.gz MXOVLXILCBPTBK-JTQLQIEISA-N 1 2 340.210 4.490 20 5 EIBDLO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCS1 ZINC000809989038 1048592068 /nfs/dbraw/zinc/59/20/68/1048592068.db2.gz WISOSTPJCAOQSK-SECBINFHSA-N 1 2 335.256 4.229 20 5 EIBDLO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCS1 ZINC000809989038 1048592074 /nfs/dbraw/zinc/59/20/74/1048592074.db2.gz WISOSTPJCAOQSK-SECBINFHSA-N 1 2 335.256 4.229 20 5 EIBDLO C[C@@H]1SCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000609829471 1049348236 /nfs/dbraw/zinc/34/82/36/1049348236.db2.gz VUHAKGJIGOODEN-SCLBCKFNSA-N 1 2 346.427 4.413 20 5 EIBDLO C[C@@H]1SCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000609829471 1049348246 /nfs/dbraw/zinc/34/82/46/1049348246.db2.gz VUHAKGJIGOODEN-SCLBCKFNSA-N 1 2 346.427 4.413 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2cc(-c3cccs3)on2)cc1[N+](=O)[O-] ZINC000181830712 1050348189 /nfs/dbraw/zinc/34/81/89/1050348189.db2.gz ARMGWLIVKSHEBI-GFCCVEGCSA-N 1 2 343.408 4.471 20 5 EIBDLO CNC(=O)c1cccc(Nc2ccc3[nH+]c4ccccc4cc3c2)c1 ZINC001174142131 1050783649 /nfs/dbraw/zinc/78/36/49/1050783649.db2.gz OTKSZLYBLPRUDQ-UHFFFAOYSA-N 1 2 327.387 4.491 20 5 EIBDLO COc1ccc(C[N@@H+]2CCc3ccc(Cl)c(C)c3C2)cc1[N+](=O)[O-] ZINC001175577230 1051675235 /nfs/dbraw/zinc/67/52/35/1051675235.db2.gz IGJGXVXWGGHEHR-UHFFFAOYSA-N 1 2 346.814 4.124 20 5 EIBDLO COc1ccc(C[N@H+]2CCc3ccc(Cl)c(C)c3C2)cc1[N+](=O)[O-] ZINC001175577230 1051675241 /nfs/dbraw/zinc/67/52/41/1051675241.db2.gz IGJGXVXWGGHEHR-UHFFFAOYSA-N 1 2 346.814 4.124 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000850448575 1053224350 /nfs/dbraw/zinc/22/43/50/1053224350.db2.gz BQEGGAHGVWSKTB-CQSZACIVSA-N 1 2 341.411 4.377 20 5 EIBDLO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2cccnc2F)c2ccccc2)c1 ZINC000794828740 1053439539 /nfs/dbraw/zinc/43/95/39/1053439539.db2.gz NRIIAZQPDQPBBK-SFHVURJKSA-N 1 2 337.354 4.008 20 5 EIBDLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC001195650901 1053456150 /nfs/dbraw/zinc/45/61/50/1053456150.db2.gz RVKGGEBTTMNSFT-ZDUSSCGKSA-N 1 2 338.835 4.172 20 5 EIBDLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC001195650901 1053456157 /nfs/dbraw/zinc/45/61/57/1053456157.db2.gz RVKGGEBTTMNSFT-ZDUSSCGKSA-N 1 2 338.835 4.172 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001196003567 1053551689 /nfs/dbraw/zinc/55/16/89/1053551689.db2.gz BBOKPFSDVPGAPO-SFHVURJKSA-N 1 2 342.395 4.314 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC001196003567 1053551698 /nfs/dbraw/zinc/55/16/98/1053551698.db2.gz BBOKPFSDVPGAPO-SFHVURJKSA-N 1 2 342.395 4.314 20 5 EIBDLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775866310 1054177630 /nfs/dbraw/zinc/17/76/30/1054177630.db2.gz FNPZMCZXBFFWEL-BXKDBHETSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775866310 1054177636 /nfs/dbraw/zinc/17/76/36/1054177636.db2.gz FNPZMCZXBFFWEL-BXKDBHETSA-N 1 2 336.741 4.411 20 5 EIBDLO COc1ccc(F)cc1[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872025993 1054339984 /nfs/dbraw/zinc/33/99/84/1054339984.db2.gz XNMBSQYGKAJVQB-QWRGUYRKSA-N 1 2 336.338 4.293 20 5 EIBDLO COc1ccc(F)cc1[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872025992 1054341782 /nfs/dbraw/zinc/34/17/82/1054341782.db2.gz XNMBSQYGKAJVQB-MNOVXSKESA-N 1 2 336.338 4.293 20 5 EIBDLO C[C@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872026584 1054343088 /nfs/dbraw/zinc/34/30/88/1054343088.db2.gz BOOHBEIABDQYKZ-XHDPSFHLSA-N 1 2 348.349 4.438 20 5 EIBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(C(C)C)no1 ZINC000872033368 1054350580 /nfs/dbraw/zinc/35/05/80/1054350580.db2.gz CRBFXZNHMPTAHY-LLVKDONJSA-N 1 2 335.429 4.279 20 5 EIBDLO CCc1cnc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)s1 ZINC000872037696 1054351992 /nfs/dbraw/zinc/35/19/92/1054351992.db2.gz FCWPBXHWNFJTON-JTQLQIEISA-N 1 2 337.470 4.186 20 5 EIBDLO C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872044647 1054358456 /nfs/dbraw/zinc/35/84/56/1054358456.db2.gz CVWBDALMYAEWCZ-YGRLFVJLSA-N 1 2 334.322 4.047 20 5 EIBDLO C[C@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087187 1054384783 /nfs/dbraw/zinc/38/47/83/1054384783.db2.gz GWTRNTBOTUYSGA-KPZWWZAWSA-N 1 2 329.375 4.321 20 5 EIBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000872113778 1054393765 /nfs/dbraw/zinc/39/37/65/1054393765.db2.gz SPAXNOIZJVBIMN-QMMMGPOBSA-N 1 2 343.861 4.277 20 5 EIBDLO C[C@@H]1CC[N@@H+]2[C@H](C1)C(=O)N[C@H]2c1c2ccccc2cc2ccccc21 ZINC000877852419 1055138148 /nfs/dbraw/zinc/13/81/48/1055138148.db2.gz BMKKRUPRSKFUGW-YFZFPPMRSA-N 1 2 330.431 4.222 20 5 EIBDLO C[C@@H]1CC[N@H+]2[C@H](C1)C(=O)N[C@H]2c1c2ccccc2cc2ccccc21 ZINC000877852419 1055138154 /nfs/dbraw/zinc/13/81/54/1055138154.db2.gz BMKKRUPRSKFUGW-YFZFPPMRSA-N 1 2 330.431 4.222 20 5 EIBDLO c1c(CCNc2cc3cccnc3c3ncccc23)[nH+]c2ccccn12 ZINC001169009233 1060576243 /nfs/dbraw/zinc/57/62/43/1060576243.db2.gz PLBGTLSLRNAFBP-UHFFFAOYSA-N 1 2 339.402 4.085 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000430204379 1019276625 /nfs/dbraw/zinc/27/66/25/1019276625.db2.gz RITVHTIEYOIJLD-UHFFFAOYSA-N 1 2 348.349 4.051 20 5 EIBDLO C[N@H+](CCc1cccc2ccccc21)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001167263494 1020722003 /nfs/dbraw/zinc/72/20/03/1020722003.db2.gz ANBMXCTWOFFKFL-UHFFFAOYSA-N 1 2 336.391 4.128 20 5 EIBDLO C[N@@H+](CCc1cccc2ccccc21)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001167263494 1020722018 /nfs/dbraw/zinc/72/20/18/1020722018.db2.gz ANBMXCTWOFFKFL-UHFFFAOYSA-N 1 2 336.391 4.128 20 5 EIBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000548074332 1021838372 /nfs/dbraw/zinc/83/83/72/1021838372.db2.gz NPTBNALPXCYWQH-LLVKDONJSA-N 1 2 346.337 4.190 20 5 EIBDLO C[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000180395968 1022624773 /nfs/dbraw/zinc/62/47/73/1022624773.db2.gz IGHOOLWGJZQJBD-LBPRGKRZSA-N 1 2 341.342 4.240 20 5 EIBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ncc(-c2ccccc2)o1 ZINC000376636353 1023246069 /nfs/dbraw/zinc/24/60/69/1023246069.db2.gz HEYOOPLQXYVDDV-GFCCVEGCSA-N 1 2 341.342 4.240 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3c3cccc(F)c3)nc2c1 ZINC000610581145 1024115597 /nfs/dbraw/zinc/11/55/97/1024115597.db2.gz CAKVBNXWWMCUBF-INIZCTEOSA-N 1 2 341.342 4.212 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3c3cccc(F)c3)nc2c1 ZINC000610581145 1024115620 /nfs/dbraw/zinc/11/56/20/1024115620.db2.gz CAKVBNXWWMCUBF-INIZCTEOSA-N 1 2 341.342 4.212 20 5 EIBDLO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](c2ccco2)C1 ZINC000610582456 1024126246 /nfs/dbraw/zinc/12/62/46/1024126246.db2.gz JQJHSKUIMHUOAJ-DOMZBBRYSA-N 1 2 341.367 4.302 20 5 EIBDLO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](c2ccco2)C1 ZINC000610582456 1024126292 /nfs/dbraw/zinc/12/62/92/1024126292.db2.gz JQJHSKUIMHUOAJ-DOMZBBRYSA-N 1 2 341.367 4.302 20 5 EIBDLO COc1ccccc1C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000522538045 1027978956 /nfs/dbraw/zinc/97/89/56/1027978956.db2.gz TYDOEIJPYMHMFC-UHFFFAOYSA-N 1 2 346.814 4.421 20 5 EIBDLO COc1ccccc1C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000522538045 1027978967 /nfs/dbraw/zinc/97/89/67/1027978967.db2.gz TYDOEIJPYMHMFC-UHFFFAOYSA-N 1 2 346.814 4.421 20 5 EIBDLO C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522538148 1027979009 /nfs/dbraw/zinc/97/90/09/1027979009.db2.gz URULYMRFHRRHTG-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000522538148 1027979033 /nfs/dbraw/zinc/97/90/33/1027979033.db2.gz URULYMRFHRRHTG-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000583219322 1028275155 /nfs/dbraw/zinc/27/51/55/1028275155.db2.gz XRLKJRVLINGDBZ-KRWDZBQOSA-N 1 2 332.787 4.195 20 5 EIBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611800189 1029523831 /nfs/dbraw/zinc/52/38/31/1029523831.db2.gz UPOPRVLCECCZBK-ONGXEEELSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611800189 1029523836 /nfs/dbraw/zinc/52/38/36/1029523836.db2.gz UPOPRVLCECCZBK-ONGXEEELSA-N 1 2 336.741 4.411 20 5 EIBDLO Cc1cc(C)c(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)c[nH+]1 ZINC000450912944 1030100655 /nfs/dbraw/zinc/10/06/55/1030100655.db2.gz UBNWYPIJKZSCRH-UHFFFAOYSA-N 1 2 329.400 4.396 20 5 EIBDLO O=C(C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-])c1cccs1 ZINC000176909931 1030416349 /nfs/dbraw/zinc/41/63/49/1030416349.db2.gz CMMKSKNAKCXQJF-AWEZNQCLSA-N 1 2 348.399 4.033 20 5 EIBDLO O=C(C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-])c1cccs1 ZINC000176909931 1030416369 /nfs/dbraw/zinc/41/63/69/1030416369.db2.gz CMMKSKNAKCXQJF-AWEZNQCLSA-N 1 2 348.399 4.033 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C2CC2)cc1 ZINC000179317651 1030898586 /nfs/dbraw/zinc/89/85/86/1030898586.db2.gz UIPSRIKOJMTVNM-UHFFFAOYSA-N 1 2 348.406 4.150 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C2CC2)cc1 ZINC000179317651 1030898592 /nfs/dbraw/zinc/89/85/92/1030898592.db2.gz UIPSRIKOJMTVNM-UHFFFAOYSA-N 1 2 348.406 4.150 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000531440434 1031256359 /nfs/dbraw/zinc/25/63/59/1031256359.db2.gz BSYRBAJJAKLPSF-GOSISDBHSA-N 1 2 341.411 4.114 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000531440434 1031256374 /nfs/dbraw/zinc/25/63/74/1031256374.db2.gz BSYRBAJJAKLPSF-GOSISDBHSA-N 1 2 341.411 4.114 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000453228639 1031747916 /nfs/dbraw/zinc/74/79/16/1031747916.db2.gz ANRQRKWTSZFGGM-DTWKUNHWSA-N 1 2 345.346 4.482 20 5 EIBDLO Cc1noc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)c1[N+](=O)[O-] ZINC000595421842 1035677240 /nfs/dbraw/zinc/67/72/40/1035677240.db2.gz WAKSJBOHBBIBAF-INIZCTEOSA-N 1 2 333.363 4.051 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c(F)c1 ZINC000491136993 1035810439 /nfs/dbraw/zinc/81/04/39/1035810439.db2.gz NARXSFADJZCYBR-KRWDZBQOSA-N 1 2 332.400 4.024 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)c(F)c1 ZINC000491136993 1035810444 /nfs/dbraw/zinc/81/04/44/1035810444.db2.gz NARXSFADJZCYBR-KRWDZBQOSA-N 1 2 332.400 4.024 20 5 EIBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NCc1ccccc1-n1cc[nH+]c1 ZINC000589112971 1036672011 /nfs/dbraw/zinc/67/20/11/1036672011.db2.gz OGZBBNNFAYTMQT-UHFFFAOYSA-N 1 2 344.321 4.330 20 5 EIBDLO Cc1c(C[N@H+](Cc2ccc(F)cc2F)C2CC2)cccc1[N+](=O)[O-] ZINC000603855075 1037049310 /nfs/dbraw/zinc/04/93/10/1037049310.db2.gz AIOHCVRTJZYNNL-UHFFFAOYSA-N 1 2 332.350 4.346 20 5 EIBDLO Cc1c(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cccc1[N+](=O)[O-] ZINC000603855075 1037049330 /nfs/dbraw/zinc/04/93/30/1037049330.db2.gz AIOHCVRTJZYNNL-UHFFFAOYSA-N 1 2 332.350 4.346 20 5 EIBDLO Cc1ccc(-c2nc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)cs2)o1 ZINC000539280363 1038931119 /nfs/dbraw/zinc/93/11/19/1038931119.db2.gz YODWWSUABRSWGS-GFCCVEGCSA-N 1 2 343.408 4.471 20 5 EIBDLO C[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000429780025 1039728406 /nfs/dbraw/zinc/72/84/06/1039728406.db2.gz PBGXMCCRSXBSOZ-MRVPVSSYSA-N 1 2 328.265 4.002 20 5 EIBDLO Cc1ccc2[nH+]cc(/C=C/c3ccc4cccc([N+](=O)[O-])c4n3)n2c1 ZINC000434925804 1039926720 /nfs/dbraw/zinc/92/67/20/1039926720.db2.gz MUTPKXQQAYYQSA-CMDGGOBGSA-N 1 2 330.347 4.270 20 5 EIBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000505606282 1040077021 /nfs/dbraw/zinc/07/70/21/1040077021.db2.gz HFFMWLFPFUWVIH-UHFFFAOYSA-N 1 2 330.334 4.162 20 5 EIBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000505606282 1040077039 /nfs/dbraw/zinc/07/70/39/1040077039.db2.gz HFFMWLFPFUWVIH-UHFFFAOYSA-N 1 2 330.334 4.162 20 5 EIBDLO CCc1ccc([N+](=O)[O-])cc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000517002120 1041838530 /nfs/dbraw/zinc/83/85/30/1041838530.db2.gz GCVTYERWJBUUMD-UHFFFAOYSA-N 1 2 336.395 4.014 20 5 EIBDLO CC(C)CCc1nc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000271775900 1042364567 /nfs/dbraw/zinc/36/45/67/1042364567.db2.gz RJBGHTHBHHZDQO-ZDUSSCGKSA-N 1 2 333.457 4.491 20 5 EIBDLO COc1cc(C[NH2+][C@H](C)c2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] ZINC000543514948 1043217156 /nfs/dbraw/zinc/21/71/56/1043217156.db2.gz ODZXBZQNDPSICV-LLVKDONJSA-N 1 2 349.456 4.208 20 5 EIBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000611378895 1045291968 /nfs/dbraw/zinc/29/19/68/1045291968.db2.gz YRCZHRKIMLLOHY-JTQLQIEISA-N 1 2 340.301 4.186 20 5 EIBDLO C[C@]12CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]1C2(Cl)Cl ZINC000793616501 1046313376 /nfs/dbraw/zinc/31/33/76/1046313376.db2.gz VXGMYPZWPNUBHE-OLZOCXBDSA-N 1 2 349.645 4.264 20 5 EIBDLO C[C@]12CC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]1C2(Cl)Cl ZINC000793616501 1046313391 /nfs/dbraw/zinc/31/33/91/1046313391.db2.gz VXGMYPZWPNUBHE-OLZOCXBDSA-N 1 2 349.645 4.264 20 5 EIBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1c(F)cccc1Cl ZINC000788488748 1047202331 /nfs/dbraw/zinc/20/23/31/1047202331.db2.gz LWUFBICIFBHCNS-VIFPVBQESA-N 1 2 326.730 4.377 20 5 EIBDLO CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000824820162 1047963530 /nfs/dbraw/zinc/96/35/30/1047963530.db2.gz ASAKERYMVFINCV-CYBMUJFWSA-N 1 2 347.242 4.149 20 5 EIBDLO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000824820162 1047963555 /nfs/dbraw/zinc/96/35/55/1047963555.db2.gz ASAKERYMVFINCV-CYBMUJFWSA-N 1 2 347.242 4.149 20 5 EIBDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000805748252 1049511925 /nfs/dbraw/zinc/51/19/25/1049511925.db2.gz BPLBCCWCTBBYMR-YVEFUNNKSA-N 1 2 331.803 4.226 20 5 EIBDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000805748252 1049511941 /nfs/dbraw/zinc/51/19/41/1049511941.db2.gz BPLBCCWCTBBYMR-YVEFUNNKSA-N 1 2 331.803 4.226 20 5 EIBDLO CCSCc1cc[nH+]c(NCc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001178192037 1050400478 /nfs/dbraw/zinc/40/04/78/1050400478.db2.gz QBWYORFGWQLADI-UHFFFAOYSA-N 1 2 331.441 4.472 20 5 EIBDLO Cn1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(C2CCCCC2)n1 ZINC000182991738 1050929512 /nfs/dbraw/zinc/92/95/12/1050929512.db2.gz RWOBQIQVTIZTCO-UHFFFAOYSA-N 1 2 342.443 4.008 20 5 EIBDLO Cn1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C2CCCCC2)n1 ZINC000182991738 1050929526 /nfs/dbraw/zinc/92/95/26/1050929526.db2.gz RWOBQIQVTIZTCO-UHFFFAOYSA-N 1 2 342.443 4.008 20 5 EIBDLO Cc1csc([C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)n1 ZINC000183490040 1051135500 /nfs/dbraw/zinc/13/55/00/1051135500.db2.gz RWCJYFGPZHQHRP-AWEZNQCLSA-N 1 2 337.832 4.254 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2Cc3ccccc3OC3(CCC3)C2)c(F)c1 ZINC001176051942 1051897208 /nfs/dbraw/zinc/89/72/08/1051897208.db2.gz KMJKJTYWNRBFMW-UHFFFAOYSA-N 1 2 342.370 4.051 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+]2Cc3ccccc3OC3(CCC3)C2)c(F)c1 ZINC001176051942 1051897214 /nfs/dbraw/zinc/89/72/14/1051897214.db2.gz KMJKJTYWNRBFMW-UHFFFAOYSA-N 1 2 342.370 4.051 20 5 EIBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1Cl ZINC001194641237 1052183894 /nfs/dbraw/zinc/18/38/94/1052183894.db2.gz RXIFHYDHGNHMBD-SECBINFHSA-N 1 2 326.730 4.377 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000850425038 1053200393 /nfs/dbraw/zinc/20/03/93/1053200393.db2.gz IWUGMDXFZCYSIB-MNOVXSKESA-N 1 2 336.338 4.293 20 5 EIBDLO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nccs1 ZINC000339083708 1053948274 /nfs/dbraw/zinc/94/82/74/1053948274.db2.gz NTOHLKKSDGQOSR-LBPRGKRZSA-N 1 2 345.346 4.311 20 5 EIBDLO CC(C)c1ccc2c(c1)CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001198844373 1054275646 /nfs/dbraw/zinc/27/56/46/1054275646.db2.gz LCJAPJPBOKSPPQ-UHFFFAOYSA-N 1 2 328.387 4.416 20 5 EIBDLO CC(C)c1ccc2c(c1)CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001198844373 1054275667 /nfs/dbraw/zinc/27/56/67/1054275667.db2.gz LCJAPJPBOKSPPQ-UHFFFAOYSA-N 1 2 328.387 4.416 20 5 EIBDLO COc1ccc(F)cc1[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872025991 1054342337 /nfs/dbraw/zinc/34/23/37/1054342337.db2.gz XNMBSQYGKAJVQB-GHMZBOCLSA-N 1 2 336.338 4.293 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000872050350 1054361885 /nfs/dbraw/zinc/36/18/85/1054361885.db2.gz ZDAYLWJKHJIIEB-RYUDHWBXSA-N 1 2 347.346 4.362 20 5 EIBDLO COc1ccc(C2([NH2+][C@@H](C)c3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000872054839 1054366417 /nfs/dbraw/zinc/36/64/17/1054366417.db2.gz CDZNECBJJGGICJ-LBPRGKRZSA-N 1 2 330.359 4.082 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC001169553735 1060855050 /nfs/dbraw/zinc/85/50/50/1060855050.db2.gz DMGZWLHHZXLAOI-VQIMIIECSA-N 1 2 340.423 4.192 20 5 EIBDLO Cc1c(C[N@H+](C)Cc2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000051590055 1032878911 /nfs/dbraw/zinc/87/89/11/1032878911.db2.gz IFFWEJDZJUCYAB-UHFFFAOYSA-N 1 2 327.409 4.145 20 5 EIBDLO Cc1c(C[N@@H+](C)Cc2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000051590055 1032878921 /nfs/dbraw/zinc/87/89/21/1032878921.db2.gz IFFWEJDZJUCYAB-UHFFFAOYSA-N 1 2 327.409 4.145 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)cc1[N+](=O)[O-] ZINC000157182471 1023348069 /nfs/dbraw/zinc/34/80/69/1023348069.db2.gz UEMXQLLFLGYGBV-CYBMUJFWSA-N 1 2 336.395 4.006 20 5 EIBDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083188278 1023839692 /nfs/dbraw/zinc/83/96/92/1023839692.db2.gz WOBDSGOYQANMJB-CQSZACIVSA-N 1 2 343.408 4.307 20 5 EIBDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083188278 1023839696 /nfs/dbraw/zinc/83/96/96/1023839696.db2.gz WOBDSGOYQANMJB-CQSZACIVSA-N 1 2 343.408 4.307 20 5 EIBDLO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](c2ccco2)C1 ZINC000610582457 1024128726 /nfs/dbraw/zinc/12/87/26/1024128726.db2.gz JQJHSKUIMHUOAJ-IUODEOHRSA-N 1 2 341.367 4.302 20 5 EIBDLO C[C@@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](c2ccco2)C1 ZINC000610582457 1024128749 /nfs/dbraw/zinc/12/87/49/1024128749.db2.gz JQJHSKUIMHUOAJ-IUODEOHRSA-N 1 2 341.367 4.302 20 5 EIBDLO CCC[C@H]([NH2+][C@H](C)c1nnc([C@H](C)CC)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000277266132 1025427285 /nfs/dbraw/zinc/42/72/85/1025427285.db2.gz PJMNHVPBJLCPBU-IOASZLSFSA-N 1 2 345.447 4.418 20 5 EIBDLO Cc1ccc(C[N@H+](C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000120787226 1025853645 /nfs/dbraw/zinc/85/36/45/1025853645.db2.gz IWUKYLFWMQXHLD-UHFFFAOYSA-N 1 2 327.409 4.145 20 5 EIBDLO Cc1ccc(C[N@@H+](C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000120787226 1025853647 /nfs/dbraw/zinc/85/36/47/1025853647.db2.gz IWUKYLFWMQXHLD-UHFFFAOYSA-N 1 2 327.409 4.145 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000507169854 1026682112 /nfs/dbraw/zinc/68/21/12/1026682112.db2.gz YAXKGUJNHGLTKQ-UHFFFAOYSA-N 1 2 336.313 4.177 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cc(F)c(F)c(F)c1)C1CC1 ZINC000507169854 1026682115 /nfs/dbraw/zinc/68/21/15/1026682115.db2.gz YAXKGUJNHGLTKQ-UHFFFAOYSA-N 1 2 336.313 4.177 20 5 EIBDLO C[N@H+](Cc1ccccc1OCC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000507175140 1026686898 /nfs/dbraw/zinc/68/68/98/1026686898.db2.gz VNRLWOMVKXECNQ-UHFFFAOYSA-N 1 2 326.396 4.016 20 5 EIBDLO C[N@@H+](Cc1ccccc1OCC1CC1)Cc1ccccc1[N+](=O)[O-] ZINC000507175140 1026686901 /nfs/dbraw/zinc/68/69/01/1026686901.db2.gz VNRLWOMVKXECNQ-UHFFFAOYSA-N 1 2 326.396 4.016 20 5 EIBDLO Cc1nc(C(C)C)oc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000428364687 1027701917 /nfs/dbraw/zinc/70/19/17/1027701917.db2.gz RGGKFBGHIRLYFT-UHFFFAOYSA-N 1 2 329.400 4.179 20 5 EIBDLO Cc1nc(C(C)C)oc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000428364687 1027701934 /nfs/dbraw/zinc/70/19/34/1027701934.db2.gz RGGKFBGHIRLYFT-UHFFFAOYSA-N 1 2 329.400 4.179 20 5 EIBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780378724 1028436507 /nfs/dbraw/zinc/43/65/07/1028436507.db2.gz FSCGHWPDHUWVEW-ONGXEEELSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780378724 1028436526 /nfs/dbraw/zinc/43/65/26/1028436526.db2.gz FSCGHWPDHUWVEW-ONGXEEELSA-N 1 2 336.741 4.411 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000186053238 1029263333 /nfs/dbraw/zinc/26/33/33/1029263333.db2.gz HHSAYISBNMHSJX-HNNXBMFYSA-N 1 2 348.406 4.211 20 5 EIBDLO O=[N+]([O-])c1cc(C[NH+]2CC(c3cccc(C(F)(F)F)c3)C2)cs1 ZINC000449665122 1031916159 /nfs/dbraw/zinc/91/61/59/1031916159.db2.gz MODGLYCQNVTWAM-UHFFFAOYSA-N 1 2 342.342 4.275 20 5 EIBDLO Cc1noc(C[N@@H+](Cc2ccc(C(C)C)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595285186 1035630901 /nfs/dbraw/zinc/63/09/01/1035630901.db2.gz NTSMPBOXINAJBA-UHFFFAOYSA-N 1 2 329.400 4.179 20 5 EIBDLO Cc1noc(C[N@H+](Cc2ccc(C(C)C)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595285186 1035630929 /nfs/dbraw/zinc/63/09/29/1035630929.db2.gz NTSMPBOXINAJBA-UHFFFAOYSA-N 1 2 329.400 4.179 20 5 EIBDLO CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])o1 ZINC000595335212 1035637431 /nfs/dbraw/zinc/63/74/31/1035637431.db2.gz SMFODADIAZNCFX-RISCZKNCSA-N 1 2 333.388 4.020 20 5 EIBDLO CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])o1 ZINC000595335212 1035637446 /nfs/dbraw/zinc/63/74/46/1035637446.db2.gz SMFODADIAZNCFX-RISCZKNCSA-N 1 2 333.388 4.020 20 5 EIBDLO Cc1noc(C[N@@H+]2CCc3ccccc3[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595313996 1035639689 /nfs/dbraw/zinc/63/96/89/1035639689.db2.gz YWUINVFPBNQIRI-HXUWFJFHSA-N 1 2 349.390 4.039 20 5 EIBDLO Cc1noc(C[N@H+]2CCc3ccccc3[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595313996 1035639700 /nfs/dbraw/zinc/63/97/00/1035639700.db2.gz YWUINVFPBNQIRI-HXUWFJFHSA-N 1 2 349.390 4.039 20 5 EIBDLO Cc1noc(C[NH2+]C(C)(C)c2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-] ZINC000595413894 1035673481 /nfs/dbraw/zinc/67/34/81/1035673481.db2.gz AVZAMGKYHZMVHY-UHFFFAOYSA-N 1 2 331.416 4.214 20 5 EIBDLO Cc1cc([C@@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)ccc1F ZINC000491117843 1035812544 /nfs/dbraw/zinc/81/25/44/1035812544.db2.gz PSXJSBHDDQWISQ-KUHUBIRLSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1cc([C@@H]2C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)ccc1F ZINC000491117843 1035812550 /nfs/dbraw/zinc/81/25/50/1035812550.db2.gz PSXJSBHDDQWISQ-KUHUBIRLSA-N 1 2 344.386 4.177 20 5 EIBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NCCCCNc1cccc[nH+]1 ZINC000589113265 1036671780 /nfs/dbraw/zinc/67/17/80/1036671780.db2.gz HTVTYAFEVAMTNH-UHFFFAOYSA-N 1 2 336.342 4.232 20 5 EIBDLO Cc1csc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000599044328 1036853637 /nfs/dbraw/zinc/85/36/37/1036853637.db2.gz OSFMBPFBLKDJMG-VIFPVBQESA-N 1 2 345.346 4.229 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000599700814 1037128519 /nfs/dbraw/zinc/12/85/19/1037128519.db2.gz PQPZAEXPRLXRIF-UHFFFAOYSA-N 1 2 348.349 4.051 20 5 EIBDLO COc1ccccc1C1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000592142791 1037747004 /nfs/dbraw/zinc/74/70/04/1037747004.db2.gz FFCVRBZKBZTBNA-UHFFFAOYSA-N 1 2 332.787 4.036 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000592185436 1037783310 /nfs/dbraw/zinc/78/33/10/1037783310.db2.gz ZGDRPVGCPPUPMN-UHFFFAOYSA-N 1 2 332.787 4.123 20 5 EIBDLO Cc1ccc(-c2cnc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000538176976 1041131490 /nfs/dbraw/zinc/13/14/90/1041131490.db2.gz ZXEYWKXRTGACML-AWEZNQCLSA-N 1 2 337.379 4.409 20 5 EIBDLO Cc1cccc2[nH+]cc(/C=C/c3nc4cc([N+](=O)[O-])ccc4s3)n21 ZINC000484469444 1041246626 /nfs/dbraw/zinc/24/66/26/1041246626.db2.gz QKFCNIXLUFHART-SOFGYWHQSA-N 1 2 336.376 4.331 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000042098267 1041331530 /nfs/dbraw/zinc/33/15/30/1041331530.db2.gz QTJABCKFRSIWOH-UHFFFAOYSA-N 1 2 342.786 4.105 20 5 EIBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC000463477012 1041580472 /nfs/dbraw/zinc/58/04/72/1041580472.db2.gz UPIYCQXACWBZOU-INIZCTEOSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC000463477012 1041580480 /nfs/dbraw/zinc/58/04/80/1041580480.db2.gz UPIYCQXACWBZOU-INIZCTEOSA-N 1 2 348.349 4.219 20 5 EIBDLO Cc1cc(NCc2cc[nH+]c(N3CCCCC3)c2)c(F)cc1[N+](=O)[O-] ZINC000461777248 1041583384 /nfs/dbraw/zinc/58/33/84/1041583384.db2.gz OLJXLYGVCUVZCG-UHFFFAOYSA-N 1 2 344.390 4.040 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000493159583 1042835932 /nfs/dbraw/zinc/83/59/32/1042835932.db2.gz SAKYSZMAMPLRGG-UHFFFAOYSA-N 1 2 346.814 4.366 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000493159583 1042835936 /nfs/dbraw/zinc/83/59/36/1042835936.db2.gz SAKYSZMAMPLRGG-UHFFFAOYSA-N 1 2 346.814 4.366 20 5 EIBDLO C[N@H+](Cc1cccc2[nH]ccc21)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493999833 1042999232 /nfs/dbraw/zinc/99/92/32/1042999232.db2.gz MMLMRVOASQVCHT-UHFFFAOYSA-N 1 2 329.787 4.362 20 5 EIBDLO C[N@@H+](Cc1cccc2[nH]ccc21)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493999833 1042999247 /nfs/dbraw/zinc/99/92/47/1042999247.db2.gz MMLMRVOASQVCHT-UHFFFAOYSA-N 1 2 329.787 4.362 20 5 EIBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccs2)no1 ZINC000079309268 1043885343 /nfs/dbraw/zinc/88/53/43/1043885343.db2.gz MWQXAFLATZCLSQ-GHMZBOCLSA-N 1 2 344.396 4.118 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000543404138 1044524293 /nfs/dbraw/zinc/52/42/93/1044524293.db2.gz HBNZSDGUOSWSQR-IBGZPJMESA-N 1 2 337.354 4.008 20 5 EIBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(CC(F)(F)F)CC2)ccc1Cl ZINC000792933324 1046113317 /nfs/dbraw/zinc/11/33/17/1046113317.db2.gz IKEXCTKZWUTEOK-UHFFFAOYSA-N 1 2 336.741 4.413 20 5 EIBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611800186 1046250818 /nfs/dbraw/zinc/25/08/18/1046250818.db2.gz UPOPRVLCECCZBK-GXSJLCMTSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611800186 1046250841 /nfs/dbraw/zinc/25/08/41/1046250841.db2.gz UPOPRVLCECCZBK-GXSJLCMTSA-N 1 2 336.741 4.411 20 5 EIBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCCCC3)c2)c(F)c1 ZINC000301190443 1046593946 /nfs/dbraw/zinc/59/39/46/1046593946.db2.gz LXYNXXKUANHQMU-UHFFFAOYSA-N 1 2 344.390 4.121 20 5 EIBDLO CC[N@H+](Cc1occc1C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001171240922 1048885550 /nfs/dbraw/zinc/88/55/50/1048885550.db2.gz ZVJWCJSEEHIQGU-UHFFFAOYSA-N 1 2 332.400 4.306 20 5 EIBDLO CC[N@@H+](Cc1occc1C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC001171240922 1048885551 /nfs/dbraw/zinc/88/55/51/1048885551.db2.gz ZVJWCJSEEHIQGU-UHFFFAOYSA-N 1 2 332.400 4.306 20 5 EIBDLO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cc(F)ccc1F ZINC000179786805 1049760096 /nfs/dbraw/zinc/76/00/96/1049760096.db2.gz QXNQWIRCZHLFQZ-AWEZNQCLSA-N 1 2 347.321 4.255 20 5 EIBDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179905789 1049797153 /nfs/dbraw/zinc/79/71/53/1049797153.db2.gz SINAEYAOXXOCKF-JTQLQIEISA-N 1 2 338.766 4.247 20 5 EIBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC001177955133 1050347801 /nfs/dbraw/zinc/34/78/01/1050347801.db2.gz MBVHTVXALVXTLQ-UHFFFAOYSA-N 1 2 342.292 4.058 20 5 EIBDLO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000182341319 1050613739 /nfs/dbraw/zinc/61/37/39/1050613739.db2.gz YEGWBMAFLNOXIA-AWEZNQCLSA-N 1 2 325.821 4.120 20 5 EIBDLO Cc1c([C@H](C)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cccc1[N+](=O)[O-] ZINC000182910639 1050877004 /nfs/dbraw/zinc/87/70/04/1050877004.db2.gz KMFQFFMROLLZKA-ZDUSSCGKSA-N 1 2 340.358 4.401 20 5 EIBDLO Cc1c([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000183149138 1050991319 /nfs/dbraw/zinc/99/13/19/1050991319.db2.gz HMAREUWROSAYAW-AWEZNQCLSA-N 1 2 326.400 4.072 20 5 EIBDLO Cc1ccc(OC(F)F)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001191522067 1051474589 /nfs/dbraw/zinc/47/45/89/1051474589.db2.gz ZTTPCGSYFWTYIF-UHFFFAOYSA-N 1 2 348.349 4.063 20 5 EIBDLO Cc1ccc(OC(F)F)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001191522067 1051474594 /nfs/dbraw/zinc/47/45/94/1051474594.db2.gz ZTTPCGSYFWTYIF-UHFFFAOYSA-N 1 2 348.349 4.063 20 5 EIBDLO CC(C)(C)OC(=O)Nc1cc(Nc2cc([N+](=O)[O-])ccc2F)cc[nH+]1 ZINC001175734641 1051747858 /nfs/dbraw/zinc/74/78/58/1051747858.db2.gz MDOUBSSWZOIXPR-UHFFFAOYSA-N 1 2 348.334 4.220 20 5 EIBDLO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000775550916 1051820689 /nfs/dbraw/zinc/82/06/89/1051820689.db2.gz PSBMERYLUZVQOK-VIFPVBQESA-N 1 2 326.730 4.377 20 5 EIBDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000763835411 1052592744 /nfs/dbraw/zinc/59/27/44/1052592744.db2.gz CMZKLTVMHPYVKP-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000763835411 1052592753 /nfs/dbraw/zinc/59/27/53/1052592753.db2.gz CMZKLTVMHPYVKP-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000072802638 1052598829 /nfs/dbraw/zinc/59/88/29/1052598829.db2.gz MEFFYUQTECGZGQ-UHFFFAOYSA-N 1 2 328.393 4.452 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000072802638 1052598834 /nfs/dbraw/zinc/59/88/34/1052598834.db2.gz MEFFYUQTECGZGQ-UHFFFAOYSA-N 1 2 328.393 4.452 20 5 EIBDLO Cc1csc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000339085112 1053951857 /nfs/dbraw/zinc/95/18/57/1053951857.db2.gz VPXORSUEISMMJQ-SECBINFHSA-N 1 2 345.346 4.229 20 5 EIBDLO Cc1cc(NCc2cc[nH+]c(N3CCCC3)c2)c(Cl)cc1[N+](=O)[O-] ZINC000301442171 1054176171 /nfs/dbraw/zinc/17/61/71/1054176171.db2.gz NNLOIKKKXOMRKZ-UHFFFAOYSA-N 1 2 346.818 4.164 20 5 EIBDLO C[C@H]([NH2+]Cc1ccccc1OC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872018299 1054331323 /nfs/dbraw/zinc/33/13/23/1054331323.db2.gz KDLFGTSLXMKFTD-JTQLQIEISA-N 1 2 340.301 4.186 20 5 EIBDLO CCCCCn1cc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c(C)n1 ZINC000872054473 1054364363 /nfs/dbraw/zinc/36/43/63/1054364363.db2.gz WRFNPCPVWIUIAE-CQSZACIVSA-N 1 2 348.422 4.280 20 5 EIBDLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064027 1054374482 /nfs/dbraw/zinc/37/44/82/1054374482.db2.gz VKCKJWXPWPYDAV-YPMHNXCESA-N 1 2 348.422 4.406 20 5 EIBDLO C[C@@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087191 1054385142 /nfs/dbraw/zinc/38/51/42/1054385142.db2.gz GWTRNTBOTUYSGA-XIKOKIGWSA-N 1 2 329.375 4.321 20 5 EIBDLO Cc1nc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)sc1C ZINC000124723535 1054600603 /nfs/dbraw/zinc/60/06/03/1054600603.db2.gz HTISSYMCYNGZHV-UHFFFAOYSA-N 1 2 339.848 4.346 20 5 EIBDLO Cc1cnc(C(C)(C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000273292232 1055605392 /nfs/dbraw/zinc/60/53/92/1055605392.db2.gz LLFGMBYNXDSZPW-UHFFFAOYSA-N 1 2 325.821 4.038 20 5 EIBDLO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000432788431 1032804635 /nfs/dbraw/zinc/80/46/35/1032804635.db2.gz YBNWYYNFOQXJML-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000432788431 1032804647 /nfs/dbraw/zinc/80/46/47/1032804647.db2.gz YBNWYYNFOQXJML-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO COc1cccc(C2([NH2+]Cc3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000510176526 1020388648 /nfs/dbraw/zinc/38/86/48/1020388648.db2.gz OOZWYSKDURPFKL-UHFFFAOYSA-N 1 2 332.787 4.036 20 5 EIBDLO C[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000090229003 1033080046 /nfs/dbraw/zinc/08/00/46/1033080046.db2.gz BVGYVAZXYZECRE-MRVPVSSYSA-N 1 2 328.265 4.002 20 5 EIBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccccc1 ZINC000610582991 1024157428 /nfs/dbraw/zinc/15/74/28/1024157428.db2.gz KAMOLPWCUULQJQ-SFHVURJKSA-N 1 2 337.379 4.319 20 5 EIBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1c1ccccc1 ZINC000610582991 1024157445 /nfs/dbraw/zinc/15/74/45/1024157445.db2.gz KAMOLPWCUULQJQ-SFHVURJKSA-N 1 2 337.379 4.319 20 5 EIBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1 ZINC000178384545 1024528395 /nfs/dbraw/zinc/52/83/95/1024528395.db2.gz KUXYZRGKTWHOPX-STQMWFEESA-N 1 2 338.367 4.057 20 5 EIBDLO Cc1ccc(-c2ncc(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])s2)o1 ZINC000507115584 1026639479 /nfs/dbraw/zinc/63/94/79/1026639479.db2.gz KLFNDEDOVPDLTG-UHFFFAOYSA-N 1 2 343.408 4.252 20 5 EIBDLO Cc1ccc(-c2ncc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])s2)o1 ZINC000507115584 1026639481 /nfs/dbraw/zinc/63/94/81/1026639481.db2.gz KLFNDEDOVPDLTG-UHFFFAOYSA-N 1 2 343.408 4.252 20 5 EIBDLO CC[C@@H]1C[C@]1([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000500510776 1026809574 /nfs/dbraw/zinc/80/95/74/1026809574.db2.gz BNVMJSLMJIBBJA-DNVCBOLYSA-N 1 2 326.396 4.024 20 5 EIBDLO CCCc1nc(C)c(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000428303316 1027547781 /nfs/dbraw/zinc/54/77/81/1027547781.db2.gz SGRRVAOQDGAEDL-UHFFFAOYSA-N 1 2 329.400 4.008 20 5 EIBDLO CCCc1nc(C)c(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000428303316 1027547791 /nfs/dbraw/zinc/54/77/91/1027547791.db2.gz SGRRVAOQDGAEDL-UHFFFAOYSA-N 1 2 329.400 4.008 20 5 EIBDLO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1F ZINC000444602813 1027886345 /nfs/dbraw/zinc/88/63/45/1027886345.db2.gz MUWZWGJEKUNAKA-UHFFFAOYSA-N 1 2 342.374 4.021 20 5 EIBDLO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1F ZINC000444602813 1027886352 /nfs/dbraw/zinc/88/63/52/1027886352.db2.gz MUWZWGJEKUNAKA-UHFFFAOYSA-N 1 2 342.374 4.021 20 5 EIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000441451597 1028007682 /nfs/dbraw/zinc/00/76/82/1028007682.db2.gz UOIMIVZNJRDJIK-BIENJYKASA-N 1 2 344.386 4.257 20 5 EIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000441451597 1028007707 /nfs/dbraw/zinc/00/77/07/1028007707.db2.gz UOIMIVZNJRDJIK-BIENJYKASA-N 1 2 344.386 4.257 20 5 EIBDLO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(-c4ccccc4)o3)nc2c1 ZINC000446848464 1029601671 /nfs/dbraw/zinc/60/16/71/1029601671.db2.gz HORSZHGDQHHJSA-UHFFFAOYSA-N 1 2 348.362 4.021 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000450929097 1030113780 /nfs/dbraw/zinc/11/37/80/1030113780.db2.gz INFQXCFITVRZSI-UHFFFAOYSA-N 1 2 349.793 4.104 20 5 EIBDLO CCC[C@@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1cccc([N+](=O)[O-])c1 ZINC000612422669 1031505513 /nfs/dbraw/zinc/50/55/13/1031505513.db2.gz SJOVVLHVHMMNLG-HZPDHXFCSA-N 1 2 348.349 4.438 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000182844675 1035004277 /nfs/dbraw/zinc/00/42/77/1035004277.db2.gz QDYIVSGIFCKJNH-DYVFJYSZSA-N 1 2 332.425 4.099 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000182844675 1035004289 /nfs/dbraw/zinc/00/42/89/1035004289.db2.gz QDYIVSGIFCKJNH-DYVFJYSZSA-N 1 2 332.425 4.099 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC000595018001 1035507709 /nfs/dbraw/zinc/50/77/09/1035507709.db2.gz ZJYHIPZANDRCBO-SNVBAGLBSA-N 1 2 338.766 4.247 20 5 EIBDLO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000595419087 1035677173 /nfs/dbraw/zinc/67/71/73/1035677173.db2.gz XHKFCHRAEAOQAW-UHFFFAOYSA-N 1 2 336.313 4.181 20 5 EIBDLO COc1cc(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000485742266 1036238467 /nfs/dbraw/zinc/23/84/67/1036238467.db2.gz GIIXCABZWZUFCM-LLVKDONJSA-N 1 2 336.338 4.075 20 5 EIBDLO COc1cc(C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000485742266 1036238482 /nfs/dbraw/zinc/23/84/82/1036238482.db2.gz GIIXCABZWZUFCM-LLVKDONJSA-N 1 2 336.338 4.075 20 5 EIBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000555421041 1039176528 /nfs/dbraw/zinc/17/65/28/1039176528.db2.gz SFJGDUOXEUWOCX-JTQLQIEISA-N 1 2 340.301 4.170 20 5 EIBDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]2C ZINC000540994964 1041773119 /nfs/dbraw/zinc/77/31/19/1041773119.db2.gz LXDFNRAHIWTZPH-NEPJUHHUSA-N 1 2 332.425 4.173 20 5 EIBDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]2C ZINC000540994964 1041773125 /nfs/dbraw/zinc/77/31/25/1041773125.db2.gz LXDFNRAHIWTZPH-NEPJUHHUSA-N 1 2 332.425 4.173 20 5 EIBDLO O=[N+]([O-])c1ccc(CNc2ccc(N3CCCCC3)c[nH+]2)cc1Cl ZINC000761523074 1042873876 /nfs/dbraw/zinc/87/38/76/1042873876.db2.gz QSVQUEDVXFZXJM-UHFFFAOYSA-N 1 2 346.818 4.246 20 5 EIBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611554886 1043049525 /nfs/dbraw/zinc/04/95/25/1043049525.db2.gz ABCQUIQLJRTWGO-KOLCDFICSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611554886 1043049535 /nfs/dbraw/zinc/04/95/35/1043049535.db2.gz ABCQUIQLJRTWGO-KOLCDFICSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc(-c2ccccc2)o1 ZINC000079309525 1043884966 /nfs/dbraw/zinc/88/49/66/1043884966.db2.gz GPNLFOZRLAGMLZ-QWHCGFSZSA-N 1 2 338.367 4.057 20 5 EIBDLO CC(C)c1ccc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)cc1[N+](=O)[O-] ZINC000443066079 1043985482 /nfs/dbraw/zinc/98/54/82/1043985482.db2.gz IXKJXHWOIDSFCE-UHFFFAOYSA-N 1 2 342.443 4.264 20 5 EIBDLO CC(C)c1ccc(C[N@H+](C)Cc2cnc(C(C)C)nc2)cc1[N+](=O)[O-] ZINC000443066079 1043985486 /nfs/dbraw/zinc/98/54/86/1043985486.db2.gz IXKJXHWOIDSFCE-UHFFFAOYSA-N 1 2 342.443 4.264 20 5 EIBDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000732986375 1044060021 /nfs/dbraw/zinc/06/00/21/1044060021.db2.gz LCRZANCZHFKJPN-INIZCTEOSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000732986375 1044060033 /nfs/dbraw/zinc/06/00/33/1044060033.db2.gz LCRZANCZHFKJPN-INIZCTEOSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1ccc(C2([NH2+]Cc3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 ZINC000494788547 1044257599 /nfs/dbraw/zinc/25/75/99/1044257599.db2.gz SJKWGABWRFNLOG-UHFFFAOYSA-N 1 2 332.787 4.036 20 5 EIBDLO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC001168758533 1044377403 /nfs/dbraw/zinc/37/74/03/1044377403.db2.gz UEERQQIEPIYSPD-VIFPVBQESA-N 1 2 326.183 4.147 20 5 EIBDLO CC(C)c1ccc([C@@H](C)[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000542549417 1044874272 /nfs/dbraw/zinc/87/42/72/1044874272.db2.gz JPJNNBCYRWLETE-CQSZACIVSA-N 1 2 325.412 4.233 20 5 EIBDLO CC(C)c1ccc([C@@H](C)[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000542549417 1044874274 /nfs/dbraw/zinc/87/42/74/1044874274.db2.gz JPJNNBCYRWLETE-CQSZACIVSA-N 1 2 325.412 4.233 20 5 EIBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000509346044 1044992515 /nfs/dbraw/zinc/99/25/15/1044992515.db2.gz UVGPKNVKMFFBQP-VIFPVBQESA-N 1 2 326.730 4.377 20 5 EIBDLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000392215803 1045028114 /nfs/dbraw/zinc/02/81/14/1045028114.db2.gz QOQSZFJJAGBRSD-CQSZACIVSA-N 1 2 326.400 4.153 20 5 EIBDLO CC[C@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000455498003 1045703967 /nfs/dbraw/zinc/70/39/67/1045703967.db2.gz QVMSCUKPAZSASR-INIZCTEOSA-N 1 2 342.399 4.188 20 5 EIBDLO C[C@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001170150976 1045715146 /nfs/dbraw/zinc/71/51/46/1045715146.db2.gz UGTHLBKUBLEBJP-KBXCAEBGSA-N 1 2 326.396 4.274 20 5 EIBDLO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001170150976 1045715161 /nfs/dbraw/zinc/71/51/61/1045715161.db2.gz UGTHLBKUBLEBJP-KBXCAEBGSA-N 1 2 326.396 4.274 20 5 EIBDLO O=[N+]([O-])c1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)ccc1Cl ZINC000768543759 1045822686 /nfs/dbraw/zinc/82/26/86/1045822686.db2.gz IDNWZLHFGAQINA-UHFFFAOYSA-N 1 2 344.798 4.243 20 5 EIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)ccc1Cl ZINC000768543759 1045822690 /nfs/dbraw/zinc/82/26/90/1045822690.db2.gz IDNWZLHFGAQINA-UHFFFAOYSA-N 1 2 344.798 4.243 20 5 EIBDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459636776 1046826495 /nfs/dbraw/zinc/82/64/95/1046826495.db2.gz QURZYSAABKMJFB-SECBINFHSA-N 1 2 337.832 4.044 20 5 EIBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1csc2ccccc21 ZINC000763429507 1047528603 /nfs/dbraw/zinc/52/86/03/1047528603.db2.gz FNIWTVRHBWYGHJ-LLVKDONJSA-N 1 2 328.393 4.366 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1F ZINC000811471657 1049094717 /nfs/dbraw/zinc/09/47/17/1049094717.db2.gz HQVADAUSEGEIKS-UHFFFAOYSA-N 1 2 329.158 4.331 20 5 EIBDLO Cc1cccc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000180178787 1049856795 /nfs/dbraw/zinc/85/67/95/1049856795.db2.gz RHHSUHMWBOKZBF-FQEVSTJZSA-N 1 2 333.391 4.177 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000181729872 1050315819 /nfs/dbraw/zinc/31/58/19/1050315819.db2.gz JZBPYRWOTNSHQL-SNVBAGLBSA-N 1 2 338.766 4.247 20 5 EIBDLO O=[N+]([O-])c1sc(C[NH+]2C3CCCC2CCC3)cc1Br ZINC001204206117 1050320402 /nfs/dbraw/zinc/32/04/02/1050320402.db2.gz ZEHZKVHYNZPYES-UHFFFAOYSA-N 1 2 345.262 4.326 20 5 EIBDLO CCOc1cccc(F)c1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC001178170031 1050408015 /nfs/dbraw/zinc/40/80/15/1050408015.db2.gz HGARUMHNAZIFHJ-UHFFFAOYSA-N 1 2 338.766 4.076 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccc(F)cc2Cl)c1 ZINC001178170037 1050408723 /nfs/dbraw/zinc/40/87/23/1050408723.db2.gz HPVFOAMCTVNWCP-UHFFFAOYSA-N 1 2 329.158 4.331 20 5 EIBDLO CCCc1ncc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])o1 ZINC000825085032 1050498412 /nfs/dbraw/zinc/49/84/12/1050498412.db2.gz IWSKDVXSFAANSY-UHFFFAOYSA-N 1 2 344.198 4.132 20 5 EIBDLO CCn1c2ccccc2[nH+]c1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775157592 1050669192 /nfs/dbraw/zinc/66/91/92/1050669192.db2.gz GHJYXGHWAXZDKL-UHFFFAOYSA-N 1 2 330.775 4.230 20 5 EIBDLO C[C@@H]1CC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@H](C)C1 ZINC001182491593 1051627401 /nfs/dbraw/zinc/62/74/01/1051627401.db2.gz YNEORIICGROIKT-RKDXNWHRSA-N 1 2 333.251 4.039 20 5 EIBDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)[C@H](C)C1 ZINC001182491593 1051627407 /nfs/dbraw/zinc/62/74/07/1051627407.db2.gz YNEORIICGROIKT-RKDXNWHRSA-N 1 2 333.251 4.039 20 5 EIBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCC(C)(C)O1 ZINC001192079704 1051621725 /nfs/dbraw/zinc/62/17/25/1051621725.db2.gz CYVAQGJFDKOQKR-AWEZNQCLSA-N 1 2 326.824 4.028 20 5 EIBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCC(C)(C)O1 ZINC001192079704 1051621728 /nfs/dbraw/zinc/62/17/28/1051621728.db2.gz CYVAQGJFDKOQKR-AWEZNQCLSA-N 1 2 326.824 4.028 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC001192233110 1051673763 /nfs/dbraw/zinc/67/37/63/1051673763.db2.gz CPRMTLRINYHZRC-GFCCVEGCSA-N 1 2 332.350 4.301 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC001192233110 1051673776 /nfs/dbraw/zinc/67/37/76/1051673776.db2.gz CPRMTLRINYHZRC-GFCCVEGCSA-N 1 2 332.350 4.301 20 5 EIBDLO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000774868384 1052230295 /nfs/dbraw/zinc/23/02/95/1052230295.db2.gz OEARBTGHSKSMSK-VIFPVBQESA-N 1 2 326.730 4.377 20 5 EIBDLO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000774908680 1052275582 /nfs/dbraw/zinc/27/55/82/1052275582.db2.gz IXRVOHDKPYWGJF-LRDDRELGSA-N 1 2 345.355 4.069 20 5 EIBDLO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000774908680 1052275589 /nfs/dbraw/zinc/27/55/89/1052275589.db2.gz IXRVOHDKPYWGJF-LRDDRELGSA-N 1 2 345.355 4.069 20 5 EIBDLO Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)OCCF ZINC001194971359 1053205955 /nfs/dbraw/zinc/20/59/55/1053205955.db2.gz DREDALKAIHHIGZ-UHFFFAOYSA-N 1 2 341.386 4.280 20 5 EIBDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC001195124802 1053285050 /nfs/dbraw/zinc/28/50/50/1053285050.db2.gz UITDNUMJAKXQEP-MRXNPFEDSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC001195124802 1053285071 /nfs/dbraw/zinc/28/50/71/1053285071.db2.gz UITDNUMJAKXQEP-MRXNPFEDSA-N 1 2 348.349 4.219 20 5 EIBDLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872018150 1054333181 /nfs/dbraw/zinc/33/31/81/1054333181.db2.gz IZDLMGOTIAFYLR-VXGBXAGGSA-N 1 2 345.374 4.104 20 5 EIBDLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064024 1054374058 /nfs/dbraw/zinc/37/40/58/1054374058.db2.gz VKCKJWXPWPYDAV-AAEUAGOBSA-N 1 2 348.422 4.406 20 5 EIBDLO CCSc1cc(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])ccn1 ZINC000872064659 1054374836 /nfs/dbraw/zinc/37/48/36/1054374836.db2.gz JGPRPXPABVHJTC-LLVKDONJSA-N 1 2 335.404 4.092 20 5 EIBDLO CCCc1ncc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)o1 ZINC000872075808 1054380773 /nfs/dbraw/zinc/38/07/73/1054380773.db2.gz GJAJHCPLUQDTBX-LLVKDONJSA-N 1 2 335.429 4.108 20 5 EIBDLO C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872080930 1054383412 /nfs/dbraw/zinc/38/34/12/1054383412.db2.gz ZUQQJRQBJZJKJM-LBPRGKRZSA-N 1 2 331.391 4.277 20 5 EIBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC000873174066 1054499521 /nfs/dbraw/zinc/49/95/21/1054499521.db2.gz JDTIWGJPQZLDCP-UHFFFAOYSA-N 1 2 343.427 4.004 20 5 EIBDLO Cc1cnc([C@H](C)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC001200941737 1054597813 /nfs/dbraw/zinc/59/78/13/1054597813.db2.gz IZRCAFGGIXBOBO-LBPRGKRZSA-N 1 2 343.408 4.471 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1[N+](=O)[O-] ZINC000878370841 1055278848 /nfs/dbraw/zinc/27/88/48/1055278848.db2.gz CEIQWKPUZKBPAD-CYBMUJFWSA-N 1 2 343.427 4.257 20 5 EIBDLO Cc1cc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000051593776 214098397 /nfs/dbraw/zinc/09/83/97/214098397.db2.gz VZBWBVGZTXZNHQ-UHFFFAOYSA-N 1 2 336.395 4.164 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)cc1 ZINC000532744197 1032282537 /nfs/dbraw/zinc/28/25/37/1032282537.db2.gz QGLCQBQKQKXYBH-KRWDZBQOSA-N 1 2 337.379 4.463 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)cc1 ZINC000532744197 1032282549 /nfs/dbraw/zinc/28/25/49/1032282549.db2.gz QGLCQBQKQKXYBH-KRWDZBQOSA-N 1 2 337.379 4.463 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2nc3cc(F)ccc3o2)C2CC2)cc1 ZINC000130235057 1032521488 /nfs/dbraw/zinc/52/14/88/1032521488.db2.gz UFCQJQHFMYCPRH-UHFFFAOYSA-N 1 2 341.342 4.040 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2nc3cc(F)ccc3o2)C2CC2)cc1 ZINC000130235057 1032521502 /nfs/dbraw/zinc/52/15/02/1032521502.db2.gz UFCQJQHFMYCPRH-UHFFFAOYSA-N 1 2 341.342 4.040 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2c(F)c(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000090228419 1033078854 /nfs/dbraw/zinc/07/88/54/1033078854.db2.gz DPHGOJKZAURZAT-SECBINFHSA-N 1 2 342.292 4.310 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000507312358 1026737458 /nfs/dbraw/zinc/73/74/58/1026737458.db2.gz SMWJHFWNIJQMOR-HXUWFJFHSA-N 1 2 333.391 4.002 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000507312358 1026737469 /nfs/dbraw/zinc/73/74/69/1026737469.db2.gz SMWJHFWNIJQMOR-HXUWFJFHSA-N 1 2 333.391 4.002 20 5 EIBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccs2)o1 ZINC000451103199 1030248671 /nfs/dbraw/zinc/24/86/71/1030248671.db2.gz HDXMCAGGBMOFDO-QWRGUYRKSA-N 1 2 344.396 4.118 20 5 EIBDLO C[N@H+](Cc1ccc(CSC(F)F)o1)Cc1ccccc1[N+](=O)[O-] ZINC000179316358 1030897719 /nfs/dbraw/zinc/89/77/19/1030897719.db2.gz FEMXOBSSYNCTMO-UHFFFAOYSA-N 1 2 342.367 4.276 20 5 EIBDLO C[N@@H+](Cc1ccc(CSC(F)F)o1)Cc1ccccc1[N+](=O)[O-] ZINC000179316358 1030897721 /nfs/dbraw/zinc/89/77/21/1030897721.db2.gz FEMXOBSSYNCTMO-UHFFFAOYSA-N 1 2 342.367 4.276 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccnn2C2CCCC2)C2CC2)cc1 ZINC000449010204 1031358108 /nfs/dbraw/zinc/35/81/08/1031358108.db2.gz KZXOPLUOIUUNTM-UHFFFAOYSA-N 1 2 340.427 4.071 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccnn2C2CCCC2)C2CC2)cc1 ZINC000449010204 1031358121 /nfs/dbraw/zinc/35/81/21/1031358121.db2.gz KZXOPLUOIUUNTM-UHFFFAOYSA-N 1 2 340.427 4.071 20 5 EIBDLO CCC[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1cccc([N+](=O)[O-])c1 ZINC000612422670 1031505318 /nfs/dbraw/zinc/50/53/18/1031505318.db2.gz SJOVVLHVHMMNLG-JKSUJKDBSA-N 1 2 348.349 4.438 20 5 EIBDLO O=[N+]([O-])c1ccccc1C=CC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000513425499 1034935456 /nfs/dbraw/zinc/93/54/56/1034935456.db2.gz WXQZZDPTQHRRQI-UXBLZVDNSA-N 1 2 348.406 4.034 20 5 EIBDLO O=[N+]([O-])c1ccccc1C=CC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000513425499 1034935464 /nfs/dbraw/zinc/93/54/64/1034935464.db2.gz WXQZZDPTQHRRQI-UXBLZVDNSA-N 1 2 348.406 4.034 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000182847530 1035003689 /nfs/dbraw/zinc/00/36/89/1035003689.db2.gz QNGVJNVIRSSZNC-BBRMVZONSA-N 1 2 332.425 4.099 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000182847530 1035003676 /nfs/dbraw/zinc/00/36/76/1035003676.db2.gz QNGVJNVIRSSZNC-BBRMVZONSA-N 1 2 332.425 4.099 20 5 EIBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000595295602 1035626017 /nfs/dbraw/zinc/62/60/17/1035626017.db2.gz MNXCJBZEJSKPNK-GFCCVEGCSA-N 1 2 329.356 4.221 20 5 EIBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000595295602 1035626036 /nfs/dbraw/zinc/62/60/36/1035626036.db2.gz MNXCJBZEJSKPNK-GFCCVEGCSA-N 1 2 329.356 4.221 20 5 EIBDLO Cc1cc([C@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)ccc1F ZINC000491117842 1035811899 /nfs/dbraw/zinc/81/18/99/1035811899.db2.gz PSXJSBHDDQWISQ-IFXJQAMLSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1cc([C@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)ccc1F ZINC000491117842 1035811902 /nfs/dbraw/zinc/81/19/02/1035811902.db2.gz PSXJSBHDDQWISQ-IFXJQAMLSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1cc([C@@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491160607 1035818646 /nfs/dbraw/zinc/81/86/46/1035818646.db2.gz IGMYATJJKQCGEI-LIRRHRJNSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1cc([C@@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491160607 1035818650 /nfs/dbraw/zinc/81/86/50/1035818650.db2.gz IGMYATJJKQCGEI-LIRRHRJNSA-N 1 2 344.386 4.177 20 5 EIBDLO O=[N+]([O-])c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c2ncccc12 ZINC000601686575 1036203560 /nfs/dbraw/zinc/20/35/60/1036203560.db2.gz ITJLOIFWXNMMHR-UHFFFAOYSA-N 1 2 349.394 4.272 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(C(F)F)nc1)C1CC1 ZINC000602438200 1036447849 /nfs/dbraw/zinc/44/78/49/1036447849.db2.gz BWDMSAUNLPLVOW-UHFFFAOYSA-N 1 2 333.338 4.092 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(C(F)F)nc1)C1CC1 ZINC000602438200 1036447870 /nfs/dbraw/zinc/44/78/70/1036447870.db2.gz BWDMSAUNLPLVOW-UHFFFAOYSA-N 1 2 333.338 4.092 20 5 EIBDLO CC[C@@H]([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602561795 1036495734 /nfs/dbraw/zinc/49/57/34/1036495734.db2.gz FZAJBLHJJWUPGG-SJORKVTESA-N 1 2 343.431 4.075 20 5 EIBDLO O=C(Nc1ccc2[nH+]ccn2c1)c1cc2ccccc2c2cccnc12 ZINC000603808525 1037014466 /nfs/dbraw/zinc/01/44/66/1037014466.db2.gz DVBXTGMYZKLCGN-UHFFFAOYSA-N 1 2 338.370 4.288 20 5 EIBDLO COc1ccccc1C1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000592145718 1037753344 /nfs/dbraw/zinc/75/33/44/1037753344.db2.gz YLNMJXVMLBBTIB-UHFFFAOYSA-N 1 2 332.787 4.036 20 5 EIBDLO O=[N+]([O-])c1ccc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000550989840 1039854438 /nfs/dbraw/zinc/85/44/38/1039854438.db2.gz AXUXLPNILMPRIX-UHFFFAOYSA-N 1 2 349.390 4.374 20 5 EIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCCC[C@H]3c3ccco3)nc2c1 ZINC000482695721 1040437520 /nfs/dbraw/zinc/43/75/20/1040437520.db2.gz OCLLIJNNSAATEA-INIZCTEOSA-N 1 2 340.383 4.181 20 5 EIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCCC[C@H]3c3ccco3)nc2c1 ZINC000482695721 1040437524 /nfs/dbraw/zinc/43/75/24/1040437524.db2.gz OCLLIJNNSAATEA-INIZCTEOSA-N 1 2 340.383 4.181 20 5 EIBDLO CCc1cc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)on1 ZINC000539812306 1040803994 /nfs/dbraw/zinc/80/39/94/1040803994.db2.gz QOWGTWOJNBZHOW-IBGZPJMESA-N 1 2 337.379 4.024 20 5 EIBDLO CCC(CC)c1cc(C[NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)on1 ZINC000903103642 1040902691 /nfs/dbraw/zinc/90/26/91/1040902691.db2.gz LXBZZWWKAAYVDT-GFCCVEGCSA-N 1 2 347.415 4.346 20 5 EIBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000484357966 1041214685 /nfs/dbraw/zinc/21/46/85/1041214685.db2.gz RDFXGTRJEMDBGI-ZDUSSCGKSA-N 1 2 334.313 4.144 20 5 EIBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000484357966 1041214698 /nfs/dbraw/zinc/21/46/98/1041214698.db2.gz RDFXGTRJEMDBGI-ZDUSSCGKSA-N 1 2 334.313 4.144 20 5 EIBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000484357964 1041215224 /nfs/dbraw/zinc/21/52/24/1041215224.db2.gz RDFXGTRJEMDBGI-CYBMUJFWSA-N 1 2 334.313 4.144 20 5 EIBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000484357964 1041215243 /nfs/dbraw/zinc/21/52/43/1041215243.db2.gz RDFXGTRJEMDBGI-CYBMUJFWSA-N 1 2 334.313 4.144 20 5 EIBDLO Cc1cccc2[nH+]cc(/C=C\c3ccc4cccc([N+](=O)[O-])c4n3)n21 ZINC000484438456 1041237469 /nfs/dbraw/zinc/23/74/69/1041237469.db2.gz CZJVFDBGGFADSY-KHPPLWFESA-N 1 2 330.347 4.270 20 5 EIBDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000540327542 1041385331 /nfs/dbraw/zinc/38/53/31/1041385331.db2.gz IIYVQUFQASLTLO-SECBINFHSA-N 1 2 326.730 4.377 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000128427121 1041388302 /nfs/dbraw/zinc/38/83/02/1041388302.db2.gz ZVFIRLDGJBIHJN-GFCCVEGCSA-N 1 2 343.408 4.471 20 5 EIBDLO COc1cc(C[N@H+](C)Cc2cc3ccccc3o2)c([N+](=O)[O-])cc1F ZINC000464676412 1042114676 /nfs/dbraw/zinc/11/46/76/1042114676.db2.gz GHHSLBRXHDQNDK-UHFFFAOYSA-N 1 2 344.342 4.121 20 5 EIBDLO COc1cc(C[N@@H+](C)Cc2cc3ccccc3o2)c([N+](=O)[O-])cc1F ZINC000464676412 1042114682 /nfs/dbraw/zinc/11/46/82/1042114682.db2.gz GHHSLBRXHDQNDK-UHFFFAOYSA-N 1 2 344.342 4.121 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000030463148 1042529929 /nfs/dbraw/zinc/52/99/29/1042529929.db2.gz OHHRBZZZLKEBBP-CQSZACIVSA-N 1 2 345.830 4.131 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1Cl ZINC000761520696 1042875071 /nfs/dbraw/zinc/87/50/71/1042875071.db2.gz DKNWIMBOEZBEIL-UHFFFAOYSA-N 1 2 329.158 4.331 20 5 EIBDLO C[N@@H+]1CCCc2cc(NCc3ccc([N+](=O)[O-])c(Cl)c3)ccc21 ZINC000761533490 1042877741 /nfs/dbraw/zinc/87/77/41/1042877741.db2.gz QSVZEPHPFVHEPL-UHFFFAOYSA-N 1 2 331.803 4.243 20 5 EIBDLO C[N@H+]1CCCc2cc(NCc3ccc([N+](=O)[O-])c(Cl)c3)ccc21 ZINC000761533490 1042877745 /nfs/dbraw/zinc/87/77/45/1042877745.db2.gz QSVZEPHPFVHEPL-UHFFFAOYSA-N 1 2 331.803 4.243 20 5 EIBDLO O=[N+]([O-])c1cc(C(F)F)ccc1N1CCC(Nc2cccc[nH+]2)CC1 ZINC000895355595 1044650458 /nfs/dbraw/zinc/65/04/58/1044650458.db2.gz YJKAXQQCRNSUQI-UHFFFAOYSA-N 1 2 348.353 4.008 20 5 EIBDLO COc1ccc(C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C2CC2)cc1 ZINC000735492237 1044832702 /nfs/dbraw/zinc/83/27/02/1044832702.db2.gz LDXFQYAUVDIPLP-UHFFFAOYSA-N 1 2 346.814 4.421 20 5 EIBDLO COc1ccc(C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C2CC2)cc1 ZINC000735492237 1044832703 /nfs/dbraw/zinc/83/27/03/1044832703.db2.gz LDXFQYAUVDIPLP-UHFFFAOYSA-N 1 2 346.814 4.421 20 5 EIBDLO O=[N+]([O-])c1cc(COc2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000768517796 1045819707 /nfs/dbraw/zinc/81/97/07/1045819707.db2.gz UVLBMVZTGIAZRU-UHFFFAOYSA-N 1 2 329.743 4.013 20 5 EIBDLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792862134 1046078905 /nfs/dbraw/zinc/07/89/05/1046078905.db2.gz JSPBMRLMCRFUQD-NSHDSACASA-N 1 2 349.774 4.349 20 5 EIBDLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792862134 1046078918 /nfs/dbraw/zinc/07/89/18/1046078918.db2.gz JSPBMRLMCRFUQD-NSHDSACASA-N 1 2 349.774 4.349 20 5 EIBDLO CCCCC[N@@H+](Cc1ccc(F)cc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000916568195 1046095066 /nfs/dbraw/zinc/09/50/66/1046095066.db2.gz PRDWHSYZJHXRIV-UHFFFAOYSA-N 1 2 348.422 4.197 20 5 EIBDLO CCCCC[N@H+](Cc1ccc(F)cc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000916568195 1046095085 /nfs/dbraw/zinc/09/50/85/1046095085.db2.gz PRDWHSYZJHXRIV-UHFFFAOYSA-N 1 2 348.422 4.197 20 5 EIBDLO C[C@]12CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000792907041 1046100575 /nfs/dbraw/zinc/10/05/75/1046100575.db2.gz PKWGSMROMFQGOB-OLZOCXBDSA-N 1 2 349.645 4.264 20 5 EIBDLO C[C@]12CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000792907041 1046100587 /nfs/dbraw/zinc/10/05/87/1046100587.db2.gz PKWGSMROMFQGOB-OLZOCXBDSA-N 1 2 349.645 4.264 20 5 EIBDLO CC[N@@H+](Cc1ccccc1Cl)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917437450 1046877906 /nfs/dbraw/zinc/87/79/06/1046877906.db2.gz UZLWKFMZQCOTLQ-UHFFFAOYSA-N 1 2 344.802 4.078 20 5 EIBDLO CC[N@H+](Cc1ccccc1Cl)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917437450 1046877908 /nfs/dbraw/zinc/87/79/08/1046877908.db2.gz UZLWKFMZQCOTLQ-UHFFFAOYSA-N 1 2 344.802 4.078 20 5 EIBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746673742 1046984434 /nfs/dbraw/zinc/98/44/34/1046984434.db2.gz ZSTLLKRGLOGZSW-QGZVFWFLSA-N 1 2 333.819 4.314 20 5 EIBDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746673742 1046984459 /nfs/dbraw/zinc/98/44/59/1046984459.db2.gz ZSTLLKRGLOGZSW-QGZVFWFLSA-N 1 2 333.819 4.314 20 5 EIBDLO Cc1nc(C(C)(C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])sc1C ZINC000746674773 1046984718 /nfs/dbraw/zinc/98/47/18/1046984718.db2.gz PXBVVGUYHBVWGN-UHFFFAOYSA-N 1 2 339.848 4.346 20 5 EIBDLO Cc1ccc([C@H]2CSCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000788479812 1047197694 /nfs/dbraw/zinc/19/76/94/1047197694.db2.gz CNXOBRVMHQDCSO-GOSISDBHSA-N 1 2 346.427 4.332 20 5 EIBDLO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000788479812 1047197686 /nfs/dbraw/zinc/19/76/86/1047197686.db2.gz CNXOBRVMHQDCSO-GOSISDBHSA-N 1 2 346.427 4.332 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000154792187 1047597942 /nfs/dbraw/zinc/59/79/42/1047597942.db2.gz JGLQXRYQERKZHT-AWEZNQCLSA-N 1 2 337.379 4.409 20 5 EIBDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccn1 ZINC000809975132 1048587030 /nfs/dbraw/zinc/58/70/30/1048587030.db2.gz YICOBWDDYPPGRK-SECBINFHSA-N 1 2 326.183 4.147 20 5 EIBDLO C[C@@H]1CCSCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809986667 1048589905 /nfs/dbraw/zinc/58/99/05/1048589905.db2.gz JNCWEFPCDYGQMA-SECBINFHSA-N 1 2 335.256 4.229 20 5 EIBDLO C[C@@H]1CCSCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809986667 1048589921 /nfs/dbraw/zinc/58/99/21/1048589921.db2.gz JNCWEFPCDYGQMA-SECBINFHSA-N 1 2 335.256 4.229 20 5 EIBDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000195348075 1048683519 /nfs/dbraw/zinc/68/35/19/1048683519.db2.gz FEHWREMDQOQNLI-GFCCVEGCSA-N 1 2 327.409 4.398 20 5 EIBDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000195348075 1048683525 /nfs/dbraw/zinc/68/35/25/1048683525.db2.gz FEHWREMDQOQNLI-GFCCVEGCSA-N 1 2 327.409 4.398 20 5 EIBDLO CC(C)c1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])on1 ZINC000811480531 1049102725 /nfs/dbraw/zinc/10/27/25/1049102725.db2.gz XIAVXTDOBKHHTM-UHFFFAOYSA-N 1 2 344.198 4.303 20 5 EIBDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000805748250 1049510696 /nfs/dbraw/zinc/51/06/96/1049510696.db2.gz BPLBCCWCTBBYMR-SJCJKPOMSA-N 1 2 331.803 4.226 20 5 EIBDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000805748250 1049510712 /nfs/dbraw/zinc/51/07/12/1049510712.db2.gz BPLBCCWCTBBYMR-SJCJKPOMSA-N 1 2 331.803 4.226 20 5 EIBDLO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1F ZINC000618276736 1050334030 /nfs/dbraw/zinc/33/40/30/1050334030.db2.gz LCTDPXGFQVBXIO-UHFFFAOYSA-N 1 2 342.374 4.022 20 5 EIBDLO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1F ZINC000618276736 1050334048 /nfs/dbraw/zinc/33/40/48/1050334048.db2.gz LCTDPXGFQVBXIO-UHFFFAOYSA-N 1 2 342.374 4.022 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)c(F)c1 ZINC000619197442 1050699113 /nfs/dbraw/zinc/69/91/13/1050699113.db2.gz YUUMSFLOZWMXAJ-UHFFFAOYSA-N 1 2 344.317 4.423 20 5 EIBDLO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184343020 1051911598 /nfs/dbraw/zinc/91/15/98/1051911598.db2.gz RRFHDNFYLVZLJM-GFCCVEGCSA-N 1 2 325.821 4.254 20 5 EIBDLO COc1ccc(C[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1Cl ZINC001195223450 1053338487 /nfs/dbraw/zinc/33/84/87/1053338487.db2.gz GWSVTVIZBPQULJ-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO COc1ccc(C[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])cc1Cl ZINC001195223450 1053338504 /nfs/dbraw/zinc/33/85/04/1053338504.db2.gz GWSVTVIZBPQULJ-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO CC1(C)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC001198201620 1054092580 /nfs/dbraw/zinc/09/25/80/1054092580.db2.gz ANDSGQWVOBHPBE-GOSISDBHSA-N 1 2 340.423 4.316 20 5 EIBDLO CC1(C)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC001198201620 1054092593 /nfs/dbraw/zinc/09/25/93/1054092593.db2.gz ANDSGQWVOBHPBE-GOSISDBHSA-N 1 2 340.423 4.316 20 5 EIBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000872053373 1054364155 /nfs/dbraw/zinc/36/41/55/1054364155.db2.gz JGEFXKPPQLRGLT-QWRGUYRKSA-N 1 2 333.319 4.054 20 5 EIBDLO COCC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000872059821 1054369972 /nfs/dbraw/zinc/36/99/72/1054369972.db2.gz IYSBBXWYXDDVOT-OCCSQVGLSA-N 1 2 336.363 4.064 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1[N+](=O)[O-] ZINC000878370842 1055280180 /nfs/dbraw/zinc/28/01/80/1055280180.db2.gz CEIQWKPUZKBPAD-ZDUSSCGKSA-N 1 2 343.427 4.257 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC001169553729 1060854251 /nfs/dbraw/zinc/85/42/51/1060854251.db2.gz DMGZWLHHZXLAOI-APWZRJJASA-N 1 2 340.423 4.192 20 5 EIBDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000083171001 1021025404 /nfs/dbraw/zinc/02/54/04/1021025404.db2.gz HHHCGKBQANSKTC-JTQLQIEISA-N 1 2 346.412 4.002 20 5 EIBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000083171001 1021025410 /nfs/dbraw/zinc/02/54/10/1021025410.db2.gz HHHCGKBQANSKTC-JTQLQIEISA-N 1 2 346.412 4.002 20 5 EIBDLO CC(C)CCc1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000180445176 1022668368 /nfs/dbraw/zinc/66/83/68/1022668368.db2.gz QRKFUYJBBSZQET-ZDUSSCGKSA-N 1 2 333.457 4.491 20 5 EIBDLO CC(C)[N@H+](Cc1ccn(C2CCCC2)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000477138093 1023457893 /nfs/dbraw/zinc/45/78/93/1023457893.db2.gz GRPFZTYLYXTUCR-UHFFFAOYSA-N 1 2 342.443 4.317 20 5 EIBDLO CC(C)[N@@H+](Cc1ccn(C2CCCC2)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000477138093 1023457900 /nfs/dbraw/zinc/45/79/00/1023457900.db2.gz GRPFZTYLYXTUCR-UHFFFAOYSA-N 1 2 342.443 4.317 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000430750405 1024010406 /nfs/dbraw/zinc/01/04/06/1024010406.db2.gz NPDJQKCEWHYOLI-VIFPVBQESA-N 1 2 342.292 4.310 20 5 EIBDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510792683 1024482671 /nfs/dbraw/zinc/48/26/71/1024482671.db2.gz UACAQLIVIZUUQM-GFCCVEGCSA-N 1 2 338.276 4.036 20 5 EIBDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510792683 1024482680 /nfs/dbraw/zinc/48/26/80/1024482680.db2.gz UACAQLIVIZUUQM-GFCCVEGCSA-N 1 2 338.276 4.036 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000538526333 1025451598 /nfs/dbraw/zinc/45/15/98/1025451598.db2.gz BUFZSOYQMFBJFF-HNNXBMFYSA-N 1 2 340.427 4.462 20 5 EIBDLO Cc1cccnc1[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000934289995 1026162678 /nfs/dbraw/zinc/16/26/78/1026162678.db2.gz UALQOWDWQNOHRI-QGZVFWFLSA-N 1 2 349.381 4.453 20 5 EIBDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000441444265 1027987255 /nfs/dbraw/zinc/98/72/55/1027987255.db2.gz GLPOWXCNSBCRHZ-UZLBHIALSA-N 1 2 340.423 4.174 20 5 EIBDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000441444265 1027987273 /nfs/dbraw/zinc/98/72/73/1027987273.db2.gz GLPOWXCNSBCRHZ-UZLBHIALSA-N 1 2 340.423 4.174 20 5 EIBDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)[C@H](C)CO2)c1 ZINC000441445625 1027987685 /nfs/dbraw/zinc/98/76/85/1027987685.db2.gz YVXCMWFXSTUTIT-UZLBHIALSA-N 1 2 340.423 4.174 20 5 EIBDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)[C@H](C)CO2)c1 ZINC000441445625 1027987701 /nfs/dbraw/zinc/98/77/01/1027987701.db2.gz YVXCMWFXSTUTIT-UZLBHIALSA-N 1 2 340.423 4.174 20 5 EIBDLO CCc1onc(C)c1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000897336904 1028342954 /nfs/dbraw/zinc/34/29/54/1028342954.db2.gz QYKMCLSHOCCRDO-UHFFFAOYSA-N 1 2 344.198 4.050 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000278587292 1029558590 /nfs/dbraw/zinc/55/85/90/1029558590.db2.gz GNMWCRXSRJQZHF-SECBINFHSA-N 1 2 345.346 4.229 20 5 EIBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccs2)no1 ZINC000451103203 1030248724 /nfs/dbraw/zinc/24/87/24/1030248724.db2.gz HEMNFJAJJZACBH-QWRGUYRKSA-N 1 2 344.396 4.118 20 5 EIBDLO CC[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000540834613 1030733843 /nfs/dbraw/zinc/73/38/43/1030733843.db2.gz XZPQDEXPUYZHMW-QGZVFWFLSA-N 1 2 340.358 4.483 20 5 EIBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ncc(Cl)s3)C2)cc1 ZINC000449498311 1031808533 /nfs/dbraw/zinc/80/85/33/1031808533.db2.gz KCGLHZZYDRNWBN-LBPRGKRZSA-N 1 2 337.832 4.084 20 5 EIBDLO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3ncc(Cl)s3)C2)cc1 ZINC000449498311 1031808540 /nfs/dbraw/zinc/80/85/40/1031808540.db2.gz KCGLHZZYDRNWBN-LBPRGKRZSA-N 1 2 337.832 4.084 20 5 EIBDLO CCCc1ncc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)o1 ZINC000449610495 1031871214 /nfs/dbraw/zinc/87/12/14/1031871214.db2.gz GYBVUXJRZFEZSA-UHFFFAOYSA-N 1 2 341.367 4.085 20 5 EIBDLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])o1 ZINC000595335209 1035634355 /nfs/dbraw/zinc/63/43/55/1035634355.db2.gz SMFODADIAZNCFX-FZMZJTMJSA-N 1 2 333.388 4.020 20 5 EIBDLO CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])o1 ZINC000595335209 1035634362 /nfs/dbraw/zinc/63/43/62/1035634362.db2.gz SMFODADIAZNCFX-FZMZJTMJSA-N 1 2 333.388 4.020 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000485793458 1036265902 /nfs/dbraw/zinc/26/59/02/1036265902.db2.gz OYMSYEYHJUSOBA-KUHUBIRLSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000485793458 1036265930 /nfs/dbraw/zinc/26/59/30/1036265930.db2.gz OYMSYEYHJUSOBA-KUHUBIRLSA-N 1 2 344.386 4.177 20 5 EIBDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(F)cc1F ZINC000761254269 1036457275 /nfs/dbraw/zinc/45/72/75/1036457275.db2.gz SLBONLNYILIFNH-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(F)cc1F ZINC000761254269 1036457294 /nfs/dbraw/zinc/45/72/94/1036457294.db2.gz SLBONLNYILIFNH-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO CC(C)c1cc(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])on1 ZINC000602544629 1036488376 /nfs/dbraw/zinc/48/83/76/1036488376.db2.gz ILDGKYWSRQZPJP-UHFFFAOYSA-N 1 2 343.305 4.015 20 5 EIBDLO CC[C@H]([NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602561792 1036495390 /nfs/dbraw/zinc/49/53/90/1036495390.db2.gz FZAJBLHJJWUPGG-DLBZAZTESA-N 1 2 343.431 4.075 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000599692225 1037125770 /nfs/dbraw/zinc/12/57/70/1037125770.db2.gz DBAGQFNXNLMKAB-UHFFFAOYSA-N 1 2 348.349 4.051 20 5 EIBDLO Cc1cccc2c1CC[N@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000760832548 1037453158 /nfs/dbraw/zinc/45/31/58/1037453158.db2.gz VFUMCQMZUCMQKX-UHFFFAOYSA-N 1 2 349.390 4.117 20 5 EIBDLO Cc1cccc2c1CC[N@@H+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC000760832548 1037453168 /nfs/dbraw/zinc/45/31/68/1037453168.db2.gz VFUMCQMZUCMQKX-UHFFFAOYSA-N 1 2 349.390 4.117 20 5 EIBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000574059094 1037931125 /nfs/dbraw/zinc/93/11/25/1037931125.db2.gz XKEBKFMAIVXZQD-LLVKDONJSA-N 1 2 326.805 4.256 20 5 EIBDLO C[C@@H]1C[C@H]1[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000555422311 1039174887 /nfs/dbraw/zinc/17/48/87/1039174887.db2.gz UARWOQLKZFFFJV-XNAIMREJSA-N 1 2 346.814 4.441 20 5 EIBDLO C[C@@H]1C[C@@H]1[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000555422308 1039175170 /nfs/dbraw/zinc/17/51/70/1039175170.db2.gz UARWOQLKZFFFJV-DPZKZMLUSA-N 1 2 346.814 4.441 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000555417021 1039182697 /nfs/dbraw/zinc/18/26/97/1039182697.db2.gz OYGQINTXQJTAMC-LJQANCHMSA-N 1 2 326.396 4.322 20 5 EIBDLO Cc1ccc(-c2cc(C[N@@H+]3CCc4c(cccc4[N+](=O)[O-])C3)on2)cc1 ZINC000535248110 1040093650 /nfs/dbraw/zinc/09/36/50/1040093650.db2.gz PVVZDHRKMFAONR-UHFFFAOYSA-N 1 2 349.390 4.117 20 5 EIBDLO Cc1ccc(-c2cc(C[N@H+]3CCc4c(cccc4[N+](=O)[O-])C3)on2)cc1 ZINC000535248110 1040093665 /nfs/dbraw/zinc/09/36/65/1040093665.db2.gz PVVZDHRKMFAONR-UHFFFAOYSA-N 1 2 349.390 4.117 20 5 EIBDLO Cc1ccc([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000192751342 1040477732 /nfs/dbraw/zinc/47/77/32/1040477732.db2.gz OHSYHGNXJDPKAT-AWEZNQCLSA-N 1 2 326.400 4.072 20 5 EIBDLO Cc1ccccc1[C@@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000075767834 1041345898 /nfs/dbraw/zinc/34/58/98/1041345898.db2.gz QSOATHBSLISBOR-KXBFYZLASA-N 1 2 326.396 4.038 20 5 EIBDLO Cc1ccccc1[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000075767834 1041345914 /nfs/dbraw/zinc/34/59/14/1041345914.db2.gz QSOATHBSLISBOR-KXBFYZLASA-N 1 2 326.396 4.038 20 5 EIBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH+](Cc1ccco1)Cc1ccco1 ZINC000506114099 1041889971 /nfs/dbraw/zinc/88/99/71/1041889971.db2.gz WVZBQMWBGVAFFJ-CLTKARDFSA-N 1 2 338.363 4.496 20 5 EIBDLO CC(C)COC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000541629504 1042044587 /nfs/dbraw/zinc/04/45/87/1042044587.db2.gz ZAMSFGYFFLJYLX-GOEBONIOSA-N 1 2 332.400 4.252 20 5 EIBDLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000464726287 1042142439 /nfs/dbraw/zinc/14/24/39/1042142439.db2.gz RQDMZSWARLIVCQ-KPZWWZAWSA-N 1 2 332.350 4.456 20 5 EIBDLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000464726287 1042142441 /nfs/dbraw/zinc/14/24/41/1042142441.db2.gz RQDMZSWARLIVCQ-KPZWWZAWSA-N 1 2 332.350 4.456 20 5 EIBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(c3ncccc3Cl)CC2)cs1 ZINC000429213913 1043350865 /nfs/dbraw/zinc/35/08/65/1043350865.db2.gz FEFBTXACJOJYLR-UHFFFAOYSA-N 1 2 337.832 4.084 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccs2)no1 ZINC000079309266 1043884952 /nfs/dbraw/zinc/88/49/52/1043884952.db2.gz MWQXAFLATZCLSQ-WDEREUQCSA-N 1 2 344.396 4.118 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000245528346 1043964948 /nfs/dbraw/zinc/96/49/48/1043964948.db2.gz QNGVJNVIRSSZNC-XJKSGUPXSA-N 1 2 332.425 4.099 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000245528346 1043964963 /nfs/dbraw/zinc/96/49/63/1043964963.db2.gz QNGVJNVIRSSZNC-XJKSGUPXSA-N 1 2 332.425 4.099 20 5 EIBDLO Cc1ccccc1[C@H]([C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000443218875 1044108897 /nfs/dbraw/zinc/10/88/97/1044108897.db2.gz UOECOSKSRIFQRM-QINHECLXSA-N 1 2 341.455 4.245 20 5 EIBDLO O=[N+]([O-])c1ccsc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000301992633 1044661876 /nfs/dbraw/zinc/66/18/76/1044661876.db2.gz GLRPWUWJGNUFAB-UHFFFAOYSA-N 1 2 332.429 4.044 20 5 EIBDLO Cc1c([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)on2)cccc1[N+](=O)[O-] ZINC000154792625 1044836083 /nfs/dbraw/zinc/83/60/83/1044836083.db2.gz ZCASOPNMGFSNLK-CQSZACIVSA-N 1 2 337.379 4.409 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000611437824 1045307918 /nfs/dbraw/zinc/30/79/18/1045307918.db2.gz QSVYLBKKQREZQK-UHFFFAOYSA-N 1 2 342.729 4.139 20 5 EIBDLO C[C@@]12CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]1C2(Cl)Cl ZINC000792903180 1046098409 /nfs/dbraw/zinc/09/84/09/1046098409.db2.gz JWNCMNZQWPVIKT-QWHCGFSZSA-N 1 2 349.645 4.264 20 5 EIBDLO C[C@@]12CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]1C2(Cl)Cl ZINC000792903180 1046098425 /nfs/dbraw/zinc/09/84/25/1046098425.db2.gz JWNCMNZQWPVIKT-QWHCGFSZSA-N 1 2 349.645 4.264 20 5 EIBDLO CC[N@H+](Cc1ccc(Cl)s1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000916987813 1046527543 /nfs/dbraw/zinc/52/75/43/1046527543.db2.gz YPZVZANZGMKIQN-UHFFFAOYSA-N 1 2 328.796 4.471 20 5 EIBDLO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000916987813 1046527563 /nfs/dbraw/zinc/52/75/63/1046527563.db2.gz YPZVZANZGMKIQN-UHFFFAOYSA-N 1 2 328.796 4.471 20 5 EIBDLO Cc1csc(C(C)(C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000746674998 1046984376 /nfs/dbraw/zinc/98/43/76/1046984376.db2.gz YZGHAGGHAJTWEU-UHFFFAOYSA-N 1 2 325.821 4.038 20 5 EIBDLO C[C@H]1CSCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809986264 1048588911 /nfs/dbraw/zinc/58/89/11/1048588911.db2.gz APAGKLLBGBNEBU-SECBINFHSA-N 1 2 335.256 4.087 20 5 EIBDLO C[C@H]1CSCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809986264 1048588926 /nfs/dbraw/zinc/58/89/26/1048588926.db2.gz APAGKLLBGBNEBU-SECBINFHSA-N 1 2 335.256 4.087 20 5 EIBDLO CCc1noc(C)c1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000816638437 1048846940 /nfs/dbraw/zinc/84/69/40/1048846940.db2.gz MFVGNXMDQLETQI-UHFFFAOYSA-N 1 2 344.198 4.050 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(Cl)o1 ZINC000811471960 1049094826 /nfs/dbraw/zinc/09/48/26/1049094826.db2.gz OTXKZOTZTGPFQI-UHFFFAOYSA-N 1 2 335.574 4.438 20 5 EIBDLO C[C@@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180244185 1049867682 /nfs/dbraw/zinc/86/76/82/1049867682.db2.gz XHONSDTWORUHIJ-SECBINFHSA-N 1 2 326.183 4.147 20 5 EIBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773665587 1050207767 /nfs/dbraw/zinc/20/77/67/1050207767.db2.gz MMPNQHNABPLYHF-UHFFFAOYSA-N 1 2 347.777 4.072 20 5 EIBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773665587 1050207779 /nfs/dbraw/zinc/20/77/79/1050207779.db2.gz MMPNQHNABPLYHF-UHFFFAOYSA-N 1 2 347.777 4.072 20 5 EIBDLO CCO[C@@H](C)c1nc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000181837258 1050354472 /nfs/dbraw/zinc/35/44/72/1050354472.db2.gz FJEPUHFNEJTQNJ-OLZOCXBDSA-N 1 2 349.456 4.308 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2nc3ccc(F)cc3o2)C2CC2)cc1 ZINC000130988728 1050885912 /nfs/dbraw/zinc/88/59/12/1050885912.db2.gz WOILMEVRBWJQMD-UHFFFAOYSA-N 1 2 341.342 4.040 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2nc3ccc(F)cc3o2)C2CC2)cc1 ZINC000130988728 1050885920 /nfs/dbraw/zinc/88/59/20/1050885920.db2.gz WOILMEVRBWJQMD-UHFFFAOYSA-N 1 2 341.342 4.040 20 5 EIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)ccc1Cl ZINC001193827864 1052007290 /nfs/dbraw/zinc/00/72/90/1052007290.db2.gz OWEDNRRZLTXYJE-QGZVFWFLSA-N 1 2 334.778 4.319 20 5 EIBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)ccc1Cl ZINC001193827864 1052007292 /nfs/dbraw/zinc/00/72/92/1052007292.db2.gz OWEDNRRZLTXYJE-QGZVFWFLSA-N 1 2 334.778 4.319 20 5 EIBDLO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000774908678 1052274707 /nfs/dbraw/zinc/27/47/07/1052274707.db2.gz IXRVOHDKPYWGJF-BLLLJJGKSA-N 1 2 345.355 4.069 20 5 EIBDLO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000774908678 1052274710 /nfs/dbraw/zinc/27/47/10/1052274710.db2.gz IXRVOHDKPYWGJF-BLLLJJGKSA-N 1 2 345.355 4.069 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC000850425040 1053199016 /nfs/dbraw/zinc/19/90/16/1053199016.db2.gz IWUGMDXFZCYSIB-QWRGUYRKSA-N 1 2 336.338 4.293 20 5 EIBDLO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC001195124799 1053285407 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LWDDZPILUVHXFP-BIENJYKASA-N 1 2 344.386 4.257 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000610217586 1019424493 /nfs/dbraw/zinc/42/44/93/1019424493.db2.gz LWDDZPILUVHXFP-BIENJYKASA-N 1 2 344.386 4.257 20 5 EIBDLO Cc1csc(C2([NH2+]Cc3cc(Cl)ccc3[N+](=O)[O-])CCC2)n1 ZINC000275232575 1020268429 /nfs/dbraw/zinc/26/84/29/1020268429.db2.gz WASQEFSPVQGZQG-UHFFFAOYSA-N 1 2 337.832 4.182 20 5 EIBDLO Cc1ccn2c(/C=C/c3ccc4cc([N+](=O)[O-])ccc4n3)c[nH+]c2c1 ZINC000471477640 1021137855 /nfs/dbraw/zinc/13/78/55/1021137855.db2.gz XELHLKAAYZANGW-SNAWJCMRSA-N 1 2 330.347 4.270 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Cl)cc2F)c(Cl)c1 ZINC000189189581 1023035450 /nfs/dbraw/zinc/03/54/50/1023035450.db2.gz MQDUANXTEHRNKZ-UHFFFAOYSA-N 1 2 329.158 4.331 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000549535290 1023967574 /nfs/dbraw/zinc/96/75/74/1023967574.db2.gz AHIXRUZQPUJIMS-IBGZPJMESA-N 1 2 344.386 4.461 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000549536831 1024002725 /nfs/dbraw/zinc/00/27/25/1024002725.db2.gz ZYGQUWSLRXAGHS-LJQANCHMSA-N 1 2 344.386 4.461 20 5 EIBDLO CC1=C(c2ccco2)C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000510620375 1024098438 /nfs/dbraw/zinc/09/84/38/1024098438.db2.gz SYFZPJAHYQIAAP-UHFFFAOYSA-N 1 2 334.322 4.145 20 5 EIBDLO CC1=C(c2ccco2)C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000510620375 1024098462 /nfs/dbraw/zinc/09/84/62/1024098462.db2.gz SYFZPJAHYQIAAP-UHFFFAOYSA-N 1 2 334.322 4.145 20 5 EIBDLO CSc1ccccc1[C@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510753776 1024403609 /nfs/dbraw/zinc/40/36/09/1024403609.db2.gz QXLIRLJISAVQND-JTQLQIEISA-N 1 2 338.379 4.446 20 5 EIBDLO CCC[C@H]([NH2+][C@@H](C)c1nnc([C@@H](C)CC)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000277266135 1025427106 /nfs/dbraw/zinc/42/71/06/1025427106.db2.gz PJMNHVPBJLCPBU-XEZPLFJOSA-N 1 2 345.447 4.418 20 5 EIBDLO C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc([N+](=O)[O-])cc1 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TYMLFSXVHOTLHE-UHFFFAOYSA-N 1 2 329.400 4.179 20 5 EIBDLO Cc1nc(C(C)C)oc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000428404930 1028642629 /nfs/dbraw/zinc/64/26/29/1028642629.db2.gz TYMLFSXVHOTLHE-UHFFFAOYSA-N 1 2 329.400 4.179 20 5 EIBDLO Cc1ccccc1[C@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000524756908 1029205219 /nfs/dbraw/zinc/20/52/19/1029205219.db2.gz QSOATHBSLISBOR-DNVCBOLYSA-N 1 2 326.396 4.038 20 5 EIBDLO Cc1ccccc1[C@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000524756908 1029205229 /nfs/dbraw/zinc/20/52/29/1029205229.db2.gz QSOATHBSLISBOR-DNVCBOLYSA-N 1 2 326.396 4.038 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cc(-c2ccccc2)no1)C1CC1 ZINC000441241234 1029981307 /nfs/dbraw/zinc/98/13/07/1029981307.db2.gz YJXIXIWODNOLMA-UHFFFAOYSA-N 1 2 349.390 4.414 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cc(-c2ccccc2)no1)C1CC1 ZINC000441241234 1029981323 /nfs/dbraw/zinc/98/13/23/1029981323.db2.gz YJXIXIWODNOLMA-UHFFFAOYSA-N 1 2 349.390 4.414 20 5 EIBDLO O=[N+]([O-])c1ccc2c(c1)[C@H](Nc1ccc(N3CCCC3)[nH+]c1)CCC2 ZINC000447593928 1030195373 /nfs/dbraw/zinc/19/53/73/1030195373.db2.gz VXCGZZJRFPYFKP-GOSISDBHSA-N 1 2 338.411 4.080 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000531440436 1031256167 /nfs/dbraw/zinc/25/61/67/1031256167.db2.gz BSYRBAJJAKLPSF-SFHVURJKSA-N 1 2 341.411 4.114 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000531440436 1031256200 /nfs/dbraw/zinc/25/62/00/1031256200.db2.gz BSYRBAJJAKLPSF-SFHVURJKSA-N 1 2 341.411 4.114 20 5 EIBDLO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2cnc(C3CC3)o2)c2ccccc2)c1 ZINC000453346440 1031873805 /nfs/dbraw/zinc/87/38/05/1031873805.db2.gz ICRMIMUCXCRHMW-IBGZPJMESA-N 1 2 349.390 4.339 20 5 EIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3cnc(C4CC4)o3)o2)cc1 ZINC000449702088 1031939772 /nfs/dbraw/zinc/93/97/72/1031939772.db2.gz YDPFZZOVRNPUEL-UHFFFAOYSA-N 1 2 339.351 4.010 20 5 EIBDLO COc1cccc([C@H]2CCC[N@@H+]2Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000509851294 1034173385 /nfs/dbraw/zinc/17/33/85/1034173385.db2.gz OOJMWGNCGSGYIR-GOSISDBHSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1cccc([C@H]2CCC[N@H+]2Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000509851294 1034173387 /nfs/dbraw/zinc/17/33/87/1034173387.db2.gz OOJMWGNCGSGYIR-GOSISDBHSA-N 1 2 348.349 4.219 20 5 EIBDLO Cc1cc([C@@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)ccc1F ZINC000491117844 1035812563 /nfs/dbraw/zinc/81/25/63/1035812563.db2.gz PSXJSBHDDQWISQ-LIRRHRJNSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1cc([C@@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)ccc1F ZINC000491117844 1035812566 /nfs/dbraw/zinc/81/25/66/1035812566.db2.gz PSXJSBHDDQWISQ-LIRRHRJNSA-N 1 2 344.386 4.177 20 5 EIBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CC4(C3)CCCC4)cs2)c1 ZINC000485299127 1035819691 /nfs/dbraw/zinc/81/96/91/1035819691.db2.gz FVSBRAIGWPIMQQ-UHFFFAOYSA-N 1 2 329.425 4.094 20 5 EIBDLO Nc1cccc2c1cc[nH+]c2N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000596253768 1035840547 /nfs/dbraw/zinc/84/05/47/1035840547.db2.gz DNCQVKDCEHBJGS-OAHLLOKOSA-N 1 2 348.406 4.109 20 5 EIBDLO O=[N+]([O-])c1ccc(Nc2ccc([NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000912731588 1038243986 /nfs/dbraw/zinc/24/39/86/1038243986.db2.gz VFWFPZDIMNONSZ-UHFFFAOYSA-N 1 2 342.355 4.237 20 5 EIBDLO CCc1nc(C(C)C)ccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000555301526 1039039828 /nfs/dbraw/zinc/03/98/28/1039039828.db2.gz IKYMTXVBENMBCN-UHFFFAOYSA-N 1 2 327.428 4.308 20 5 EIBDLO CCc1nc(C(C)C)ccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000555301526 1039039848 /nfs/dbraw/zinc/03/98/48/1039039848.db2.gz IKYMTXVBENMBCN-UHFFFAOYSA-N 1 2 327.428 4.308 20 5 EIBDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000505664623 1040277873 /nfs/dbraw/zinc/27/78/73/1040277873.db2.gz SINWDFYMRWIVFW-CQSZACIVSA-N 1 2 337.379 4.233 20 5 EIBDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000505664623 1040277890 /nfs/dbraw/zinc/27/78/90/1040277890.db2.gz SINWDFYMRWIVFW-CQSZACIVSA-N 1 2 337.379 4.233 20 5 EIBDLO C[C@@H](c1ccco1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089889443 1040515507 /nfs/dbraw/zinc/51/55/07/1040515507.db2.gz ZJFZMRQHKWBMBU-LBPRGKRZSA-N 1 2 327.340 4.036 20 5 EIBDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089889443 1040515522 /nfs/dbraw/zinc/51/55/22/1040515522.db2.gz ZJFZMRQHKWBMBU-LBPRGKRZSA-N 1 2 327.340 4.036 20 5 EIBDLO CC[N@H+](Cc1ccccc1Cl)Cc1cc([N+](=O)[O-])ccc1OC ZINC000515548699 1040848938 /nfs/dbraw/zinc/84/89/38/1040848938.db2.gz XMRFJDOFEVONGA-UHFFFAOYSA-N 1 2 334.803 4.279 20 5 EIBDLO CC[N@@H+](Cc1ccccc1Cl)Cc1cc([N+](=O)[O-])ccc1OC ZINC000515548699 1040848950 /nfs/dbraw/zinc/84/89/50/1040848950.db2.gz XMRFJDOFEVONGA-UHFFFAOYSA-N 1 2 334.803 4.279 20 5 EIBDLO CC(C)(C)Oc1cc(NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000538089206 1041041689 /nfs/dbraw/zinc/04/16/89/1041041689.db2.gz DFQISPYDOFGEOF-UHFFFAOYSA-N 1 2 344.415 4.081 20 5 EIBDLO CCc1ccc([C@@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000484358073 1041214069 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1 2 342.370 4.032 20 5 EIBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1c(F)cccc1F ZINC000761520530 1042874966 /nfs/dbraw/zinc/87/49/66/1042874966.db2.gz ABKXPVGLVMTQAY-VIFPVBQESA-N 1 2 326.730 4.377 20 5 EIBDLO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237182813 1042875146 /nfs/dbraw/zinc/87/51/46/1042875146.db2.gz SWUOBVIFYOEQOD-JTQLQIEISA-N 1 2 338.766 4.247 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)c1 ZINC000154658050 1044821860 /nfs/dbraw/zinc/82/18/60/1044821860.db2.gz REPFDHOAURGHOF-UHFFFAOYSA-N 1 2 338.363 4.096 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)c1 ZINC000154658050 1044821861 /nfs/dbraw/zinc/82/18/61/1044821861.db2.gz REPFDHOAURGHOF-UHFFFAOYSA-N 1 2 338.363 4.096 20 5 EIBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1OC(F)F ZINC000611378896 1045292523 /nfs/dbraw/zinc/29/25/23/1045292523.db2.gz YRCZHRKIMLLOHY-SNVBAGLBSA-N 1 2 340.301 4.186 20 5 EIBDLO C[C@@]12CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000792905171 1046099308 /nfs/dbraw/zinc/09/93/08/1046099308.db2.gz HVMZKDBMRRYHOU-QWHCGFSZSA-N 1 2 349.645 4.264 20 5 EIBDLO C[C@@]12CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000792905171 1046099321 /nfs/dbraw/zinc/09/93/21/1046099321.db2.gz HVMZKDBMRRYHOU-QWHCGFSZSA-N 1 2 349.645 4.264 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cnc(C2CCC2)s1)C1CC1 ZINC000154322571 1046812816 /nfs/dbraw/zinc/81/28/16/1046812816.db2.gz RRCXXVZRMXBCPN-UHFFFAOYSA-N 1 2 343.452 4.483 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cnc(C2CCC2)s1)C1CC1 ZINC000154322571 1046812818 /nfs/dbraw/zinc/81/28/18/1046812818.db2.gz RRCXXVZRMXBCPN-UHFFFAOYSA-N 1 2 343.452 4.483 20 5 EIBDLO COc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])cc1F ZINC000746651974 1046920775 /nfs/dbraw/zinc/92/07/75/1046920775.db2.gz DQMPVXCLLWTJSZ-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO COc1ccc(C[N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])cc1F ZINC000746651974 1046920766 /nfs/dbraw/zinc/92/07/66/1046920766.db2.gz 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CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000824820164 1047961190 /nfs/dbraw/zinc/96/11/90/1047961190.db2.gz ASAKERYMVFINCV-ZDUSSCGKSA-N 1 2 347.242 4.149 20 5 EIBDLO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809971578 1048574874 /nfs/dbraw/zinc/57/48/74/1048574874.db2.gz HWAHPXFJXMDCBZ-SSDOTTSWSA-N 1 2 344.198 4.357 20 5 EIBDLO O=[N+]([O-])c1sccc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000609333946 1049009908 /nfs/dbraw/zinc/00/99/08/1049009908.db2.gz YASHAZMEUNPWDX-UHFFFAOYSA-N 1 2 332.429 4.044 20 5 EIBDLO C[C@@H]1SCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000609829472 1049348798 /nfs/dbraw/zinc/34/87/98/1049348798.db2.gz VUHAKGJIGOODEN-UGSOOPFHSA-N 1 2 346.427 4.413 20 5 EIBDLO C[C@@H]1SCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000609829472 1049348814 /nfs/dbraw/zinc/34/88/14/1049348814.db2.gz VUHAKGJIGOODEN-UGSOOPFHSA-N 1 2 346.427 4.413 20 5 EIBDLO Cc1cccn2c(/C=C/c3ccc4c(cccc4[N+](=O)[O-])n3)c[nH+]c12 ZINC000610167220 1049561354 /nfs/dbraw/zinc/56/13/54/1049561354.db2.gz ZEMIJUBUQPOLMD-VQHVLOKHSA-N 1 2 330.347 4.270 20 5 EIBDLO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000181966646 1050406046 /nfs/dbraw/zinc/40/60/46/1050406046.db2.gz KPACGPQVSYVRDH-SECBINFHSA-N 1 2 326.730 4.377 20 5 EIBDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC000182345222 1050618884 /nfs/dbraw/zinc/61/88/84/1050618884.db2.gz TVGQGKSWTVXIIV-UHFFFAOYSA-N 1 2 339.848 4.346 20 5 EIBDLO C[C@@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccsc1 ZINC000619782603 1050901522 /nfs/dbraw/zinc/90/15/22/1050901522.db2.gz GAOHZRWBQSYHAG-GHMZBOCLSA-N 1 2 344.396 4.118 20 5 EIBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1Br ZINC001180281158 1050953119 /nfs/dbraw/zinc/95/31/19/1050953119.db2.gz XDFXLEXBTQSFBY-CABZTGNLSA-N 1 2 345.262 4.183 20 5 EIBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1Br ZINC001180281158 1050953131 /nfs/dbraw/zinc/95/31/31/1050953131.db2.gz XDFXLEXBTQSFBY-CABZTGNLSA-N 1 2 345.262 4.183 20 5 EIBDLO CC(C)(C)OC(=O)Nc1cc(Nc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC001174476214 1051016805 /nfs/dbraw/zinc/01/68/05/1051016805.db2.gz YCHSUQXUGDYICP-UHFFFAOYSA-N 1 2 330.344 4.080 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2coc(-c3ccccc3)n2)cc1Cl ZINC000131056188 1051840594 /nfs/dbraw/zinc/84/05/94/1051840594.db2.gz CELCAMNOEYUFHE-UHFFFAOYSA-N 1 2 343.770 4.193 20 5 EIBDLO CCc1ccc([C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC001194115274 1052075773 /nfs/dbraw/zinc/07/57/73/1052075773.db2.gz AAJMTSMSJFZUJG-QGZVFWFLSA-N 1 2 340.423 4.242 20 5 EIBDLO CCc1ccc([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC001194115274 1052075776 /nfs/dbraw/zinc/07/57/76/1052075776.db2.gz AAJMTSMSJFZUJG-QGZVFWFLSA-N 1 2 340.423 4.242 20 5 EIBDLO Cc1ccc2sc(C[NH2+][C@H](C)c3ccccc3[N+](=O)[O-])nc2c1 ZINC001197506115 1053928821 /nfs/dbraw/zinc/92/88/21/1053928821.db2.gz BZDMVASZSFGUNR-GFCCVEGCSA-N 1 2 327.409 4.364 20 5 EIBDLO C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872065087 1054375144 /nfs/dbraw/zinc/37/51/44/1054375144.db2.gz SPJVHIPFJUYECS-HZMBPMFUSA-N 1 2 334.322 4.047 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCc3ccc(Cl)nc32)c1 ZINC000857907335 1054381760 /nfs/dbraw/zinc/38/17/60/1054381760.db2.gz NSXVOXMMZHWNFB-CYBMUJFWSA-N 1 2 338.194 4.074 20 5 EIBDLO C[C@H]([NH2+][C@H](c1ccccn1)C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087190 1054384534 /nfs/dbraw/zinc/38/45/34/1054384534.db2.gz GWTRNTBOTUYSGA-SGTLLEGYSA-N 1 2 329.375 4.321 20 5 EIBDLO Cc1ccc([C@H](CC(F)(F)F)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1 ZINC001168969542 1060560530 /nfs/dbraw/zinc/56/05/30/1060560530.db2.gz WMXIDPZSHZVDQG-AWEZNQCLSA-N 1 2 339.317 4.082 20 5 EIBDLO O=[N+]([O-])c1ccc(NCCc2cn3ccccc3[nH+]2)c2ccccc21 ZINC001169009187 1060574092 /nfs/dbraw/zinc/57/40/92/1060574092.db2.gz ONGWQJVQWSIHGB-UHFFFAOYSA-N 1 2 332.363 4.050 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000274572047 1018814370 /nfs/dbraw/zinc/81/43/70/1018814370.db2.gz HLSHBEGDKJOFNA-DTWKUNHWSA-N 1 2 345.346 4.482 20 5 EIBDLO Cc1ccn2c(/C=C\c3ccc4cc([N+](=O)[O-])ccc4n3)c[nH+]c2c1 ZINC000471477639 1021138046 /nfs/dbraw/zinc/13/80/46/1021138046.db2.gz XELHLKAAYZANGW-PLNGDYQASA-N 1 2 330.347 4.270 20 5 EIBDLO C[C@@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000180403578 1022631139 /nfs/dbraw/zinc/63/11/39/1022631139.db2.gz XRMSYWGGJVCBET-GFCCVEGCSA-N 1 2 341.342 4.240 20 5 EIBDLO Cc1c([C@H](C)[NH2+]Cc2coc(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000177970267 1022973725 /nfs/dbraw/zinc/97/37/25/1022973725.db2.gz OYIXJBRBBABUHM-AWEZNQCLSA-N 1 2 337.379 4.409 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(C)c3ccccc3n2)cc1[N+](=O)[O-] ZINC000157182611 1023347981 /nfs/dbraw/zinc/34/79/81/1023347981.db2.gz UEMXQLLFLGYGBV-ZDUSSCGKSA-N 1 2 336.395 4.006 20 5 EIBDLO COc1cccc(Cl)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183801939 1023398751 /nfs/dbraw/zinc/39/87/51/1023398751.db2.gz WTUBKSZTEOMCGD-UHFFFAOYSA-N 1 2 341.194 4.200 20 5 EIBDLO COc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC000106466070 1023949031 /nfs/dbraw/zinc/94/90/31/1023949031.db2.gz CQNIDHIBDXQJCM-IBGZPJMESA-N 1 2 338.363 4.076 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473121761 1024288313 /nfs/dbraw/zinc/28/83/13/1024288313.db2.gz SKRNBVJQRYOJLM-UHFFFAOYSA-N 1 2 330.334 4.162 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473121761 1024288333 /nfs/dbraw/zinc/28/83/33/1024288333.db2.gz SKRNBVJQRYOJLM-UHFFFAOYSA-N 1 2 330.334 4.162 20 5 EIBDLO Cc1noc(C[N@@H+](C)C2c3ccccc3-c3ccccc32)c1[N+](=O)[O-] ZINC001167968477 1025911347 /nfs/dbraw/zinc/91/13/47/1025911347.db2.gz VMVWJNZBZNINFR-UHFFFAOYSA-N 1 2 335.363 4.093 20 5 EIBDLO Cc1noc(C[N@H+](C)C2c3ccccc3-c3ccccc32)c1[N+](=O)[O-] ZINC001167968477 1025911370 /nfs/dbraw/zinc/91/13/70/1025911370.db2.gz VMVWJNZBZNINFR-UHFFFAOYSA-N 1 2 335.363 4.093 20 5 EIBDLO CC(C)c1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccn21 ZINC000582126733 1027313514 /nfs/dbraw/zinc/31/35/14/1027313514.db2.gz QJEZOZWZZKJUNR-CQSZACIVSA-N 1 2 338.411 4.217 20 5 EIBDLO Nc1cc(CNc2nc3c(ccc4ccccc43)nc2Cl)cc[nH+]1 ZINC001167617552 1027351022 /nfs/dbraw/zinc/35/10/22/1027351022.db2.gz UDXJOHMHEKNUPQ-UHFFFAOYSA-N 1 2 335.798 4.026 20 5 EIBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(-c3ccco3)cc2F)cs1 ZINC000584212163 1029678482 /nfs/dbraw/zinc/67/84/82/1029678482.db2.gz MGXRSOQATJMFFD-UHFFFAOYSA-N 1 2 332.356 4.345 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000024250406 1030170720 /nfs/dbraw/zinc/17/07/20/1030170720.db2.gz CZCLIVMRIMEPQJ-NSHDSACASA-N 1 2 336.338 4.075 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000024250406 1030170735 /nfs/dbraw/zinc/17/07/35/1030170735.db2.gz CZCLIVMRIMEPQJ-NSHDSACASA-N 1 2 336.338 4.075 20 5 EIBDLO Cc1nc2ccccc2nc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179242263 1030460830 /nfs/dbraw/zinc/46/08/30/1030460830.db2.gz SPTRJWPLJYERTL-UHFFFAOYSA-N 1 2 348.406 4.011 20 5 EIBDLO Cc1nc2ccccc2nc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179242263 1030460843 /nfs/dbraw/zinc/46/08/43/1030460843.db2.gz SPTRJWPLJYERTL-UHFFFAOYSA-N 1 2 348.406 4.011 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3c2cccc3Cl)c(Cl)c1 ZINC000612185706 1031163646 /nfs/dbraw/zinc/16/36/46/1031163646.db2.gz CBEHIVZQEVJJSL-AWEZNQCLSA-N 1 2 339.178 4.125 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000182844692 1035003937 /nfs/dbraw/zinc/00/39/37/1035003937.db2.gz QDYIVSGIFCKJNH-GUYCJALGSA-N 1 2 332.425 4.099 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000182844692 1035003948 /nfs/dbraw/zinc/00/39/48/1035003948.db2.gz QDYIVSGIFCKJNH-GUYCJALGSA-N 1 2 332.425 4.099 20 5 EIBDLO CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])o1 ZINC000595335205 1035636226 /nfs/dbraw/zinc/63/62/26/1035636226.db2.gz SMFODADIAZNCFX-BXUZGUMPSA-N 1 2 333.388 4.020 20 5 EIBDLO CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])o1 ZINC000595335205 1035636249 /nfs/dbraw/zinc/63/62/49/1035636249.db2.gz SMFODADIAZNCFX-BXUZGUMPSA-N 1 2 333.388 4.020 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2nc3ccccc3s2)C2CC2)cc1 ZINC000490830180 1035675190 /nfs/dbraw/zinc/67/51/90/1035675190.db2.gz WJJPDEUFGOVHJO-UHFFFAOYSA-N 1 2 339.420 4.369 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2nc3ccccc3s2)C2CC2)cc1 ZINC000490830180 1035675204 /nfs/dbraw/zinc/67/52/04/1035675204.db2.gz WJJPDEUFGOVHJO-UHFFFAOYSA-N 1 2 339.420 4.369 20 5 EIBDLO CCOc1ccc([C@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc1[N+](=O)[O-] ZINC000423210429 1038038391 /nfs/dbraw/zinc/03/83/91/1038038391.db2.gz GGTRUMLUYYNGIR-LBPRGKRZSA-N 1 2 327.384 4.135 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000490089727 1038341848 /nfs/dbraw/zinc/34/18/48/1038341848.db2.gz OQRIRLUNISBWQR-SUNYJGFJSA-N 1 2 346.452 4.488 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000490089727 1038341864 /nfs/dbraw/zinc/34/18/64/1038341864.db2.gz OQRIRLUNISBWQR-SUNYJGFJSA-N 1 2 346.452 4.488 20 5 EIBDLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000481723816 1039787025 /nfs/dbraw/zinc/78/70/25/1039787025.db2.gz BHWCVIPBDBKKCH-CABZTGNLSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000481723816 1039787043 /nfs/dbraw/zinc/78/70/43/1039787043.db2.gz BHWCVIPBDBKKCH-CABZTGNLSA-N 1 2 336.741 4.411 20 5 EIBDLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000534967361 1039869806 /nfs/dbraw/zinc/86/98/06/1039869806.db2.gz VZFAGDNBTDNELZ-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000534967361 1039869809 /nfs/dbraw/zinc/86/98/09/1039869809.db2.gz VZFAGDNBTDNELZ-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCCCC[C@@H]3c3ccco3)nc2c1 ZINC000482695722 1040437103 /nfs/dbraw/zinc/43/71/03/1040437103.db2.gz OCLLIJNNSAATEA-MRXNPFEDSA-N 1 2 340.383 4.181 20 5 EIBDLO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCCC[C@@H]3c3ccco3)nc2c1 ZINC000482695722 1040437111 /nfs/dbraw/zinc/43/71/11/1040437111.db2.gz OCLLIJNNSAATEA-MRXNPFEDSA-N 1 2 340.383 4.181 20 5 EIBDLO CCc1cc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)on1 ZINC000539812307 1040804588 /nfs/dbraw/zinc/80/45/88/1040804588.db2.gz QOWGTWOJNBZHOW-LJQANCHMSA-N 1 2 337.379 4.024 20 5 EIBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000505800856 1041163486 /nfs/dbraw/zinc/16/34/86/1041163486.db2.gz FIBYQUULDZYIFQ-ZDUSSCGKSA-N 1 2 332.375 4.326 20 5 EIBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000505800856 1041163508 /nfs/dbraw/zinc/16/35/08/1041163508.db2.gz FIBYQUULDZYIFQ-ZDUSSCGKSA-N 1 2 332.375 4.326 20 5 EIBDLO Cc1cc(C)c([N+](=O)[O-])cc1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438329252 1042134999 /nfs/dbraw/zinc/13/49/99/1042134999.db2.gz PWVYGZXUXKKUKR-UHFFFAOYSA-N 1 2 336.395 4.069 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542121332 1042300025 /nfs/dbraw/zinc/30/00/25/1042300025.db2.gz JGENMAQSGKBOFV-UHFFFAOYSA-N 1 2 348.834 4.142 20 5 EIBDLO CC[C@](C)([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000266945267 1043164404 /nfs/dbraw/zinc/16/44/04/1043164404.db2.gz RGRMWXXDFSPLLS-HNNXBMFYSA-N 1 2 339.848 4.428 20 5 EIBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000124049890 1044819806 /nfs/dbraw/zinc/81/98/06/1044819806.db2.gz FXIOWIPBMIGPTJ-JTQLQIEISA-N 1 2 346.437 4.026 20 5 EIBDLO Cc1cc(C)c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000097213861 1045149214 /nfs/dbraw/zinc/14/92/14/1045149214.db2.gz YSBHOQQYANUELP-UHFFFAOYSA-N 1 2 341.411 4.465 20 5 EIBDLO CC(C)(C)Oc1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000767417090 1045522077 /nfs/dbraw/zinc/52/20/77/1045522077.db2.gz GVTQWGZESJIFEY-UHFFFAOYSA-N 1 2 349.818 4.110 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)c(N2CCC(c3c[nH]c[nH+]3)CC2)c(Cl)c1 ZINC000772107114 1046565791 /nfs/dbraw/zinc/56/57/91/1046565791.db2.gz VFGCGUANJYOYJU-UHFFFAOYSA-N 1 2 341.198 4.009 20 5 EIBDLO Cc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000536661132 1046627893 /nfs/dbraw/zinc/62/78/93/1046627893.db2.gz JQSCYLJETKWLMI-IFXJQAMLSA-N 1 2 344.386 4.004 20 5 EIBDLO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000536661132 1046627901 /nfs/dbraw/zinc/62/79/01/1046627901.db2.gz JQSCYLJETKWLMI-IFXJQAMLSA-N 1 2 344.386 4.004 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000746663262 1046949390 /nfs/dbraw/zinc/94/93/90/1046949390.db2.gz PCGQTJKEFREVKI-UHFFFAOYSA-N 1 2 346.814 4.292 20 5 EIBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000746672453 1046980848 /nfs/dbraw/zinc/98/08/48/1046980848.db2.gz TXYHZGWPYDMQIJ-KRWDZBQOSA-N 1 2 333.819 4.314 20 5 EIBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000746672453 1046980814 /nfs/dbraw/zinc/98/08/14/1046980814.db2.gz TXYHZGWPYDMQIJ-KRWDZBQOSA-N 1 2 333.819 4.314 20 5 EIBDLO C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1cccc([N+](=O)[O-])c1 ZINC000192544131 1047436130 /nfs/dbraw/zinc/43/61/30/1047436130.db2.gz KTJYDORWCCDKNF-NSHDSACASA-N 1 2 329.381 4.162 20 5 EIBDLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000609280611 1047484608 /nfs/dbraw/zinc/48/46/08/1047484608.db2.gz GFRMCBDPZMJVPP-HNNXBMFYSA-N 1 2 332.425 4.392 20 5 EIBDLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000609280611 1047484615 /nfs/dbraw/zinc/48/46/15/1047484615.db2.gz GFRMCBDPZMJVPP-HNNXBMFYSA-N 1 2 332.425 4.392 20 5 EIBDLO CC[N@H+](Cc1ccccn1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809953472 1048580782 /nfs/dbraw/zinc/58/07/82/1048580782.db2.gz JOZBYBWPDLTKRT-UHFFFAOYSA-N 1 2 340.210 4.319 20 5 EIBDLO CC[N@@H+](Cc1ccccn1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809953472 1048580800 /nfs/dbraw/zinc/58/08/00/1048580800.db2.gz JOZBYBWPDLTKRT-UHFFFAOYSA-N 1 2 340.210 4.319 20 5 EIBDLO CCn1ccc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000809986947 1048590775 /nfs/dbraw/zinc/59/07/75/1048590775.db2.gz PWXAJLZMAINYLR-UHFFFAOYSA-N 1 2 342.226 4.355 20 5 EIBDLO CCn1ccc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])c1 ZINC000809986947 1048590790 /nfs/dbraw/zinc/59/07/90/1048590790.db2.gz PWXAJLZMAINYLR-UHFFFAOYSA-N 1 2 342.226 4.355 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000810011051 1048602039 /nfs/dbraw/zinc/60/20/39/1048602039.db2.gz DJZNYZQANUBSPC-UONOGXRCSA-N 1 2 345.226 4.045 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000810011051 1048602042 /nfs/dbraw/zinc/60/20/42/1048602042.db2.gz DJZNYZQANUBSPC-UONOGXRCSA-N 1 2 345.226 4.045 20 5 EIBDLO C[C@H]1SCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000609829470 1049348981 /nfs/dbraw/zinc/34/89/81/1049348981.db2.gz VUHAKGJIGOODEN-FZKQIMNGSA-N 1 2 346.427 4.413 20 5 EIBDLO C[C@H]1SCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000609829470 1049348993 /nfs/dbraw/zinc/34/89/93/1049348993.db2.gz VUHAKGJIGOODEN-FZKQIMNGSA-N 1 2 346.427 4.413 20 5 EIBDLO Cc1ccc(C)c(OC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000064632396 1049378666 /nfs/dbraw/zinc/37/86/66/1049378666.db2.gz CMRBIJFEECKGMW-UHFFFAOYSA-N 1 2 346.452 4.317 20 5 EIBDLO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)cc1F ZINC000179626707 1049692122 /nfs/dbraw/zinc/69/21/22/1049692122.db2.gz SVNJAMVMALYFPJ-CQSZACIVSA-N 1 2 347.321 4.255 20 5 EIBDLO CCOc1cc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000617206841 1049966981 /nfs/dbraw/zinc/96/69/81/1049966981.db2.gz CGKFNBDWCIWAAX-INIZCTEOSA-N 1 2 330.359 4.080 20 5 EIBDLO CCOc1cc(C[N@H+]2CC[C@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000617206841 1049966991 /nfs/dbraw/zinc/96/69/91/1049966991.db2.gz CGKFNBDWCIWAAX-INIZCTEOSA-N 1 2 330.359 4.080 20 5 EIBDLO Cc1cnc(Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)c([N+](=O)[O-])c1 ZINC001185922865 1050195133 /nfs/dbraw/zinc/19/51/33/1050195133.db2.gz PKEIUQQUBSSRQC-CQSZACIVSA-N 1 2 341.415 4.124 20 5 EIBDLO O=[N+]([O-])c1ccc(SCc2c[nH+]cn2Cc2ccccc2)c(F)c1 ZINC000618963186 1050614426 /nfs/dbraw/zinc/61/44/26/1050614426.db2.gz JYBYKDJVUQIDKS-UHFFFAOYSA-N 1 2 343.383 4.271 20 5 EIBDLO Cc1c(CNc2[nH+]c3cc(Cl)ccc3n2C)cccc1[N+](=O)[O-] ZINC001179811581 1050786538 /nfs/dbraw/zinc/78/65/38/1050786538.db2.gz YTPZVTNYLSYDAJ-UHFFFAOYSA-N 1 2 330.775 4.055 20 5 EIBDLO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000182911483 1050876178 /nfs/dbraw/zinc/87/61/78/1050876178.db2.gz LVYWCLLJVKSSDH-LBPRGKRZSA-N 1 2 326.331 4.093 20 5 EIBDLO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000183918891 1051640363 /nfs/dbraw/zinc/64/03/63/1051640363.db2.gz VFVWHQCVZILOHK-UHFFFAOYSA-N 1 2 325.821 4.038 20 5 EIBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+](Cc1ccccc1F)C1CCC1 ZINC001192216037 1051666568 /nfs/dbraw/zinc/66/65/68/1051666568.db2.gz YMXNHTDIXFDKGP-UHFFFAOYSA-N 1 2 332.350 4.428 20 5 EIBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](Cc1ccccc1F)C1CCC1 ZINC001192216037 1051666574 /nfs/dbraw/zinc/66/65/74/1051666574.db2.gz YMXNHTDIXFDKGP-UHFFFAOYSA-N 1 2 332.350 4.428 20 5 EIBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1F ZINC001192801892 1051812118 /nfs/dbraw/zinc/81/21/18/1051812118.db2.gz JWSVLNKZVNSLOJ-VIFPVBQESA-N 1 2 326.730 4.377 20 5 EIBDLO C[N@H+](Cc1ccc(Cl)s1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083128542 1052833437 /nfs/dbraw/zinc/83/34/37/1052833437.db2.gz QELPOVNPXNMRKB-UHFFFAOYSA-N 1 2 337.788 4.083 20 5 EIBDLO C[N@@H+](Cc1ccc(Cl)s1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083128542 1052833442 /nfs/dbraw/zinc/83/34/42/1052833442.db2.gz QELPOVNPXNMRKB-UHFFFAOYSA-N 1 2 337.788 4.083 20 5 EIBDLO Cc1noc(C[N@@H+]2CCc3ccc(-c4ccccc4)cc3C2)c1[N+](=O)[O-] ZINC001194755650 1053097630 /nfs/dbraw/zinc/09/76/30/1053097630.db2.gz VZUOKTXEICNRRK-UHFFFAOYSA-N 1 2 349.390 4.117 20 5 EIBDLO Cc1noc(C[N@H+]2CCc3ccc(-c4ccccc4)cc3C2)c1[N+](=O)[O-] ZINC001194755650 1053097646 /nfs/dbraw/zinc/09/76/46/1053097646.db2.gz VZUOKTXEICNRRK-UHFFFAOYSA-N 1 2 349.390 4.117 20 5 EIBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001197683612 1053972921 /nfs/dbraw/zinc/97/29/21/1053972921.db2.gz YCUOVLAXVGUMBI-UHFFFAOYSA-N 1 2 342.370 4.051 20 5 EIBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC001197683612 1053972932 /nfs/dbraw/zinc/97/29/32/1053972932.db2.gz YCUOVLAXVGUMBI-UHFFFAOYSA-N 1 2 342.370 4.051 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1CSCc1[nH+]cc(C)c(OC)c1C ZINC000776896748 1054104597 /nfs/dbraw/zinc/10/45/97/1054104597.db2.gz PTHWFUJQSYFGTN-UHFFFAOYSA-N 1 2 348.424 4.057 20 5 EIBDLO CCc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001198821809 1054275054 /nfs/dbraw/zinc/27/50/54/1054275054.db2.gz XGOLQLCUURMTOB-UHFFFAOYSA-N 1 2 330.815 4.369 20 5 EIBDLO CCc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001198821809 1054275070 /nfs/dbraw/zinc/27/50/70/1054275070.db2.gz XGOLQLCUURMTOB-UHFFFAOYSA-N 1 2 330.815 4.369 20 5 EIBDLO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872017769 1054331952 /nfs/dbraw/zinc/33/19/52/1054331952.db2.gz DPJGPZRQTRDUDR-RYUDHWBXSA-N 1 2 348.374 4.163 20 5 EIBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000872032012 1054351549 /nfs/dbraw/zinc/35/15/49/1054351549.db2.gz OYSWBADLROATMA-QWRGUYRKSA-N 1 2 337.470 4.493 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000872053372 1054364809 /nfs/dbraw/zinc/36/48/09/1054364809.db2.gz JGEFXKPPQLRGLT-MNOVXSKESA-N 1 2 333.319 4.054 20 5 EIBDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccns1 ZINC000860061521 1054765986 /nfs/dbraw/zinc/76/59/86/1054765986.db2.gz KYNNLYYZJCTNEZ-SSDOTTSWSA-N 1 2 332.212 4.209 20 5 EIBDLO CC(C)(C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000553370766 1055430144 /nfs/dbraw/zinc/43/01/44/1055430144.db2.gz JOQDGABRRHQNBA-KRWDZBQOSA-N 1 2 332.375 4.317 20 5 EIBDLO Cc1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)nc2ccccc12 ZINC000532218697 1032098435 /nfs/dbraw/zinc/09/84/35/1032098435.db2.gz LKDWBAFXCSQLTJ-ZDUSSCGKSA-N 1 2 336.395 4.006 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000186826175 1032478235 /nfs/dbraw/zinc/47/82/35/1032478235.db2.gz AWHFSKUXEFGXEI-CYBMUJFWSA-N 1 2 347.415 4.057 20 5 EIBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000154280709 1019702954 /nfs/dbraw/zinc/70/29/54/1019702954.db2.gz COTBOENFRJKQPY-GFCCVEGCSA-N 1 2 349.456 4.424 20 5 EIBDLO Cc1cccc2[nH+]cc(/C=C/c3ccc4cc([N+](=O)[O-])ccc4n3)n21 ZINC000471475731 1021129398 /nfs/dbraw/zinc/12/93/98/1021129398.db2.gz JZMDVZWVJFBHMZ-BQYQJAHWSA-N 1 2 330.347 4.270 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1 ZINC000170791560 1022291623 /nfs/dbraw/zinc/29/16/23/1022291623.db2.gz GKHKMXWRLJMCRG-UHFFFAOYSA-N 1 2 338.363 4.096 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccco2)Cc2ccc(O)cc2)cc1 ZINC000170791560 1022291657 /nfs/dbraw/zinc/29/16/57/1022291657.db2.gz GKHKMXWRLJMCRG-UHFFFAOYSA-N 1 2 338.363 4.096 20 5 EIBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccc(C)o1)C1CC1 ZINC000610476264 1022820579 /nfs/dbraw/zinc/82/05/79/1022820579.db2.gz UDGOKVIFVYBUAC-UHFFFAOYSA-N 1 2 330.384 4.060 20 5 EIBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000610476264 1022820588 /nfs/dbraw/zinc/82/05/88/1022820588.db2.gz UDGOKVIFVYBUAC-UHFFFAOYSA-N 1 2 330.384 4.060 20 5 EIBDLO COc1ccc2c(c1)C[C@@H](C)[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]2C ZINC000540994967 1022843506 /nfs/dbraw/zinc/84/35/06/1022843506.db2.gz LXDFNRAHIWTZPH-VXGBXAGGSA-N 1 2 332.425 4.173 20 5 EIBDLO COc1ccc2c(c1)C[C@@H](C)[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]2C ZINC000540994967 1022843507 /nfs/dbraw/zinc/84/35/07/1022843507.db2.gz LXDFNRAHIWTZPH-VXGBXAGGSA-N 1 2 332.425 4.173 20 5 EIBDLO CC(C)c1nnc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417310417 1023256842 /nfs/dbraw/zinc/25/68/42/1023256842.db2.gz JZTXSEVRERFNOS-OAHLLOKOSA-N 1 2 346.456 4.127 20 5 EIBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000549506633 1023814236 /nfs/dbraw/zinc/81/42/36/1023814236.db2.gz AILSGVYEISGXFI-OAHLLOKOSA-N 1 2 339.317 4.279 20 5 EIBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000549506633 1023814238 /nfs/dbraw/zinc/81/42/38/1023814238.db2.gz AILSGVYEISGXFI-OAHLLOKOSA-N 1 2 339.317 4.279 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000432140423 1023896155 /nfs/dbraw/zinc/89/61/55/1023896155.db2.gz QEEHNSYCMSFCPP-UHFFFAOYSA-N 1 2 348.834 4.142 20 5 EIBDLO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1F ZINC000610581581 1024111111 /nfs/dbraw/zinc/11/11/11/1024111111.db2.gz WEXMDGHTSMPDKG-UHFFFAOYSA-N 1 2 343.358 4.286 20 5 EIBDLO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1F ZINC000610581581 1024111121 /nfs/dbraw/zinc/11/11/21/1024111121.db2.gz WEXMDGHTSMPDKG-UHFFFAOYSA-N 1 2 343.358 4.286 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccccc1OC(F)F)C1CC1 ZINC000215664048 1025204551 /nfs/dbraw/zinc/20/45/51/1025204551.db2.gz KEJFSBDXLFMBGN-UHFFFAOYSA-N 1 2 348.349 4.361 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccccc1OC(F)F)C1CC1 ZINC000215664048 1025204566 /nfs/dbraw/zinc/20/45/66/1025204566.db2.gz KEJFSBDXLFMBGN-UHFFFAOYSA-N 1 2 348.349 4.361 20 5 EIBDLO CC(C)c1ccc(C[NH2+][C@@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-] ZINC000513047497 1025670511 /nfs/dbraw/zinc/67/05/11/1025670511.db2.gz SPPCYAZDJFPSRY-NSHDSACASA-N 1 2 335.354 4.242 20 5 EIBDLO Cc1cccc(C2=CC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000444683579 1027967225 /nfs/dbraw/zinc/96/72/25/1027967225.db2.gz HZTVPWLWLAXHTK-UHFFFAOYSA-N 1 2 348.406 4.069 20 5 EIBDLO Cc1cccc(C2=CC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000444683579 1027967246 /nfs/dbraw/zinc/96/72/46/1027967246.db2.gz HZTVPWLWLAXHTK-UHFFFAOYSA-N 1 2 348.406 4.069 20 5 EIBDLO CCc1ccc([C@H]([NH2+]Cc2cccnc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346455994 1028440413 /nfs/dbraw/zinc/44/04/13/1028440413.db2.gz JWASIZGJSXTOPK-LJQANCHMSA-N 1 2 337.379 4.024 20 5 EIBDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000178684281 1033559345 /nfs/dbraw/zinc/55/93/45/1033559345.db2.gz QKCMHJGYKYDZRY-KRWDZBQOSA-N 1 2 331.803 4.289 20 5 EIBDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000178684281 1033559359 /nfs/dbraw/zinc/55/93/59/1033559359.db2.gz QKCMHJGYKYDZRY-KRWDZBQOSA-N 1 2 331.803 4.289 20 5 EIBDLO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000236964539 1034822070 /nfs/dbraw/zinc/82/20/70/1034822070.db2.gz TWHYZVIPYCMREE-QGZVFWFLSA-N 1 2 346.427 4.351 20 5 EIBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc2ccccc2c1 ZINC000595295684 1035619338 /nfs/dbraw/zinc/61/93/38/1035619338.db2.gz OYUGAVVCZQBUFV-UHFFFAOYSA-N 1 2 325.368 4.067 20 5 EIBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1ccc2ccccc2c1 ZINC000595295684 1035619358 /nfs/dbraw/zinc/61/93/58/1035619358.db2.gz OYUGAVVCZQBUFV-UHFFFAOYSA-N 1 2 325.368 4.067 20 5 EIBDLO O=C(C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000595384799 1035669319 /nfs/dbraw/zinc/66/93/19/1035669319.db2.gz NZEQTIZQMCBLTC-CQSZACIVSA-N 1 2 348.399 4.033 20 5 EIBDLO O=C(C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000595384799 1035669335 /nfs/dbraw/zinc/66/93/35/1035669335.db2.gz NZEQTIZQMCBLTC-CQSZACIVSA-N 1 2 348.399 4.033 20 5 EIBDLO Cc1noc(C[NH2+][C@H](c2ccc(Cl)cc2F)C(C)C)c1[N+](=O)[O-] ZINC000595426932 1035676843 /nfs/dbraw/zinc/67/68/43/1035676843.db2.gz UDVILTQOEFTOOO-AWEZNQCLSA-N 1 2 341.770 4.171 20 5 EIBDLO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(c3cccc(F)c3)CCC2)c(F)c1 ZINC000592145279 1037750888 /nfs/dbraw/zinc/75/08/88/1037750888.db2.gz TYQSUHQXKAWARD-UHFFFAOYSA-N 1 2 336.313 4.181 20 5 EIBDLO CCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ncccc1Cl ZINC000924956306 1037795767 /nfs/dbraw/zinc/79/57/67/1037795767.db2.gz YITSDXKOPUXVDE-OAHLLOKOSA-N 1 2 349.818 4.283 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000509969442 1037813111 /nfs/dbraw/zinc/81/31/11/1037813111.db2.gz IXDCZYIURNAAKO-UHFFFAOYSA-N 1 2 341.392 4.024 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1COc1cccc(-n2cc[nH+]c2)c1 ZINC000489191960 1037890341 /nfs/dbraw/zinc/89/03/41/1037890341.db2.gz CBTNFBGLXMBTMM-UHFFFAOYSA-N 1 2 329.743 4.013 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2nc3ccccc3s2)C2CC2)c1 ZINC000490202451 1038373017 /nfs/dbraw/zinc/37/30/17/1038373017.db2.gz NRRCOLWXXFBCHD-UHFFFAOYSA-N 1 2 339.420 4.369 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2nc3ccccc3s2)C2CC2)c1 ZINC000490202451 1038373033 /nfs/dbraw/zinc/37/30/33/1038373033.db2.gz NRRCOLWXXFBCHD-UHFFFAOYSA-N 1 2 339.420 4.369 20 5 EIBDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000505694623 1040380711 /nfs/dbraw/zinc/38/07/11/1040380711.db2.gz OMVYWKLDRYKDJZ-CQSZACIVSA-N 1 2 337.379 4.233 20 5 EIBDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000505694623 1040380729 /nfs/dbraw/zinc/38/07/29/1040380729.db2.gz OMVYWKLDRYKDJZ-CQSZACIVSA-N 1 2 337.379 4.233 20 5 EIBDLO Cc1ccc([C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000192751328 1040477249 /nfs/dbraw/zinc/47/72/49/1040477249.db2.gz OHSYHGNXJDPKAT-CQSZACIVSA-N 1 2 326.400 4.072 20 5 EIBDLO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425395021 1040488850 /nfs/dbraw/zinc/48/88/50/1040488850.db2.gz GZWPQGZOQBMMPT-SNVBAGLBSA-N 1 2 339.189 4.143 20 5 EIBDLO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425395021 1040488860 /nfs/dbraw/zinc/48/88/60/1040488860.db2.gz GZWPQGZOQBMMPT-SNVBAGLBSA-N 1 2 339.189 4.143 20 5 EIBDLO Cc1noc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595531295 1041786527 /nfs/dbraw/zinc/78/65/27/1041786527.db2.gz WDHJTUFMKYKKII-KRWDZBQOSA-N 1 2 327.384 4.009 20 5 EIBDLO Cc1noc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595531295 1041786530 /nfs/dbraw/zinc/78/65/30/1041786530.db2.gz WDHJTUFMKYKKII-KRWDZBQOSA-N 1 2 327.384 4.009 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000549928239 1042491791 /nfs/dbraw/zinc/49/17/91/1042491791.db2.gz KZIBETDKHFMAIS-LJQANCHMSA-N 1 2 344.386 4.461 20 5 EIBDLO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492176193 1042571910 /nfs/dbraw/zinc/57/19/10/1042571910.db2.gz QRUWETRZVUBDNU-HNNXBMFYSA-N 1 2 348.830 4.021 20 5 EIBDLO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492176193 1042571915 /nfs/dbraw/zinc/57/19/15/1042571915.db2.gz QRUWETRZVUBDNU-HNNXBMFYSA-N 1 2 348.830 4.021 20 5 EIBDLO COc1ccc2c(c1)CCC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000523857971 1043409197 /nfs/dbraw/zinc/40/91/97/1043409197.db2.gz LWNBQIKPSKNRAR-UHFFFAOYSA-N 1 2 346.814 4.205 20 5 EIBDLO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000523857971 1043409204 /nfs/dbraw/zinc/40/92/04/1043409204.db2.gz LWNBQIKPSKNRAR-UHFFFAOYSA-N 1 2 346.814 4.205 20 5 EIBDLO CC[C@@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000173503037 1043981937 /nfs/dbraw/zinc/98/19/37/1043981937.db2.gz XFDVMPHLEWKCKH-CQSZACIVSA-N 1 2 325.821 4.120 20 5 EIBDLO CC(C)([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nccs1 ZINC000116381080 1044190883 /nfs/dbraw/zinc/19/08/83/1044190883.db2.gz NUYBVLLRHABYDG-UHFFFAOYSA-N 1 2 343.408 4.336 20 5 EIBDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000766139155 1044321707 /nfs/dbraw/zinc/32/17/07/1044321707.db2.gz MAOOPNFZPVVJFN-KRWDZBQOSA-N 1 2 331.803 4.289 20 5 EIBDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000766139155 1044321727 /nfs/dbraw/zinc/32/17/27/1044321727.db2.gz MAOOPNFZPVVJFN-KRWDZBQOSA-N 1 2 331.803 4.289 20 5 EIBDLO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000734839709 1044695836 /nfs/dbraw/zinc/69/58/36/1044695836.db2.gz IMZMFTDGXMBCAG-SFHVURJKSA-N 1 2 346.427 4.332 20 5 EIBDLO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000734839709 1044695843 /nfs/dbraw/zinc/69/58/43/1044695843.db2.gz IMZMFTDGXMBCAG-SFHVURJKSA-N 1 2 346.427 4.332 20 5 EIBDLO COc1ccc2c(c1)CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000735492358 1044832040 /nfs/dbraw/zinc/83/20/40/1044832040.db2.gz QDAQPZKPDYQNPK-UHFFFAOYSA-N 1 2 346.814 4.205 20 5 EIBDLO COc1ccc2c(c1)CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000735492358 1044832044 /nfs/dbraw/zinc/83/20/44/1044832044.db2.gz QDAQPZKPDYQNPK-UHFFFAOYSA-N 1 2 346.814 4.205 20 5 EIBDLO O=[N+]([O-])c1ccc(NCc2ccccc2-n2cc[nH+]c2)c(Cl)c1 ZINC000302011660 1045153658 /nfs/dbraw/zinc/15/36/58/1045153658.db2.gz YXZXUBOMSHAOEI-UHFFFAOYSA-N 1 2 328.759 4.046 20 5 EIBDLO CC[C@@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000611336327 1045282228 /nfs/dbraw/zinc/28/22/28/1045282228.db2.gz HJWCSILBVWBHLI-CQSZACIVSA-N 1 2 342.292 4.392 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)cc1NCc1ccccc1-n1cc[nH+]c1 ZINC000791412700 1045737802 /nfs/dbraw/zinc/73/78/02/1045737802.db2.gz IQFUIEMAVYCDMU-UHFFFAOYSA-N 1 2 328.759 4.046 20 5 EIBDLO CC(C)OC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000809944292 1048568721 /nfs/dbraw/zinc/56/87/21/1048568721.db2.gz MHCRRHKZFPYUJK-UHFFFAOYSA-N 1 2 347.242 4.291 20 5 EIBDLO C[C@H](c1ccccn1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809968089 1048576102 /nfs/dbraw/zinc/57/61/02/1048576102.db2.gz MXOVLXILCBPTBK-SNVBAGLBSA-N 1 2 340.210 4.490 20 5 EIBDLO C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809968089 1048576116 /nfs/dbraw/zinc/57/61/16/1048576116.db2.gz MXOVLXILCBPTBK-SNVBAGLBSA-N 1 2 340.210 4.490 20 5 EIBDLO C[C@H](CSc1ccccc1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC001171773509 1049795281 /nfs/dbraw/zinc/79/52/81/1049795281.db2.gz XNHDBYYQBMBDGH-CYBMUJFWSA-N 1 2 334.416 4.347 20 5 EIBDLO C[C@H](CSc1ccccc1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC001171773509 1049795291 /nfs/dbraw/zinc/79/52/91/1049795291.db2.gz XNHDBYYQBMBDGH-CYBMUJFWSA-N 1 2 334.416 4.347 20 5 EIBDLO CCOc1cc(C[N@@H+]2CCc3cccc(Cl)c3C2)ccc1[N+](=O)[O-] ZINC001171006459 1049824475 /nfs/dbraw/zinc/82/44/75/1049824475.db2.gz HHNXBCTWXVWPQK-UHFFFAOYSA-N 1 2 346.814 4.205 20 5 EIBDLO CCOc1cc(C[N@H+]2CCc3cccc(Cl)c3C2)ccc1[N+](=O)[O-] ZINC001171006459 1049824478 /nfs/dbraw/zinc/82/44/78/1049824478.db2.gz HHNXBCTWXVWPQK-UHFFFAOYSA-N 1 2 346.814 4.205 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000180266960 1049870001 /nfs/dbraw/zinc/87/00/01/1049870001.db2.gz GUJFAVSPSDSQAV-SNVBAGLBSA-N 1 2 340.210 4.456 20 5 EIBDLO CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC001190570777 1051218184 /nfs/dbraw/zinc/21/81/84/1051218184.db2.gz JMOHZHHTMRPXJC-IBGZPJMESA-N 1 2 326.396 4.200 20 5 EIBDLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774270819 1051539191 /nfs/dbraw/zinc/53/91/91/1051539191.db2.gz HHOLXXMBQZPQQF-IBGZPJMESA-N 1 2 325.412 4.459 20 5 EIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Br)o1 ZINC000072562105 1052434295 /nfs/dbraw/zinc/43/42/95/1052434295.db2.gz OCFYWGPREOLLGX-JTQLQIEISA-N 1 2 339.189 4.143 20 5 EIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(Br)o1 ZINC000072562105 1052434297 /nfs/dbraw/zinc/43/42/97/1052434297.db2.gz OCFYWGPREOLLGX-JTQLQIEISA-N 1 2 339.189 4.143 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000850425042 1053200948 /nfs/dbraw/zinc/20/09/48/1053200948.db2.gz IWUGMDXFZCYSIB-WDEREUQCSA-N 1 2 336.338 4.293 20 5 EIBDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000872026421 1054341313 /nfs/dbraw/zinc/34/13/13/1054341313.db2.gz ANVMZUYRMYMCQM-GHMZBOCLSA-N 1 2 333.319 4.054 20 5 EIBDLO C[C@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872058338 1054368306 /nfs/dbraw/zinc/36/83/06/1054368306.db2.gz RTXUGOGBULQTFN-NHYWBVRUSA-N 1 2 348.349 4.438 20 5 EIBDLO C[C@@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060571 1054369600 /nfs/dbraw/zinc/36/96/00/1054369600.db2.gz RIDOCDVUZOQJMZ-GFCCVEGCSA-N 1 2 347.390 4.157 20 5 EIBDLO CCSc1cc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])ccn1 ZINC000872064660 1054373790 /nfs/dbraw/zinc/37/37/90/1054373790.db2.gz JGPRPXPABVHJTC-NSHDSACASA-N 1 2 335.404 4.092 20 5 EIBDLO COCc1cc[nH+]c(N[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC000872083381 1054383596 /nfs/dbraw/zinc/38/35/96/1054383596.db2.gz LMEXUSONFPUWAN-NSHDSACASA-N 1 2 333.413 4.031 20 5 EIBDLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000741795592 1058373216 /nfs/dbraw/zinc/37/32/16/1058373216.db2.gz ZLBXAVNJDCJCFM-NSHDSACASA-N 1 2 337.420 4.254 20 5 EIBDLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000741795592 1058373237 /nfs/dbraw/zinc/37/32/37/1058373237.db2.gz ZLBXAVNJDCJCFM-NSHDSACASA-N 1 2 337.420 4.254 20 5 EIBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(Br)c1 ZINC000536630682 1032090205 /nfs/dbraw/zinc/09/02/05/1032090205.db2.gz BDBLXERXTZQBTB-UHFFFAOYSA-N 1 2 341.230 4.051 20 5 EIBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(Br)c1 ZINC000536630682 1032090220 /nfs/dbraw/zinc/09/02/20/1032090220.db2.gz BDBLXERXTZQBTB-UHFFFAOYSA-N 1 2 341.230 4.051 20 5 EIBDLO O=C(C[C@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000134827089 1020026644 /nfs/dbraw/zinc/02/66/44/1020026644.db2.gz VKXVBXADCFHHTD-OAHLLOKOSA-N 1 2 348.399 4.033 20 5 EIBDLO O=C(C[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000134827089 1020026656 /nfs/dbraw/zinc/02/66/56/1020026656.db2.gz VKXVBXADCFHHTD-OAHLLOKOSA-N 1 2 348.399 4.033 20 5 EIBDLO Cc1c([C@@H](C)[NH2+]Cc2c(F)c(F)cc(F)c2F)cccc1[N+](=O)[O-] ZINC000090228496 1020349594 /nfs/dbraw/zinc/34/95/94/1020349594.db2.gz AGELNLXIOINZPQ-SECBINFHSA-N 1 2 342.292 4.310 20 5 EIBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@]1(c2ccccc2)CCCCC1=O ZINC000472596725 1022733711 /nfs/dbraw/zinc/73/37/11/1022733711.db2.gz BKZKDFBFBVFMFL-FQEVSTJZSA-N 1 2 338.407 4.065 20 5 EIBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@]1(c2ccccc2)CCCCC1=O ZINC000472596725 1022733734 /nfs/dbraw/zinc/73/37/34/1022733734.db2.gz BKZKDFBFBVFMFL-FQEVSTJZSA-N 1 2 338.407 4.065 20 5 EIBDLO CCN(CC)c1ccc(Nc2ccc([N+](=O)[O-])c3cnccc23)c[nH+]1 ZINC000108085396 1023994133 /nfs/dbraw/zinc/99/41/33/1023994133.db2.gz FJXLVPSRVWVFJL-UHFFFAOYSA-N 1 2 337.383 4.128 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000549536830 1024004104 /nfs/dbraw/zinc/00/41/04/1024004104.db2.gz ZYGQUWSLRXAGHS-IBGZPJMESA-N 1 2 344.386 4.461 20 5 EIBDLO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](c2ccco2)C1 ZINC000610582458 1024124408 /nfs/dbraw/zinc/12/44/08/1024124408.db2.gz JQJHSKUIMHUOAJ-SWLSCSKDSA-N 1 2 341.367 4.302 20 5 EIBDLO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](c2ccco2)C1 ZINC000610582458 1024124439 /nfs/dbraw/zinc/12/44/39/1024124439.db2.gz JQJHSKUIMHUOAJ-SWLSCSKDSA-N 1 2 341.367 4.302 20 5 EIBDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000430874344 1024155627 /nfs/dbraw/zinc/15/56/27/1024155627.db2.gz ZLEZPEGZBLKPLF-KOEDOTQGSA-N 1 2 340.427 4.052 20 5 EIBDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000430874344 1024155652 /nfs/dbraw/zinc/15/56/52/1024155652.db2.gz ZLEZPEGZBLKPLF-KOEDOTQGSA-N 1 2 340.427 4.052 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000548597829 1025684094 /nfs/dbraw/zinc/68/40/94/1025684094.db2.gz YCUSCVITWFVTEV-CYBMUJFWSA-N 1 2 347.415 4.057 20 5 EIBDLO CCOc1ccccc1C1=CC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000512375330 1026815052 /nfs/dbraw/zinc/81/50/52/1026815052.db2.gz PZQQOHHDTLWSNU-UHFFFAOYSA-N 1 2 344.436 4.344 20 5 EIBDLO CCOc1ccccc1C1=CC[N@@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000512375330 1026815056 /nfs/dbraw/zinc/81/50/56/1026815056.db2.gz PZQQOHHDTLWSNU-UHFFFAOYSA-N 1 2 344.436 4.344 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000178728912 1027775020 /nfs/dbraw/zinc/77/50/20/1027775020.db2.gz NTVKOWACTHMLNM-JTQLQIEISA-N 1 2 338.766 4.247 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C2CC2)c1 ZINC000179318055 1030898913 /nfs/dbraw/zinc/89/89/13/1030898913.db2.gz XYUQBNIXEZEUOO-UHFFFAOYSA-N 1 2 348.406 4.150 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C2CC2)c1 ZINC000179318055 1030898923 /nfs/dbraw/zinc/89/89/23/1030898923.db2.gz XYUQBNIXEZEUOO-UHFFFAOYSA-N 1 2 348.406 4.150 20 5 EIBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000780383883 1031066722 /nfs/dbraw/zinc/06/67/22/1031066722.db2.gz CMZBJEHBFZKYGH-MWLCHTKSSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000780383883 1031066743 /nfs/dbraw/zinc/06/67/43/1031066743.db2.gz CMZBJEHBFZKYGH-MWLCHTKSSA-N 1 2 336.741 4.411 20 5 EIBDLO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]Cc3cnc(C4CC4)o3)o2)c1 ZINC000449698884 1031934933 /nfs/dbraw/zinc/93/49/33/1031934933.db2.gz PQVYPPPMAMXJMS-UHFFFAOYSA-N 1 2 339.351 4.010 20 5 EIBDLO CSc1cccc(F)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000512566372 1033385628 /nfs/dbraw/zinc/38/56/28/1033385628.db2.gz WTCIBWIZSBDRJG-UHFFFAOYSA-N 1 2 340.807 4.399 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000595024181 1035510898 /nfs/dbraw/zinc/51/08/98/1035510898.db2.gz YBSAXUZQQYKGGI-LBPRGKRZSA-N 1 2 330.359 4.082 20 5 EIBDLO CCC(CC)c1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)on1 ZINC000595027264 1035558466 /nfs/dbraw/zinc/55/84/66/1035558466.db2.gz QYEABAWIHQQGOF-LBPRGKRZSA-N 1 2 347.415 4.346 20 5 EIBDLO Cc1noc(C[N@@H+]2Cc3ccccc3C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595327740 1035629152 /nfs/dbraw/zinc/62/91/52/1035629152.db2.gz TYHLASSAZQFLES-SFHVURJKSA-N 1 2 349.390 4.191 20 5 EIBDLO Cc1noc(C[N@H+]2Cc3ccccc3C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595327740 1035629170 /nfs/dbraw/zinc/62/91/70/1035629170.db2.gz TYHLASSAZQFLES-SFHVURJKSA-N 1 2 349.390 4.191 20 5 EIBDLO Cc1noc(C[N@@H+]([C@H](C)c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595359470 1035668996 /nfs/dbraw/zinc/66/89/96/1035668996.db2.gz NNNSDICGJSARFL-LLVKDONJSA-N 1 2 335.791 4.270 20 5 EIBDLO Cc1noc(C[N@H+]([C@H](C)c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595359470 1035669001 /nfs/dbraw/zinc/66/90/01/1035669001.db2.gz NNNSDICGJSARFL-LLVKDONJSA-N 1 2 335.791 4.270 20 5 EIBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000596067357 1035819816 /nfs/dbraw/zinc/81/98/16/1035819816.db2.gz KZEKKPJXIQYFCT-UHFFFAOYSA-N 1 2 348.353 4.140 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000599624171 1037094076 /nfs/dbraw/zinc/09/40/76/1037094076.db2.gz SXEYOMPZIQVNEG-GFCCVEGCSA-N 1 2 328.359 4.002 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000599624171 1037094098 /nfs/dbraw/zinc/09/40/98/1037094098.db2.gz SXEYOMPZIQVNEG-GFCCVEGCSA-N 1 2 328.359 4.002 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000599624173 1037096145 /nfs/dbraw/zinc/09/61/45/1037096145.db2.gz SXEYOMPZIQVNEG-LBPRGKRZSA-N 1 2 328.359 4.002 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000599624173 1037096151 /nfs/dbraw/zinc/09/61/51/1037096151.db2.gz SXEYOMPZIQVNEG-LBPRGKRZSA-N 1 2 328.359 4.002 20 5 EIBDLO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000573334412 1037481677 /nfs/dbraw/zinc/48/16/77/1037481677.db2.gz PENRJLBJHJVJPF-INIZCTEOSA-N 1 2 332.425 4.248 20 5 EIBDLO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000573334412 1037481686 /nfs/dbraw/zinc/48/16/86/1037481686.db2.gz PENRJLBJHJVJPF-INIZCTEOSA-N 1 2 332.425 4.248 20 5 EIBDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000912730324 1038235968 /nfs/dbraw/zinc/23/59/68/1038235968.db2.gz BGNMVBMFNFACRZ-UHFFFAOYSA-N 1 2 342.355 4.155 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000490089721 1038340701 /nfs/dbraw/zinc/34/07/01/1038340701.db2.gz OQRIRLUNISBWQR-GLJUWKHASA-N 1 2 346.452 4.488 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000490089721 1038340717 /nfs/dbraw/zinc/34/07/17/1038340717.db2.gz OQRIRLUNISBWQR-GLJUWKHASA-N 1 2 346.452 4.488 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000555417020 1039184367 /nfs/dbraw/zinc/18/43/67/1039184367.db2.gz OYGQINTXQJTAMC-IBGZPJMESA-N 1 2 326.396 4.322 20 5 EIBDLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000505694619 1040378436 /nfs/dbraw/zinc/37/84/36/1040378436.db2.gz OMVYWKLDRYKDJZ-AWEZNQCLSA-N 1 2 337.379 4.233 20 5 EIBDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000505694619 1040378447 /nfs/dbraw/zinc/37/84/47/1040378447.db2.gz OMVYWKLDRYKDJZ-AWEZNQCLSA-N 1 2 337.379 4.233 20 5 EIBDLO COc1cc(C[N@H+](Cc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000463501171 1041595112 /nfs/dbraw/zinc/59/51/12/1041595112.db2.gz QRTUUYWNWKPLIH-UHFFFAOYSA-N 1 2 348.349 4.046 20 5 EIBDLO COc1cc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000463501171 1041595114 /nfs/dbraw/zinc/59/51/14/1041595114.db2.gz QRTUUYWNWKPLIH-UHFFFAOYSA-N 1 2 348.349 4.046 20 5 EIBDLO COc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])cc1F ZINC000463496318 1041601533 /nfs/dbraw/zinc/60/15/33/1041601533.db2.gz QSVPJNHBRBTSEL-MRXNPFEDSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c([N+](=O)[O-])cc1F ZINC000463496318 1041601535 /nfs/dbraw/zinc/60/15/35/1041601535.db2.gz QSVPJNHBRBTSEL-MRXNPFEDSA-N 1 2 348.349 4.219 20 5 EIBDLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000464726288 1042142174 /nfs/dbraw/zinc/14/21/74/1042142174.db2.gz RQDMZSWARLIVCQ-KZULUSFZSA-N 1 2 332.350 4.456 20 5 EIBDLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000464726288 1042142176 /nfs/dbraw/zinc/14/21/76/1042142176.db2.gz RQDMZSWARLIVCQ-KZULUSFZSA-N 1 2 332.350 4.456 20 5 EIBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000506279690 1042243872 /nfs/dbraw/zinc/24/38/72/1042243872.db2.gz GESQKQUOYZXIJQ-ALCCZGGFSA-N 1 2 333.391 4.148 20 5 EIBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000506279690 1042243881 /nfs/dbraw/zinc/24/38/81/1042243881.db2.gz GESQKQUOYZXIJQ-ALCCZGGFSA-N 1 2 333.391 4.148 20 5 EIBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000282466788 1043171610 /nfs/dbraw/zinc/17/16/10/1043171610.db2.gz KKUFMXKJCSCQDE-ZETCQYMHSA-N 1 2 349.309 4.060 20 5 EIBDLO CC(C)(C)c1nc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000080346984 1044157007 /nfs/dbraw/zinc/15/70/07/1044157007.db2.gz VINFOFGYAXXQSB-UHFFFAOYSA-N 1 2 333.457 4.374 20 5 EIBDLO c1cn(Cc2nc(-c3cc4ccccc4c4ccccc34)no2)c[nH+]1 ZINC001212537218 1044195784 /nfs/dbraw/zinc/19/57/84/1044195784.db2.gz DKPZBLVXCZZCIX-UHFFFAOYSA-N 1 2 326.359 4.288 20 5 EIBDLO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccc(Cl)c1Cl ZINC001168758531 1044379297 /nfs/dbraw/zinc/37/92/97/1044379297.db2.gz UEERQQIEPIYSPD-SECBINFHSA-N 1 2 326.183 4.147 20 5 EIBDLO Cc1ccccc1[C@H](CC(C)C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC001168724038 1044589037 /nfs/dbraw/zinc/58/90/37/1044589037.db2.gz QVOCFBYWDJNKBS-SFHVURJKSA-N 1 2 328.412 4.486 20 5 EIBDLO CCOc1c(Cl)cccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000495072610 1044640567 /nfs/dbraw/zinc/64/05/67/1044640567.db2.gz SZOCSCPIYQRZCL-UHFFFAOYSA-N 1 2 334.803 4.279 20 5 EIBDLO CCOc1c(Cl)cccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000495072610 1044640582 /nfs/dbraw/zinc/64/05/82/1044640582.db2.gz SZOCSCPIYQRZCL-UHFFFAOYSA-N 1 2 334.803 4.279 20 5 EIBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccc(F)cc1F ZINC000783520130 1044681866 /nfs/dbraw/zinc/68/18/66/1044681866.db2.gz ANOQKSMMQDMPFP-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccc(F)cc1F ZINC000783520130 1044681876 /nfs/dbraw/zinc/68/18/76/1044681876.db2.gz ANOQKSMMQDMPFP-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO O=S1CC[NH+](Cc2c3ccccc3c(Cl)c3ccccc32)CC1 ZINC000769328746 1045924702 /nfs/dbraw/zinc/92/47/02/1045924702.db2.gz APXMRDJYJYHXDH-UHFFFAOYSA-N 1 2 343.879 4.211 20 5 EIBDLO C[C@@]12CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000792907042 1046100176 /nfs/dbraw/zinc/10/01/76/1046100176.db2.gz PKWGSMROMFQGOB-QWHCGFSZSA-N 1 2 349.645 4.264 20 5 EIBDLO C[C@@]12CC[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000792907042 1046100182 /nfs/dbraw/zinc/10/01/82/1046100182.db2.gz PKWGSMROMFQGOB-QWHCGFSZSA-N 1 2 349.645 4.264 20 5 EIBDLO Cc1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000536661134 1046626266 /nfs/dbraw/zinc/62/62/66/1046626266.db2.gz JQSCYLJETKWLMI-LIRRHRJNSA-N 1 2 344.386 4.004 20 5 EIBDLO Cc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000536661134 1046626269 /nfs/dbraw/zinc/62/62/69/1046626269.db2.gz JQSCYLJETKWLMI-LIRRHRJNSA-N 1 2 344.386 4.004 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1F ZINC000788482463 1047213331 /nfs/dbraw/zinc/21/33/31/1047213331.db2.gz WLBHHSRCKNIROP-QGZVFWFLSA-N 1 2 332.400 4.024 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1F ZINC000788482463 1047213339 /nfs/dbraw/zinc/21/33/39/1047213339.db2.gz WLBHHSRCKNIROP-QGZVFWFLSA-N 1 2 332.400 4.024 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000788532670 1047231492 /nfs/dbraw/zinc/23/14/92/1047231492.db2.gz SGEMENHFRNYZJI-UHFFFAOYSA-N 1 2 347.148 4.470 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000537533666 1047675058 /nfs/dbraw/zinc/67/50/58/1047675058.db2.gz MRHWKJPBOHAHSC-CYBMUJFWSA-N 1 2 340.358 4.401 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000810011049 1048601520 /nfs/dbraw/zinc/60/15/20/1048601520.db2.gz DJZNYZQANUBSPC-KGLIPLIRSA-N 1 2 345.226 4.045 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000810011049 1048601532 /nfs/dbraw/zinc/60/15/32/1048601532.db2.gz DJZNYZQANUBSPC-KGLIPLIRSA-N 1 2 345.226 4.045 20 5 EIBDLO CCOc1ccccc1C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705552 1049275761 /nfs/dbraw/zinc/27/57/61/1049275761.db2.gz VMYDMYYOQCBVER-UHFFFAOYSA-N 1 2 334.803 4.279 20 5 EIBDLO CCOc1ccccc1C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609705552 1049275780 /nfs/dbraw/zinc/27/57/80/1049275780.db2.gz VMYDMYYOQCBVER-UHFFFAOYSA-N 1 2 334.803 4.279 20 5 EIBDLO CN(Cc1c2ccccc2cc2ccccc21)C(=O)CCc1[nH]cc[nH+]1 ZINC001177995199 1050364439 /nfs/dbraw/zinc/36/44/39/1050364439.db2.gz VGMHTDRRLZXJPR-UHFFFAOYSA-N 1 2 343.430 4.307 20 5 EIBDLO C[C@@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000775191356 1050831595 /nfs/dbraw/zinc/83/15/95/1050831595.db2.gz GTDUSUHDCYIURT-SSDOTTSWSA-N 1 2 346.255 4.141 20 5 EIBDLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774270827 1051538022 /nfs/dbraw/zinc/53/80/22/1051538022.db2.gz HHOLXXMBQZPQQF-LJQANCHMSA-N 1 2 325.412 4.459 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000184454109 1053000946 /nfs/dbraw/zinc/00/09/46/1053000946.db2.gz BZKQJFJDPMWEBA-LLVKDONJSA-N 1 2 349.456 4.208 20 5 EIBDLO C[N@@H+]1CCCc2cc(NCc3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000864007588 1053128738 /nfs/dbraw/zinc/12/87/38/1053128738.db2.gz LWUGCXHPTXDDJJ-UHFFFAOYSA-N 1 2 331.803 4.243 20 5 EIBDLO C[N@H+]1CCCc2cc(NCc3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000864007588 1053128776 /nfs/dbraw/zinc/12/87/76/1053128776.db2.gz LWUGCXHPTXDDJJ-UHFFFAOYSA-N 1 2 331.803 4.243 20 5 EIBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000552140144 1053568636 /nfs/dbraw/zinc/56/86/36/1053568636.db2.gz RLNBYSKICNPRCC-GOSISDBHSA-N 1 2 346.814 4.130 20 5 EIBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000552140144 1053568653 /nfs/dbraw/zinc/56/86/53/1053568653.db2.gz RLNBYSKICNPRCC-GOSISDBHSA-N 1 2 346.814 4.130 20 5 EIBDLO Cc1csc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000339085136 1053950776 /nfs/dbraw/zinc/95/07/76/1053950776.db2.gz VPXORSUEISMMJQ-VIFPVBQESA-N 1 2 345.346 4.229 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC001197988302 1054050773 /nfs/dbraw/zinc/05/07/73/1054050773.db2.gz HWWCZKDKAFWZPI-SFHVURJKSA-N 1 2 334.375 4.231 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC001197988301 1054051419 /nfs/dbraw/zinc/05/14/19/1054051419.db2.gz HWWCZKDKAFWZPI-GOSISDBHSA-N 1 2 334.375 4.231 20 5 EIBDLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775866311 1054176387 /nfs/dbraw/zinc/17/63/87/1054176387.db2.gz FNPZMCZXBFFWEL-CABZTGNLSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775866311 1054176393 /nfs/dbraw/zinc/17/63/93/1054176393.db2.gz FNPZMCZXBFFWEL-CABZTGNLSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872026424 1054344322 /nfs/dbraw/zinc/34/43/22/1054344322.db2.gz ANVMZUYRMYMCQM-WDEREUQCSA-N 1 2 333.319 4.054 20 5 EIBDLO C[C@@H]([NH2+][C@H]1CCCOc2cc(F)ccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872058336 1054369046 /nfs/dbraw/zinc/36/90/46/1054369046.db2.gz RTXUGOGBULQTFN-ABAIWWIYSA-N 1 2 348.349 4.438 20 5 EIBDLO OCC(F)(F)C[NH2+]Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001201920881 1054954036 /nfs/dbraw/zinc/95/40/36/1054954036.db2.gz XHFVJPNIKWZRNE-UHFFFAOYSA-N 1 2 335.781 4.364 20 5 EIBDLO Cc1ccc([C@H](C)Nc2ccc(N3CCCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000327001899 1055895650 /nfs/dbraw/zinc/89/56/50/1055895650.db2.gz KISKCFAEUYOJNB-HNNXBMFYSA-N 1 2 340.427 4.462 20 5 EIBDLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001169714798 1060917995 /nfs/dbraw/zinc/91/79/95/1060917995.db2.gz FBLRQFIHIWOMAB-GOSISDBHSA-N 1 2 332.350 4.113 20 5 EIBDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001169714798 1060918013 /nfs/dbraw/zinc/91/80/13/1060918013.db2.gz FBLRQFIHIWOMAB-GOSISDBHSA-N 1 2 332.350 4.113 20 5 EIBDLO Cc1cc(C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)ccc1[N+](=O)[O-] ZINC000078651472 217095430 /nfs/dbraw/zinc/09/54/30/217095430.db2.gz XASJZCWCEVSWKJ-UHFFFAOYSA-N 1 2 349.346 4.343 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177781426 1022093610 /nfs/dbraw/zinc/09/36/10/1022093610.db2.gz YJOIBSIKDILTIQ-GFCCVEGCSA-N 1 2 331.441 4.123 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177781426 1022093625 /nfs/dbraw/zinc/09/36/25/1022093625.db2.gz YJOIBSIKDILTIQ-GFCCVEGCSA-N 1 2 331.441 4.123 20 5 EIBDLO Cc1noc(C)c1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180233785 1022335777 /nfs/dbraw/zinc/33/57/77/1022335777.db2.gz GRHZUOMXRPCHBS-LJQANCHMSA-N 1 2 337.379 4.079 20 5 EIBDLO Cc1oc(-c2cccs2)nc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180452191 1022667759 /nfs/dbraw/zinc/66/77/59/1022667759.db2.gz OSBWZJFFRXXLSY-NSHDSACASA-N 1 2 343.408 4.471 20 5 EIBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(c3cccc(F)c3F)CC2)cs1 ZINC000584754829 1023282939 /nfs/dbraw/zinc/28/29/39/1023282939.db2.gz PRVDNDNXQIINAK-UHFFFAOYSA-N 1 2 338.379 4.314 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000549508157 1023814731 /nfs/dbraw/zinc/81/47/31/1023814731.db2.gz KMXUALMOKZTQGU-FQEVSTJZSA-N 1 2 348.402 4.374 20 5 EIBDLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000511829806 1023917329 /nfs/dbraw/zinc/91/73/29/1023917329.db2.gz MCRWZCZNWVNDQP-QMWVSLDXSA-N 1 2 338.407 4.070 20 5 EIBDLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000511829806 1023917338 /nfs/dbraw/zinc/91/73/38/1023917338.db2.gz MCRWZCZNWVNDQP-QMWVSLDXSA-N 1 2 338.407 4.070 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000549535291 1023966947 /nfs/dbraw/zinc/96/69/47/1023966947.db2.gz AHIXRUZQPUJIMS-LJQANCHMSA-N 1 2 344.386 4.461 20 5 EIBDLO CC[C@@H]([NH2+][C@H](C)c1nnc([C@@H](C)CC)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000276820457 1024348930 /nfs/dbraw/zinc/34/89/30/1024348930.db2.gz ANKSNYPEENNBCX-YWPYICTPSA-N 1 2 331.420 4.028 20 5 EIBDLO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000276820461 1024349064 /nfs/dbraw/zinc/34/90/64/1024349064.db2.gz ANKSNYPEENNBCX-ZOWXZIJZSA-N 1 2 331.420 4.028 20 5 EIBDLO Cc1cccnc1[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000934289994 1026161369 /nfs/dbraw/zinc/16/13/69/1026161369.db2.gz UALQOWDWQNOHRI-KRWDZBQOSA-N 1 2 349.381 4.453 20 5 EIBDLO COc1cc(C[N@H+](C)Cc2cc(Cl)ccc2F)ccc1[N+](=O)[O-] ZINC000444698100 1027981403 /nfs/dbraw/zinc/98/14/03/1027981403.db2.gz BXJZOEXGZMOIFL-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO COc1cc(C[N@@H+](C)Cc2cc(Cl)ccc2F)ccc1[N+](=O)[O-] ZINC000444698100 1027981420 /nfs/dbraw/zinc/98/14/20/1027981420.db2.gz BXJZOEXGZMOIFL-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000245528338 1028871521 /nfs/dbraw/zinc/87/15/21/1028871521.db2.gz QNGVJNVIRSSZNC-CZUORRHYSA-N 1 2 332.425 4.099 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000245528338 1028871522 /nfs/dbraw/zinc/87/15/22/1028871522.db2.gz QNGVJNVIRSSZNC-CZUORRHYSA-N 1 2 332.425 4.099 20 5 EIBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1c(Cl)ccc2cccnc21 ZINC000052589530 1029196501 /nfs/dbraw/zinc/19/65/01/1029196501.db2.gz BYLAIGNMBWYVES-UHFFFAOYSA-N 1 2 341.798 4.428 20 5 EIBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1c(Cl)ccc2cccnc21 ZINC000052589530 1029196512 /nfs/dbraw/zinc/19/65/12/1029196512.db2.gz BYLAIGNMBWYVES-UHFFFAOYSA-N 1 2 341.798 4.428 20 5 EIBDLO Cc1ccc(C[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000278617006 1029602569 /nfs/dbraw/zinc/60/25/69/1029602569.db2.gz DIMVYDXUJIVCKO-VIFPVBQESA-N 1 2 345.346 4.229 20 5 EIBDLO C[N@H+](Cc1cnc(-c2cccs2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000179316163 1030897507 /nfs/dbraw/zinc/89/75/07/1030897507.db2.gz PRZAHPOIVQLHRY-UHFFFAOYSA-N 1 2 345.449 4.412 20 5 EIBDLO C[N@@H+](Cc1cnc(-c2cccs2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000179316163 1030897517 /nfs/dbraw/zinc/89/75/17/1030897517.db2.gz PRZAHPOIVQLHRY-UHFFFAOYSA-N 1 2 345.449 4.412 20 5 EIBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]Cc2cnc(C3CC3)o2)o1 ZINC000449695777 1031934503 /nfs/dbraw/zinc/93/45/03/1031934503.db2.gz GHLHMZDUETWDLM-UHFFFAOYSA-N 1 2 339.351 4.010 20 5 EIBDLO C[N@H+](Cc1ccsc1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000120450894 1033452395 /nfs/dbraw/zinc/45/23/95/1033452395.db2.gz RZUCZCZBEAIZCJ-UHFFFAOYSA-N 1 2 345.449 4.412 20 5 EIBDLO C[N@@H+](Cc1ccsc1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000120450894 1033452404 /nfs/dbraw/zinc/45/24/04/1033452404.db2.gz RZUCZCZBEAIZCJ-UHFFFAOYSA-N 1 2 345.449 4.412 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1(c2ccccc2F)CC1 ZINC000595024180 1035510259 /nfs/dbraw/zinc/51/02/59/1035510259.db2.gz YBSAXUZQQYKGGI-GFCCVEGCSA-N 1 2 330.359 4.082 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1COc2c1cccc2Cl ZINC000595026840 1035558796 /nfs/dbraw/zinc/55/87/96/1035558796.db2.gz NDBXKQQFMOJECL-BONVTDFDSA-N 1 2 348.786 4.041 20 5 EIBDLO Cc1noc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1[N+](=O)[O-] ZINC000595421843 1035676700 /nfs/dbraw/zinc/67/67/00/1035676700.db2.gz WAKSJBOHBBIBAF-MRXNPFEDSA-N 1 2 333.363 4.051 20 5 EIBDLO CC[C@H]([NH2+][C@H](c1nnc[nH]1)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602561794 1036496487 /nfs/dbraw/zinc/49/64/87/1036496487.db2.gz FZAJBLHJJWUPGG-IRXDYDNUSA-N 1 2 343.431 4.075 20 5 EIBDLO Cc1oc(-c2ccsc2)nc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000539280473 1038928627 /nfs/dbraw/zinc/92/86/27/1038928627.db2.gz HQWLAHKHWATGAG-NSHDSACASA-N 1 2 343.408 4.471 20 5 EIBDLO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000481723817 1039785912 /nfs/dbraw/zinc/78/59/12/1039785912.db2.gz BHWCVIPBDBKKCH-JOYOIKCWSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000481723817 1039785924 /nfs/dbraw/zinc/78/59/24/1039785924.db2.gz BHWCVIPBDBKKCH-JOYOIKCWSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000481723815 1039786513 /nfs/dbraw/zinc/78/65/13/1039786513.db2.gz BHWCVIPBDBKKCH-BXKDBHETSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000481723815 1039786525 /nfs/dbraw/zinc/78/65/25/1039786525.db2.gz BHWCVIPBDBKKCH-BXKDBHETSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000505685374 1040348536 /nfs/dbraw/zinc/34/85/36/1040348536.db2.gz ZTRLQAHIZAMZDR-CQSZACIVSA-N 1 2 337.379 4.233 20 5 EIBDLO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000505685374 1040348556 /nfs/dbraw/zinc/34/85/56/1040348556.db2.gz ZTRLQAHIZAMZDR-CQSZACIVSA-N 1 2 337.379 4.233 20 5 EIBDLO C[C@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000538527702 1041405317 /nfs/dbraw/zinc/40/53/17/1041405317.db2.gz XJYOXQJBWNIVPM-AWEZNQCLSA-N 1 2 326.400 4.153 20 5 EIBDLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000152529307 1042890188 /nfs/dbraw/zinc/89/01/88/1042890188.db2.gz FRXDGIKLSGWCPJ-HNNXBMFYSA-N 1 2 349.431 4.262 20 5 EIBDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000152529307 1042890189 /nfs/dbraw/zinc/89/01/89/1042890189.db2.gz FRXDGIKLSGWCPJ-HNNXBMFYSA-N 1 2 349.431 4.262 20 5 EIBDLO COC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000080238792 1044124652 /nfs/dbraw/zinc/12/46/52/1044124652.db2.gz LEKZUIJPECZYBN-INIZCTEOSA-N 1 2 332.400 4.097 20 5 EIBDLO Cc1c([C@H](C)[NH2+]Cc2cc(-c3ccccc3)on2)cccc1[N+](=O)[O-] ZINC000154792739 1044835701 /nfs/dbraw/zinc/83/57/01/1044835701.db2.gz ZCASOPNMGFSNLK-AWEZNQCLSA-N 1 2 337.379 4.409 20 5 EIBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cc2ccccc2o1 ZINC000508991254 1044882172 /nfs/dbraw/zinc/88/21/72/1044882172.db2.gz MXNBKFPKSNJRBF-SNVBAGLBSA-N 1 2 332.306 4.470 20 5 EIBDLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792863599 1046079773 /nfs/dbraw/zinc/07/97/73/1046079773.db2.gz ZEJUVHKPRSVCQP-AWEZNQCLSA-N 1 2 347.396 4.074 20 5 EIBDLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792863599 1046079791 /nfs/dbraw/zinc/07/97/91/1046079791.db2.gz ZEJUVHKPRSVCQP-AWEZNQCLSA-N 1 2 347.396 4.074 20 5 EIBDLO CC(C)c1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)cc1[N+](=O)[O-] ZINC000815152600 1048352206 /nfs/dbraw/zinc/35/22/06/1048352206.db2.gz VTLWZNQAWCABOM-UHFFFAOYSA-N 1 2 338.329 4.425 20 5 EIBDLO C[C@H](c1ccc2ccccc2c1)[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000920305048 1048636800 /nfs/dbraw/zinc/63/68/00/1048636800.db2.gz GBMYPVWWMFEDLM-CQSZACIVSA-N 1 2 336.395 4.128 20 5 EIBDLO C[C@H](c1ccc2ccccc2c1)[N@@H+](Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000920305048 1048636804 /nfs/dbraw/zinc/63/68/04/1048636804.db2.gz GBMYPVWWMFEDLM-CQSZACIVSA-N 1 2 336.395 4.128 20 5 EIBDLO CC(C)[N@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064349971 1049053610 /nfs/dbraw/zinc/05/36/10/1049053610.db2.gz CXOCUIQCJNEWRA-UHFFFAOYSA-N 1 2 331.416 4.291 20 5 EIBDLO CC(C)[N@@H+](Cc1ncc(C(C)(C)C)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064349971 1049053623 /nfs/dbraw/zinc/05/36/23/1049053623.db2.gz CXOCUIQCJNEWRA-UHFFFAOYSA-N 1 2 331.416 4.291 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccnc(Cl)c2Cl)c1 ZINC000811484411 1049078920 /nfs/dbraw/zinc/07/89/20/1049078920.db2.gz WLCOSBONSIPOEU-UHFFFAOYSA-N 1 2 346.601 4.240 20 5 EIBDLO C[C@H]1SCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000609829453 1049348557 /nfs/dbraw/zinc/34/85/57/1049348557.db2.gz PCPRWNDDAMJZLU-WBMJQRKESA-N 1 2 334.466 4.335 20 5 EIBDLO C[C@H]1SCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000609829453 1049348574 /nfs/dbraw/zinc/34/85/74/1049348574.db2.gz PCPRWNDDAMJZLU-WBMJQRKESA-N 1 2 334.466 4.335 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncc(-c3cccs3)o2)cc1[N+](=O)[O-] ZINC000181837143 1050353239 /nfs/dbraw/zinc/35/32/39/1050353239.db2.gz ZRUCTKVSPJSBJS-LBPRGKRZSA-N 1 2 343.408 4.471 20 5 EIBDLO Cc1cc(F)c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c(F)c1 ZINC001178176299 1050395693 /nfs/dbraw/zinc/39/56/93/1050395693.db2.gz KDWLYNRCIYCXDI-UHFFFAOYSA-N 1 2 326.730 4.125 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC000850425032 1053200319 /nfs/dbraw/zinc/20/03/19/1053200319.db2.gz IWUGMDXFZCYSIB-GHMZBOCLSA-N 1 2 336.338 4.293 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2c(Cl)cncc2Cl)cc1[N+](=O)[O-] ZINC000865485413 1053522298 /nfs/dbraw/zinc/52/22/98/1053522298.db2.gz RBGAFOHAAKWHCF-SNVBAGLBSA-N 1 2 340.210 4.456 20 5 EIBDLO CC[C@H]([NH2+][C@@H]1c2ccccc2OC[C@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000866282964 1053677395 /nfs/dbraw/zinc/67/73/95/1053677395.db2.gz SYVNNLMTFUOSIW-SOLBZPMBSA-N 1 2 330.359 4.107 20 5 EIBDLO C[C@@H]([NH2+]Cc1ccccc1OC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872018300 1054331185 /nfs/dbraw/zinc/33/11/85/1054331185.db2.gz KDLFGTSLXMKFTD-SNVBAGLBSA-N 1 2 340.301 4.186 20 5 EIBDLO C[C@@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872026581 1054345338 /nfs/dbraw/zinc/34/53/38/1054345338.db2.gz BOOHBEIABDQYKZ-ABAIWWIYSA-N 1 2 348.349 4.438 20 5 EIBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000872032011 1054350964 /nfs/dbraw/zinc/35/09/64/1054350964.db2.gz OYSWBADLROATMA-MNOVXSKESA-N 1 2 337.470 4.493 20 5 EIBDLO C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872044645 1054360131 /nfs/dbraw/zinc/36/01/31/1054360131.db2.gz CVWBDALMYAEWCZ-IINYFYTJSA-N 1 2 334.322 4.047 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1c(F)cccc1[N+](=O)[O-] ZINC000872053374 1054363812 /nfs/dbraw/zinc/36/38/12/1054363812.db2.gz JGEFXKPPQLRGLT-WDEREUQCSA-N 1 2 333.319 4.054 20 5 EIBDLO C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872065088 1054373938 /nfs/dbraw/zinc/37/39/38/1054373938.db2.gz SPJVHIPFJUYECS-IINYFYTJSA-N 1 2 334.322 4.047 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872073319 1054379326 /nfs/dbraw/zinc/37/93/26/1054379326.db2.gz OTOLTPPNUHBZHJ-WDEREUQCSA-N 1 2 333.319 4.054 20 5 EIBDLO C[C@@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872086332 1054382521 /nfs/dbraw/zinc/38/25/21/1054382521.db2.gz UVTNQOYTYDXGOG-LLVKDONJSA-N 1 2 348.349 4.265 20 5 EIBDLO CC1=C(Br)C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000797526693 1055126537 /nfs/dbraw/zinc/12/65/37/1055126537.db2.gz AKKYVQDJBHEGFR-NSHDSACASA-N 1 2 325.206 4.030 20 5 EIBDLO CC1=C(Br)C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000797526693 1055126547 /nfs/dbraw/zinc/12/65/47/1055126547.db2.gz AKKYVQDJBHEGFR-NSHDSACASA-N 1 2 325.206 4.030 20 5 EIBDLO Cc1csc([C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)n1 ZINC000273288654 1055603432 /nfs/dbraw/zinc/60/34/32/1055603432.db2.gz MHJXKUWASLNIGD-CQSZACIVSA-N 1 2 337.832 4.254 20 5 EIBDLO CC(C)c1csc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000893151312 1022219380 /nfs/dbraw/zinc/21/93/80/1022219380.db2.gz AAPPRPJROBJCGP-UHFFFAOYSA-N 1 2 325.821 4.118 20 5 EIBDLO C[C@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180428233 1022652604 /nfs/dbraw/zinc/65/26/04/1022652604.db2.gz IRIXGFCWAGDRMV-LBPRGKRZSA-N 1 2 341.342 4.240 20 5 EIBDLO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119639884 1023678168 /nfs/dbraw/zinc/67/81/68/1023678168.db2.gz XIBNVZQNWFQPNF-GFCCVEGCSA-N 1 2 334.803 4.416 20 5 EIBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc(-c2cccs2)o1 ZINC000341601677 1023926714 /nfs/dbraw/zinc/92/67/14/1023926714.db2.gz WSUOIEVZSYZTKC-QWRGUYRKSA-N 1 2 344.396 4.118 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc(-c2cccs2)o1 ZINC000341601679 1023926747 /nfs/dbraw/zinc/92/67/47/1023926747.db2.gz WSUOIEVZSYZTKC-WDEREUQCSA-N 1 2 344.396 4.118 20 5 EIBDLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581254 1024116918 /nfs/dbraw/zinc/11/69/18/1024116918.db2.gz RSGAFVHKELJXQU-NSHDSACASA-N 1 2 329.331 4.068 20 5 EIBDLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581254 1024116947 /nfs/dbraw/zinc/11/69/47/1024116947.db2.gz RSGAFVHKELJXQU-NSHDSACASA-N 1 2 329.331 4.068 20 5 EIBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(O)c1Cl ZINC000507250919 1026717299 /nfs/dbraw/zinc/71/72/99/1026717299.db2.gz DIMNNGCHJPSTSM-UHFFFAOYSA-N 1 2 334.803 4.364 20 5 EIBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(O)c1Cl ZINC000507250919 1026717306 /nfs/dbraw/zinc/71/73/06/1026717306.db2.gz DIMNNGCHJPSTSM-UHFFFAOYSA-N 1 2 334.803 4.364 20 5 EIBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000453228641 1031748510 /nfs/dbraw/zinc/74/85/10/1031748510.db2.gz ANRQRKWTSZFGGM-IUCAKERBSA-N 1 2 345.346 4.482 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000015549126 1034409070 /nfs/dbraw/zinc/40/90/70/1034409070.db2.gz NWOPBOYKSASJQF-GFCCVEGCSA-N 1 2 327.409 4.398 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000015549126 1034409076 /nfs/dbraw/zinc/40/90/76/1034409076.db2.gz NWOPBOYKSASJQF-GFCCVEGCSA-N 1 2 327.409 4.398 20 5 EIBDLO Cc1noc(C[N@@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595539564 1035699955 /nfs/dbraw/zinc/69/99/55/1035699955.db2.gz NDVVYKXQEOZAMX-SFHVURJKSA-N 1 2 341.411 4.399 20 5 EIBDLO Cc1noc(C[N@H+]2CC3(CCCCC3)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595539564 1035699968 /nfs/dbraw/zinc/69/99/68/1035699968.db2.gz NDVVYKXQEOZAMX-SFHVURJKSA-N 1 2 341.411 4.399 20 5 EIBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c(F)c1 ZINC000420954038 1035888960 /nfs/dbraw/zinc/88/89/60/1035888960.db2.gz UDMHCKQZXYLUMT-VIFPVBQESA-N 1 2 338.276 4.037 20 5 EIBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c(F)c1 ZINC000420954038 1035888962 /nfs/dbraw/zinc/88/89/62/1035888962.db2.gz UDMHCKQZXYLUMT-VIFPVBQESA-N 1 2 338.276 4.037 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3cc(C4CC4)ccc3F)nc2c1 ZINC000602675653 1036553430 /nfs/dbraw/zinc/55/34/30/1036553430.db2.gz VJQUGYUNRGDJMC-UHFFFAOYSA-N 1 2 341.342 4.042 20 5 EIBDLO O=[N+]([O-])c1cc(C(F)F)ccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000589107234 1036666929 /nfs/dbraw/zinc/66/69/29/1036666929.db2.gz QKTWGRRWEGEEFW-UHFFFAOYSA-N 1 2 348.353 4.008 20 5 EIBDLO C[N@H+](Cc1ccc(Br)s1)Cc1ccccc1[N+](=O)[O-] ZINC000061800727 1037557011 /nfs/dbraw/zinc/55/70/11/1037557011.db2.gz JDEAWJGIDLGFRS-UHFFFAOYSA-N 1 2 341.230 4.051 20 5 EIBDLO C[N@@H+](Cc1ccc(Br)s1)Cc1ccccc1[N+](=O)[O-] ZINC000061800727 1037557030 /nfs/dbraw/zinc/55/70/30/1037557030.db2.gz JDEAWJGIDLGFRS-UHFFFAOYSA-N 1 2 341.230 4.051 20 5 EIBDLO CC(C)Oc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000555663881 1039512300 /nfs/dbraw/zinc/51/23/00/1039512300.db2.gz GMCAJHSEUWHNLP-UHFFFAOYSA-N 1 2 332.375 4.153 20 5 EIBDLO CC(C)Oc1cccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000555663881 1039512337 /nfs/dbraw/zinc/51/23/37/1039512337.db2.gz GMCAJHSEUWHNLP-UHFFFAOYSA-N 1 2 332.375 4.153 20 5 EIBDLO CCc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]2F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000550931320 1039837033 /nfs/dbraw/zinc/83/70/33/1039837033.db2.gz QERGIUDKLKFCMM-LZLYRXPVSA-N 1 2 332.375 4.320 20 5 EIBDLO Cc1ccc2[nH+]cc(/C=C\c3ccc4cccc([N+](=O)[O-])c4n3)n2c1 ZINC000434925807 1039926165 /nfs/dbraw/zinc/92/61/65/1039926165.db2.gz MUTPKXQQAYYQSA-HJWRWDBZSA-N 1 2 330.347 4.270 20 5 EIBDLO CCCC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000514617518 1040055019 /nfs/dbraw/zinc/05/50/19/1040055019.db2.gz LFBSORKXJJLKBF-SFHVURJKSA-N 1 2 344.411 4.330 20 5 EIBDLO C[C@H](c1ccco1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089889444 1040515175 /nfs/dbraw/zinc/51/51/75/1040515175.db2.gz ZJFZMRQHKWBMBU-GFCCVEGCSA-N 1 2 327.340 4.036 20 5 EIBDLO C[C@H](c1ccco1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089889444 1040515182 /nfs/dbraw/zinc/51/51/82/1040515182.db2.gz ZJFZMRQHKWBMBU-GFCCVEGCSA-N 1 2 327.340 4.036 20 5 EIBDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000553909800 1040624382 /nfs/dbraw/zinc/62/43/82/1040624382.db2.gz QQDQJEKONYABFM-SJCJKPOMSA-N 1 2 331.803 4.226 20 5 EIBDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000553909800 1040624388 /nfs/dbraw/zinc/62/43/88/1040624388.db2.gz QQDQJEKONYABFM-SJCJKPOMSA-N 1 2 331.803 4.226 20 5 EIBDLO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000553911026 1040625657 /nfs/dbraw/zinc/62/56/57/1040625657.db2.gz XXHQTPIQDUFOBP-LRDDRELGSA-N 1 2 331.803 4.226 20 5 EIBDLO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000553911026 1040625667 /nfs/dbraw/zinc/62/56/67/1040625667.db2.gz XXHQTPIQDUFOBP-LRDDRELGSA-N 1 2 331.803 4.226 20 5 EIBDLO Cc1ccc([C@@H](C)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000539735435 1040748887 /nfs/dbraw/zinc/74/88/87/1040748887.db2.gz PFLSCICECLLVMP-CYBMUJFWSA-N 1 2 340.358 4.401 20 5 EIBDLO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492176194 1042571753 /nfs/dbraw/zinc/57/17/53/1042571753.db2.gz QRUWETRZVUBDNU-OAHLLOKOSA-N 1 2 348.830 4.021 20 5 EIBDLO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492176194 1042571759 /nfs/dbraw/zinc/57/17/59/1042571759.db2.gz QRUWETRZVUBDNU-OAHLLOKOSA-N 1 2 348.830 4.021 20 5 EIBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761516164 1042874283 /nfs/dbraw/zinc/87/42/83/1042874283.db2.gz ZRDOJLLFZAYNNT-QGZVFWFLSA-N 1 2 333.819 4.314 20 5 EIBDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761516164 1042874287 /nfs/dbraw/zinc/87/42/87/1042874287.db2.gz ZRDOJLLFZAYNNT-QGZVFWFLSA-N 1 2 333.819 4.314 20 5 EIBDLO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2ncccc2Cl)CC1 ZINC000429214256 1043348948 /nfs/dbraw/zinc/34/89/48/1043348948.db2.gz GRYJZIWAOKTDNV-UHFFFAOYSA-N 1 2 349.793 4.162 20 5 EIBDLO Cc1cc(C)c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000190539484 1044823600 /nfs/dbraw/zinc/82/36/00/1044823600.db2.gz HGZJUWWSYLLEKK-UHFFFAOYSA-N 1 2 327.384 4.291 20 5 EIBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(Cl)s1 ZINC000508990368 1044885562 /nfs/dbraw/zinc/88/55/62/1044885562.db2.gz GKPMDFBFUXAYCO-SSDOTTSWSA-N 1 2 332.759 4.439 20 5 EIBDLO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000509022191 1044944793 /nfs/dbraw/zinc/94/47/93/1044944793.db2.gz OOTWQMSEQYZIOE-UHFFFAOYSA-N 1 2 338.741 4.305 20 5 EIBDLO C[C@]12CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]1C2(Cl)Cl ZINC000792903177 1046098557 /nfs/dbraw/zinc/09/85/57/1046098557.db2.gz JWNCMNZQWPVIKT-OLZOCXBDSA-N 1 2 349.645 4.264 20 5 EIBDLO C[C@]12CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]1C2(Cl)Cl ZINC000792903177 1046098569 /nfs/dbraw/zinc/09/85/69/1046098569.db2.gz JWNCMNZQWPVIKT-OLZOCXBDSA-N 1 2 349.645 4.264 20 5 EIBDLO C[C@]12CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]1C2(Cl)Cl ZINC000792912614 1046104378 /nfs/dbraw/zinc/10/43/78/1046104378.db2.gz SQOURWKQZUXDGR-OLZOCXBDSA-N 1 2 349.645 4.264 20 5 EIBDLO C[C@]12CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]1C2(Cl)Cl ZINC000792912614 1046104383 /nfs/dbraw/zinc/10/43/83/1046104383.db2.gz SQOURWKQZUXDGR-OLZOCXBDSA-N 1 2 349.645 4.264 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000792934549 1046112182 /nfs/dbraw/zinc/11/21/82/1046112182.db2.gz XTLHTEFTGQAIAM-UHFFFAOYSA-N 1 2 336.741 4.413 20 5 EIBDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000536661131 1046628286 /nfs/dbraw/zinc/62/82/86/1046628286.db2.gz JQSCYLJETKWLMI-AUUYWEPGSA-N 1 2 344.386 4.004 20 5 EIBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000536661131 1046628293 /nfs/dbraw/zinc/62/82/93/1046628293.db2.gz JQSCYLJETKWLMI-AUUYWEPGSA-N 1 2 344.386 4.004 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000746654428 1046924056 /nfs/dbraw/zinc/92/40/56/1046924056.db2.gz IGBCAAZJLHUDAL-UHFFFAOYSA-N 1 2 344.798 4.243 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000746654428 1046924073 /nfs/dbraw/zinc/92/40/73/1046924073.db2.gz IGBCAAZJLHUDAL-UHFFFAOYSA-N 1 2 344.798 4.243 20 5 EIBDLO C[C@@H]([NH2+][C@H]1COCc2cccc(Cl)c21)c1cccc([N+](=O)[O-])c1 ZINC000788640986 1047257347 /nfs/dbraw/zinc/25/73/47/1047257347.db2.gz HTBTUWSXAVFIFD-BZNIZROVSA-N 1 2 332.787 4.170 20 5 EIBDLO C[C@H]([NH2+][C@H]1COCc2cccc(Cl)c21)c1cccc([N+](=O)[O-])c1 ZINC000788640990 1047257996 /nfs/dbraw/zinc/25/79/96/1047257996.db2.gz HTBTUWSXAVFIFD-ZBEGNZNMSA-N 1 2 332.787 4.170 20 5 EIBDLO CC(C)[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000815312809 1048414901 /nfs/dbraw/zinc/41/49/01/1048414901.db2.gz JXWYUKBNAQLINN-AWEZNQCLSA-N 1 2 347.242 4.149 20 5 EIBDLO CC(C)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000815312809 1048414907 /nfs/dbraw/zinc/41/49/07/1048414907.db2.gz JXWYUKBNAQLINN-AWEZNQCLSA-N 1 2 347.242 4.149 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC(C(F)F)CC1 ZINC000809955455 1048582868 /nfs/dbraw/zinc/58/28/68/1048582868.db2.gz XLZMLZOZXDOVGZ-UHFFFAOYSA-N 1 2 339.169 4.379 20 5 EIBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000805748249 1049510846 /nfs/dbraw/zinc/51/08/46/1049510846.db2.gz BPLBCCWCTBBYMR-PXAZEXFGSA-N 1 2 331.803 4.226 20 5 EIBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000805748249 1049510862 /nfs/dbraw/zinc/51/08/62/1049510862.db2.gz BPLBCCWCTBBYMR-PXAZEXFGSA-N 1 2 331.803 4.226 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179981544 1049817277 /nfs/dbraw/zinc/81/72/77/1049817277.db2.gz JLKAYXOMADXQDM-UHFFFAOYSA-N 1 2 348.349 4.051 20 5 EIBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccnc(Cl)c1F ZINC000823404322 1049844489 /nfs/dbraw/zinc/84/44/89/1049844489.db2.gz PCAANKAIGJXTMH-UHFFFAOYSA-N 1 2 337.782 4.193 20 5 EIBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccnc(Cl)c1F ZINC000823404322 1049844492 /nfs/dbraw/zinc/84/44/92/1049844492.db2.gz PCAANKAIGJXTMH-UHFFFAOYSA-N 1 2 337.782 4.193 20 5 EIBDLO CC[C@H](Nc1nc2ccccc2n2c[nH+]cc12)c1cccc([N+](=O)[O-])c1 ZINC001185979142 1050207660 /nfs/dbraw/zinc/20/76/60/1050207660.db2.gz OPZCISDOYHUFRA-HNNXBMFYSA-N 1 2 347.378 4.354 20 5 EIBDLO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000182341335 1050613436 /nfs/dbraw/zinc/61/34/36/1050613436.db2.gz YEGWBMAFLNOXIA-CQSZACIVSA-N 1 2 325.821 4.120 20 5 EIBDLO CC[C@H]1c2ccccc2CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001191038224 1051329861 /nfs/dbraw/zinc/32/98/61/1051329861.db2.gz HEJQCNRKPGDVDF-SFHVURJKSA-N 1 2 332.350 4.382 20 5 EIBDLO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001191038224 1051329870 /nfs/dbraw/zinc/32/98/70/1051329870.db2.gz HEJQCNRKPGDVDF-SFHVURJKSA-N 1 2 332.350 4.382 20 5 EIBDLO Cc1ccc(C(C)(C)C[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC001191244260 1051409632 /nfs/dbraw/zinc/40/96/32/1051409632.db2.gz HRTIMRYWRPWJGN-UHFFFAOYSA-N 1 2 328.412 4.018 20 5 EIBDLO Cc1ccc(C(C)(C)C[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC001191244260 1051409634 /nfs/dbraw/zinc/40/96/34/1051409634.db2.gz HRTIMRYWRPWJGN-UHFFFAOYSA-N 1 2 328.412 4.018 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNc1cc2cc[nH]c2c[nH+]1 ZINC001182626377 1051651943 /nfs/dbraw/zinc/65/19/43/1051651943.db2.gz YNTMPMVNRAPVLE-UHFFFAOYSA-N 1 2 337.166 4.390 20 5 EIBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cn1 ZINC000775525019 1051706035 /nfs/dbraw/zinc/70/60/35/1051706035.db2.gz DCHKKPHJTIYNSJ-SECBINFHSA-N 1 2 326.183 4.147 20 5 EIBDLO CCOC1(C)CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000794623821 1053236257 /nfs/dbraw/zinc/23/62/57/1053236257.db2.gz IACAJIBTQCHSRZ-UHFFFAOYSA-N 1 2 347.242 4.293 20 5 EIBDLO CC(C)[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1F ZINC001195927461 1053530231 /nfs/dbraw/zinc/53/02/31/1053530231.db2.gz HEEMCFOZWFZICP-KRWDZBQOSA-N 1 2 338.329 4.499 20 5 EIBDLO CCCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1c(C)oc(C)c1C ZINC001198020287 1054056808 /nfs/dbraw/zinc/05/68/08/1054056808.db2.gz NZZSPEKYSWXJBM-UHFFFAOYSA-N 1 2 335.404 4.212 20 5 EIBDLO CCCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1c(C)oc(C)c1C ZINC001198020287 1054056819 /nfs/dbraw/zinc/05/68/19/1054056819.db2.gz NZZSPEKYSWXJBM-UHFFFAOYSA-N 1 2 335.404 4.212 20 5 EIBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000872032013 1054349786 /nfs/dbraw/zinc/34/97/86/1054349786.db2.gz OYSWBADLROATMA-WDEREUQCSA-N 1 2 337.470 4.493 20 5 EIBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000475708695 1032399314 /nfs/dbraw/zinc/39/93/14/1032399314.db2.gz YKFMWBXKFQMYPB-JTQLQIEISA-N 1 2 332.306 4.470 20 5 EIBDLO CC(C)[N@H+](Cc1nc(C(C)(C)C)co1)Cc1ccc([N+](=O)[O-])cc1 ZINC001167186259 1020502952 /nfs/dbraw/zinc/50/29/52/1020502952.db2.gz CKCRLNMZRDAOKQ-UHFFFAOYSA-N 1 2 331.416 4.291 20 5 EIBDLO CC(C)[N@@H+](Cc1nc(C(C)(C)C)co1)Cc1ccc([N+](=O)[O-])cc1 ZINC001167186259 1020502966 /nfs/dbraw/zinc/50/29/66/1020502966.db2.gz CKCRLNMZRDAOKQ-UHFFFAOYSA-N 1 2 331.416 4.291 20 5 EIBDLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1cccc([N+](=O)[O-])c1 ZINC000180416789 1022632370 /nfs/dbraw/zinc/63/23/70/1022632370.db2.gz RJGBJHGRNGNDTD-LBPRGKRZSA-N 1 2 341.342 4.240 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2cccs2)o1)c1cccc([N+](=O)[O-])c1 ZINC000341601675 1023927794 /nfs/dbraw/zinc/92/77/94/1023927794.db2.gz WSUOIEVZSYZTKC-MNOVXSKESA-N 1 2 344.396 4.118 20 5 EIBDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000060995506 1027038384 /nfs/dbraw/zinc/03/83/84/1027038384.db2.gz FEHWREMDQOQNLI-LBPRGKRZSA-N 1 2 327.409 4.398 20 5 EIBDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000060995506 1027038394 /nfs/dbraw/zinc/03/83/94/1027038394.db2.gz FEHWREMDQOQNLI-LBPRGKRZSA-N 1 2 327.409 4.398 20 5 EIBDLO Cc1c([C@@H](C)[NH2+]Cc2coc(-c3cccs3)n2)cccc1[N+](=O)[O-] ZINC000178659730 1027278265 /nfs/dbraw/zinc/27/82/65/1027278265.db2.gz IQLVQGYTBOTPBQ-GFCCVEGCSA-N 1 2 343.408 4.471 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000278587297 1029557389 /nfs/dbraw/zinc/55/73/89/1029557389.db2.gz GNMWCRXSRJQZHF-VIFPVBQESA-N 1 2 345.346 4.229 20 5 EIBDLO O=C(C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-])c1cccs1 ZINC000176909943 1030413402 /nfs/dbraw/zinc/41/34/02/1030413402.db2.gz CMMKSKNAKCXQJF-CQSZACIVSA-N 1 2 348.399 4.033 20 5 EIBDLO O=C(C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-])c1cccs1 ZINC000176909943 1030413416 /nfs/dbraw/zinc/41/34/16/1030413416.db2.gz CMMKSKNAKCXQJF-CQSZACIVSA-N 1 2 348.399 4.033 20 5 EIBDLO COc1ccc(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000052075418 1030964349 /nfs/dbraw/zinc/96/43/49/1030964349.db2.gz HZAUBOHIZLXASI-LLVKDONJSA-N 1 2 336.338 4.075 20 5 EIBDLO COc1ccc(C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000052075418 1030964366 /nfs/dbraw/zinc/96/43/66/1030964366.db2.gz HZAUBOHIZLXASI-LLVKDONJSA-N 1 2 336.338 4.075 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(F)c(Cl)cc2F)c(Cl)c1 ZINC000433186761 1034024952 /nfs/dbraw/zinc/02/49/52/1034024952.db2.gz LCSPTBUWOHJMBO-UHFFFAOYSA-N 1 2 347.148 4.470 20 5 EIBDLO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595027681 1035557453 /nfs/dbraw/zinc/55/74/53/1035557453.db2.gz TVTIIVDTOGQCTL-NWDGAFQWSA-N 1 2 348.374 4.163 20 5 EIBDLO Cc1noc(C[N@@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC000595374173 1035671076 /nfs/dbraw/zinc/67/10/76/1035671076.db2.gz ZCROKBSUPLDOQH-MRXNPFEDSA-N 1 2 340.383 4.100 20 5 EIBDLO Cc1noc(C[N@H+]2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC000595374173 1035671080 /nfs/dbraw/zinc/67/10/80/1035671080.db2.gz ZCROKBSUPLDOQH-MRXNPFEDSA-N 1 2 340.383 4.100 20 5 EIBDLO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000119630197 1038976778 /nfs/dbraw/zinc/97/67/78/1038976778.db2.gz BCPIEPWXTVGKSD-SECBINFHSA-N 1 2 326.730 4.377 20 5 EIBDLO CC[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000192751755 1040477065 /nfs/dbraw/zinc/47/70/65/1040477065.db2.gz AVOYHFXJHQVTJY-KRWDZBQOSA-N 1 2 326.400 4.153 20 5 EIBDLO Cc1ccc(C[N@@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000089892781 1040526307 /nfs/dbraw/zinc/52/63/07/1040526307.db2.gz ZXAQGLDGSVMGNM-UHFFFAOYSA-N 1 2 343.408 4.252 20 5 EIBDLO Cc1ccc(C[N@H+](C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000089892781 1040526326 /nfs/dbraw/zinc/52/63/26/1040526326.db2.gz ZXAQGLDGSVMGNM-UHFFFAOYSA-N 1 2 343.408 4.252 20 5 EIBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000483649785 1040931728 /nfs/dbraw/zinc/93/17/28/1040931728.db2.gz HVRPLOTWZCPIEC-CNELAYHGSA-N 1 2 344.415 4.029 20 5 EIBDLO CCc1ccc([C@H]2C[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000484358070 1041214451 /nfs/dbraw/zinc/21/44/51/1041214451.db2.gz YYDXCWWPAVNBHJ-MGPUTAFESA-N 1 2 340.423 4.292 20 5 EIBDLO CCc1ccc([C@H]2C[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000484358070 1041214467 /nfs/dbraw/zinc/21/44/67/1041214467.db2.gz YYDXCWWPAVNBHJ-MGPUTAFESA-N 1 2 340.423 4.292 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1ccc(N2CCCCC2)[nH+]c1 ZINC000540837183 1041696376 /nfs/dbraw/zinc/69/63/76/1041696376.db2.gz MCEWJGZRDAZQFX-OAHLLOKOSA-N 1 2 340.427 4.462 20 5 EIBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH+](Cc1ccco1)Cc1ccco1 ZINC000506114100 1041889910 /nfs/dbraw/zinc/88/99/10/1041889910.db2.gz WVZBQMWBGVAFFJ-XVNBXDOJSA-N 1 2 338.363 4.496 20 5 EIBDLO CC(C)COC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000541629505 1042045093 /nfs/dbraw/zinc/04/50/93/1042045093.db2.gz ZAMSFGYFFLJYLX-HOCLYGCPSA-N 1 2 332.400 4.252 20 5 EIBDLO CC(C)([NH2+]Cc1csc(-c2ccco2)n1)c1ccccc1[N+](=O)[O-] ZINC000492039345 1042541860 /nfs/dbraw/zinc/54/18/60/1042541860.db2.gz CBNRVCYAXKXNMU-UHFFFAOYSA-N 1 2 343.408 4.336 20 5 EIBDLO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492243584 1042587974 /nfs/dbraw/zinc/58/79/74/1042587974.db2.gz WULFAJAYJNBEET-AWEZNQCLSA-N 1 2 348.830 4.021 20 5 EIBDLO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492243584 1042587978 /nfs/dbraw/zinc/58/79/78/1042587978.db2.gz WULFAJAYJNBEET-AWEZNQCLSA-N 1 2 348.830 4.021 20 5 EIBDLO Cc1ccc(C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C2CC2)o1 ZINC000609193169 1043443016 /nfs/dbraw/zinc/44/30/16/1043443016.db2.gz QCLMBZXLTGNOOT-UHFFFAOYSA-N 1 2 344.411 4.448 20 5 EIBDLO Cc1ccc(C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C2CC2)o1 ZINC000609193169 1043443019 /nfs/dbraw/zinc/44/30/19/1043443019.db2.gz QCLMBZXLTGNOOT-UHFFFAOYSA-N 1 2 344.411 4.448 20 5 EIBDLO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000732986376 1044059255 /nfs/dbraw/zinc/05/92/55/1044059255.db2.gz LCRZANCZHFKJPN-MRXNPFEDSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000732986376 1044059267 /nfs/dbraw/zinc/05/92/67/1044059267.db2.gz LCRZANCZHFKJPN-MRXNPFEDSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732987073 1044063817 /nfs/dbraw/zinc/06/38/17/1044063817.db2.gz REJAVJHCSKDROU-KRWDZBQOSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000732987073 1044063828 /nfs/dbraw/zinc/06/38/28/1044063828.db2.gz REJAVJHCSKDROU-KRWDZBQOSA-N 1 2 348.349 4.219 20 5 EIBDLO Cc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1cc(O)ccc1[N+](=O)[O-] ZINC001168724037 1044589883 /nfs/dbraw/zinc/58/98/83/1044589883.db2.gz QVOCFBYWDJNKBS-GOSISDBHSA-N 1 2 328.412 4.486 20 5 EIBDLO C[C@@H]1SCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000735673456 1044856811 /nfs/dbraw/zinc/85/68/11/1044856811.db2.gz BRWLEFBUEZXQMP-SCLBCKFNSA-N 1 2 346.427 4.413 20 5 EIBDLO C[C@@H]1SCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000735673456 1044856812 /nfs/dbraw/zinc/85/68/12/1044856812.db2.gz BRWLEFBUEZXQMP-SCLBCKFNSA-N 1 2 346.427 4.413 20 5 EIBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1=Cc2ccccc2OC1 ZINC000768214530 1045753758 /nfs/dbraw/zinc/75/37/58/1045753758.db2.gz DKDVZSAWFGBMOD-UHFFFAOYSA-N 1 2 344.798 4.156 20 5 EIBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1=Cc2ccccc2OC1 ZINC000768214530 1045753749 /nfs/dbraw/zinc/75/37/49/1045753749.db2.gz DKDVZSAWFGBMOD-UHFFFAOYSA-N 1 2 344.798 4.156 20 5 EIBDLO COCc1cccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000179234039 1045971313 /nfs/dbraw/zinc/97/13/13/1045971313.db2.gz FTSONEGPGGPTFO-UHFFFAOYSA-N 1 2 334.803 4.027 20 5 EIBDLO COCc1cccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000179234039 1045971323 /nfs/dbraw/zinc/97/13/23/1045971323.db2.gz FTSONEGPGGPTFO-UHFFFAOYSA-N 1 2 334.803 4.027 20 5 EIBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1csc2ccccc21 ZINC000763429510 1047529514 /nfs/dbraw/zinc/52/95/14/1047529514.db2.gz FNIWTVRHBWYGHJ-NSHDSACASA-N 1 2 328.393 4.366 20 5 EIBDLO Cc1occc1C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809935481 1048567202 /nfs/dbraw/zinc/56/72/02/1048567202.db2.gz USXBVEMCEMVEQR-UHFFFAOYSA-N 1 2 329.183 4.435 20 5 EIBDLO Cc1occc1C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809935481 1048567222 /nfs/dbraw/zinc/56/72/22/1048567222.db2.gz USXBVEMCEMVEQR-UHFFFAOYSA-N 1 2 329.183 4.435 20 5 EIBDLO CC[N@H+](Cc1ccncc1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809968784 1048575442 /nfs/dbraw/zinc/57/54/42/1048575442.db2.gz HHLKWSHTGYZEJH-UHFFFAOYSA-N 1 2 340.210 4.319 20 5 EIBDLO CC[N@@H+](Cc1ccncc1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809968784 1048575450 /nfs/dbraw/zinc/57/54/50/1048575450.db2.gz HHLKWSHTGYZEJH-UHFFFAOYSA-N 1 2 340.210 4.319 20 5 EIBDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccccn1 ZINC000809975133 1048587814 /nfs/dbraw/zinc/58/78/14/1048587814.db2.gz YICOBWDDYPPGRK-VIFPVBQESA-N 1 2 326.183 4.147 20 5 EIBDLO C[C@H]1CCSCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809986668 1048589179 /nfs/dbraw/zinc/58/91/79/1048589179.db2.gz JNCWEFPCDYGQMA-VIFPVBQESA-N 1 2 335.256 4.229 20 5 EIBDLO C[C@H]1CCSCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809986668 1048589192 /nfs/dbraw/zinc/58/91/92/1048589192.db2.gz JNCWEFPCDYGQMA-VIFPVBQESA-N 1 2 335.256 4.229 20 5 EIBDLO O=[N+]([O-])c1cnc(Nc2ccc(NC3CCCC3)[nH+]c2)c(Cl)c1 ZINC000609892756 1049385704 /nfs/dbraw/zinc/38/57/04/1049385704.db2.gz XJLPEKMPNKAFDM-UHFFFAOYSA-N 1 2 333.779 4.136 20 5 EIBDLO C[C@H](C(=O)N(C)Cc1c2ccccc2cc2ccccc21)n1cc[nH+]c1 ZINC001177921550 1050330517 /nfs/dbraw/zinc/33/05/17/1050330517.db2.gz CKPHAQOMIRIQTP-MRXNPFEDSA-N 1 2 343.430 4.409 20 5 EIBDLO CCO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000181837222 1050354378 /nfs/dbraw/zinc/35/43/78/1050354378.db2.gz FJEPUHFNEJTQNJ-STQMWFEESA-N 1 2 349.456 4.308 20 5 EIBDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000182237394 1050555742 /nfs/dbraw/zinc/55/57/42/1050555742.db2.gz PMUKZODHKJHZBJ-KRWDZBQOSA-N 1 2 331.803 4.289 20 5 EIBDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000182237394 1050555756 /nfs/dbraw/zinc/55/57/56/1050555756.db2.gz PMUKZODHKJHZBJ-KRWDZBQOSA-N 1 2 331.803 4.289 20 5 EIBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1Br ZINC001180281160 1050953174 /nfs/dbraw/zinc/95/31/74/1050953174.db2.gz XDFXLEXBTQSFBY-SKDRFNHKSA-N 1 2 345.262 4.183 20 5 EIBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1Br ZINC001180281160 1050953188 /nfs/dbraw/zinc/95/31/88/1050953188.db2.gz XDFXLEXBTQSFBY-SKDRFNHKSA-N 1 2 345.262 4.183 20 5 EIBDLO Cc1cc(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1[NH+](C)C ZINC000774331999 1051560320 /nfs/dbraw/zinc/56/03/20/1051560320.db2.gz ZVYKCFLQRMRTEC-SFHVURJKSA-N 1 2 325.412 4.459 20 5 EIBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCC(C)(C)O1 ZINC001192079705 1051622159 /nfs/dbraw/zinc/62/21/59/1051622159.db2.gz CYVAQGJFDKOQKR-CQSZACIVSA-N 1 2 326.824 4.028 20 5 EIBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCC(C)(C)O1 ZINC001192079705 1051622165 /nfs/dbraw/zinc/62/21/65/1051622165.db2.gz CYVAQGJFDKOQKR-CQSZACIVSA-N 1 2 326.824 4.028 20 5 EIBDLO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cc(Cl)ccc1F ZINC001192575032 1051766618 /nfs/dbraw/zinc/76/66/18/1051766618.db2.gz NHMQPKDWJKEVES-SECBINFHSA-N 1 2 326.730 4.377 20 5 EIBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1F ZINC001192801889 1051812413 /nfs/dbraw/zinc/81/24/13/1051812413.db2.gz JWSVLNKZVNSLOJ-SECBINFHSA-N 1 2 326.730 4.377 20 5 EIBDLO CCOc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC001184729926 1052094296 /nfs/dbraw/zinc/09/42/96/1052094296.db2.gz QJWOLZSDZLYOHX-UHFFFAOYSA-N 1 2 342.399 4.122 20 5 EIBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC001194348408 1052128698 /nfs/dbraw/zinc/12/86/98/1052128698.db2.gz KAZWVHGMOUVJJJ-INIZCTEOSA-N 1 2 331.803 4.370 20 5 EIBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC001194348408 1052128705 /nfs/dbraw/zinc/12/87/05/1052128705.db2.gz KAZWVHGMOUVJJJ-INIZCTEOSA-N 1 2 331.803 4.370 20 5 EIBDLO CC[N@H+](Cc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774831924 1052181098 /nfs/dbraw/zinc/18/10/98/1052181098.db2.gz FOEIRIMRBFZALE-UHFFFAOYSA-N 1 2 349.774 4.179 20 5 EIBDLO CC[N@@H+](Cc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774831924 1052181107 /nfs/dbraw/zinc/18/11/07/1052181107.db2.gz FOEIRIMRBFZALE-UHFFFAOYSA-N 1 2 349.774 4.179 20 5 EIBDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC001195650900 1053455156 /nfs/dbraw/zinc/45/51/56/1053455156.db2.gz RVKGGEBTTMNSFT-CYBMUJFWSA-N 1 2 338.835 4.172 20 5 EIBDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC2(CCCCC2)O1 ZINC001195650900 1053455164 /nfs/dbraw/zinc/45/51/64/1053455164.db2.gz RVKGGEBTTMNSFT-CYBMUJFWSA-N 1 2 338.835 4.172 20 5 EIBDLO COc1ccc(F)cc1[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872025994 1054340063 /nfs/dbraw/zinc/34/00/63/1054340063.db2.gz XNMBSQYGKAJVQB-WDEREUQCSA-N 1 2 336.338 4.293 20 5 EIBDLO C[C@H]([NH2+][C@H]1CCCOc2ccc(F)cc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872026583 1054343009 /nfs/dbraw/zinc/34/30/09/1054343009.db2.gz BOOHBEIABDQYKZ-NHYWBVRUSA-N 1 2 348.349 4.438 20 5 EIBDLO C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872044643 1054358572 /nfs/dbraw/zinc/35/85/72/1054358572.db2.gz CVWBDALMYAEWCZ-HZMBPMFUSA-N 1 2 334.322 4.047 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177781409 1022093378 /nfs/dbraw/zinc/09/33/78/1022093378.db2.gz YJOIBSIKDILTIQ-LBPRGKRZSA-N 1 2 331.441 4.123 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000177781409 1022093392 /nfs/dbraw/zinc/09/33/92/1022093392.db2.gz YJOIBSIKDILTIQ-LBPRGKRZSA-N 1 2 331.441 4.123 20 5 EIBDLO C[C@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000090229000 1033095887 /nfs/dbraw/zinc/09/58/87/1033095887.db2.gz BVGYVAZXYZECRE-QMMMGPOBSA-N 1 2 328.265 4.002 20 5 EIBDLO Cc1nc([C@@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cs1 ZINC000189925694 1023176836 /nfs/dbraw/zinc/17/68/36/1023176836.db2.gz HDJDOXBFYAUROT-PFWMLDTASA-N 1 2 329.425 4.210 20 5 EIBDLO Cc1nc([C@@H]2CCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cs1 ZINC000189925694 1023176857 /nfs/dbraw/zinc/17/68/57/1023176857.db2.gz HDJDOXBFYAUROT-PFWMLDTASA-N 1 2 329.425 4.210 20 5 EIBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nnc(-c2cccs2)o1 ZINC000341601635 1023925105 /nfs/dbraw/zinc/92/51/05/1023925105.db2.gz WSUOIEVZSYZTKC-GHMZBOCLSA-N 1 2 344.396 4.118 20 5 EIBDLO Cc1c([C@H](C)[NH2+]Cc2c(F)cc(F)c(F)c2F)cccc1[N+](=O)[O-] ZINC000430749017 1024006794 /nfs/dbraw/zinc/00/67/94/1024006794.db2.gz HLHUAIMLUTZFHU-VIFPVBQESA-N 1 2 342.292 4.310 20 5 EIBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCCc3occc3C2)c1 ZINC000339206576 1026724028 /nfs/dbraw/zinc/72/40/28/1026724028.db2.gz WCQMNFAHXBRCCL-UHFFFAOYSA-N 1 2 340.301 4.155 20 5 EIBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCCc3occc3C2)c1 ZINC000339206576 1026724030 /nfs/dbraw/zinc/72/40/30/1026724030.db2.gz WCQMNFAHXBRCCL-UHFFFAOYSA-N 1 2 340.301 4.155 20 5 EIBDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000178684297 1027500092 /nfs/dbraw/zinc/50/00/92/1027500092.db2.gz QKCMHJGYKYDZRY-QGZVFWFLSA-N 1 2 331.803 4.289 20 5 EIBDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000178684297 1027500102 /nfs/dbraw/zinc/50/01/02/1027500102.db2.gz QKCMHJGYKYDZRY-QGZVFWFLSA-N 1 2 331.803 4.289 20 5 EIBDLO CCCc1nc(C)c(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000428404852 1028544351 /nfs/dbraw/zinc/54/43/51/1028544351.db2.gz SOJJFGIRSAJAFQ-UHFFFAOYSA-N 1 2 329.400 4.008 20 5 EIBDLO CCCc1nc(C)c(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000428404852 1028544363 /nfs/dbraw/zinc/54/43/63/1028544363.db2.gz SOJJFGIRSAJAFQ-UHFFFAOYSA-N 1 2 329.400 4.008 20 5 EIBDLO Cc1c([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cccc1[N+](=O)[O-] ZINC000186048215 1029259170 /nfs/dbraw/zinc/25/91/70/1029259170.db2.gz AZEIFOVKTIIEQO-HNNXBMFYSA-N 1 2 348.406 4.211 20 5 EIBDLO Cc1ccccc1[C@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000126215828 1033934848 /nfs/dbraw/zinc/93/48/48/1033934848.db2.gz JADHLEBTZIACDL-HNAYVOBHSA-N 1 2 326.396 4.038 20 5 EIBDLO Cc1ccccc1[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000126215828 1033934859 /nfs/dbraw/zinc/93/48/59/1033934859.db2.gz JADHLEBTZIACDL-HNAYVOBHSA-N 1 2 326.396 4.038 20 5 EIBDLO Cc1noc(C[NH2+]C(C)(C)c2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000595366006 1035669373 /nfs/dbraw/zinc/66/93/73/1035669373.db2.gz QSZFEWCOEYFCNS-UHFFFAOYSA-N 1 2 344.198 4.223 20 5 EIBDLO Cc1noc(C[N@@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595359471 1035670950 /nfs/dbraw/zinc/67/09/50/1035670950.db2.gz NNNSDICGJSARFL-NSHDSACASA-N 1 2 335.791 4.270 20 5 EIBDLO Cc1noc(C[N@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000595359471 1035670958 /nfs/dbraw/zinc/67/09/58/1035670958.db2.gz NNNSDICGJSARFL-NSHDSACASA-N 1 2 335.791 4.270 20 5 EIBDLO Cc1noc(C[NH2+][C@@H](c2ccc(Cl)cc2F)C(C)C)c1[N+](=O)[O-] ZINC000595426933 1035675846 /nfs/dbraw/zinc/67/58/46/1035675846.db2.gz UDVILTQOEFTOOO-CQSZACIVSA-N 1 2 341.770 4.171 20 5 EIBDLO Cc1cc([N@H+]2CCCC[C@H]2C)ccc1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596161753 1035832228 /nfs/dbraw/zinc/83/22/28/1035832228.db2.gz JGWIHFJTNYDXHV-CYBMUJFWSA-N 1 2 342.399 4.126 20 5 EIBDLO Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596161753 1035832231 /nfs/dbraw/zinc/83/22/31/1035832231.db2.gz JGWIHFJTNYDXHV-CYBMUJFWSA-N 1 2 342.399 4.126 20 5 EIBDLO CCOc1ccc([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000586768725 1035840953 /nfs/dbraw/zinc/84/09/53/1035840953.db2.gz HGIVRVUOJLAHEA-LLVKDONJSA-N 1 2 336.338 4.123 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000485793460 1036265620 /nfs/dbraw/zinc/26/56/20/1036265620.db2.gz OYMSYEYHJUSOBA-LIRRHRJNSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000485793460 1036265640 /nfs/dbraw/zinc/26/56/40/1036265640.db2.gz OYMSYEYHJUSOBA-LIRRHRJNSA-N 1 2 344.386 4.177 20 5 EIBDLO CC(=O)c1ccc(Nc2ccc([NH+]3CCCC3)cc2C)c([N+](=O)[O-])c1 ZINC000603474354 1036850230 /nfs/dbraw/zinc/85/02/30/1036850230.db2.gz OZQLEYPFTDASQK-UHFFFAOYSA-N 1 2 339.395 4.450 20 5 EIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000489276932 1037923404 /nfs/dbraw/zinc/92/34/04/1037923404.db2.gz KXUZELAWSCNIEN-ACJLOTCBSA-N 1 2 346.814 4.383 20 5 EIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000489276932 1037923420 /nfs/dbraw/zinc/92/34/20/1037923420.db2.gz KXUZELAWSCNIEN-ACJLOTCBSA-N 1 2 346.814 4.383 20 5 EIBDLO CC(C)COc1ccccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000555322358 1039072770 /nfs/dbraw/zinc/07/27/70/1039072770.db2.gz NVSDUCHRKKVAQK-UHFFFAOYSA-N 1 2 328.412 4.262 20 5 EIBDLO CC(C)COc1ccccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000555322358 1039072790 /nfs/dbraw/zinc/07/27/90/1039072790.db2.gz NVSDUCHRKKVAQK-UHFFFAOYSA-N 1 2 328.412 4.262 20 5 EIBDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000159728390 1040193269 /nfs/dbraw/zinc/19/32/69/1040193269.db2.gz PIVKCMFHFQLMNB-INIZCTEOSA-N 1 2 331.803 4.289 20 5 EIBDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000159728390 1040193276 /nfs/dbraw/zinc/19/32/76/1040193276.db2.gz PIVKCMFHFQLMNB-INIZCTEOSA-N 1 2 331.803 4.289 20 5 EIBDLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000505664617 1040276733 /nfs/dbraw/zinc/27/67/33/1040276733.db2.gz SINWDFYMRWIVFW-AWEZNQCLSA-N 1 2 337.379 4.233 20 5 EIBDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000505664617 1040276748 /nfs/dbraw/zinc/27/67/48/1040276748.db2.gz SINWDFYMRWIVFW-AWEZNQCLSA-N 1 2 337.379 4.233 20 5 EIBDLO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425395020 1040488117 /nfs/dbraw/zinc/48/81/17/1040488117.db2.gz GZWPQGZOQBMMPT-JTQLQIEISA-N 1 2 339.189 4.143 20 5 EIBDLO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425395020 1040488123 /nfs/dbraw/zinc/48/81/23/1040488123.db2.gz GZWPQGZOQBMMPT-JTQLQIEISA-N 1 2 339.189 4.143 20 5 EIBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000553909799 1040622956 /nfs/dbraw/zinc/62/29/56/1040622956.db2.gz QQDQJEKONYABFM-PXAZEXFGSA-N 1 2 331.803 4.226 20 5 EIBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000553909799 1040622964 /nfs/dbraw/zinc/62/29/64/1040622964.db2.gz QQDQJEKONYABFM-PXAZEXFGSA-N 1 2 331.803 4.226 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000539660186 1040663365 /nfs/dbraw/zinc/66/33/65/1040663365.db2.gz JSLGWBIMWDLCBW-AWEZNQCLSA-N 1 2 326.400 4.072 20 5 EIBDLO Cc1cccc2[nH+]cc(/C=C/c3ccc4cccc([N+](=O)[O-])c4n3)n21 ZINC000484438464 1041237670 /nfs/dbraw/zinc/23/76/70/1041237670.db2.gz CZJVFDBGGFADSY-ZHACJKMWSA-N 1 2 330.347 4.270 20 5 EIBDLO Cc1cccc2[nH+]cc(/C=C\c3ccc4c(cccc4[N+](=O)[O-])n3)n21 ZINC000484455968 1041252064 /nfs/dbraw/zinc/25/20/64/1041252064.db2.gz KZQDDLOJOHGDFZ-NTMALXAHSA-N 1 2 330.347 4.270 20 5 EIBDLO Cc1cccc2[nH+]cc(/C=C/c3ccc4c(cccc4[N+](=O)[O-])n3)n21 ZINC000484455967 1041252388 /nfs/dbraw/zinc/25/23/88/1041252388.db2.gz KZQDDLOJOHGDFZ-CSKARUKUSA-N 1 2 330.347 4.270 20 5 EIBDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cccc1F ZINC000540327543 1041384486 /nfs/dbraw/zinc/38/44/86/1041384486.db2.gz IIYVQUFQASLTLO-VIFPVBQESA-N 1 2 326.730 4.377 20 5 EIBDLO COc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])cc1F ZINC000464677136 1042114637 /nfs/dbraw/zinc/11/46/37/1042114637.db2.gz LRGQWZFYFNYOSX-BLLLJJGKSA-N 1 2 348.374 4.309 20 5 EIBDLO COc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])cc1F ZINC000464677136 1042114648 /nfs/dbraw/zinc/11/46/48/1042114648.db2.gz LRGQWZFYFNYOSX-BLLLJJGKSA-N 1 2 348.374 4.309 20 5 EIBDLO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])cc1F ZINC000464677139 1042115118 /nfs/dbraw/zinc/11/51/18/1042115118.db2.gz LRGQWZFYFNYOSX-WBMJQRKESA-N 1 2 348.374 4.309 20 5 EIBDLO COc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])cc1F ZINC000464677139 1042115134 /nfs/dbraw/zinc/11/51/34/1042115134.db2.gz LRGQWZFYFNYOSX-WBMJQRKESA-N 1 2 348.374 4.309 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2c(F)c(F)cc(F)c2F)cc1[N+](=O)[O-] ZINC000090228421 1042223359 /nfs/dbraw/zinc/22/33/59/1042223359.db2.gz DPHGOJKZAURZAT-VIFPVBQESA-N 1 2 342.292 4.310 20 5 EIBDLO CC(C)([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nccs1 ZINC000116380892 1044191981 /nfs/dbraw/zinc/19/19/81/1044191981.db2.gz ULACTWGMBPRSNV-UHFFFAOYSA-N 1 2 343.408 4.336 20 5 EIBDLO Cc1cc(C[N@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)no1 ZINC000092254146 1044738091 /nfs/dbraw/zinc/73/80/91/1044738091.db2.gz IMWPIIOGVMBZBZ-UHFFFAOYSA-N 1 2 343.408 4.252 20 5 EIBDLO Cc1cc(C[N@@H+](C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)no1 ZINC000092254146 1044738104 /nfs/dbraw/zinc/73/81/04/1044738104.db2.gz IMWPIIOGVMBZBZ-UHFFFAOYSA-N 1 2 343.408 4.252 20 5 EIBDLO COc1cccc([C@@H](C)[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000735490816 1044832410 /nfs/dbraw/zinc/83/24/10/1044832410.db2.gz RMXNOYINUPLWFN-GFCCVEGCSA-N 1 2 334.803 4.450 20 5 EIBDLO COc1cccc([C@@H](C)[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000735490816 1044832412 /nfs/dbraw/zinc/83/24/12/1044832412.db2.gz RMXNOYINUPLWFN-GFCCVEGCSA-N 1 2 334.803 4.450 20 5 EIBDLO CC(C)([NH2+]Cc1cc(-c2cccs2)on1)c1ccccc1[N+](=O)[O-] ZINC000429261014 1044861148 /nfs/dbraw/zinc/86/11/48/1044861148.db2.gz ZFPIVVBXFPYKHS-UHFFFAOYSA-N 1 2 343.408 4.336 20 5 EIBDLO CC[C@H]([NH2+]Cc1c(F)c(F)cc(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000611336326 1045281343 /nfs/dbraw/zinc/28/13/43/1045281343.db2.gz HJWCSILBVWBHLI-AWEZNQCLSA-N 1 2 342.292 4.392 20 5 EIBDLO COc1ccc(C[C@@H](C)[N@@H+]2Cc3cccc(Cl)c3C2)c([N+](=O)[O-])c1 ZINC001170352879 1046009600 /nfs/dbraw/zinc/00/96/00/1046009600.db2.gz SQXCIOWGENAHNW-GFCCVEGCSA-N 1 2 346.814 4.204 20 5 EIBDLO COc1ccc(C[C@@H](C)[N@H+]2Cc3cccc(Cl)c3C2)c([N+](=O)[O-])c1 ZINC001170352879 1046009615 /nfs/dbraw/zinc/00/96/15/1046009615.db2.gz SQXCIOWGENAHNW-GFCCVEGCSA-N 1 2 346.814 4.204 20 5 EIBDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000916987982 1046524653 /nfs/dbraw/zinc/52/46/53/1046524653.db2.gz SVYSEKWYTXDKAA-UHFFFAOYSA-N 1 2 342.292 4.385 20 5 EIBDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000916987982 1046524667 /nfs/dbraw/zinc/52/46/67/1046524667.db2.gz SVYSEKWYTXDKAA-UHFFFAOYSA-N 1 2 342.292 4.385 20 5 EIBDLO CC[N@@H+](Cc1ccccc1Cl)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917438881 1046879229 /nfs/dbraw/zinc/87/92/29/1046879229.db2.gz CZMFRCZLXILCMB-UHFFFAOYSA-N 1 2 344.802 4.078 20 5 EIBDLO CC[N@H+](Cc1ccccc1Cl)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917438881 1046879235 /nfs/dbraw/zinc/87/92/35/1046879235.db2.gz CZMFRCZLXILCMB-UHFFFAOYSA-N 1 2 344.802 4.078 20 5 EIBDLO COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609280641 1047492933 /nfs/dbraw/zinc/49/29/33/1047492933.db2.gz IMOJDVKOAMUHOZ-KRWDZBQOSA-N 1 2 344.386 4.470 20 5 EIBDLO COc1ccccc1[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609280641 1047492939 /nfs/dbraw/zinc/49/29/39/1047492939.db2.gz IMOJDVKOAMUHOZ-KRWDZBQOSA-N 1 2 344.386 4.470 20 5 EIBDLO COCc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000179788130 1049759860 /nfs/dbraw/zinc/75/98/60/1049759860.db2.gz GVYDWRIYHNIBPG-UHFFFAOYSA-N 1 2 334.803 4.027 20 5 EIBDLO COCc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000179788130 1049759868 /nfs/dbraw/zinc/75/98/68/1049759868.db2.gz GVYDWRIYHNIBPG-UHFFFAOYSA-N 1 2 334.803 4.027 20 5 EIBDLO C[C@H]([NH2+]Cc1ncc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000180244168 1049867858 /nfs/dbraw/zinc/86/78/58/1049867858.db2.gz XHONSDTWORUHIJ-VIFPVBQESA-N 1 2 326.183 4.147 20 5 EIBDLO CCOc1cc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000617206847 1049966725 /nfs/dbraw/zinc/96/67/25/1049966725.db2.gz CGKFNBDWCIWAAX-MRXNPFEDSA-N 1 2 330.359 4.080 20 5 EIBDLO CCOc1cc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000617206847 1049966729 /nfs/dbraw/zinc/96/67/29/1049966729.db2.gz CGKFNBDWCIWAAX-MRXNPFEDSA-N 1 2 330.359 4.080 20 5 EIBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1c(F)cccc1Cl ZINC001177543111 1050248645 /nfs/dbraw/zinc/24/86/45/1050248645.db2.gz ZSJPFRHFNQTJKM-UHFFFAOYSA-N 1 2 338.766 4.076 20 5 EIBDLO CCO[C@H](C)c1nc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000181837238 1050353726 /nfs/dbraw/zinc/35/37/26/1050353726.db2.gz FJEPUHFNEJTQNJ-QWHCGFSZSA-N 1 2 349.456 4.308 20 5 EIBDLO CCOc1ccc([N+](=O)[O-])cc1CNc1cc(CSCC)cc[nH+]1 ZINC001178188144 1050399459 /nfs/dbraw/zinc/39/94/59/1050399459.db2.gz MOSCRAQTTROEHV-UHFFFAOYSA-N 1 2 347.440 4.254 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3c3ccc(F)cc3)nc2c1 ZINC000083133446 1052833288 /nfs/dbraw/zinc/83/32/88/1052833288.db2.gz BGGZEBPONLJBJP-INIZCTEOSA-N 1 2 341.342 4.212 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3c3ccc(F)cc3)nc2c1 ZINC000083133446 1052833291 /nfs/dbraw/zinc/83/32/91/1052833291.db2.gz BGGZEBPONLJBJP-INIZCTEOSA-N 1 2 341.342 4.212 20 5 EIBDLO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CCc1ccccc1)C(F)F ZINC001196646104 1053713618 /nfs/dbraw/zinc/71/36/18/1053713618.db2.gz FXZQFALBSALQCC-SFHVURJKSA-N 1 2 348.393 4.336 20 5 EIBDLO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CCc1ccccc1)C(F)F ZINC001196646104 1053713628 /nfs/dbraw/zinc/71/36/28/1053713628.db2.gz FXZQFALBSALQCC-SFHVURJKSA-N 1 2 348.393 4.336 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000172076869 1053760580 /nfs/dbraw/zinc/76/05/80/1053760580.db2.gz UDWQOQCBWRUUDS-UHFFFAOYSA-N 1 2 337.832 4.264 20 5 EIBDLO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872017770 1054331749 /nfs/dbraw/zinc/33/17/49/1054331749.db2.gz DPJGPZRQTRDUDR-VXGBXAGGSA-N 1 2 348.374 4.163 20 5 EIBDLO CCc1nc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)cs1 ZINC000872033277 1054349532 /nfs/dbraw/zinc/34/95/32/1054349532.db2.gz AXPQCSKVPXLCID-JTQLQIEISA-N 1 2 337.470 4.186 20 5 EIBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(C(C)C)no1 ZINC000872033370 1054349642 /nfs/dbraw/zinc/34/96/42/1054349642.db2.gz CRBFXZNHMPTAHY-NSHDSACASA-N 1 2 335.429 4.279 20 5 EIBDLO CC(C)COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000173369626 1054352688 /nfs/dbraw/zinc/35/26/88/1054352688.db2.gz LBSDYYHBUAPOCO-PBHICJAKSA-N 1 2 332.400 4.252 20 5 EIBDLO C[C@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872074811 1054378489 /nfs/dbraw/zinc/37/84/89/1054378489.db2.gz HZNYJZUWTLIIHG-TYNCELHUSA-N 1 2 330.359 4.297 20 5 EIBDLO Cc1cc(Nc2ccc([NH+]3CCC(C)CC3)cc2)ncc1[N+](=O)[O-] ZINC000746389211 1060267089 /nfs/dbraw/zinc/26/70/89/1060267089.db2.gz FTBQVRYVFYCRBJ-UHFFFAOYSA-N 1 2 326.400 4.278 20 5 EIBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cc2cccc(F)c2o1 ZINC000475708696 1032398799 /nfs/dbraw/zinc/39/87/99/1032398799.db2.gz YKFMWBXKFQMYPB-SNVBAGLBSA-N 1 2 332.306 4.470 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000610217589 1019423821 /nfs/dbraw/zinc/42/38/21/1019423821.db2.gz LWDDZPILUVHXFP-TYILLQQXSA-N 1 2 344.386 4.257 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000610217589 1019423836 /nfs/dbraw/zinc/42/38/36/1019423836.db2.gz LWDDZPILUVHXFP-TYILLQQXSA-N 1 2 344.386 4.257 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000610217588 1019426072 /nfs/dbraw/zinc/42/60/72/1019426072.db2.gz LWDDZPILUVHXFP-PJIJBLCYSA-N 1 2 344.386 4.257 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000610217588 1019426085 /nfs/dbraw/zinc/42/60/85/1019426085.db2.gz LWDDZPILUVHXFP-PJIJBLCYSA-N 1 2 344.386 4.257 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000430218237 1019442609 /nfs/dbraw/zinc/44/26/09/1019442609.db2.gz IYTXSYOBWUCSGC-NSHDSACASA-N 1 2 349.456 4.208 20 5 EIBDLO Cc1csc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000180050968 1021487531 /nfs/dbraw/zinc/48/75/31/1021487531.db2.gz MHSJSVHUSUEHQW-GOSISDBHSA-N 1 2 339.420 4.239 20 5 EIBDLO C[C@H]([NH2+]Cc1cc(-c2cccs2)on1)c1cccc([N+](=O)[O-])c1 ZINC000180401270 1022612266 /nfs/dbraw/zinc/61/22/66/1022612266.db2.gz CHDZNVLSNQIUQN-NSHDSACASA-N 1 2 329.381 4.162 20 5 EIBDLO C[C@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180437439 1022658608 /nfs/dbraw/zinc/65/86/08/1022658608.db2.gz OTFRFPRYBBVWJB-NSHDSACASA-N 1 2 329.381 4.162 20 5 EIBDLO C[C@@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1cccc([N+](=O)[O-])c1 ZINC000180445753 1022666735 /nfs/dbraw/zinc/66/67/35/1022666735.db2.gz HKHDLWAVRIDGGW-LLVKDONJSA-N 1 2 329.381 4.162 20 5 EIBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1(F)F ZINC000549717579 1033101994 /nfs/dbraw/zinc/10/19/94/1033101994.db2.gz AWAFHRRZFUPVPN-VIFPVBQESA-N 1 2 338.276 4.091 20 5 EIBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1(F)F ZINC000549717579 1033102011 /nfs/dbraw/zinc/10/20/11/1033102011.db2.gz AWAFHRRZFUPVPN-VIFPVBQESA-N 1 2 338.276 4.091 20 5 EIBDLO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000511829804 1023918353 /nfs/dbraw/zinc/91/83/53/1023918353.db2.gz MCRWZCZNWVNDQP-FATIXEFFSA-N 1 2 338.407 4.070 20 5 EIBDLO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000511829804 1023918361 /nfs/dbraw/zinc/91/83/61/1023918361.db2.gz MCRWZCZNWVNDQP-FATIXEFFSA-N 1 2 338.407 4.070 20 5 EIBDLO CCn1ccnc1[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000430874343 1024155081 /nfs/dbraw/zinc/15/50/81/1024155081.db2.gz ZLEZPEGZBLKPLF-CNRGFGOASA-N 1 2 340.427 4.052 20 5 EIBDLO CCn1ccnc1[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000430874343 1024155090 /nfs/dbraw/zinc/15/50/90/1024155090.db2.gz ZLEZPEGZBLKPLF-CNRGFGOASA-N 1 2 340.427 4.052 20 5 EIBDLO CSc1ccc([C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000510775392 1024460236 /nfs/dbraw/zinc/46/02/36/1024460236.db2.gz DMPJLDJTNREMIU-JTQLQIEISA-N 1 2 338.379 4.446 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000432333571 1025628940 /nfs/dbraw/zinc/62/89/40/1025628940.db2.gz CCLDRECEHRJKCI-UHFFFAOYSA-N 1 2 342.786 4.105 20 5 EIBDLO COc1cc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)cs2)ccc1[N+](=O)[O-] ZINC000543514950 1025894879 /nfs/dbraw/zinc/89/48/79/1025894879.db2.gz ODZXBZQNDPSICV-NSHDSACASA-N 1 2 349.456 4.208 20 5 EIBDLO C[N@H+](Cc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1C(F)(F)F ZINC000507158231 1026668379 /nfs/dbraw/zinc/66/83/79/1026668379.db2.gz ZTZAUEWXXNDPFD-UHFFFAOYSA-N 1 2 342.292 4.385 20 5 EIBDLO C[N@@H+](Cc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1C(F)(F)F ZINC000507158231 1026668387 /nfs/dbraw/zinc/66/83/87/1026668387.db2.gz ZTZAUEWXXNDPFD-UHFFFAOYSA-N 1 2 342.292 4.385 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C2CC2)c1 ZINC000507156609 1026675454 /nfs/dbraw/zinc/67/54/54/1026675454.db2.gz UGSHXPFIOMIQPW-UHFFFAOYSA-N 1 2 348.406 4.150 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C2CC2)c1 ZINC000507156609 1026675465 /nfs/dbraw/zinc/67/54/65/1026675465.db2.gz UGSHXPFIOMIQPW-UHFFFAOYSA-N 1 2 348.406 4.150 20 5 EIBDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)[C@H](C)CO2)c1 ZINC000441445623 1027986112 /nfs/dbraw/zinc/98/61/12/1027986112.db2.gz YVXCMWFXSTUTIT-OXQOHEQNSA-N 1 2 340.423 4.174 20 5 EIBDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)[C@H](C)CO2)c1 ZINC000441445623 1027986129 /nfs/dbraw/zinc/98/61/29/1027986129.db2.gz YVXCMWFXSTUTIT-OXQOHEQNSA-N 1 2 340.423 4.174 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246631581 1029112659 /nfs/dbraw/zinc/11/26/59/1029112659.db2.gz WDSIKFKYQSZXFR-XNJGSVPQSA-N 1 2 332.425 4.179 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246631581 1029112670 /nfs/dbraw/zinc/11/26/70/1029112670.db2.gz WDSIKFKYQSZXFR-XNJGSVPQSA-N 1 2 332.425 4.179 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120651628 1034669268 /nfs/dbraw/zinc/66/92/68/1034669268.db2.gz WDSIKFKYQSZXFR-IIYDPXPESA-N 1 2 332.425 4.179 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120651628 1034669276 /nfs/dbraw/zinc/66/92/76/1034669276.db2.gz WDSIKFKYQSZXFR-IIYDPXPESA-N 1 2 332.425 4.179 20 5 EIBDLO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(c3ccc(F)cc3)CCC2)c(F)c1 ZINC000586767126 1035839289 /nfs/dbraw/zinc/83/92/89/1035839289.db2.gz KTMJKIIYYYGEKZ-UHFFFAOYSA-N 1 2 336.313 4.181 20 5 EIBDLO CC[C@@H]([NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602561793 1036497143 /nfs/dbraw/zinc/49/71/43/1036497143.db2.gz FZAJBLHJJWUPGG-IAGOWNOFSA-N 1 2 343.431 4.075 20 5 EIBDLO CCC[N@H+](Cc1ccccc1F)Cc1cc([N+](=O)[O-])ccc1OC ZINC000604493351 1037407068 /nfs/dbraw/zinc/40/70/68/1037407068.db2.gz SUMRXGVXBBWXNR-UHFFFAOYSA-N 1 2 332.375 4.155 20 5 EIBDLO CCC[N@@H+](Cc1ccccc1F)Cc1cc([N+](=O)[O-])ccc1OC ZINC000604493351 1037407091 /nfs/dbraw/zinc/40/70/91/1037407091.db2.gz SUMRXGVXBBWXNR-UHFFFAOYSA-N 1 2 332.375 4.155 20 5 EIBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c(Cl)c1 ZINC000063254616 1038134595 /nfs/dbraw/zinc/13/45/95/1038134595.db2.gz JNDCGVZPHXTFET-UHFFFAOYSA-N 1 2 346.749 4.185 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc3ccc(F)cc3o2)cc1[N+](=O)[O-] ZINC000539379285 1039036834 /nfs/dbraw/zinc/03/68/34/1039036834.db2.gz MJOAESDWPQGGDT-NSHDSACASA-N 1 2 329.331 4.034 20 5 EIBDLO CCc1ccc([C@@H]2C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000484358071 1041215895 /nfs/dbraw/zinc/21/58/95/1041215895.db2.gz YYDXCWWPAVNBHJ-QRWLVFNGSA-N 1 2 340.423 4.292 20 5 EIBDLO CCc1ccc([C@@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000484358071 1041215916 /nfs/dbraw/zinc/21/59/16/1041215916.db2.gz YYDXCWWPAVNBHJ-QRWLVFNGSA-N 1 2 340.423 4.292 20 5 EIBDLO CCc1ccc([C@H]2C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000484358068 1041216015 /nfs/dbraw/zinc/21/60/15/1041216015.db2.gz YYDXCWWPAVNBHJ-FOIQADDNSA-N 1 2 340.423 4.292 20 5 EIBDLO CCc1ccc([C@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)cc1 ZINC000484358068 1041216031 /nfs/dbraw/zinc/21/60/31/1041216031.db2.gz YYDXCWWPAVNBHJ-FOIQADDNSA-N 1 2 340.423 4.292 20 5 EIBDLO Cc1cccc2[nH+]cc(/C=C\c3nc4cc([N+](=O)[O-])ccc4s3)n21 ZINC000484469456 1041247603 /nfs/dbraw/zinc/24/76/03/1041247603.db2.gz QKFCNIXLUFHART-VURMDHGXSA-N 1 2 336.376 4.331 20 5 EIBDLO C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000030152293 1042491957 /nfs/dbraw/zinc/49/19/57/1042491957.db2.gz SSKXHXCTPVDXJM-DYVFJYSZSA-N 1 2 326.396 4.476 20 5 EIBDLO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000030152293 1042491964 /nfs/dbraw/zinc/49/19/64/1042491964.db2.gz SSKXHXCTPVDXJM-DYVFJYSZSA-N 1 2 326.396 4.476 20 5 EIBDLO CC(C)([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000492224632 1042585546 /nfs/dbraw/zinc/58/55/46/1042585546.db2.gz JWQQYXGGGUKWNU-UHFFFAOYSA-N 1 2 336.395 4.010 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000493312599 1042895367 /nfs/dbraw/zinc/89/53/67/1042895367.db2.gz YVVHDJPDKHZIJG-UHFFFAOYSA-N 1 2 336.741 4.413 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000493312599 1042895368 /nfs/dbraw/zinc/89/53/68/1042895368.db2.gz YVVHDJPDKHZIJG-UHFFFAOYSA-N 1 2 336.741 4.413 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000494187812 1043031765 /nfs/dbraw/zinc/03/17/65/1043031765.db2.gz DXFRKSJZXRETCM-UHFFFAOYSA-N 1 2 344.798 4.243 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000494187812 1043031770 /nfs/dbraw/zinc/03/17/70/1043031770.db2.gz DXFRKSJZXRETCM-UHFFFAOYSA-N 1 2 344.798 4.243 20 5 EIBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1nc(C(F)(F)F)cs1 ZINC000282466784 1043172369 /nfs/dbraw/zinc/17/23/69/1043172369.db2.gz KKUFMXKJCSCQDE-SSDOTTSWSA-N 1 2 349.309 4.060 20 5 EIBDLO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000185105496 1044714808 /nfs/dbraw/zinc/71/48/08/1044714808.db2.gz HICZAWDZGOFJMI-MRXNPFEDSA-N 1 2 341.411 4.122 20 5 EIBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nc(-c2ccncc2)cs1 ZINC000124050138 1044820257 /nfs/dbraw/zinc/82/02/57/1044820257.db2.gz FXIOWIPBMIGPTJ-SNVBAGLBSA-N 1 2 346.437 4.026 20 5 EIBDLO COc1cccc([C@H](C)[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000735490818 1044833072 /nfs/dbraw/zinc/83/30/72/1044833072.db2.gz RMXNOYINUPLWFN-LBPRGKRZSA-N 1 2 334.803 4.450 20 5 EIBDLO COc1cccc([C@H](C)[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000735490818 1044833073 /nfs/dbraw/zinc/83/30/73/1044833073.db2.gz RMXNOYINUPLWFN-LBPRGKRZSA-N 1 2 334.803 4.450 20 5 EIBDLO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1nccs1 ZINC000093582168 1044844942 /nfs/dbraw/zinc/84/49/42/1044844942.db2.gz RERYBHIYWWXHEE-UHFFFAOYSA-N 1 2 345.449 4.412 20 5 EIBDLO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)Cc1nccs1 ZINC000093582168 1044844945 /nfs/dbraw/zinc/84/49/45/1044844945.db2.gz RERYBHIYWWXHEE-UHFFFAOYSA-N 1 2 345.449 4.412 20 5 EIBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000509346043 1044992298 /nfs/dbraw/zinc/99/22/98/1044992298.db2.gz UVGPKNVKMFFBQP-SECBINFHSA-N 1 2 326.730 4.377 20 5 EIBDLO O=[N+]([O-])c1ccc(NCc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000301067563 1045237248 /nfs/dbraw/zinc/23/72/48/1045237248.db2.gz DRWZTWLZXUTYBU-UHFFFAOYSA-N 1 2 328.759 4.046 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(Cl)c2Cl)c(F)c1 ZINC000611497847 1045318684 /nfs/dbraw/zinc/31/86/84/1045318684.db2.gz KNJJORHBLNTNNS-UHFFFAOYSA-N 1 2 329.158 4.331 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000301085214 1045407009 /nfs/dbraw/zinc/40/70/09/1045407009.db2.gz KFGIBHARUYPJAR-UHFFFAOYSA-N 1 2 328.759 4.046 20 5 EIBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCCC3)c2)c(Cl)c1 ZINC000301122855 1045878624 /nfs/dbraw/zinc/87/86/24/1045878624.db2.gz XXYOWYMTRAZLAX-UHFFFAOYSA-N 1 2 346.818 4.246 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000792932568 1046112903 /nfs/dbraw/zinc/11/29/03/1046112903.db2.gz BXZGTJCOTJCQPD-UHFFFAOYSA-N 1 2 336.741 4.413 20 5 EIBDLO Nc1cc(COC(=O)c2c3ccccc3cc3ccccc32)cc[nH+]1 ZINC000787590689 1047026767 /nfs/dbraw/zinc/02/67/67/1047026767.db2.gz HQGCWEIMCIHEJB-UHFFFAOYSA-N 1 2 328.371 4.327 20 5 EIBDLO C[N@H+](Cc1cc2ccccc2c(Cl)n1)Cc1ccccc1[N+](=O)[O-] ZINC000788010385 1047078777 /nfs/dbraw/zinc/07/87/77/1047078777.db2.gz VJMHWZAJHROAJV-UHFFFAOYSA-N 1 2 341.798 4.428 20 5 EIBDLO C[N@@H+](Cc1cc2ccccc2c(Cl)n1)Cc1ccccc1[N+](=O)[O-] ZINC000788010385 1047078798 /nfs/dbraw/zinc/07/87/98/1047078798.db2.gz VJMHWZAJHROAJV-UHFFFAOYSA-N 1 2 341.798 4.428 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000155026037 1047884335 /nfs/dbraw/zinc/88/43/35/1047884335.db2.gz NBMLOCWXSKGNGD-LBPRGKRZSA-N 1 2 343.408 4.471 20 5 EIBDLO C[N@H+](Cc1ccc(O)cc1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811507131 1049117370 /nfs/dbraw/zinc/11/73/70/1049117370.db2.gz RURQDNCMKZIFMJ-UHFFFAOYSA-N 1 2 341.194 4.239 20 5 EIBDLO C[N@@H+](Cc1ccc(O)cc1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811507131 1049117399 /nfs/dbraw/zinc/11/73/99/1049117399.db2.gz RURQDNCMKZIFMJ-UHFFFAOYSA-N 1 2 341.194 4.239 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2cc(-c3cccs3)on2)cc1[N+](=O)[O-] ZINC000181830731 1050348582 /nfs/dbraw/zinc/34/85/82/1050348582.db2.gz ARMGWLIVKSHEBI-LBPRGKRZSA-N 1 2 343.408 4.471 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000619782606 1050900592 /nfs/dbraw/zinc/90/05/92/1050900592.db2.gz GAOHZRWBQSYHAG-WDEREUQCSA-N 1 2 344.396 4.118 20 5 EIBDLO CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC001190570779 1051218062 /nfs/dbraw/zinc/21/80/62/1051218062.db2.gz JMOHZHHTMRPXJC-LJQANCHMSA-N 1 2 326.396 4.200 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)c1 ZINC001195876567 1053512857 /nfs/dbraw/zinc/51/28/57/1053512857.db2.gz KRFGWGVJUZGETF-UHFFFAOYSA-N 1 2 334.375 4.413 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)c1 ZINC001195876567 1053512868 /nfs/dbraw/zinc/51/28/68/1053512868.db2.gz KRFGWGVJUZGETF-UHFFFAOYSA-N 1 2 334.375 4.413 20 5 EIBDLO CCOc1ccc(C2=CC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000509472921 1053539253 /nfs/dbraw/zinc/53/92/53/1053539253.db2.gz VCTHQGSQRKRKJS-UHFFFAOYSA-N 1 2 344.436 4.344 20 5 EIBDLO CCOc1ccc(C2=CC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000509472921 1053539267 /nfs/dbraw/zinc/53/92/67/1053539267.db2.gz VCTHQGSQRKRKJS-UHFFFAOYSA-N 1 2 344.436 4.344 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CCC(CCF)CC1 ZINC001196758737 1053738432 /nfs/dbraw/zinc/73/84/32/1053738432.db2.gz JYXLVVQEEKRZIR-UHFFFAOYSA-N 1 2 335.206 4.473 20 5 EIBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000872026423 1054344284 /nfs/dbraw/zinc/34/42/84/1054344284.db2.gz ANVMZUYRMYMCQM-QWRGUYRKSA-N 1 2 333.319 4.054 20 5 EIBDLO Cc1csc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000116381535 1054579920 /nfs/dbraw/zinc/57/99/20/1054579920.db2.gz RWQOZOCXAZREMF-UHFFFAOYSA-N 1 2 325.821 4.038 20 5 EIBDLO Cc1csc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3Cl)CCC2)n1 ZINC000273025154 1055487244 /nfs/dbraw/zinc/48/72/44/1055487244.db2.gz BELGSSVVLPNUJM-UHFFFAOYSA-N 1 2 337.832 4.182 20 5 EIBDLO CC(C)c1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000532329032 1032144497 /nfs/dbraw/zinc/14/44/97/1032144497.db2.gz NQODDTVJBCZGOO-UHFFFAOYSA-N 1 2 348.472 4.157 20 5 EIBDLO C[C@@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180415266 1022641410 /nfs/dbraw/zinc/64/14/10/1022641410.db2.gz JFHGTRTUNPCILZ-GFCCVEGCSA-N 1 2 341.342 4.240 20 5 EIBDLO CC(C)[N@H+](Cc1csc(C2CC2)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000135126013 1023105040 /nfs/dbraw/zinc/10/50/40/1023105040.db2.gz LMRWJFQNTHBTLN-UHFFFAOYSA-N 1 2 331.441 4.339 20 5 EIBDLO CC(C)[N@@H+](Cc1csc(C2CC2)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC000135126013 1023105045 /nfs/dbraw/zinc/10/50/45/1023105045.db2.gz LMRWJFQNTHBTLN-UHFFFAOYSA-N 1 2 331.441 4.339 20 5 EIBDLO Cc1cc(C)c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000097040257 1023388739 /nfs/dbraw/zinc/38/87/39/1023388739.db2.gz FDINRARHDLZVHS-CYBMUJFWSA-N 1 2 345.424 4.034 20 5 EIBDLO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000588444949 1023930517 /nfs/dbraw/zinc/93/05/17/1023930517.db2.gz BWKNEBXVZQLQCW-SEYXRHQNSA-N 1 2 348.362 4.027 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1csc(Cl)c1Cl ZINC000432246776 1024753817 /nfs/dbraw/zinc/75/38/17/1024753817.db2.gz NYRURSPWNXSDMJ-UHFFFAOYSA-N 1 2 347.223 4.262 20 5 EIBDLO CC(C)c1ccc(C(C)(C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000610786863 1024850784 /nfs/dbraw/zinc/85/07/84/1024850784.db2.gz GTYCYEMRCRXTGX-UHFFFAOYSA-N 1 2 328.412 4.449 20 5 EIBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000274572054 1025365615 /nfs/dbraw/zinc/36/56/15/1025365615.db2.gz HLSHBEGDKJOFNA-IUCAKERBSA-N 1 2 345.346 4.482 20 5 EIBDLO C[N@H+](Cc1ccccc1Oc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000500445794 1025376384 /nfs/dbraw/zinc/37/63/84/1025376384.db2.gz FAOBAGSGEBBEEA-UHFFFAOYSA-N 1 2 349.390 4.414 20 5 EIBDLO C[N@@H+](Cc1ccccc1Oc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000500445794 1025376402 /nfs/dbraw/zinc/37/64/02/1025376402.db2.gz FAOBAGSGEBBEEA-UHFFFAOYSA-N 1 2 349.390 4.414 20 5 EIBDLO CCC[C@H]([NH2+][C@@H](C)c1nnc([C@H](C)CC)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000277266133 1025428350 /nfs/dbraw/zinc/42/83/50/1025428350.db2.gz PJMNHVPBJLCPBU-WWGRRREGSA-N 1 2 345.447 4.418 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000157319025 1025846745 /nfs/dbraw/zinc/84/67/45/1025846745.db2.gz RXOXQLQXKUIQJF-SECBINFHSA-N 1 2 345.346 4.229 20 5 EIBDLO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1nc(C(C)C)c(C)s1 ZINC000344170204 1026090710 /nfs/dbraw/zinc/09/07/10/1026090710.db2.gz WMLMAQJKVVYNAI-UHFFFAOYSA-N 1 2 349.456 4.172 20 5 EIBDLO Cc1c(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000550123807 1026179240 /nfs/dbraw/zinc/17/92/40/1026179240.db2.gz XQNQSYTWGLQFKR-SFHVURJKSA-N 1 2 346.814 4.130 20 5 EIBDLO Cc1c(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000550123807 1026179255 /nfs/dbraw/zinc/17/92/55/1026179255.db2.gz XQNQSYTWGLQFKR-SFHVURJKSA-N 1 2 346.814 4.130 20 5 EIBDLO COc1cc(C[N@H+]([C@@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184265273 1026303198 /nfs/dbraw/zinc/30/31/98/1026303198.db2.gz OQMANKHVUSKZRP-NSHDSACASA-N 1 2 334.347 4.061 20 5 EIBDLO COc1cc(C[N@@H+]([C@@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184265273 1026303213 /nfs/dbraw/zinc/30/32/13/1026303213.db2.gz OQMANKHVUSKZRP-NSHDSACASA-N 1 2 334.347 4.061 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000507312357 1026736804 /nfs/dbraw/zinc/73/68/04/1026736804.db2.gz SMWJHFWNIJQMOR-FQEVSTJZSA-N 1 2 333.391 4.002 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000507312357 1026736815 /nfs/dbraw/zinc/73/68/15/1026736815.db2.gz SMWJHFWNIJQMOR-FQEVSTJZSA-N 1 2 333.391 4.002 20 5 EIBDLO CC[C@H]1C[C@]1([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000500510777 1026808956 /nfs/dbraw/zinc/80/89/56/1026808956.db2.gz BNVMJSLMJIBBJA-HNAYVOBHSA-N 1 2 326.396 4.024 20 5 EIBDLO Cc1ccc(-c2nc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])co2)cc1 ZINC000514826628 1027940467 /nfs/dbraw/zinc/94/04/67/1027940467.db2.gz OOIVUTHCFVNIFM-GOSISDBHSA-N 1 2 349.390 4.335 20 5 EIBDLO Cc1c([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cccc1[N+](=O)[O-] ZINC000186048191 1029258852 /nfs/dbraw/zinc/25/88/52/1029258852.db2.gz AZEIFOVKTIIEQO-OAHLLOKOSA-N 1 2 348.406 4.211 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nnc(-c2cccs2)o1 ZINC000451103200 1030247841 /nfs/dbraw/zinc/24/78/41/1030247841.db2.gz HDXMCAGGBMOFDO-WDEREUQCSA-N 1 2 344.396 4.118 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccs2)no1 ZINC000451103204 1030249018 /nfs/dbraw/zinc/24/90/18/1030249018.db2.gz HEMNFJAJJZACBH-WDEREUQCSA-N 1 2 344.396 4.118 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccc1F)C(C)C ZINC000520173172 1031326443 /nfs/dbraw/zinc/32/64/43/1031326443.db2.gz QYPULXMUMLSDAW-UHFFFAOYSA-N 1 2 332.375 4.153 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccccc1F)C(C)C ZINC000520173172 1031326462 /nfs/dbraw/zinc/32/64/62/1031326462.db2.gz QYPULXMUMLSDAW-UHFFFAOYSA-N 1 2 332.375 4.153 20 5 EIBDLO CC(C)c1ccc(C[NH2+][C@H](C)c2c(F)cncc2F)cc1[N+](=O)[O-] ZINC000513047496 1034365247 /nfs/dbraw/zinc/36/52/47/1034365247.db2.gz SPPCYAZDJFPSRY-LLVKDONJSA-N 1 2 335.354 4.242 20 5 EIBDLO Cc1cc(C)c(CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)c[nH+]1 ZINC000596262115 1035846118 /nfs/dbraw/zinc/84/61/18/1035846118.db2.gz MUDNLZKYCANPEJ-UHFFFAOYSA-N 1 2 325.290 4.238 20 5 EIBDLO COc1cc(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000485742267 1036239825 /nfs/dbraw/zinc/23/98/25/1036239825.db2.gz GIIXCABZWZUFCM-NSHDSACASA-N 1 2 336.338 4.075 20 5 EIBDLO COc1cc(C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000485742267 1036239832 /nfs/dbraw/zinc/23/98/32/1036239832.db2.gz GIIXCABZWZUFCM-NSHDSACASA-N 1 2 336.338 4.075 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000603856730 1037050542 /nfs/dbraw/zinc/05/05/42/1037050542.db2.gz VAYIKPSLZSYLOA-GFCCVEGCSA-N 1 2 334.803 4.450 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000603856730 1037050557 /nfs/dbraw/zinc/05/05/57/1037050557.db2.gz VAYIKPSLZSYLOA-GFCCVEGCSA-N 1 2 334.803 4.450 20 5 EIBDLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000122040194 1038846326 /nfs/dbraw/zinc/84/63/26/1038846326.db2.gz VRKKRQYLGNOHGB-LBPRGKRZSA-N 1 2 349.456 4.124 20 5 EIBDLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000122040194 1038846332 /nfs/dbraw/zinc/84/63/32/1038846332.db2.gz VRKKRQYLGNOHGB-LBPRGKRZSA-N 1 2 349.456 4.124 20 5 EIBDLO O=[N+]([O-])c1cccc(COc2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000550989826 1039855709 /nfs/dbraw/zinc/85/57/09/1039855709.db2.gz AKUCVAZDMHMUFD-UHFFFAOYSA-N 1 2 349.390 4.374 20 5 EIBDLO Cc1ccccc1[C@H]([C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000443218876 1040800824 /nfs/dbraw/zinc/80/08/24/1040800824.db2.gz UOECOSKSRIFQRM-YRNRMSPPSA-N 1 2 341.455 4.245 20 5 EIBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000483649789 1040930533 /nfs/dbraw/zinc/93/05/33/1040930533.db2.gz HVRPLOTWZCPIEC-SUIFULHWSA-N 1 2 344.415 4.029 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000128427337 1041389487 /nfs/dbraw/zinc/38/94/87/1041389487.db2.gz ZVFIRLDGJBIHJN-LBPRGKRZSA-N 1 2 343.408 4.471 20 5 EIBDLO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000541620593 1042048389 /nfs/dbraw/zinc/04/83/89/1042048389.db2.gz MGNHLPVAXPBIFB-UHFFFAOYSA-N 1 2 345.402 4.215 20 5 EIBDLO O=[N+]([O-])c1cnc2c(c1)C[N@H+](Cc1ccc(-c3ccccc3)cc1)CC2 ZINC000541620593 1042048398 /nfs/dbraw/zinc/04/83/98/1042048398.db2.gz MGNHLPVAXPBIFB-UHFFFAOYSA-N 1 2 345.402 4.215 20 5 EIBDLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000464726289 1042142622 /nfs/dbraw/zinc/14/26/22/1042142622.db2.gz RQDMZSWARLIVCQ-SGTLLEGYSA-N 1 2 332.350 4.456 20 5 EIBDLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000464726289 1042142627 /nfs/dbraw/zinc/14/26/27/1042142627.db2.gz RQDMZSWARLIVCQ-SGTLLEGYSA-N 1 2 332.350 4.456 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000030463150 1042530418 /nfs/dbraw/zinc/53/04/18/1042530418.db2.gz OHHRBZZZLKEBBP-AWEZNQCLSA-N 1 2 345.830 4.131 20 5 EIBDLO O=[N+]([O-])c1ccc(NCc2cccc(Cn3cc[nH+]c3)c2)c(Cl)c1 ZINC000030587534 1042569830 /nfs/dbraw/zinc/56/98/30/1042569830.db2.gz AORPQWQKMYOYAX-UHFFFAOYSA-N 1 2 342.786 4.105 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000015299445 1042726378 /nfs/dbraw/zinc/72/63/78/1042726378.db2.gz DJXKOZCDJWEJOM-UHFFFAOYSA-N 1 2 328.393 4.452 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccco2)Cc2cccs2)c1 ZINC000015299445 1042726385 /nfs/dbraw/zinc/72/63/85/1042726385.db2.gz DJXKOZCDJWEJOM-UHFFFAOYSA-N 1 2 328.393 4.452 20 5 EIBDLO CC(C)([NH2+]Cc1coc(-c2cccs2)n1)c1ccccc1[N+](=O)[O-] ZINC000429236000 1043827140 /nfs/dbraw/zinc/82/71/40/1043827140.db2.gz KRXQSLGHRUWWAW-UHFFFAOYSA-N 1 2 343.408 4.336 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732987074 1044064439 /nfs/dbraw/zinc/06/44/39/1044064439.db2.gz REJAVJHCSKDROU-QGZVFWFLSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000732987074 1044064456 /nfs/dbraw/zinc/06/44/56/1044064456.db2.gz REJAVJHCSKDROU-QGZVFWFLSA-N 1 2 348.349 4.219 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000735492696 1044832155 /nfs/dbraw/zinc/83/21/55/1044832155.db2.gz STGRVVMILQRJRS-UHFFFAOYSA-N 1 2 344.798 4.243 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000735492696 1044832157 /nfs/dbraw/zinc/83/21/57/1044832157.db2.gz STGRVVMILQRJRS-UHFFFAOYSA-N 1 2 344.798 4.243 20 5 EIBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](CCC(F)(F)F)CC2CC2)c(F)c1 ZINC000509375629 1045058765 /nfs/dbraw/zinc/05/87/65/1045058765.db2.gz ZUIRDSLHZJZXAG-UHFFFAOYSA-N 1 2 338.276 4.037 20 5 EIBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](CCC(F)(F)F)CC2CC2)c(F)c1 ZINC000509375629 1045058785 /nfs/dbraw/zinc/05/87/85/1045058785.db2.gz ZUIRDSLHZJZXAG-UHFFFAOYSA-N 1 2 338.276 4.037 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000611336398 1045282015 /nfs/dbraw/zinc/28/20/15/1045282015.db2.gz LAZALCASKNHWLT-SECBINFHSA-N 1 2 342.292 4.310 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(c4cccc(Cl)c4)CC3)nc2c1 ZINC000611396396 1045300097 /nfs/dbraw/zinc/30/00/97/1045300097.db2.gz SNMVYHXKXWNVHQ-UHFFFAOYSA-N 1 2 343.770 4.168 20 5 EIBDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792863604 1046079574 /nfs/dbraw/zinc/07/95/74/1046079574.db2.gz ZEJUVHKPRSVCQP-CQSZACIVSA-N 1 2 347.396 4.074 20 5 EIBDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792863604 1046079592 /nfs/dbraw/zinc/07/95/92/1046079592.db2.gz ZEJUVHKPRSVCQP-CQSZACIVSA-N 1 2 347.396 4.074 20 5 EIBDLO C[C@]12CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000792905168 1046099575 /nfs/dbraw/zinc/09/95/75/1046099575.db2.gz HVMZKDBMRRYHOU-OLZOCXBDSA-N 1 2 349.645 4.264 20 5 EIBDLO C[C@]12CC[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000792905168 1046099590 /nfs/dbraw/zinc/09/95/90/1046099590.db2.gz HVMZKDBMRRYHOU-OLZOCXBDSA-N 1 2 349.645 4.264 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@@H]3c3ccccc3)c2c1 ZINC000917448731 1046893702 /nfs/dbraw/zinc/89/37/02/1046893702.db2.gz MFFOXJLYHAIMNO-CQSZACIVSA-N 1 2 341.392 4.276 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CC[C@@H]3c3ccccc3)c2c1 ZINC000917448731 1046893711 /nfs/dbraw/zinc/89/37/11/1046893711.db2.gz MFFOXJLYHAIMNO-CQSZACIVSA-N 1 2 341.392 4.276 20 5 EIBDLO Cc1ccc([C@@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000537425033 1047216682 /nfs/dbraw/zinc/21/66/82/1047216682.db2.gz GKTBXVVDHGPTEF-OAHLLOKOSA-N 1 2 340.427 4.462 20 5 EIBDLO C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1cccc([N+](=O)[O-])c1 ZINC000192544146 1047436151 /nfs/dbraw/zinc/43/61/51/1047436151.db2.gz KTJYDORWCCDKNF-LLVKDONJSA-N 1 2 329.381 4.162 20 5 EIBDLO Cc1c([C@@H](C)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cccc1[N+](=O)[O-] ZINC000182910617 1050876486 /nfs/dbraw/zinc/87/64/86/1050876486.db2.gz KMFQFFMROLLZKA-CYBMUJFWSA-N 1 2 340.358 4.401 20 5 EIBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1Br ZINC001180281159 1050951648 /nfs/dbraw/zinc/95/16/48/1050951648.db2.gz XDFXLEXBTQSFBY-JOYOIKCWSA-N 1 2 345.262 4.183 20 5 EIBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1Br ZINC001180281159 1050951663 /nfs/dbraw/zinc/95/16/63/1050951663.db2.gz XDFXLEXBTQSFBY-JOYOIKCWSA-N 1 2 345.262 4.183 20 5 EIBDLO Cc1c([C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000183149120 1050990192 /nfs/dbraw/zinc/99/01/92/1050990192.db2.gz HMAREUWROSAYAW-CQSZACIVSA-N 1 2 326.400 4.072 20 5 EIBDLO c1ccc2[nH+]c3ccc(Nc4ccc(-c5nn[nH]n5)cc4)cc3cc2c1 ZINC001175433196 1051590569 /nfs/dbraw/zinc/59/05/69/1051590569.db2.gz RTYSKVUNOGVVSW-UHFFFAOYSA-N 1 2 338.374 4.312 20 5 EIBDLO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000775550915 1051821049 /nfs/dbraw/zinc/82/10/49/1051821049.db2.gz PSBMERYLUZVQOK-SECBINFHSA-N 1 2 326.730 4.377 20 5 EIBDLO CC(C)COC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000173369600 1054352128 /nfs/dbraw/zinc/35/21/28/1054352128.db2.gz LBSDYYHBUAPOCO-YOEHRIQHSA-N 1 2 332.400 4.252 20 5 EIBDLO CCc1cnc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)s1 ZINC000872037697 1054353686 /nfs/dbraw/zinc/35/36/86/1054353686.db2.gz FCWPBXHWNFJTON-SNVBAGLBSA-N 1 2 337.470 4.186 20 5 EIBDLO CCCCCn1cc(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c(C)n1 ZINC000872054472 1054363591 /nfs/dbraw/zinc/36/35/91/1054363591.db2.gz WRFNPCPVWIUIAE-AWEZNQCLSA-N 1 2 348.422 4.280 20 5 EIBDLO COCC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000872059819 1054369871 /nfs/dbraw/zinc/36/98/71/1054369871.db2.gz IYSBBXWYXDDVOT-GXTWGEPZSA-N 1 2 336.363 4.064 20 5 EIBDLO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087188 1054385221 /nfs/dbraw/zinc/38/52/21/1054385221.db2.gz GWTRNTBOTUYSGA-KZULUSFZSA-N 1 2 329.375 4.321 20 5 EIBDLO CC1(C)C[C@H]([NH2+]Cc2ncc(Cl)s2)c2cc([N+](=O)[O-])ccc21 ZINC000872116593 1054396042 /nfs/dbraw/zinc/39/60/42/1054396042.db2.gz SXPIYCDWBVFCNC-LBPRGKRZSA-N 1 2 337.832 4.217 20 5 EIBDLO C[C@@H]1CC[N@H+]2[C@H](c3c4ccccc4cc4ccccc43)NC(=O)[C@@H]2C1 ZINC000877852417 1055137826 /nfs/dbraw/zinc/13/78/26/1055137826.db2.gz BMKKRUPRSKFUGW-XWRIVVANSA-N 1 2 330.431 4.222 20 5 EIBDLO C[C@@H]1CC[N@@H+]2[C@H](c3c4ccccc4cc4ccccc43)NC(=O)[C@@H]2C1 ZINC000877852417 1055137831 /nfs/dbraw/zinc/13/78/31/1055137831.db2.gz BMKKRUPRSKFUGW-XWRIVVANSA-N 1 2 330.431 4.222 20 5 EIBDLO C[C@H]([NH2+]Cc1c(Cl)cncc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001168604585 1055207184 /nfs/dbraw/zinc/20/71/84/1055207184.db2.gz PNDUPQLGHPTDKT-VIFPVBQESA-N 1 2 326.183 4.147 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC001169553733 1060854436 /nfs/dbraw/zinc/85/44/36/1060854436.db2.gz DMGZWLHHZXLAOI-QFBILLFUSA-N 1 2 340.423 4.192 20 5 EIBDLO Cc1noc(C)c1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180233765 1022335380 /nfs/dbraw/zinc/33/53/80/1022335380.db2.gz GRHZUOMXRPCHBS-IBGZPJMESA-N 1 2 337.379 4.079 20 5 EIBDLO CC(C)CCc1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000180445194 1022666890 /nfs/dbraw/zinc/66/68/90/1022666890.db2.gz QRKFUYJBBSZQET-CYBMUJFWSA-N 1 2 333.457 4.491 20 5 EIBDLO C[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000430749478 1024007665 /nfs/dbraw/zinc/00/76/65/1024007665.db2.gz VMMKJYXUYDEHMX-MRVPVSSYSA-N 1 2 328.265 4.002 20 5 EIBDLO CC[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000430762539 1024017356 /nfs/dbraw/zinc/01/73/56/1024017356.db2.gz OMCVWOTUIMPLFD-AWEZNQCLSA-N 1 2 342.292 4.392 20 5 EIBDLO C[N@H+](Cc1cnc(-c2ccsc2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000507163618 1026672069 /nfs/dbraw/zinc/67/20/69/1026672069.db2.gz ZPEJFAOIFGZARH-UHFFFAOYSA-N 1 2 345.449 4.412 20 5 EIBDLO C[N@@H+](Cc1cnc(-c2ccsc2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000507163618 1026672074 /nfs/dbraw/zinc/67/20/74/1026672074.db2.gz ZPEJFAOIFGZARH-UHFFFAOYSA-N 1 2 345.449 4.412 20 5 EIBDLO C[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507169574 1026684969 /nfs/dbraw/zinc/68/49/69/1026684969.db2.gz WTLRANLEKHTMOU-UHFFFAOYSA-N 1 2 342.292 4.385 20 5 EIBDLO C[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000507169574 1026684974 /nfs/dbraw/zinc/68/49/74/1026684974.db2.gz WTLRANLEKHTMOU-UHFFFAOYSA-N 1 2 342.292 4.385 20 5 EIBDLO O=[N+]([O-])c1ncccc1C[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC001167599649 1026951890 /nfs/dbraw/zinc/95/18/90/1026951890.db2.gz XKEQSQWYZFNTDT-UHFFFAOYSA-N 1 2 347.365 4.213 20 5 EIBDLO O=[N+]([O-])c1ncccc1C[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC001167599649 1026951895 /nfs/dbraw/zinc/95/18/95/1026951895.db2.gz XKEQSQWYZFNTDT-UHFFFAOYSA-N 1 2 347.365 4.213 20 5 EIBDLO CC[C@@H](C)COc1cc([N+](=O)[O-])c(COc2cc[nH+]cc2)cc1OC ZINC000431507561 1027729916 /nfs/dbraw/zinc/72/99/16/1027729916.db2.gz UGJAJEDPTLGEOV-CYBMUJFWSA-N 1 2 346.383 4.002 20 5 EIBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780378721 1028445996 /nfs/dbraw/zinc/44/59/96/1028445996.db2.gz FSCGHWPDHUWVEW-GXSJLCMTSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780378721 1028446002 /nfs/dbraw/zinc/44/60/02/1028446002.db2.gz FSCGHWPDHUWVEW-GXSJLCMTSA-N 1 2 336.741 4.411 20 5 EIBDLO O=[N+]([O-])c1ccc(CSCc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000445597296 1028787481 /nfs/dbraw/zinc/78/74/81/1028787481.db2.gz OMOOOISEXRLRKU-UHFFFAOYSA-N 1 2 339.420 4.273 20 5 EIBDLO Cc1ccccc1[C@@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000524756907 1029206235 /nfs/dbraw/zinc/20/62/35/1029206235.db2.gz QSOATHBSLISBOR-BEFAXECRSA-N 1 2 326.396 4.038 20 5 EIBDLO Cc1ccccc1[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000524756907 1029206247 /nfs/dbraw/zinc/20/62/47/1029206247.db2.gz QSOATHBSLISBOR-BEFAXECRSA-N 1 2 326.396 4.038 20 5 EIBDLO CCCc1ncc(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)o1 ZINC000449612729 1031871164 /nfs/dbraw/zinc/87/11/64/1031871164.db2.gz OFHZSVWSHHMTMZ-UHFFFAOYSA-N 1 2 341.367 4.085 20 5 EIBDLO CC(C)([NH2+]Cc1ccc(Cl)nc1Cl)c1ccccc1[N+](=O)[O-] ZINC000292048795 1033496889 /nfs/dbraw/zinc/49/68/89/1033496889.db2.gz BGWCYQGCXONWHC-UHFFFAOYSA-N 1 2 340.210 4.322 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nc(C(C)C)cs1 ZINC000595013208 1035504494 /nfs/dbraw/zinc/50/44/94/1035504494.db2.gz GABWMQHHPDLZEX-LLVKDONJSA-N 1 2 335.429 4.034 20 5 EIBDLO CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595420663 1035675910 /nfs/dbraw/zinc/67/59/10/1035675910.db2.gz QBVLJPADJALVBE-HNNXBMFYSA-N 1 2 347.415 4.167 20 5 EIBDLO Cc1cc([C@@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491160606 1035817947 /nfs/dbraw/zinc/81/79/47/1035817947.db2.gz IGMYATJJKQCGEI-KUHUBIRLSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1cc([C@@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491160606 1035817949 /nfs/dbraw/zinc/81/79/49/1035817949.db2.gz IGMYATJJKQCGEI-KUHUBIRLSA-N 1 2 344.386 4.177 20 5 EIBDLO CC1(CC(F)F)C[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602701004 1036575592 /nfs/dbraw/zinc/57/55/92/1036575592.db2.gz PURSWXVGUNPMOU-UHFFFAOYSA-N 1 2 338.276 4.091 20 5 EIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000489276933 1037924234 /nfs/dbraw/zinc/92/42/34/1037924234.db2.gz KXUZELAWSCNIEN-FZKQIMNGSA-N 1 2 346.814 4.383 20 5 EIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000489276933 1037924255 /nfs/dbraw/zinc/92/42/55/1037924255.db2.gz KXUZELAWSCNIEN-FZKQIMNGSA-N 1 2 346.814 4.383 20 5 EIBDLO Cc1cc(N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c(F)cc1[N+](=O)[O-] ZINC000461969973 1038857314 /nfs/dbraw/zinc/85/73/14/1038857314.db2.gz UXKXIZUZEHNGEQ-CYBMUJFWSA-N 1 2 340.358 4.401 20 5 EIBDLO CC[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000192751765 1040477303 /nfs/dbraw/zinc/47/73/03/1040477303.db2.gz AVOYHFXJHQVTJY-QGZVFWFLSA-N 1 2 326.400 4.153 20 5 EIBDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000553909802 1040622745 /nfs/dbraw/zinc/62/27/45/1040622745.db2.gz QQDQJEKONYABFM-YVEFUNNKSA-N 1 2 331.803 4.226 20 5 EIBDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000553909802 1040622752 /nfs/dbraw/zinc/62/27/52/1040622752.db2.gz QQDQJEKONYABFM-YVEFUNNKSA-N 1 2 331.803 4.226 20 5 EIBDLO Cc1c([C@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)cccc1[N+](=O)[O-] ZINC000539626571 1040625949 /nfs/dbraw/zinc/62/59/49/1040625949.db2.gz ANXFEPVFCBZLBU-HNNXBMFYSA-N 1 2 340.427 4.462 20 5 EIBDLO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000553911024 1040626537 /nfs/dbraw/zinc/62/65/37/1040626537.db2.gz XXHQTPIQDUFOBP-BLLLJJGKSA-N 1 2 331.803 4.226 20 5 EIBDLO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000553911024 1040626543 /nfs/dbraw/zinc/62/65/43/1040626543.db2.gz XXHQTPIQDUFOBP-BLLLJJGKSA-N 1 2 331.803 4.226 20 5 EIBDLO C[C@@H](Nc1ccc(N2CCCCC2)c[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000539627760 1040632128 /nfs/dbraw/zinc/63/21/28/1040632128.db2.gz JMDUABIUDSVLTB-CQSZACIVSA-N 1 2 326.400 4.153 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1ccc(N2CCCCC2)c[nH+]1 ZINC000538526334 1041392142 /nfs/dbraw/zinc/39/21/42/1041392142.db2.gz BUFZSOYQMFBJFF-OAHLLOKOSA-N 1 2 340.427 4.462 20 5 EIBDLO COc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])cc1F ZINC000464677137 1042115506 /nfs/dbraw/zinc/11/55/06/1042115506.db2.gz LRGQWZFYFNYOSX-LRDDRELGSA-N 1 2 348.374 4.309 20 5 EIBDLO COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2c2ccco2)c([N+](=O)[O-])cc1F ZINC000464677137 1042115514 /nfs/dbraw/zinc/11/55/14/1042115514.db2.gz LRGQWZFYFNYOSX-LRDDRELGSA-N 1 2 348.374 4.309 20 5 EIBDLO CC(C)CCc1nc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000271775897 1042364799 /nfs/dbraw/zinc/36/47/99/1042364799.db2.gz RJBGHTHBHHZDQO-CYBMUJFWSA-N 1 2 333.457 4.491 20 5 EIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000439548597 1042681261 /nfs/dbraw/zinc/68/12/61/1042681261.db2.gz JOUAJTMZHUZNJQ-AWEZNQCLSA-N 1 2 345.830 4.131 20 5 EIBDLO CC[C@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173941188 1044196998 /nfs/dbraw/zinc/19/69/98/1044196998.db2.gz LALXBNMMWYXKFY-HNNXBMFYSA-N 1 2 339.848 4.428 20 5 EIBDLO COc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000734835034 1044695165 /nfs/dbraw/zinc/69/51/65/1044695165.db2.gz HGEBXLNEQDUYTM-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])cc1F ZINC000734835034 1044695167 /nfs/dbraw/zinc/69/51/67/1044695167.db2.gz HGEBXLNEQDUYTM-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO CC(C)c1ccc([C@H](C)[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000542549415 1044874535 /nfs/dbraw/zinc/87/45/35/1044874535.db2.gz JPJNNBCYRWLETE-AWEZNQCLSA-N 1 2 325.412 4.233 20 5 EIBDLO CC(C)c1ccc([C@H](C)[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000542549415 1044874537 /nfs/dbraw/zinc/87/45/37/1044874537.db2.gz JPJNNBCYRWLETE-AWEZNQCLSA-N 1 2 325.412 4.233 20 5 EIBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(Cl)s1 ZINC000508990369 1044886266 /nfs/dbraw/zinc/88/62/66/1044886266.db2.gz GKPMDFBFUXAYCO-ZETCQYMHSA-N 1 2 332.759 4.439 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(c4ccc(Cl)cc4)CC3)nc2c1 ZINC000611394452 1045299477 /nfs/dbraw/zinc/29/94/77/1045299477.db2.gz JPDHXGUKRPRTAL-UHFFFAOYSA-N 1 2 343.770 4.168 20 5 EIBDLO COc1ccc(C[C@@H](C)[N@@H+]2Cc3ccc(Cl)cc3C2)c([N+](=O)[O-])c1 ZINC001170353150 1046008248 /nfs/dbraw/zinc/00/82/48/1046008248.db2.gz WTCCZJHBDMWFRG-GFCCVEGCSA-N 1 2 346.814 4.204 20 5 EIBDLO COc1ccc(C[C@@H](C)[N@H+]2Cc3ccc(Cl)cc3C2)c([N+](=O)[O-])c1 ZINC001170353150 1046008263 /nfs/dbraw/zinc/00/82/63/1046008263.db2.gz WTCCZJHBDMWFRG-GFCCVEGCSA-N 1 2 346.814 4.204 20 5 EIBDLO CC(C)c1ncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000154276956 1046670783 /nfs/dbraw/zinc/67/07/83/1046670783.db2.gz PDJJLACXCHGYBX-UHFFFAOYSA-N 1 2 331.441 4.339 20 5 EIBDLO CC(C)c1ncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000154276956 1046670792 /nfs/dbraw/zinc/67/07/92/1046670792.db2.gz PDJJLACXCHGYBX-UHFFFAOYSA-N 1 2 331.441 4.339 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnc(C3CCC3)s2)C2CC2)c1 ZINC000154297420 1046765759 /nfs/dbraw/zinc/76/57/59/1046765759.db2.gz GUTBWWLILNUGIX-UHFFFAOYSA-N 1 2 343.452 4.483 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnc(C3CCC3)s2)C2CC2)c1 ZINC000154297420 1046765771 /nfs/dbraw/zinc/76/57/71/1046765771.db2.gz GUTBWWLILNUGIX-UHFFFAOYSA-N 1 2 343.452 4.483 20 5 EIBDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459636778 1046826824 /nfs/dbraw/zinc/82/68/24/1046826824.db2.gz QURZYSAABKMJFB-VIFPVBQESA-N 1 2 337.832 4.044 20 5 EIBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC2(CCCC2)O1 ZINC000788487023 1047200230 /nfs/dbraw/zinc/20/02/30/1047200230.db2.gz BCFNVOOJDFEGIT-OAHLLOKOSA-N 1 2 338.835 4.172 20 5 EIBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCC2(CCCC2)O1 ZINC000788487023 1047200208 /nfs/dbraw/zinc/20/02/08/1047200208.db2.gz BCFNVOOJDFEGIT-OAHLLOKOSA-N 1 2 338.835 4.172 20 5 EIBDLO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1csc([N+](=O)[O-])c1)CCC2 ZINC000152551121 1047315611 /nfs/dbraw/zinc/31/56/11/1047315611.db2.gz ZJECVQDPUOXYLJ-LBPRGKRZSA-N 1 2 337.470 4.185 20 5 EIBDLO CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1csc([N+](=O)[O-])c1)CCC2 ZINC000152551121 1047315616 /nfs/dbraw/zinc/31/56/16/1047315616.db2.gz ZJECVQDPUOXYLJ-LBPRGKRZSA-N 1 2 337.470 4.185 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000217381664 1048344125 /nfs/dbraw/zinc/34/41/25/1048344125.db2.gz XPOQBEJQJSFAPD-NSHDSACASA-N 1 2 349.774 4.349 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000217381664 1048344137 /nfs/dbraw/zinc/34/41/37/1048344137.db2.gz XPOQBEJQJSFAPD-NSHDSACASA-N 1 2 349.774 4.349 20 5 EIBDLO Cc1cnc(Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)c([N+](=O)[O-])c1 ZINC001185922864 1050194772 /nfs/dbraw/zinc/19/47/72/1050194772.db2.gz PKEIUQQUBSSRQC-AWEZNQCLSA-N 1 2 341.415 4.124 20 5 EIBDLO O=[N+]([O-])c1ccc(N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c(Cl)c1 ZINC001187429460 1050548192 /nfs/dbraw/zinc/54/81/92/1050548192.db2.gz BEUDTNZUEZYRFL-KRWDZBQOSA-N 1 2 342.786 4.298 20 5 EIBDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000182237417 1050557908 /nfs/dbraw/zinc/55/79/08/1050557908.db2.gz PMUKZODHKJHZBJ-QGZVFWFLSA-N 1 2 331.803 4.289 20 5 EIBDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000182237417 1050557921 /nfs/dbraw/zinc/55/79/21/1050557921.db2.gz PMUKZODHKJHZBJ-QGZVFWFLSA-N 1 2 331.803 4.289 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccsc1 ZINC000619782604 1050900982 /nfs/dbraw/zinc/90/09/82/1050900982.db2.gz GAOHZRWBQSYHAG-MNOVXSKESA-N 1 2 344.396 4.118 20 5 EIBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC001183527835 1051854305 /nfs/dbraw/zinc/85/43/05/1051854305.db2.gz WKMXSECJTRIBBA-QPEQYQDCSA-N 1 2 344.361 4.335 20 5 EIBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001183527835 1051854311 /nfs/dbraw/zinc/85/43/11/1051854311.db2.gz WKMXSECJTRIBBA-QPEQYQDCSA-N 1 2 344.361 4.335 20 5 EIBDLO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000184343004 1051911013 /nfs/dbraw/zinc/91/10/13/1051911013.db2.gz RRFHDNFYLVZLJM-LBPRGKRZSA-N 1 2 325.821 4.254 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)Nc1ccc([NH+]2CCCC2)cc1 ZINC000850448570 1053223486 /nfs/dbraw/zinc/22/34/86/1053223486.db2.gz BQEGGAHGVWSKTB-AWEZNQCLSA-N 1 2 341.411 4.377 20 5 EIBDLO C[C@@H]1CSCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001198517809 1054182287 /nfs/dbraw/zinc/18/22/87/1054182287.db2.gz ROQUIYZHTAZVSH-SECBINFHSA-N 1 2 335.256 4.229 20 5 EIBDLO C[C@@H]1CSCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001198517809 1054182292 /nfs/dbraw/zinc/18/22/92/1054182292.db2.gz ROQUIYZHTAZVSH-SECBINFHSA-N 1 2 335.256 4.229 20 5 EIBDLO COc1ccc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c(OC)c1 ZINC000872090288 1054385604 /nfs/dbraw/zinc/38/56/04/1054385604.db2.gz PHVPWYBWIDUKGP-RYUDHWBXSA-N 1 2 348.374 4.163 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000533079228 1032479925 /nfs/dbraw/zinc/47/99/25/1032479925.db2.gz MWPUAHVRXLOUQE-QGZVFWFLSA-N 1 2 337.379 4.463 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000533079228 1032479941 /nfs/dbraw/zinc/47/99/41/1032479941.db2.gz MWPUAHVRXLOUQE-QGZVFWFLSA-N 1 2 337.379 4.463 20 5 EIBDLO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1Cl ZINC000083128263 1020201275 /nfs/dbraw/zinc/20/12/75/1020201275.db2.gz CINFIKCRYIDIGJ-JTQLQIEISA-N 1 2 331.759 4.240 20 5 EIBDLO CCSc1ccc([C@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000584543119 1022096310 /nfs/dbraw/zinc/09/63/10/1022096310.db2.gz WCIILIVGOMTESW-LBPRGKRZSA-N 1 2 332.425 4.263 20 5 EIBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1ncc(-c2ccccc2)o1 ZINC000376636354 1023246430 /nfs/dbraw/zinc/24/64/30/1023246430.db2.gz HEYOOPLQXYVDDV-LBPRGKRZSA-N 1 2 341.342 4.240 20 5 EIBDLO O=[N+]([O-])c1ccc(Oc2cccc(-n3cc[nH+]c3)c2)c2ncccc12 ZINC000092656021 1023511619 /nfs/dbraw/zinc/51/16/19/1023511619.db2.gz ARZKLAXRNMXLNB-UHFFFAOYSA-N 1 2 332.319 4.121 20 5 EIBDLO COc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC000106466071 1023948296 /nfs/dbraw/zinc/94/82/96/1023948296.db2.gz CQNIDHIBDXQJCM-LJQANCHMSA-N 1 2 338.363 4.076 20 5 EIBDLO CC[C@@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000430762543 1024016814 /nfs/dbraw/zinc/01/68/14/1024016814.db2.gz OMCVWOTUIMPLFD-CQSZACIVSA-N 1 2 342.292 4.392 20 5 EIBDLO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000276820449 1024348689 /nfs/dbraw/zinc/34/86/89/1024348689.db2.gz ANKSNYPEENNBCX-HUBLWGQQSA-N 1 2 331.420 4.028 20 5 EIBDLO CCOc1cc(C[NH2+][C@@H](C)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000276872715 1024617918 /nfs/dbraw/zinc/61/79/18/1024617918.db2.gz HVEOUIALDULSHY-NSHDSACASA-N 1 2 336.338 4.123 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCc1cn2c([nH+]1)CCCC2 ZINC000342090099 1025148334 /nfs/dbraw/zinc/14/83/34/1025148334.db2.gz DKAYQWICFUSYPQ-UHFFFAOYSA-N 1 2 341.198 4.047 20 5 EIBDLO Cc1c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000303863426 1025588198 /nfs/dbraw/zinc/58/81/98/1025588198.db2.gz GWUIOVYWHNMKAC-BFUOFWGJSA-N 1 2 344.386 4.004 20 5 EIBDLO Cc1c(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000303863426 1025588223 /nfs/dbraw/zinc/58/82/23/1025588223.db2.gz GWUIOVYWHNMKAC-BFUOFWGJSA-N 1 2 344.386 4.004 20 5 EIBDLO CC(C)[N@H+](Cc1nc(C2CC2)cs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000342689264 1026851250 /nfs/dbraw/zinc/85/12/50/1026851250.db2.gz DDINTPFHOOCOHM-UHFFFAOYSA-N 1 2 331.441 4.339 20 5 EIBDLO CC(C)[N@@H+](Cc1nc(C2CC2)cs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000342689264 1026851252 /nfs/dbraw/zinc/85/12/52/1026851252.db2.gz DDINTPFHOOCOHM-UHFFFAOYSA-N 1 2 331.441 4.339 20 5 EIBDLO CC[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1cccc([N+](=O)[O-])c1 ZINC000612422611 1027539719 /nfs/dbraw/zinc/53/97/19/1027539719.db2.gz HJOPJUBLRIEHSW-LSDHHAIUSA-N 1 2 334.322 4.047 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346967087 1028832782 /nfs/dbraw/zinc/83/27/82/1028832782.db2.gz DEAOAQFPDIHNOX-SFHVURJKSA-N 1 2 341.411 4.114 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346967087 1028832784 /nfs/dbraw/zinc/83/27/84/1028832784.db2.gz DEAOAQFPDIHNOX-SFHVURJKSA-N 1 2 341.411 4.114 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1[N+](=O)[O-] ZINC000186053222 1029262872 /nfs/dbraw/zinc/26/28/72/1029262872.db2.gz HHSAYISBNMHSJX-OAHLLOKOSA-N 1 2 348.406 4.211 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000531707292 1031490956 /nfs/dbraw/zinc/49/09/56/1031490956.db2.gz IOZQGUMQDGFSOD-CYBMUJFWSA-N 1 2 336.395 4.006 20 5 EIBDLO CC(C)c1nnc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000433285497 1034187107 /nfs/dbraw/zinc/18/71/07/1034187107.db2.gz IDFAHKJWYGPKTE-AWEZNQCLSA-N 1 2 346.456 4.082 20 5 EIBDLO CC(C)([NH2+]Cc1ncc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1 ZINC000433335613 1034242295 /nfs/dbraw/zinc/24/22/95/1034242295.db2.gz MGUJQRATOBCZQD-UHFFFAOYSA-N 1 2 345.346 4.095 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000595012071 1035504436 /nfs/dbraw/zinc/50/44/36/1035504436.db2.gz NAZDSJRXDTZXNV-NSHDSACASA-N 1 2 349.456 4.208 20 5 EIBDLO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595027683 1035559505 /nfs/dbraw/zinc/55/95/05/1035559505.db2.gz TVTIIVDTOGQCTL-VXGBXAGGSA-N 1 2 348.374 4.163 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000587993701 1036174187 /nfs/dbraw/zinc/17/41/87/1036174187.db2.gz DAIYRBHBSLOUBL-UHFFFAOYSA-N 1 2 341.198 4.009 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000485793456 1036265345 /nfs/dbraw/zinc/26/53/45/1036265345.db2.gz OYMSYEYHJUSOBA-IFXJQAMLSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000485793456 1036265364 /nfs/dbraw/zinc/26/53/64/1036265364.db2.gz OYMSYEYHJUSOBA-IFXJQAMLSA-N 1 2 344.386 4.177 20 5 EIBDLO COCc1cc[nH+]c(N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000593725466 1036940504 /nfs/dbraw/zinc/94/05/04/1036940504.db2.gz LZWVUTLUQXRCAA-QGZVFWFLSA-N 1 2 327.384 4.016 20 5 EIBDLO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000599629130 1037100862 /nfs/dbraw/zinc/10/08/62/1037100862.db2.gz XAALBDXHAFUOCA-VIFPVBQESA-N 1 2 338.276 4.233 20 5 EIBDLO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000599629130 1037100868 /nfs/dbraw/zinc/10/08/68/1037100868.db2.gz XAALBDXHAFUOCA-VIFPVBQESA-N 1 2 338.276 4.233 20 5 EIBDLO COc1cc(C[NH2+]C2(c3c(F)cccc3F)CCC2)ccc1[N+](=O)[O-] ZINC000599702745 1037127838 /nfs/dbraw/zinc/12/78/38/1037127838.db2.gz YTODQBZFNCETFG-UHFFFAOYSA-N 1 2 348.349 4.051 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000592137630 1037750071 /nfs/dbraw/zinc/75/00/71/1037750071.db2.gz JQYJFFCFURXNQL-UHFFFAOYSA-N 1 2 332.787 4.036 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000063254615 1038135398 /nfs/dbraw/zinc/13/53/98/1038135398.db2.gz MYERAZLLUXQQKW-UHFFFAOYSA-N 1 2 346.749 4.185 20 5 EIBDLO Cc1ccccc1[C@H]([C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000443218873 1040801719 /nfs/dbraw/zinc/80/17/19/1040801719.db2.gz UOECOSKSRIFQRM-FTRWYGJKSA-N 1 2 341.455 4.245 20 5 EIBDLO COc1cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])cc1F ZINC000463496317 1041601317 /nfs/dbraw/zinc/60/13/17/1041601317.db2.gz QSVPJNHBRBTSEL-INIZCTEOSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c([N+](=O)[O-])cc1F ZINC000463496317 1041601320 /nfs/dbraw/zinc/60/13/20/1041601320.db2.gz QSVPJNHBRBTSEL-INIZCTEOSA-N 1 2 348.349 4.219 20 5 EIBDLO Cc1noc(C[NH2+][C@@H](c2oc3ccccc3c2C)C(C)C)c1[N+](=O)[O-] ZINC000595413884 1041619827 /nfs/dbraw/zinc/61/98/27/1041619827.db2.gz AGJSCDFPPCJPOK-MRXNPFEDSA-N 1 2 343.383 4.433 20 5 EIBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000549928001 1042492166 /nfs/dbraw/zinc/49/21/66/1042492166.db2.gz JTNWQXLPTCPZGR-AWEZNQCLSA-N 1 2 349.390 4.213 20 5 EIBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2ncsc2c1 ZINC000509157564 1043095917 /nfs/dbraw/zinc/09/59/17/1043095917.db2.gz VCRMOQRPBSPZFE-SECBINFHSA-N 1 2 349.362 4.334 20 5 EIBDLO CC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)cc1F ZINC000351753854 1043359526 /nfs/dbraw/zinc/35/95/26/1043359526.db2.gz XXPUWYBLPZEDNM-MRXNPFEDSA-N 1 2 342.292 4.392 20 5 EIBDLO Cc1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)CC3 ZINC000609196022 1043462064 /nfs/dbraw/zinc/46/20/64/1043462064.db2.gz SCCRMHWAYWFOHM-UHFFFAOYSA-N 1 2 335.407 4.251 20 5 EIBDLO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)CC3 ZINC000609196022 1043462072 /nfs/dbraw/zinc/46/20/72/1043462072.db2.gz SCCRMHWAYWFOHM-UHFFFAOYSA-N 1 2 335.407 4.251 20 5 EIBDLO Cc1c(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)o2)cccc1[N+](=O)[O-] ZINC000184879276 1043740963 /nfs/dbraw/zinc/74/09/63/1043740963.db2.gz ABVDIAIACTYTCI-AWEZNQCLSA-N 1 2 337.379 4.409 20 5 EIBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2cccs2)no1 ZINC000079309264 1043884671 /nfs/dbraw/zinc/88/46/71/1043884671.db2.gz MWQXAFLATZCLSQ-QWRGUYRKSA-N 1 2 344.396 4.118 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(Oc3ccccc3)CC2)c1 ZINC000735490980 1044826646 /nfs/dbraw/zinc/82/66/46/1044826646.db2.gz YIJHEDXVWHYPHJ-UHFFFAOYSA-N 1 2 346.814 4.292 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2coc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000155019999 1044857526 /nfs/dbraw/zinc/85/75/26/1044857526.db2.gz IOVKEVLBFXOZHQ-GFCCVEGCSA-N 1 2 343.408 4.471 20 5 EIBDLO Cc1cc(C)c(NC(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000455469675 1045668857 /nfs/dbraw/zinc/66/88/57/1045668857.db2.gz ADLIJBIOBKEAEF-CYBMUJFWSA-N 1 2 342.399 4.106 20 5 EIBDLO Cc1cc(NCc2cc[nH+]c(N3CCCCCC3)c2)ccc1[N+](=O)[O-] ZINC000301184712 1046258056 /nfs/dbraw/zinc/25/80/56/1046258056.db2.gz JKHNIFURKHQUKX-UHFFFAOYSA-N 1 2 340.427 4.291 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnc(C3CC3)s2)C2CC2)cc1 ZINC000154272119 1046670959 /nfs/dbraw/zinc/67/09/59/1046670959.db2.gz WSDRYNNYKNQVHU-UHFFFAOYSA-N 1 2 329.425 4.093 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnc(C3CC3)s2)C2CC2)cc1 ZINC000154272119 1046670990 /nfs/dbraw/zinc/67/09/90/1046670990.db2.gz WSDRYNNYKNQVHU-UHFFFAOYSA-N 1 2 329.425 4.093 20 5 EIBDLO C[C@H]([NH2+][C@@H]1COCc2cccc(Cl)c21)c1cccc([N+](=O)[O-])c1 ZINC000788640988 1047256916 /nfs/dbraw/zinc/25/69/16/1047256916.db2.gz HTBTUWSXAVFIFD-MEDUHNTESA-N 1 2 332.787 4.170 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000078269118 1047278761 /nfs/dbraw/zinc/27/87/61/1047278761.db2.gz MWMZGJOAPLUIJO-UHFFFAOYSA-N 1 2 342.786 4.105 20 5 EIBDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1csc([N+](=O)[O-])c1)CCC2 ZINC000152551023 1047312791 /nfs/dbraw/zinc/31/27/91/1047312791.db2.gz ZJECVQDPUOXYLJ-GFCCVEGCSA-N 1 2 337.470 4.185 20 5 EIBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1csc([N+](=O)[O-])c1)CCC2 ZINC000152551023 1047312800 /nfs/dbraw/zinc/31/28/00/1047312800.db2.gz ZJECVQDPUOXYLJ-GFCCVEGCSA-N 1 2 337.470 4.185 20 5 EIBDLO Cc1nc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])sc1C ZINC000811481760 1049077282 /nfs/dbraw/zinc/07/72/82/1049077282.db2.gz LZEDWWPDRPDFKN-UHFFFAOYSA-N 1 2 346.239 4.265 20 5 EIBDLO COc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c(F)c1 ZINC000773040147 1049546702 /nfs/dbraw/zinc/54/67/02/1049546702.db2.gz KLRRQHNJHSRYRE-JTQLQIEISA-N 1 2 338.766 4.247 20 5 EIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773670951 1050231364 /nfs/dbraw/zinc/23/13/64/1050231364.db2.gz ZYCOKISREKSICG-UHFFFAOYSA-N 1 2 347.777 4.072 20 5 EIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773670951 1050231373 /nfs/dbraw/zinc/23/13/73/1050231373.db2.gz ZYCOKISREKSICG-UHFFFAOYSA-N 1 2 347.777 4.072 20 5 EIBDLO CCO[C@H](C)c1nc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000181837281 1050352994 /nfs/dbraw/zinc/35/29/94/1050352994.db2.gz FJEPUHFNEJTQNJ-CHWSQXEVSA-N 1 2 349.456 4.308 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183743450 1051351313 /nfs/dbraw/zinc/35/13/13/1051351313.db2.gz LPAWDIJMYAPDBH-IBGZPJMESA-N 1 2 337.354 4.008 20 5 EIBDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775458065 1051466393 /nfs/dbraw/zinc/46/63/93/1051466393.db2.gz HWVDJJIYXRVAIJ-JTQLQIEISA-N 1 2 338.766 4.247 20 5 EIBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC001194348409 1052129484 /nfs/dbraw/zinc/12/94/84/1052129484.db2.gz KAZWVHGMOUVJJJ-MRXNPFEDSA-N 1 2 331.803 4.370 20 5 EIBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC001194348409 1052129492 /nfs/dbraw/zinc/12/94/92/1052129492.db2.gz KAZWVHGMOUVJJJ-MRXNPFEDSA-N 1 2 331.803 4.370 20 5 EIBDLO Cc1ccnc(Nc2ccc([NH+]3CCC(C)CC3)cc2)c1[N+](=O)[O-] ZINC001185461347 1052245095 /nfs/dbraw/zinc/24/50/95/1052245095.db2.gz YCZRDQUSBWIGTK-UHFFFAOYSA-N 1 2 326.400 4.278 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1CNc1cccc(-n2cc[nH+]c2)c1 ZINC000864004312 1053123756 /nfs/dbraw/zinc/12/37/56/1053123756.db2.gz IDYUUTCHQUUUAI-UHFFFAOYSA-N 1 2 328.759 4.046 20 5 EIBDLO Cc1ccc(C)c(C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC001198467930 1054154235 /nfs/dbraw/zinc/15/42/35/1054154235.db2.gz QPPXGPMCJZIIAR-UHFFFAOYSA-N 1 2 340.423 4.297 20 5 EIBDLO COc1ccccc1C1([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872082374 1054382581 /nfs/dbraw/zinc/38/25/81/1054382581.db2.gz VWVXGCRZXDIQQO-GFCCVEGCSA-N 1 2 330.359 4.082 20 5 EIBDLO Cc1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)nc2ccccc12 ZINC000532218696 1032097253 /nfs/dbraw/zinc/09/72/53/1032097253.db2.gz LKDWBAFXCSQLTJ-CYBMUJFWSA-N 1 2 336.395 4.006 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)c1cccc([N+](=O)[O-])c1 ZINC000274572040 1018814333 /nfs/dbraw/zinc/81/43/33/1018814333.db2.gz HLSHBEGDKJOFNA-BDAKNGLRSA-N 1 2 345.346 4.482 20 5 EIBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1Cl ZINC000083128264 1020201530 /nfs/dbraw/zinc/20/15/30/1020201530.db2.gz CINFIKCRYIDIGJ-SNVBAGLBSA-N 1 2 331.759 4.240 20 5 EIBDLO CC[C@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000173503025 1021890213 /nfs/dbraw/zinc/89/02/13/1021890213.db2.gz XFDVMPHLEWKCKH-AWEZNQCLSA-N 1 2 325.821 4.120 20 5 EIBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000582474751 1021948359 /nfs/dbraw/zinc/94/83/59/1021948359.db2.gz BHJUZIYXWOKBKB-NSHDSACASA-N 1 2 328.393 4.366 20 5 EIBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1F ZINC000582626208 1022151115 /nfs/dbraw/zinc/15/11/15/1022151115.db2.gz MNYUCILCSGKORT-VIFPVBQESA-N 1 2 326.730 4.377 20 5 EIBDLO C[C@H]([NH2+]Cc1ncc(-c2cccs2)o1)c1cccc([N+](=O)[O-])c1 ZINC000180445735 1022668400 /nfs/dbraw/zinc/66/84/00/1022668400.db2.gz HKHDLWAVRIDGGW-NSHDSACASA-N 1 2 329.381 4.162 20 5 EIBDLO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cc2ccccc2o1 ZINC000182629966 1022819945 /nfs/dbraw/zinc/81/99/45/1022819945.db2.gz XROLWNIFXHVMPI-LLVKDONJSA-N 1 2 337.335 4.333 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(/C(Cl)=C\c3cccc4[nH+]ccn43)nc2c1 ZINC000255318172 1023353209 /nfs/dbraw/zinc/35/32/09/1023353209.db2.gz HTSRIRVDEXHTCB-XYOKQWHBSA-N 1 2 340.726 4.121 20 5 EIBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000610575360 1023959455 /nfs/dbraw/zinc/95/94/55/1023959455.db2.gz GAFFHALHCDFCEN-JTQLQIEISA-N 1 2 340.301 4.170 20 5 EIBDLO CC[C@@H]([NH2+][C@@H](C)c1nnc([C@@H](C)CC)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000276820453 1024349003 /nfs/dbraw/zinc/34/90/03/1024349003.db2.gz ANKSNYPEENNBCX-SLEUVZQESA-N 1 2 331.420 4.028 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000104674920 1024392983 /nfs/dbraw/zinc/39/29/83/1024392983.db2.gz ISKBNLXITWJKKX-KRWDZBQOSA-N 1 2 329.400 4.047 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000104674920 1024393000 /nfs/dbraw/zinc/39/30/00/1024393000.db2.gz ISKBNLXITWJKKX-KRWDZBQOSA-N 1 2 329.400 4.047 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1 ZINC000178384555 1024530082 /nfs/dbraw/zinc/53/00/82/1024530082.db2.gz KUXYZRGKTWHOPX-OLZOCXBDSA-N 1 2 338.367 4.057 20 5 EIBDLO CCOc1cc(C[NH2+][C@H](C)c2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000276872711 1024616916 /nfs/dbraw/zinc/61/69/16/1024616916.db2.gz HVEOUIALDULSHY-LLVKDONJSA-N 1 2 336.338 4.123 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432236626 1024643619 /nfs/dbraw/zinc/64/36/19/1024643619.db2.gz VYOXBVNGIPBSJL-UHFFFAOYSA-N 1 2 329.158 4.331 20 5 EIBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)cc[nH+]1 ZINC000126053804 1026508563 /nfs/dbraw/zinc/50/85/63/1026508563.db2.gz KELUQAXDGPUHRM-UHFFFAOYSA-N 1 2 345.424 4.299 20 5 EIBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611800187 1029524199 /nfs/dbraw/zinc/52/41/99/1029524199.db2.gz UPOPRVLCECCZBK-KOLCDFICSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611800187 1029524204 /nfs/dbraw/zinc/52/42/04/1029524204.db2.gz UPOPRVLCECCZBK-KOLCDFICSA-N 1 2 336.741 4.411 20 5 EIBDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000441444259 1030098235 /nfs/dbraw/zinc/09/82/35/1030098235.db2.gz GLPOWXCNSBCRHZ-JXFKEZNVSA-N 1 2 340.423 4.174 20 5 EIBDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000441444259 1030098252 /nfs/dbraw/zinc/09/82/52/1030098252.db2.gz GLPOWXCNSBCRHZ-JXFKEZNVSA-N 1 2 340.423 4.174 20 5 EIBDLO Cc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)co2)cc1 ZINC000532531794 1031255604 /nfs/dbraw/zinc/25/56/04/1031255604.db2.gz KEYYMBSUCHNEGO-AWEZNQCLSA-N 1 2 337.379 4.409 20 5 EIBDLO CCC[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1cccc([N+](=O)[O-])c1 ZINC000612422668 1031503793 /nfs/dbraw/zinc/50/37/93/1031503793.db2.gz SJOVVLHVHMMNLG-HOTGVXAUSA-N 1 2 348.349 4.438 20 5 EIBDLO CC1(C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)Cc2ccccc21 ZINC000536238218 1033357604 /nfs/dbraw/zinc/35/76/04/1033357604.db2.gz IOVQLSRFBHRZNS-UHFFFAOYSA-N 1 2 337.379 4.029 20 5 EIBDLO CC1(C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)Cc2ccccc21 ZINC000536238218 1033357610 /nfs/dbraw/zinc/35/76/10/1033357610.db2.gz IOVQLSRFBHRZNS-UHFFFAOYSA-N 1 2 337.379 4.029 20 5 EIBDLO Nc1cccc2c1cc[nH+]c2N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000596253762 1035840565 /nfs/dbraw/zinc/84/05/65/1035840565.db2.gz DNCQVKDCEHBJGS-HNNXBMFYSA-N 1 2 348.406 4.109 20 5 EIBDLO CCOc1ccc([C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000586768726 1035841208 /nfs/dbraw/zinc/84/12/08/1035841208.db2.gz HGIVRVUOJLAHEA-NSHDSACASA-N 1 2 336.338 4.123 20 5 EIBDLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000588216137 1036806502 /nfs/dbraw/zinc/80/65/02/1036806502.db2.gz VHRFXJNKOFEBSV-MRXNPFEDSA-N 1 2 332.375 4.326 20 5 EIBDLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000588216137 1036806508 /nfs/dbraw/zinc/80/65/08/1036806508.db2.gz VHRFXJNKOFEBSV-MRXNPFEDSA-N 1 2 332.375 4.326 20 5 EIBDLO CC(C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000598986286 1036831733 /nfs/dbraw/zinc/83/17/33/1036831733.db2.gz HDQKDLXFDSERAH-UHFFFAOYSA-N 1 2 333.438 4.291 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000603856732 1037050388 /nfs/dbraw/zinc/05/03/88/1037050388.db2.gz VAYIKPSLZSYLOA-LBPRGKRZSA-N 1 2 334.803 4.450 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000603856732 1037050403 /nfs/dbraw/zinc/05/04/03/1037050403.db2.gz VAYIKPSLZSYLOA-LBPRGKRZSA-N 1 2 334.803 4.450 20 5 EIBDLO Cc1noc(C[N@H+]2CC=C(c3ccc(Cl)cc3C)CC2)c1[N+](=O)[O-] ZINC000599619702 1037092241 /nfs/dbraw/zinc/09/22/41/1037092241.db2.gz OBZAUGDWDDQZBK-UHFFFAOYSA-N 1 2 347.802 4.142 20 5 EIBDLO Cc1noc(C[N@@H+]2CC=C(c3ccc(Cl)cc3C)CC2)c1[N+](=O)[O-] ZINC000599619702 1037092254 /nfs/dbraw/zinc/09/22/54/1037092254.db2.gz OBZAUGDWDDQZBK-UHFFFAOYSA-N 1 2 347.802 4.142 20 5 EIBDLO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000599629129 1037100791 /nfs/dbraw/zinc/10/07/91/1037100791.db2.gz XAALBDXHAFUOCA-SECBINFHSA-N 1 2 338.276 4.233 20 5 EIBDLO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000599629129 1037100795 /nfs/dbraw/zinc/10/07/95/1037100795.db2.gz XAALBDXHAFUOCA-SECBINFHSA-N 1 2 338.276 4.233 20 5 EIBDLO CCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)c1ncccc1Cl ZINC000924956305 1037796381 /nfs/dbraw/zinc/79/63/81/1037796381.db2.gz YITSDXKOPUXVDE-HNNXBMFYSA-N 1 2 349.818 4.283 20 5 EIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000489276935 1037922545 /nfs/dbraw/zinc/92/25/45/1037922545.db2.gz KXUZELAWSCNIEN-UGSOOPFHSA-N 1 2 346.814 4.383 20 5 EIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000489276935 1037922563 /nfs/dbraw/zinc/92/25/63/1037922563.db2.gz KXUZELAWSCNIEN-UGSOOPFHSA-N 1 2 346.814 4.383 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000490081974 1038334515 /nfs/dbraw/zinc/33/45/15/1038334515.db2.gz ANRQRKWTSZFGGM-BDAKNGLRSA-N 1 2 345.346 4.482 20 5 EIBDLO C[C@@H]1C[C@@H]1[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000555422310 1039177078 /nfs/dbraw/zinc/17/70/78/1039177078.db2.gz UARWOQLKZFFFJV-VOZBZGINSA-N 1 2 346.814 4.441 20 5 EIBDLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000481723818 1039786338 /nfs/dbraw/zinc/78/63/38/1039786338.db2.gz BHWCVIPBDBKKCH-SKDRFNHKSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000481723818 1039786349 /nfs/dbraw/zinc/78/63/49/1039786349.db2.gz BHWCVIPBDBKKCH-SKDRFNHKSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000553911029 1040626813 /nfs/dbraw/zinc/62/68/13/1040626813.db2.gz XXHQTPIQDUFOBP-WBMJQRKESA-N 1 2 331.803 4.226 20 5 EIBDLO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000553911029 1040626823 /nfs/dbraw/zinc/62/68/23/1040626823.db2.gz XXHQTPIQDUFOBP-WBMJQRKESA-N 1 2 331.803 4.226 20 5 EIBDLO O=[N+]([O-])c1c(Nc2ccc(N3CCCCC3)[nH+]c2)ccc2ncccc21 ZINC000480381212 1041254898 /nfs/dbraw/zinc/25/48/98/1041254898.db2.gz YUCUJKXBKPOQJS-UHFFFAOYSA-N 1 2 349.394 4.272 20 5 EIBDLO COc1cc(C[N@H+](Cc2cccc(F)c2)C2CC2)c([N+](=O)[O-])cc1F ZINC000463500271 1041595285 /nfs/dbraw/zinc/59/52/85/1041595285.db2.gz KZKAANSBJNYKDU-UHFFFAOYSA-N 1 2 348.349 4.046 20 5 EIBDLO COc1cc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c([N+](=O)[O-])cc1F ZINC000463500271 1041595291 /nfs/dbraw/zinc/59/52/91/1041595291.db2.gz KZKAANSBJNYKDU-UHFFFAOYSA-N 1 2 348.349 4.046 20 5 EIBDLO CC(C)COC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000541629506 1042045339 /nfs/dbraw/zinc/04/53/39/1042045339.db2.gz ZAMSFGYFFLJYLX-ZBFHGGJFSA-N 1 2 332.400 4.252 20 5 EIBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1cc(F)c(F)c(F)c1 ZINC000761528252 1042875804 /nfs/dbraw/zinc/87/58/04/1042875804.db2.gz WUBLRHFDFHDQFU-UHFFFAOYSA-N 1 2 344.720 4.298 20 5 EIBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1cc(F)c(F)c(F)c1 ZINC000761528252 1042875806 /nfs/dbraw/zinc/87/58/06/1042875806.db2.gz WUBLRHFDFHDQFU-UHFFFAOYSA-N 1 2 344.720 4.298 20 5 EIBDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000152529229 1042890635 /nfs/dbraw/zinc/89/06/35/1042890635.db2.gz FRXDGIKLSGWCPJ-OAHLLOKOSA-N 1 2 349.431 4.262 20 5 EIBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F)CCC2 ZINC000152529229 1042890636 /nfs/dbraw/zinc/89/06/36/1042890636.db2.gz FRXDGIKLSGWCPJ-OAHLLOKOSA-N 1 2 349.431 4.262 20 5 EIBDLO COc1ccc([C@@H](C)[N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000494146430 1043022537 /nfs/dbraw/zinc/02/25/37/1043022537.db2.gz SWRHTFPGHXRWRJ-GFCCVEGCSA-N 1 2 334.803 4.450 20 5 EIBDLO COc1ccc([C@@H](C)[N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000494146430 1043022545 /nfs/dbraw/zinc/02/25/45/1043022545.db2.gz SWRHTFPGHXRWRJ-GFCCVEGCSA-N 1 2 334.803 4.450 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ncccc3Cl)CC2)c(F)c1 ZINC000429214346 1043349153 /nfs/dbraw/zinc/34/91/53/1043349153.db2.gz XLRNBDSRXNGHRX-UHFFFAOYSA-N 1 2 349.793 4.162 20 5 EIBDLO Cc1csc(C(C)(C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000173427763 1043965362 /nfs/dbraw/zinc/96/53/62/1043965362.db2.gz ONNNNNXHRSZQHY-UHFFFAOYSA-N 1 2 325.821 4.038 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2nc3ccc(F)cc3o2)C2CC2)c1 ZINC000153322307 1044704555 /nfs/dbraw/zinc/70/45/55/1044704555.db2.gz COLKQBPRFDECOB-UHFFFAOYSA-N 1 2 341.342 4.040 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2nc3ccc(F)cc3o2)C2CC2)c1 ZINC000153322307 1044704568 /nfs/dbraw/zinc/70/45/68/1044704568.db2.gz COLKQBPRFDECOB-UHFFFAOYSA-N 1 2 341.342 4.040 20 5 EIBDLO CCc1ccc([C@@H]([NH2+]C2CC(F)(F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000429462841 1045164456 /nfs/dbraw/zinc/16/44/56/1045164456.db2.gz DLWOWVIJRUBFTB-INIZCTEOSA-N 1 2 336.338 4.227 20 5 EIBDLO C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001170150977 1045714621 /nfs/dbraw/zinc/71/46/21/1045714621.db2.gz UGTHLBKUBLEBJP-KDOFPFPSSA-N 1 2 326.396 4.274 20 5 EIBDLO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001170150977 1045714632 /nfs/dbraw/zinc/71/46/32/1045714632.db2.gz UGTHLBKUBLEBJP-KDOFPFPSSA-N 1 2 326.396 4.274 20 5 EIBDLO C[N@H+](Cc1ccccc1C(F)(F)F)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917008114 1046556511 /nfs/dbraw/zinc/55/65/11/1046556511.db2.gz LCWSPWCGBHZDNN-UHFFFAOYSA-N 1 2 342.292 4.385 20 5 EIBDLO C[N@@H+](Cc1ccccc1C(F)(F)F)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917008114 1046556528 /nfs/dbraw/zinc/55/65/28/1046556528.db2.gz LCWSPWCGBHZDNN-UHFFFAOYSA-N 1 2 342.292 4.385 20 5 EIBDLO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000536661133 1046626293 /nfs/dbraw/zinc/62/62/93/1046626293.db2.gz JQSCYLJETKWLMI-KUHUBIRLSA-N 1 2 344.386 4.004 20 5 EIBDLO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)cc1[N+](=O)[O-] ZINC000536661133 1046626300 /nfs/dbraw/zinc/62/63/00/1046626300.db2.gz JQSCYLJETKWLMI-KUHUBIRLSA-N 1 2 344.386 4.004 20 5 EIBDLO CC(C)c1ncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000154302551 1046791415 /nfs/dbraw/zinc/79/14/15/1046791415.db2.gz JSSBHHSEWNYLSB-UHFFFAOYSA-N 1 2 331.441 4.339 20 5 EIBDLO CC(C)c1ncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000154302551 1046791435 /nfs/dbraw/zinc/79/14/35/1046791435.db2.gz JSSBHHSEWNYLSB-UHFFFAOYSA-N 1 2 331.441 4.339 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1F ZINC000788482460 1047213666 /nfs/dbraw/zinc/21/36/66/1047213666.db2.gz WLBHHSRCKNIROP-KRWDZBQOSA-N 1 2 332.400 4.024 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)cc1F ZINC000788482460 1047213681 /nfs/dbraw/zinc/21/36/81/1047213681.db2.gz WLBHHSRCKNIROP-KRWDZBQOSA-N 1 2 332.400 4.024 20 5 EIBDLO C[C@@H]([NH2+][C@@H]1COCc2cccc(Cl)c21)c1cccc([N+](=O)[O-])c1 ZINC000788640984 1047257752 /nfs/dbraw/zinc/25/77/52/1047257752.db2.gz HTBTUWSXAVFIFD-BDJLRTHQSA-N 1 2 332.787 4.170 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000155025938 1047883589 /nfs/dbraw/zinc/88/35/89/1047883589.db2.gz NBMLOCWXSKGNGD-GFCCVEGCSA-N 1 2 343.408 4.471 20 5 EIBDLO C[C@@H]1SCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000609829450 1049347962 /nfs/dbraw/zinc/34/79/62/1049347962.db2.gz PCPRWNDDAMJZLU-BLLLJJGKSA-N 1 2 334.466 4.335 20 5 EIBDLO C[C@@H]1SCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000609829450 1049347969 /nfs/dbraw/zinc/34/79/69/1049347969.db2.gz PCPRWNDDAMJZLU-BLLLJJGKSA-N 1 2 334.466 4.335 20 5 EIBDLO COc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c(F)c1 ZINC000773040149 1049547368 /nfs/dbraw/zinc/54/73/68/1049547368.db2.gz KLRRQHNJHSRYRE-SNVBAGLBSA-N 1 2 338.766 4.247 20 5 EIBDLO C[C@@H](CSc1ccccc1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC001171773510 1049795150 /nfs/dbraw/zinc/79/51/50/1049795150.db2.gz XNHDBYYQBMBDGH-ZDUSSCGKSA-N 1 2 334.416 4.347 20 5 EIBDLO C[C@@H](CSc1ccccc1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC001171773510 1049795157 /nfs/dbraw/zinc/79/51/57/1049795157.db2.gz XNHDBYYQBMBDGH-ZDUSSCGKSA-N 1 2 334.416 4.347 20 5 EIBDLO COc1ccc(C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC001171887510 1049816695 /nfs/dbraw/zinc/81/66/95/1049816695.db2.gz HRYJAXAREFDVMR-SFHVURJKSA-N 1 2 342.395 4.314 20 5 EIBDLO COc1ccc(C[N@H+]2CC3(CCCC3)[C@@H]2c2ccco2)cc1[N+](=O)[O-] ZINC001171887510 1049816696 /nfs/dbraw/zinc/81/66/96/1049816696.db2.gz HRYJAXAREFDVMR-SFHVURJKSA-N 1 2 342.395 4.314 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3cccs3)o2)cc1[N+](=O)[O-] ZINC000181837124 1050352810 /nfs/dbraw/zinc/35/28/10/1050352810.db2.gz ZRUCTKVSPJSBJS-GFCCVEGCSA-N 1 2 343.408 4.471 20 5 EIBDLO O=[N+]([O-])c1ccc(N[C@H](Cn2cc[nH+]c2)c2ccccc2)c(Cl)c1 ZINC001187429462 1050548781 /nfs/dbraw/zinc/54/87/81/1050548781.db2.gz BEUDTNZUEZYRFL-QGZVFWFLSA-N 1 2 342.786 4.298 20 5 EIBDLO CC(C)c1[nH]cc(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])[nH+]1 ZINC001187724092 1050610367 /nfs/dbraw/zinc/61/03/67/1050610367.db2.gz DCLKANUBRLNTSV-UHFFFAOYSA-N 1 2 329.187 4.360 20 5 EIBDLO CC(C)c1[nH]c(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])c[nH+]1 ZINC001187724092 1050610369 /nfs/dbraw/zinc/61/03/69/1050610369.db2.gz DCLKANUBRLNTSV-UHFFFAOYSA-N 1 2 329.187 4.360 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)c(F)c1 ZINC001180462307 1051007464 /nfs/dbraw/zinc/00/74/64/1051007464.db2.gz ICNMPKYIQJCQKN-UHFFFAOYSA-N 1 2 330.334 4.162 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c(F)c1 ZINC001180462307 1051007480 /nfs/dbraw/zinc/00/74/80/1051007480.db2.gz ICNMPKYIQJCQKN-UHFFFAOYSA-N 1 2 330.334 4.162 20 5 EIBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)Cc1nc2ccccc2s1 ZINC001180573674 1051026913 /nfs/dbraw/zinc/02/69/13/1051026913.db2.gz AJSSNSBVGDJELW-UHFFFAOYSA-N 1 2 341.436 4.453 20 5 EIBDLO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)Cc1nc2ccccc2s1 ZINC001180573674 1051026924 /nfs/dbraw/zinc/02/69/24/1051026924.db2.gz AJSSNSBVGDJELW-UHFFFAOYSA-N 1 2 341.436 4.453 20 5 EIBDLO Cc1cc(NCc2cc(Br)c([N+](=O)[O-])s2)c[nH+]c1C ZINC001183527864 1051854181 /nfs/dbraw/zinc/85/41/81/1051854181.db2.gz XAJGOPYDAGEJAJ-UHFFFAOYSA-N 1 2 342.218 4.043 20 5 EIBDLO O=[N+]([O-])c1ccc(NCc2cc[nH+]c(N3CCCC3)c2)c(C(F)F)c1 ZINC000865427522 1053500922 /nfs/dbraw/zinc/50/09/22/1053500922.db2.gz UZEIKZSCVBTWIS-UHFFFAOYSA-N 1 2 348.353 4.140 20 5 EIBDLO C[C@H]1CSCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001198517810 1054182105 /nfs/dbraw/zinc/18/21/05/1054182105.db2.gz ROQUIYZHTAZVSH-VIFPVBQESA-N 1 2 335.256 4.229 20 5 EIBDLO C[C@H]1CSCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001198517810 1054182111 /nfs/dbraw/zinc/18/21/11/1054182111.db2.gz ROQUIYZHTAZVSH-VIFPVBQESA-N 1 2 335.256 4.229 20 5 EIBDLO CC(C)COC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000173369639 1054353765 /nfs/dbraw/zinc/35/37/65/1054353765.db2.gz LBSDYYHBUAPOCO-RHSMWYFYSA-N 1 2 332.400 4.252 20 5 EIBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C(F)(F)F)cc1 ZINC000054152845 1055584459 /nfs/dbraw/zinc/58/44/59/1055584459.db2.gz AFNPSHAKLGOZJX-UHFFFAOYSA-N 1 2 330.331 4.307 20 5 EIBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(C(F)(F)F)cc1 ZINC000054152845 1055584470 /nfs/dbraw/zinc/58/44/70/1055584470.db2.gz AFNPSHAKLGOZJX-UHFFFAOYSA-N 1 2 330.331 4.307 20 5 EIBDLO CC(=O)c1ccc(Nc2ccc(NC3CCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000608831140 1019146063 /nfs/dbraw/zinc/14/60/63/1019146063.db2.gz CYIHGUZGAAYRRE-UHFFFAOYSA-N 1 2 340.383 4.291 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000430208450 1019348054 /nfs/dbraw/zinc/34/80/54/1019348054.db2.gz BJZOCQAPSQGRKP-JTQLQIEISA-N 1 2 338.766 4.247 20 5 EIBDLO O=C(C[C@@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000134827069 1020025894 /nfs/dbraw/zinc/02/58/94/1020025894.db2.gz VKXVBXADCFHHTD-HNNXBMFYSA-N 1 2 348.399 4.033 20 5 EIBDLO O=C(C[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000134827069 1020025899 /nfs/dbraw/zinc/02/58/99/1020025899.db2.gz VKXVBXADCFHHTD-HNNXBMFYSA-N 1 2 348.399 4.033 20 5 EIBDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)c1 ZINC000047265229 1021126931 /nfs/dbraw/zinc/12/69/31/1021126931.db2.gz WUCVJSPGZTWLSE-OAHLLOKOSA-N 1 2 348.424 4.011 20 5 EIBDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)c1 ZINC000047265229 1021126937 /nfs/dbraw/zinc/12/69/37/1021126937.db2.gz WUCVJSPGZTWLSE-OAHLLOKOSA-N 1 2 348.424 4.011 20 5 EIBDLO Cc1cccc2[nH+]cc(/C=C\c3ccc4cc([N+](=O)[O-])ccc4n3)n21 ZINC000471475732 1021129705 /nfs/dbraw/zinc/12/97/05/1021129705.db2.gz JZMDVZWVJFBHMZ-FPLPWBNLSA-N 1 2 330.347 4.270 20 5 EIBDLO O=C(C[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000177395748 1022922113 /nfs/dbraw/zinc/92/21/13/1022922113.db2.gz LDRGWLJJDOWEIG-LBPRGKRZSA-N 1 2 348.399 4.033 20 5 EIBDLO O=C(C[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-])c1cccs1 ZINC000177395748 1022922134 /nfs/dbraw/zinc/92/21/34/1022922134.db2.gz LDRGWLJJDOWEIG-LBPRGKRZSA-N 1 2 348.399 4.033 20 5 EIBDLO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000107904494 1023959332 /nfs/dbraw/zinc/95/93/32/1023959332.db2.gz KURWWECRIKMCRE-LLVKDONJSA-N 1 2 347.802 4.057 20 5 EIBDLO C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000430749480 1024005656 /nfs/dbraw/zinc/00/56/56/1024005656.db2.gz VMMKJYXUYDEHMX-QMMMGPOBSA-N 1 2 328.265 4.002 20 5 EIBDLO Cc1cc(C)c(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c[nH+]1 ZINC000396992414 1025323687 /nfs/dbraw/zinc/32/36/87/1025323687.db2.gz VKRCFSRYYXQPCD-UHFFFAOYSA-N 1 2 325.290 4.238 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000550111755 1026141237 /nfs/dbraw/zinc/14/12/37/1026141237.db2.gz AXGHIAULZPWUDU-UGSOOPFHSA-N 1 2 346.814 4.383 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000550111755 1026141240 /nfs/dbraw/zinc/14/12/40/1026141240.db2.gz AXGHIAULZPWUDU-UGSOOPFHSA-N 1 2 346.814 4.383 20 5 EIBDLO Cc1ccc(OC(F)F)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000507114798 1026646888 /nfs/dbraw/zinc/64/68/88/1026646888.db2.gz BSEWTROGXJZLAJ-UHFFFAOYSA-N 1 2 336.338 4.137 20 5 EIBDLO Cc1ccc(OC(F)F)c(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000507114798 1026646894 /nfs/dbraw/zinc/64/68/94/1026646894.db2.gz BSEWTROGXJZLAJ-UHFFFAOYSA-N 1 2 336.338 4.137 20 5 EIBDLO COc1cccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1OC(C)C ZINC000507172318 1026687080 /nfs/dbraw/zinc/68/70/80/1026687080.db2.gz BCCQPKXVBQGUBK-UHFFFAOYSA-N 1 2 344.411 4.023 20 5 EIBDLO COc1cccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1OC(C)C ZINC000507172318 1026687087 /nfs/dbraw/zinc/68/70/87/1026687087.db2.gz BCCQPKXVBQGUBK-UHFFFAOYSA-N 1 2 344.411 4.023 20 5 EIBDLO C[C@@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000178640801 1026968349 /nfs/dbraw/zinc/96/83/49/1026968349.db2.gz KXEOTJAHCUEMND-LLVKDONJSA-N 1 2 329.381 4.162 20 5 EIBDLO C[C@H]([NH2+]Cc1coc(-c2cccs2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000178640786 1026969921 /nfs/dbraw/zinc/96/99/21/1026969921.db2.gz KXEOTJAHCUEMND-NSHDSACASA-N 1 2 329.381 4.162 20 5 EIBDLO Cc1nc(C(C)C)oc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000428297118 1027128202 /nfs/dbraw/zinc/12/82/02/1027128202.db2.gz FCVWAEORWAFRKX-UHFFFAOYSA-N 1 2 329.400 4.179 20 5 EIBDLO Cc1nc(C(C)C)oc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000428297118 1027128208 /nfs/dbraw/zinc/12/82/08/1027128208.db2.gz FCVWAEORWAFRKX-UHFFFAOYSA-N 1 2 329.400 4.179 20 5 EIBDLO Cc1c([C@H](C)[NH2+]Cc2coc(-c3cccs3)n2)cccc1[N+](=O)[O-] ZINC000178659744 1027279815 /nfs/dbraw/zinc/27/98/15/1027279815.db2.gz IQLVQGYTBOTPBQ-LBPRGKRZSA-N 1 2 343.408 4.471 20 5 EIBDLO CCCc1nc(C)c(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000428366667 1027815051 /nfs/dbraw/zinc/81/50/51/1027815051.db2.gz YSMOMRITCAUWGY-UHFFFAOYSA-N 1 2 329.400 4.008 20 5 EIBDLO CCCc1nc(C)c(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000428366667 1027815057 /nfs/dbraw/zinc/81/50/57/1027815057.db2.gz YSMOMRITCAUWGY-UHFFFAOYSA-N 1 2 329.400 4.008 20 5 EIBDLO CC[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000186050982 1029260541 /nfs/dbraw/zinc/26/05/41/1029260541.db2.gz PHTXWMWJHKBKHR-LJQANCHMSA-N 1 2 348.406 4.293 20 5 EIBDLO Cc1cccn2c(/C=C/c3ccc4cccc([N+](=O)[O-])c4n3)c[nH+]c12 ZINC000525561118 1029678245 /nfs/dbraw/zinc/67/82/45/1029678245.db2.gz GYKHJAQMKBLNIK-MDZDMXLPSA-N 1 2 330.347 4.270 20 5 EIBDLO Cc1ccc(-c2nc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)co2)cc1 ZINC000532531795 1031257759 /nfs/dbraw/zinc/25/77/59/1031257759.db2.gz KEYYMBSUCHNEGO-CQSZACIVSA-N 1 2 337.379 4.409 20 5 EIBDLO CC[C@@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1cccc([N+](=O)[O-])c1 ZINC000612422610 1031504397 /nfs/dbraw/zinc/50/43/97/1031504397.db2.gz HJOPJUBLRIEHSW-HUUCEWRRSA-N 1 2 334.322 4.047 20 5 EIBDLO CC[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1cccc([N+](=O)[O-])c1 ZINC000612422609 1031504540 /nfs/dbraw/zinc/50/45/40/1031504540.db2.gz HJOPJUBLRIEHSW-GJZGRUSLSA-N 1 2 334.322 4.047 20 5 EIBDLO O=[N+]([O-])c1ccc(COc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000521098545 1031813580 /nfs/dbraw/zinc/81/35/80/1031813580.db2.gz AFJFSFFSUIPABY-UHFFFAOYSA-N 1 2 329.743 4.013 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000549919767 1034661648 /nfs/dbraw/zinc/66/16/48/1034661648.db2.gz UBKCSBNUERYEPX-UHFFFAOYSA-N 1 2 326.396 4.250 20 5 EIBDLO Cc1noc(C[N@@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595327728 1035631186 /nfs/dbraw/zinc/63/11/86/1035631186.db2.gz TYHLASSAZQFLES-GOSISDBHSA-N 1 2 349.390 4.191 20 5 EIBDLO Cc1noc(C[N@H+]2Cc3ccccc3C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595327728 1035631210 /nfs/dbraw/zinc/63/12/10/1035631210.db2.gz TYHLASSAZQFLES-GOSISDBHSA-N 1 2 349.390 4.191 20 5 EIBDLO COc1cc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)ccc1[N+](=O)[O-] ZINC000485744434 1036239960 /nfs/dbraw/zinc/23/99/60/1036239960.db2.gz MZDBZVOJYYRRCJ-UHFFFAOYSA-N 1 2 348.349 4.046 20 5 EIBDLO COc1cc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)ccc1[N+](=O)[O-] ZINC000485744434 1036239973 /nfs/dbraw/zinc/23/99/73/1036239973.db2.gz MZDBZVOJYYRRCJ-UHFFFAOYSA-N 1 2 348.349 4.046 20 5 EIBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)cc1OC ZINC000056491189 1036722612 /nfs/dbraw/zinc/72/26/12/1036722612.db2.gz MPCVNGGMPFKQBO-AWEZNQCLSA-N 1 2 348.424 4.011 20 5 EIBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)cc1OC ZINC000056491189 1036722633 /nfs/dbraw/zinc/72/26/33/1036722633.db2.gz MPCVNGGMPFKQBO-AWEZNQCLSA-N 1 2 348.424 4.011 20 5 EIBDLO C[N@H+](Cc1cnc(-c2ccccc2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000192635786 1039858043 /nfs/dbraw/zinc/85/80/43/1039858043.db2.gz DJHMOWRRRLSTQP-UHFFFAOYSA-N 1 2 339.420 4.350 20 5 EIBDLO C[N@@H+](Cc1cnc(-c2ccccc2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000192635786 1039858044 /nfs/dbraw/zinc/85/80/44/1039858044.db2.gz DJHMOWRRRLSTQP-UHFFFAOYSA-N 1 2 339.420 4.350 20 5 EIBDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000553909801 1040623107 /nfs/dbraw/zinc/62/31/07/1040623107.db2.gz QQDQJEKONYABFM-SJKOYZFVSA-N 1 2 331.803 4.226 20 5 EIBDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000553909801 1040623116 /nfs/dbraw/zinc/62/31/16/1040623116.db2.gz QQDQJEKONYABFM-SJKOYZFVSA-N 1 2 331.803 4.226 20 5 EIBDLO Cc1ccc([C@H](C)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc1[N+](=O)[O-] ZINC000539735436 1040748376 /nfs/dbraw/zinc/74/83/76/1040748376.db2.gz PFLSCICECLLVMP-ZDUSSCGKSA-N 1 2 340.358 4.401 20 5 EIBDLO CC(C)([NH2+]Cc1coc(-c2ccccc2)n1)c1ccccc1[N+](=O)[O-] ZINC000492004195 1042530882 /nfs/dbraw/zinc/53/08/82/1042530882.db2.gz WMXVJVYGEOXEBJ-UHFFFAOYSA-N 1 2 337.379 4.275 20 5 EIBDLO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccc(F)cn2)c2ccccc2)c1 ZINC000493131679 1042826427 /nfs/dbraw/zinc/82/64/27/1042826427.db2.gz QTPRNBMFZJCXKF-IBGZPJMESA-N 1 2 337.354 4.008 20 5 EIBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611554888 1043049457 /nfs/dbraw/zinc/04/94/57/1043049457.db2.gz ABCQUIQLJRTWGO-ONGXEEELSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611554888 1043049469 /nfs/dbraw/zinc/04/94/69/1043049469.db2.gz ABCQUIQLJRTWGO-ONGXEEELSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000550442863 1043116191 /nfs/dbraw/zinc/11/61/91/1043116191.db2.gz AXGHIAULZPWUDU-FZKQIMNGSA-N 1 2 346.814 4.383 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000550442863 1043116195 /nfs/dbraw/zinc/11/61/95/1043116195.db2.gz AXGHIAULZPWUDU-FZKQIMNGSA-N 1 2 346.814 4.383 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Cl)sc2Cl)c(F)c1 ZINC000312759061 1043550746 /nfs/dbraw/zinc/55/07/46/1043550746.db2.gz FXHJROKTOQBIOI-UHFFFAOYSA-N 1 2 335.187 4.392 20 5 EIBDLO CC(C)[N@H+](Cc1cc(-c2ccco2)on1)Cc1ccc([N+](=O)[O-])cc1 ZINC000140794539 1043686762 /nfs/dbraw/zinc/68/67/62/1043686762.db2.gz SNRKOSREGIRXLH-UHFFFAOYSA-N 1 2 341.367 4.253 20 5 EIBDLO CC(C)[N@@H+](Cc1cc(-c2ccco2)on1)Cc1ccc([N+](=O)[O-])cc1 ZINC000140794539 1043686772 /nfs/dbraw/zinc/68/67/72/1043686772.db2.gz SNRKOSREGIRXLH-UHFFFAOYSA-N 1 2 341.367 4.253 20 5 EIBDLO Cc1ccc(OC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000116883542 1044313457 /nfs/dbraw/zinc/31/34/57/1044313457.db2.gz QHBGQCXHROXWCQ-UHFFFAOYSA-N 1 2 332.425 4.008 20 5 EIBDLO Cc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 ZINC000338894180 1045071224 /nfs/dbraw/zinc/07/12/24/1045071224.db2.gz FKXLOLPBMDQWQI-UHFFFAOYSA-N 1 2 328.290 4.147 20 5 EIBDLO Cc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)o1 ZINC000338894180 1045071240 /nfs/dbraw/zinc/07/12/40/1045071240.db2.gz FKXLOLPBMDQWQI-UHFFFAOYSA-N 1 2 328.290 4.147 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000611336399 1045281489 /nfs/dbraw/zinc/28/14/89/1045281489.db2.gz LAZALCASKNHWLT-VIFPVBQESA-N 1 2 342.292 4.310 20 5 EIBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768548413 1045822951 /nfs/dbraw/zinc/82/29/51/1045822951.db2.gz BZNAWDCZFPUOLL-MRXNPFEDSA-N 1 2 333.819 4.314 20 5 EIBDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768548413 1045822953 /nfs/dbraw/zinc/82/29/53/1045822953.db2.gz BZNAWDCZFPUOLL-MRXNPFEDSA-N 1 2 333.819 4.314 20 5 EIBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC001168274208 1046216124 /nfs/dbraw/zinc/21/61/24/1046216124.db2.gz BFWRXZVGSPWJFR-FQEVSTJZSA-N 1 2 345.402 4.289 20 5 EIBDLO O=[N+]([O-])c1ncccc1C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC001168274208 1046216140 /nfs/dbraw/zinc/21/61/40/1046216140.db2.gz BFWRXZVGSPWJFR-FQEVSTJZSA-N 1 2 345.402 4.289 20 5 EIBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccnc1Cl ZINC000773041491 1049545137 /nfs/dbraw/zinc/54/51/37/1049545137.db2.gz QGIYMRYJGIONJW-VIFPVBQESA-N 1 2 326.183 4.147 20 5 EIBDLO O=[N+]([O-])c1ccc(SCc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000618964944 1050614410 /nfs/dbraw/zinc/61/44/10/1050614410.db2.gz NQVOLVZGCYUJQP-UHFFFAOYSA-N 1 2 329.356 4.212 20 5 EIBDLO CC(C)CCc1nc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC001176027737 1051879743 /nfs/dbraw/zinc/87/97/43/1051879743.db2.gz CKBYXDMBGDDLEW-CYBMUJFWSA-N 1 2 333.457 4.491 20 5 EIBDLO Cc1ccc(-c2cnc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC001176037900 1051880833 /nfs/dbraw/zinc/88/08/33/1051880833.db2.gz YVNWVZLGFPNHIB-AWEZNQCLSA-N 1 2 337.379 4.409 20 5 EIBDLO O=[N+]([O-])c1cccc2ncnc(Nc3ccc([NH+]4CCCCC4)cc3)c21 ZINC001184598537 1052053057 /nfs/dbraw/zinc/05/30/57/1052053057.db2.gz JUHBKPKHJJNPKV-UHFFFAOYSA-N 1 2 349.394 4.272 20 5 EIBDLO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000774908681 1052275144 /nfs/dbraw/zinc/27/51/44/1052275144.db2.gz IXRVOHDKPYWGJF-MLGOLLRUSA-N 1 2 345.355 4.069 20 5 EIBDLO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000774908681 1052275153 /nfs/dbraw/zinc/27/51/53/1052275153.db2.gz IXRVOHDKPYWGJF-MLGOLLRUSA-N 1 2 345.355 4.069 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3c3ccc(F)cc3)nc2c1 ZINC000083133448 1052833059 /nfs/dbraw/zinc/83/30/59/1052833059.db2.gz BGGZEBPONLJBJP-MRXNPFEDSA-N 1 2 341.342 4.212 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3c3ccc(F)cc3)nc2c1 ZINC000083133448 1052833060 /nfs/dbraw/zinc/83/30/60/1052833060.db2.gz BGGZEBPONLJBJP-MRXNPFEDSA-N 1 2 341.342 4.212 20 5 EIBDLO O=[N+]([O-])c1cccc2c1CCN(c1cc[nH+]c3c(Cl)cccc13)C2 ZINC000864012162 1053135303 /nfs/dbraw/zinc/13/53/03/1053135303.db2.gz VBNJCSMUSFJIAY-UHFFFAOYSA-N 1 2 339.782 4.359 20 5 EIBDLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872018148 1054331683 /nfs/dbraw/zinc/33/16/83/1054331683.db2.gz IZDLMGOTIAFYLR-NWDGAFQWSA-N 1 2 345.374 4.104 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000872026422 1054342033 /nfs/dbraw/zinc/34/20/33/1054342033.db2.gz ANVMZUYRMYMCQM-MNOVXSKESA-N 1 2 333.319 4.054 20 5 EIBDLO C[C@@H]([NH2+][C@@H]1CCCOc2ccc(F)cc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872026582 1054344405 /nfs/dbraw/zinc/34/44/05/1054344405.db2.gz BOOHBEIABDQYKZ-IAQYHMDHSA-N 1 2 348.349 4.438 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000872050351 1054362661 /nfs/dbraw/zinc/36/26/61/1054362661.db2.gz ZDAYLWJKHJIIEB-VXGBXAGGSA-N 1 2 347.346 4.362 20 5 EIBDLO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064025 1054374619 /nfs/dbraw/zinc/37/46/19/1054374619.db2.gz VKCKJWXPWPYDAV-DGCLKSJQSA-N 1 2 348.422 4.406 20 5 EIBDLO C[C@@H]([NH2+][C@@H]1C[C@@H](C)Oc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872074810 1054379115 /nfs/dbraw/zinc/37/91/15/1054379115.db2.gz HZNYJZUWTLIIHG-LALPHHSUSA-N 1 2 330.359 4.297 20 5 EIBDLO COCc1cc[nH+]c(N[C@H](C)c2cc([N+](=O)[O-])ccc2SC)c1 ZINC000872083380 1054382991 /nfs/dbraw/zinc/38/29/91/1054382991.db2.gz LMEXUSONFPUWAN-LLVKDONJSA-N 1 2 333.413 4.031 20 5 EIBDLO C[C@H]([NH2+]Cc1cccc(OC2CC2)c1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872086333 1054383328 /nfs/dbraw/zinc/38/33/28/1054383328.db2.gz UVTNQOYTYDXGOG-NSHDSACASA-N 1 2 348.349 4.265 20 5 EIBDLO Cc1cc([NH+]2CCCCC2)ccc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001201223640 1054730734 /nfs/dbraw/zinc/73/07/34/1054730734.db2.gz DGMQDWOGBYUVPR-UHFFFAOYSA-N 1 2 327.384 4.343 20 5 EIBDLO Cc1csc([C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)n1 ZINC000273288651 1055604608 /nfs/dbraw/zinc/60/46/08/1055604608.db2.gz MHJXKUWASLNIGD-AWEZNQCLSA-N 1 2 337.832 4.254 20 5 EIBDLO Cc1ccc2[nH+]cc(/C=C\c3ccc4cc([N+](=O)[O-])ccc4n3)n2c1 ZINC000471473238 1021125359 /nfs/dbraw/zinc/12/53/59/1021125359.db2.gz TYRTWBGTWROVTH-WAYWQWQTSA-N 1 2 330.347 4.270 20 5 EIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cs1 ZINC000411997727 1021191917 /nfs/dbraw/zinc/19/19/17/1021191917.db2.gz JGTAKZVIWNOPHG-QGZVFWFLSA-N 1 2 344.436 4.010 20 5 EIBDLO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)cs1 ZINC000411997727 1021191919 /nfs/dbraw/zinc/19/19/19/1021191919.db2.gz JGTAKZVIWNOPHG-QGZVFWFLSA-N 1 2 344.436 4.010 20 5 EIBDLO CSc1ccccc1[C@@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510580119 1024049216 /nfs/dbraw/zinc/04/92/16/1024049216.db2.gz QXLIRLJISAVQND-SNVBAGLBSA-N 1 2 338.379 4.446 20 5 EIBDLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510810828 1024523159 /nfs/dbraw/zinc/52/31/59/1024523159.db2.gz LAMZDKBNJRZJRE-UHFFFAOYSA-N 1 2 345.349 4.376 20 5 EIBDLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510810828 1024523180 /nfs/dbraw/zinc/52/31/80/1024523180.db2.gz LAMZDKBNJRZJRE-UHFFFAOYSA-N 1 2 345.349 4.376 20 5 EIBDLO CC[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1cccc([N+](=O)[O-])c1 ZINC000186050956 1029259025 /nfs/dbraw/zinc/25/90/25/1029259025.db2.gz PHTXWMWJHKBKHR-IBGZPJMESA-N 1 2 348.406 4.293 20 5 EIBDLO Cc1ccc(C[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000278617001 1029603032 /nfs/dbraw/zinc/60/30/32/1029603032.db2.gz DIMVYDXUJIVCKO-SECBINFHSA-N 1 2 345.346 4.229 20 5 EIBDLO CCC[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1cccc([N+](=O)[O-])c1 ZINC000612422667 1031504372 /nfs/dbraw/zinc/50/43/72/1031504372.db2.gz SJOVVLHVHMMNLG-CVEARBPZSA-N 1 2 348.349 4.438 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000595021400 1035510821 /nfs/dbraw/zinc/51/08/21/1035510821.db2.gz DEUHKSJHEBAWSX-BMIGLBTASA-N 1 2 348.786 4.041 20 5 EIBDLO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000595295603 1035623312 /nfs/dbraw/zinc/62/33/12/1035623312.db2.gz MNXCJBZEJSKPNK-LBPRGKRZSA-N 1 2 329.356 4.221 20 5 EIBDLO CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000595295603 1035623344 /nfs/dbraw/zinc/62/33/44/1035623344.db2.gz MNXCJBZEJSKPNK-LBPRGKRZSA-N 1 2 329.356 4.221 20 5 EIBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CC(F)F)c2ccccc2)c(F)c1 ZINC000420992643 1035930176 /nfs/dbraw/zinc/93/01/76/1035930176.db2.gz KZUWTVINXVZRAD-HNNXBMFYSA-N 1 2 342.292 4.359 20 5 EIBDLO CC[N@H+](Cc1ccccn1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602466810 1036458993 /nfs/dbraw/zinc/45/89/93/1036458993.db2.gz DGFGZKNGVNXJDO-UHFFFAOYSA-N 1 2 339.317 4.031 20 5 EIBDLO CC[N@@H+](Cc1ccccn1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602466810 1036459009 /nfs/dbraw/zinc/45/90/09/1036459009.db2.gz DGFGZKNGVNXJDO-UHFFFAOYSA-N 1 2 339.317 4.031 20 5 EIBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000513753593 1036595834 /nfs/dbraw/zinc/59/58/34/1036595834.db2.gz DJNVZDZQCRCXIE-KLFHKAFYSA-N 1 2 338.407 4.070 20 5 EIBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000513753593 1036595854 /nfs/dbraw/zinc/59/58/54/1036595854.db2.gz DJNVZDZQCRCXIE-KLFHKAFYSA-N 1 2 338.407 4.070 20 5 EIBDLO CC[C@@H](c1cccc(OC)c1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000588972363 1036628328 /nfs/dbraw/zinc/62/83/28/1036628328.db2.gz CCDUDBUKZWZEPK-KRWDZBQOSA-N 1 2 332.375 4.326 20 5 EIBDLO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000588972363 1036628338 /nfs/dbraw/zinc/62/83/38/1036628338.db2.gz CCDUDBUKZWZEPK-KRWDZBQOSA-N 1 2 332.375 4.326 20 5 EIBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)cc1OC ZINC000056491190 1036722778 /nfs/dbraw/zinc/72/27/78/1036722778.db2.gz MPCVNGGMPFKQBO-CQSZACIVSA-N 1 2 348.424 4.011 20 5 EIBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)cc1OC ZINC000056491190 1036722801 /nfs/dbraw/zinc/72/28/01/1036722801.db2.gz MPCVNGGMPFKQBO-CQSZACIVSA-N 1 2 348.424 4.011 20 5 EIBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2c(F)cccc2F)cc(C(F)(F)F)c1 ZINC000487158341 1037013667 /nfs/dbraw/zinc/01/36/67/1037013667.db2.gz MLNGSLPVETVTCE-UHFFFAOYSA-N 1 2 346.255 4.182 20 5 EIBDLO COc1ccc2cc(C[N@H+](C)Cc3csc([N+](=O)[O-])c3)ccc2c1 ZINC000603933591 1037094248 /nfs/dbraw/zinc/09/42/48/1037094248.db2.gz WWXIMRGQLFHZOV-UHFFFAOYSA-N 1 2 342.420 4.450 20 5 EIBDLO COc1ccc2cc(C[N@@H+](C)Cc3csc([N+](=O)[O-])c3)ccc2c1 ZINC000603933591 1037094265 /nfs/dbraw/zinc/09/42/65/1037094265.db2.gz WWXIMRGQLFHZOV-UHFFFAOYSA-N 1 2 342.420 4.450 20 5 EIBDLO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000573334413 1037482312 /nfs/dbraw/zinc/48/23/12/1037482312.db2.gz PENRJLBJHJVJPF-MRXNPFEDSA-N 1 2 332.425 4.248 20 5 EIBDLO COc1ccc(C[N@H+]2CC(C)(C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC000573334413 1037482317 /nfs/dbraw/zinc/48/23/17/1037482317.db2.gz PENRJLBJHJVJPF-MRXNPFEDSA-N 1 2 332.425 4.248 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000592137275 1037752739 /nfs/dbraw/zinc/75/27/39/1037752739.db2.gz JAZOFFRDUADDJO-UHFFFAOYSA-N 1 2 332.787 4.036 20 5 EIBDLO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000490069608 1038329842 /nfs/dbraw/zinc/32/98/42/1038329842.db2.gz CNTCSEMDTXSIHL-AWEZNQCLSA-N 1 2 340.832 4.129 20 5 EIBDLO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000490069608 1038329860 /nfs/dbraw/zinc/32/98/60/1038329860.db2.gz CNTCSEMDTXSIHL-AWEZNQCLSA-N 1 2 340.832 4.129 20 5 EIBDLO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000490081976 1038335072 /nfs/dbraw/zinc/33/50/72/1038335072.db2.gz ANRQRKWTSZFGGM-RKDXNWHRSA-N 1 2 345.346 4.482 20 5 EIBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1C(F)(F)F ZINC000555421042 1039177107 /nfs/dbraw/zinc/17/71/07/1039177107.db2.gz SFJGDUOXEUWOCX-SNVBAGLBSA-N 1 2 340.301 4.170 20 5 EIBDLO O=[N+]([O-])c1ccc(OC(F)F)c(CNc2ccc3c(c2)CCC[NH2+]3)c1 ZINC000414843311 1039344836 /nfs/dbraw/zinc/34/48/36/1039344836.db2.gz CGVMPXZHWDWWPB-UHFFFAOYSA-N 1 2 349.337 4.166 20 5 EIBDLO O=[N+]([O-])c1ccc(NCc2ccccc2Cn2cc[nH+]c2)c(Cl)c1 ZINC000078288660 1039359624 /nfs/dbraw/zinc/35/96/24/1039359624.db2.gz WNNHQTDKBFZAOH-UHFFFAOYSA-N 1 2 342.786 4.105 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553993627 1040682941 /nfs/dbraw/zinc/68/29/41/1040682941.db2.gz VRWWZFLBYJVMOD-MRXNPFEDSA-N 1 2 332.425 4.248 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000553993627 1040682952 /nfs/dbraw/zinc/68/29/52/1040682952.db2.gz VRWWZFLBYJVMOD-MRXNPFEDSA-N 1 2 332.425 4.248 20 5 EIBDLO Cc1ccccc1[C@H]1C[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000075767835 1041345109 /nfs/dbraw/zinc/34/51/09/1041345109.db2.gz QSOATHBSLISBOR-HNAYVOBHSA-N 1 2 326.396 4.038 20 5 EIBDLO Cc1ccccc1[C@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000075767835 1041345118 /nfs/dbraw/zinc/34/51/18/1041345118.db2.gz QSOATHBSLISBOR-HNAYVOBHSA-N 1 2 326.396 4.038 20 5 EIBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cnc(C3CCCC3)s1)C2 ZINC000538727264 1041499107 /nfs/dbraw/zinc/49/91/07/1041499107.db2.gz DTAQFDNODVYJHW-UHFFFAOYSA-N 1 2 343.452 4.267 20 5 EIBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cnc(C3CCCC3)s1)C2 ZINC000538727264 1041499111 /nfs/dbraw/zinc/49/91/11/1041499111.db2.gz DTAQFDNODVYJHW-UHFFFAOYSA-N 1 2 343.452 4.267 20 5 EIBDLO COc1c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)oc2ccccc21 ZINC000474025210 1043358820 /nfs/dbraw/zinc/35/88/20/1043358820.db2.gz XGPKXPRJQWSSRB-UHFFFAOYSA-N 1 2 346.770 4.293 20 5 EIBDLO O=[N+]([O-])c1c(Oc2cccc(-n3cc[nH+]c3)c2)ccc2ncccc21 ZINC000077982064 1043442380 /nfs/dbraw/zinc/44/23/80/1043442380.db2.gz FUFZCVCAVPLOST-UHFFFAOYSA-N 1 2 332.319 4.121 20 5 EIBDLO CC[N@H+](Cc1c[nH]c2ccccc12)Cc1c(F)cccc1[N+](=O)[O-] ZINC000442871551 1043872078 /nfs/dbraw/zinc/87/20/78/1043872078.db2.gz GJHGZOMCOJRAMF-UHFFFAOYSA-N 1 2 327.359 4.237 20 5 EIBDLO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1c(F)cccc1[N+](=O)[O-] ZINC000442871551 1043872081 /nfs/dbraw/zinc/87/20/81/1043872081.db2.gz GJHGZOMCOJRAMF-UHFFFAOYSA-N 1 2 327.359 4.237 20 5 EIBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc(-c2ccccc2)o1 ZINC000079309520 1043883553 /nfs/dbraw/zinc/88/35/53/1043883553.db2.gz GPNLFOZRLAGMLZ-STQMWFEESA-N 1 2 338.367 4.057 20 5 EIBDLO COC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000080238788 1044125502 /nfs/dbraw/zinc/12/55/02/1044125502.db2.gz LEKZUIJPECZYBN-MRXNPFEDSA-N 1 2 332.400 4.097 20 5 EIBDLO Cc1csc(C2([NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])CCC2)n1 ZINC000494788516 1044257291 /nfs/dbraw/zinc/25/72/91/1044257291.db2.gz SAXHSYGSTOJKGV-UHFFFAOYSA-N 1 2 337.832 4.182 20 5 EIBDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000766139156 1044322340 /nfs/dbraw/zinc/32/23/40/1044322340.db2.gz MAOOPNFZPVVJFN-QGZVFWFLSA-N 1 2 331.803 4.289 20 5 EIBDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000766139156 1044322354 /nfs/dbraw/zinc/32/23/54/1044322354.db2.gz MAOOPNFZPVVJFN-QGZVFWFLSA-N 1 2 331.803 4.289 20 5 EIBDLO COc1cccc(Cl)c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429255411 1044351029 /nfs/dbraw/zinc/35/10/29/1044351029.db2.gz PTCYIZGHAJNLPB-UHFFFAOYSA-N 1 2 334.803 4.282 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000543404139 1044525626 /nfs/dbraw/zinc/52/56/26/1044525626.db2.gz HBNZSDGUOSWSQR-LJQANCHMSA-N 1 2 337.354 4.008 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2nc3cc(F)ccc3o2)C2CC2)c1 ZINC000153322679 1045501260 /nfs/dbraw/zinc/50/12/60/1045501260.db2.gz BQVOTSYSNFMNMF-UHFFFAOYSA-N 1 2 341.342 4.040 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2nc3cc(F)ccc3o2)C2CC2)c1 ZINC000153322679 1045501266 /nfs/dbraw/zinc/50/12/66/1045501266.db2.gz BQVOTSYSNFMNMF-UHFFFAOYSA-N 1 2 341.342 4.040 20 5 EIBDLO COc1ccc(C[C@H](C)[N@@H+]2Cc3ccc(Cl)cc3C2)c([N+](=O)[O-])c1 ZINC001170353151 1046009268 /nfs/dbraw/zinc/00/92/68/1046009268.db2.gz WTCCZJHBDMWFRG-LBPRGKRZSA-N 1 2 346.814 4.204 20 5 EIBDLO COc1ccc(C[C@H](C)[N@H+]2Cc3ccc(Cl)cc3C2)c([N+](=O)[O-])c1 ZINC001170353151 1046009284 /nfs/dbraw/zinc/00/92/84/1046009284.db2.gz WTCCZJHBDMWFRG-LBPRGKRZSA-N 1 2 346.814 4.204 20 5 EIBDLO CC(C)c1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000536681535 1046647095 /nfs/dbraw/zinc/64/70/95/1046647095.db2.gz ZAWZNHHRRPMTDG-UHFFFAOYSA-N 1 2 328.334 4.413 20 5 EIBDLO CC(C)c1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000536681535 1046647104 /nfs/dbraw/zinc/64/71/04/1046647104.db2.gz ZAWZNHHRRPMTDG-UHFFFAOYSA-N 1 2 328.334 4.413 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cc(F)c(Cl)cc2F)c1 ZINC000788532178 1047227306 /nfs/dbraw/zinc/22/73/06/1047227306.db2.gz NIDKGRRDJBZYBJ-UHFFFAOYSA-N 1 2 347.148 4.470 20 5 EIBDLO COc1c(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])oc2ccccc21 ZINC000788969592 1047338725 /nfs/dbraw/zinc/33/87/25/1047338725.db2.gz KMZXUHVKTCGEQS-UHFFFAOYSA-N 1 2 346.770 4.293 20 5 EIBDLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000609280612 1047485131 /nfs/dbraw/zinc/48/51/31/1047485131.db2.gz GFRMCBDPZMJVPP-OAHLLOKOSA-N 1 2 332.425 4.392 20 5 EIBDLO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000609280612 1047485140 /nfs/dbraw/zinc/48/51/40/1047485140.db2.gz GFRMCBDPZMJVPP-OAHLLOKOSA-N 1 2 332.425 4.392 20 5 EIBDLO COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609280642 1047493457 /nfs/dbraw/zinc/49/34/57/1047493457.db2.gz IMOJDVKOAMUHOZ-QGZVFWFLSA-N 1 2 344.386 4.470 20 5 EIBDLO COc1ccccc1[C@H]1CCCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609280642 1047493471 /nfs/dbraw/zinc/49/34/71/1047493471.db2.gz IMOJDVKOAMUHOZ-QGZVFWFLSA-N 1 2 344.386 4.470 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cc(F)ccc1F ZINC000811478916 1049099040 /nfs/dbraw/zinc/09/90/40/1049099040.db2.gz SIMAUNOYNCSWCD-UHFFFAOYSA-N 1 2 347.148 4.470 20 5 EIBDLO Cc1ccc(OC2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000609739593 1049306483 /nfs/dbraw/zinc/30/64/83/1049306483.db2.gz WPASVEAHSMXVJF-UHFFFAOYSA-N 1 2 344.386 4.086 20 5 EIBDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000805748251 1049511350 /nfs/dbraw/zinc/51/13/50/1049511350.db2.gz BPLBCCWCTBBYMR-SJKOYZFVSA-N 1 2 331.803 4.226 20 5 EIBDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000805748251 1049511363 /nfs/dbraw/zinc/51/13/63/1049511363.db2.gz BPLBCCWCTBBYMR-SJKOYZFVSA-N 1 2 331.803 4.226 20 5 EIBDLO Cc1cccn2c(/C=C/c3nc4cc([N+](=O)[O-])ccc4s3)c[nH+]c12 ZINC000610167186 1049563333 /nfs/dbraw/zinc/56/33/33/1049563333.db2.gz RHYPEJNIYMIMDC-FNORWQNLSA-N 1 2 336.376 4.331 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2nc3cc(F)ccc3o2)cc1[N+](=O)[O-] ZINC000181819433 1050343835 /nfs/dbraw/zinc/34/38/35/1050343835.db2.gz GLGZJMIWPFDDJM-LLVKDONJSA-N 1 2 329.331 4.034 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC001190503111 1051196440 /nfs/dbraw/zinc/19/64/40/1051196440.db2.gz LMYRBZROPBIXQO-UHFFFAOYSA-N 1 2 326.396 4.103 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+](Cc1ccccc1)CC1CCC1 ZINC001190503111 1051196444 /nfs/dbraw/zinc/19/64/44/1051196444.db2.gz LMYRBZROPBIXQO-UHFFFAOYSA-N 1 2 326.396 4.103 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(Cc3ccccc3Cl)C2)c(F)c1 ZINC001181544615 1051251360 /nfs/dbraw/zinc/25/13/60/1051251360.db2.gz SOEFVEHLACGXNB-UHFFFAOYSA-N 1 2 334.778 4.062 20 5 EIBDLO Cc1ccoc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001182044406 1051379261 /nfs/dbraw/zinc/37/92/61/1051379261.db2.gz XXAPKHWAUKJSID-UHFFFAOYSA-N 1 2 328.290 4.147 20 5 EIBDLO Cc1ccoc1C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001182044406 1051379265 /nfs/dbraw/zinc/37/92/65/1051379265.db2.gz XXAPKHWAUKJSID-UHFFFAOYSA-N 1 2 328.290 4.147 20 5 EIBDLO Cc1cc(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccc1[NH+](C)C ZINC000774331997 1051560726 /nfs/dbraw/zinc/56/07/26/1051560726.db2.gz ZVYKCFLQRMRTEC-GOSISDBHSA-N 1 2 325.412 4.459 20 5 EIBDLO Cc1ccc(CC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC001192471867 1051729807 /nfs/dbraw/zinc/72/98/07/1051729807.db2.gz RBKFCAYNOCBHHQ-UHFFFAOYSA-N 1 2 340.423 4.064 20 5 EIBDLO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000774796846 1052130189 /nfs/dbraw/zinc/13/01/89/1052130189.db2.gz GMOZFJINUUKIFC-VIFPVBQESA-N 1 2 326.730 4.377 20 5 EIBDLO Cc1cnc([C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)s1 ZINC000185275820 1052565195 /nfs/dbraw/zinc/56/51/95/1052565195.db2.gz ALXKCEMTIZCBIB-AWEZNQCLSA-N 1 2 337.832 4.254 20 5 EIBDLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000741795591 1058374271 /nfs/dbraw/zinc/37/42/71/1058374271.db2.gz ZLBXAVNJDCJCFM-LLVKDONJSA-N 1 2 337.420 4.254 20 5 EIBDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000741795591 1058374288 /nfs/dbraw/zinc/37/42/88/1058374288.db2.gz ZLBXAVNJDCJCFM-LLVKDONJSA-N 1 2 337.420 4.254 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1COc1cccc(-n2cc[nH+]c2)c1 ZINC000746051039 1059979865 /nfs/dbraw/zinc/97/98/65/1059979865.db2.gz GJASWXHBFNBFCG-UHFFFAOYSA-N 1 2 329.743 4.013 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000610217587 1019423182 /nfs/dbraw/zinc/42/31/82/1019423182.db2.gz LWDDZPILUVHXFP-LPMFXHHGSA-N 1 2 344.386 4.257 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000610217587 1019423195 /nfs/dbraw/zinc/42/31/95/1019423195.db2.gz LWDDZPILUVHXFP-LPMFXHHGSA-N 1 2 344.386 4.257 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC000430218235 1019443149 /nfs/dbraw/zinc/44/31/49/1019443149.db2.gz IYTXSYOBWUCSGC-LLVKDONJSA-N 1 2 349.456 4.208 20 5 EIBDLO C[C@@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1cccc([N+](=O)[O-])c1 ZINC000180395986 1022624835 /nfs/dbraw/zinc/62/48/35/1022624835.db2.gz IGHOOLWGJZQJBD-GFCCVEGCSA-N 1 2 341.342 4.240 20 5 EIBDLO Cc1oc(-c2cccs2)nc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180452206 1022668182 /nfs/dbraw/zinc/66/81/82/1022668182.db2.gz OSBWZJFFRXXLSY-LLVKDONJSA-N 1 2 343.408 4.471 20 5 EIBDLO Cc1c([C@@H](C)[NH2+]Cc2coc(-c3ccccc3)n2)cccc1[N+](=O)[O-] ZINC000177970250 1022973044 /nfs/dbraw/zinc/97/30/44/1022973044.db2.gz OYIXJBRBBABUHM-CQSZACIVSA-N 1 2 337.379 4.409 20 5 EIBDLO COc1ccccc1C(C)(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119421528 1023669832 /nfs/dbraw/zinc/66/98/32/1023669832.db2.gz DWAJWHVLNLFEDI-UHFFFAOYSA-N 1 2 334.803 4.282 20 5 EIBDLO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119640010 1023678827 /nfs/dbraw/zinc/67/88/27/1023678827.db2.gz XIBNVZQNWFQPNF-LBPRGKRZSA-N 1 2 334.803 4.416 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000432317174 1025306321 /nfs/dbraw/zinc/30/63/21/1025306321.db2.gz GEBOHGOEFHMNTI-UHFFFAOYSA-N 1 2 346.818 4.246 20 5 EIBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1nc2ccccc2s1 ZINC000506721237 1025474836 /nfs/dbraw/zinc/47/48/36/1025474836.db2.gz XVFDUHWQSVHABZ-SOFGYWHQSA-N 1 2 339.420 4.350 20 5 EIBDLO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1nc2ccccc2s1 ZINC000506721237 1025474856 /nfs/dbraw/zinc/47/48/56/1025474856.db2.gz XVFDUHWQSVHABZ-SOFGYWHQSA-N 1 2 339.420 4.350 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc(C(F)(F)F)cs2)cc1[N+](=O)[O-] ZINC000157319177 1025846418 /nfs/dbraw/zinc/84/64/18/1025846418.db2.gz RXOXQLQXKUIQJF-VIFPVBQESA-N 1 2 345.346 4.229 20 5 EIBDLO Cc1oc(-c2ccsc2)nc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000539280472 1025951142 /nfs/dbraw/zinc/95/11/42/1025951142.db2.gz HQWLAHKHWATGAG-LLVKDONJSA-N 1 2 343.408 4.471 20 5 EIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000441451599 1028008738 /nfs/dbraw/zinc/00/87/38/1028008738.db2.gz UOIMIVZNJRDJIK-PJIJBLCYSA-N 1 2 344.386 4.257 20 5 EIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000441451599 1028008759 /nfs/dbraw/zinc/00/87/59/1028008759.db2.gz UOIMIVZNJRDJIK-PJIJBLCYSA-N 1 2 344.386 4.257 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000245527670 1028871777 /nfs/dbraw/zinc/87/17/77/1028871777.db2.gz QDYIVSGIFCKJNH-SUMWQHHRSA-N 1 2 332.425 4.099 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000245527670 1028871787 /nfs/dbraw/zinc/87/17/87/1028871787.db2.gz QDYIVSGIFCKJNH-SUMWQHHRSA-N 1 2 332.425 4.099 20 5 EIBDLO O=C(Nc1cccc2[nH+]ccn21)c1cc2ccccc2c2cccnc12 ZINC000525103211 1029453968 /nfs/dbraw/zinc/45/39/68/1029453968.db2.gz SYUZIZSITFRQHF-UHFFFAOYSA-N 1 2 338.370 4.288 20 5 EIBDLO CCCCc1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000292045407 1033496503 /nfs/dbraw/zinc/49/65/03/1033496503.db2.gz AYZRWAUUGGZYKU-UHFFFAOYSA-N 1 2 333.457 4.419 20 5 EIBDLO COc1cccc([C@@H]2CCC[N@@H+]2Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000509851295 1034171913 /nfs/dbraw/zinc/17/19/13/1034171913.db2.gz OOJMWGNCGSGYIR-SFHVURJKSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1cccc([C@@H]2CCC[N@H+]2Cc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC000509851295 1034171920 /nfs/dbraw/zinc/17/19/20/1034171920.db2.gz OOJMWGNCGSGYIR-SFHVURJKSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000595021401 1035510179 /nfs/dbraw/zinc/51/01/79/1035510179.db2.gz DEUHKSJHEBAWSX-BONVTDFDSA-N 1 2 348.786 4.041 20 5 EIBDLO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595027682 1035558340 /nfs/dbraw/zinc/55/83/40/1035558340.db2.gz TVTIIVDTOGQCTL-RYUDHWBXSA-N 1 2 348.374 4.163 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1COc2c1cccc2Cl ZINC000595026842 1035558645 /nfs/dbraw/zinc/55/86/45/1035558645.db2.gz NDBXKQQFMOJECL-ZUZCIYMTSA-N 1 2 348.786 4.041 20 5 EIBDLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000595334728 1035633119 /nfs/dbraw/zinc/63/31/19/1035633119.db2.gz VSJRZEWGTPFZRA-NSHDSACASA-N 1 2 337.420 4.254 20 5 EIBDLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000595334728 1035633145 /nfs/dbraw/zinc/63/31/45/1035633145.db2.gz VSJRZEWGTPFZRA-NSHDSACASA-N 1 2 337.420 4.254 20 5 EIBDLO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccs2)no1 ZINC000905852291 1035942954 /nfs/dbraw/zinc/94/29/54/1035942954.db2.gz HEMNFJAJJZACBH-GHMZBOCLSA-N 1 2 344.396 4.118 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccs2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000905852292 1035943879 /nfs/dbraw/zinc/94/38/79/1035943879.db2.gz HEMNFJAJJZACBH-MNOVXSKESA-N 1 2 344.396 4.118 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCc1ccn2cc[nH+]c2c1 ZINC000588000388 1036173061 /nfs/dbraw/zinc/17/30/61/1036173061.db2.gz LIZHFZRXHGPUAW-UHFFFAOYSA-N 1 2 337.166 4.161 20 5 EIBDLO CC[N@H+](Cc1ccc(Cl)s1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000061783123 1037543606 /nfs/dbraw/zinc/54/36/06/1037543606.db2.gz CHPFXYOELXAIIY-UHFFFAOYSA-N 1 2 340.832 4.340 20 5 EIBDLO CC[N@@H+](Cc1ccc(Cl)s1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000061783123 1037543616 /nfs/dbraw/zinc/54/36/16/1037543616.db2.gz CHPFXYOELXAIIY-UHFFFAOYSA-N 1 2 340.832 4.340 20 5 EIBDLO COc1cc(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)ccc1SC ZINC000058527733 1037844628 /nfs/dbraw/zinc/84/46/28/1037844628.db2.gz FHDDLJSHDZTYDO-UHFFFAOYSA-N 1 2 338.454 4.019 20 5 EIBDLO COc1cc(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)ccc1SC ZINC000058527733 1037844629 /nfs/dbraw/zinc/84/46/29/1037844629.db2.gz FHDDLJSHDZTYDO-UHFFFAOYSA-N 1 2 338.454 4.019 20 5 EIBDLO Cc1ccccc1-c1cnc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000539278689 1038915096 /nfs/dbraw/zinc/91/50/96/1038915096.db2.gz WHFHTKHTUZNTIB-AWEZNQCLSA-N 1 2 337.379 4.409 20 5 EIBDLO Cc1ccc(-c2nc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3)cs2)o1 ZINC000539280374 1038930768 /nfs/dbraw/zinc/93/07/68/1038930768.db2.gz YODWWSUABRSWGS-LBPRGKRZSA-N 1 2 343.408 4.471 20 5 EIBDLO C[C@@H]1C[C@H]1[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000555422309 1039176897 /nfs/dbraw/zinc/17/68/97/1039176897.db2.gz UARWOQLKZFFFJV-ONUMYQOESA-N 1 2 346.814 4.441 20 5 EIBDLO Cc1ccc2[nH+]cc(/C=C/c3nc4cc([N+](=O)[O-])ccc4s3)n2c1 ZINC000434928180 1039938460 /nfs/dbraw/zinc/93/84/60/1039938460.db2.gz VVKHACYBRLORHF-QPJJXVBHSA-N 1 2 336.376 4.331 20 5 EIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]Cc3nccs3)o2)c(Cl)c1 ZINC000171050345 1040372824 /nfs/dbraw/zinc/37/28/24/1040372824.db2.gz CONZFAFKOMBJOA-UHFFFAOYSA-N 1 2 349.799 4.255 20 5 EIBDLO Cc1ccccc1[C@H]([C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000443218874 1040785702 /nfs/dbraw/zinc/78/57/02/1040785702.db2.gz UOECOSKSRIFQRM-GUXCAODWSA-N 1 2 341.455 4.245 20 5 EIBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000483649788 1040931320 /nfs/dbraw/zinc/93/13/20/1040931320.db2.gz HVRPLOTWZCPIEC-SRXBQZRASA-N 1 2 344.415 4.029 20 5 EIBDLO Cc1ccc(-c2cnc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000538176977 1041130801 /nfs/dbraw/zinc/13/08/01/1041130801.db2.gz ZXEYWKXRTGACML-CQSZACIVSA-N 1 2 337.379 4.409 20 5 EIBDLO Cc1c([C@H](C)Nc2ccc(N3CCCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000540836650 1041695067 /nfs/dbraw/zinc/69/50/67/1041695067.db2.gz HLBUVNPOZFDGRJ-HNNXBMFYSA-N 1 2 340.427 4.462 20 5 EIBDLO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])cc1F ZINC000464677138 1042114503 /nfs/dbraw/zinc/11/45/03/1042114503.db2.gz LRGQWZFYFNYOSX-MLGOLLRUSA-N 1 2 348.374 4.309 20 5 EIBDLO COc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)c([N+](=O)[O-])cc1F ZINC000464677138 1042114511 /nfs/dbraw/zinc/11/45/11/1042114511.db2.gz LRGQWZFYFNYOSX-MLGOLLRUSA-N 1 2 348.374 4.309 20 5 EIBDLO Cc1ccc([N+](=O)[O-])c(C)c1NCc1c[nH+]cn1Cc1ccccc1 ZINC000438301523 1042127617 /nfs/dbraw/zinc/12/76/17/1042127617.db2.gz GVKIROUSTWZRKS-UHFFFAOYSA-N 1 2 336.395 4.069 20 5 EIBDLO C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000030152296 1042492703 /nfs/dbraw/zinc/49/27/03/1042492703.db2.gz SSKXHXCTPVDXJM-SUMWQHHRSA-N 1 2 326.396 4.476 20 5 EIBDLO C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000030152296 1042492706 /nfs/dbraw/zinc/49/27/06/1042492706.db2.gz SSKXHXCTPVDXJM-SUMWQHHRSA-N 1 2 326.396 4.476 20 5 EIBDLO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000506710906 1042799170 /nfs/dbraw/zinc/79/91/70/1042799170.db2.gz KXHAGUMPMFCTCG-SFHVURJKSA-N 1 2 342.395 4.036 20 5 EIBDLO CCOc1ccc([C@@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000506710906 1042799179 /nfs/dbraw/zinc/79/91/79/1042799179.db2.gz KXHAGUMPMFCTCG-SFHVURJKSA-N 1 2 342.395 4.036 20 5 EIBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(C(F)(F)F)c1 ZINC000054176482 1042856632 /nfs/dbraw/zinc/85/66/32/1042856632.db2.gz HXJZTWDFDCCUCY-UHFFFAOYSA-N 1 2 330.331 4.307 20 5 EIBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(C(F)(F)F)c1 ZINC000054176482 1042856634 /nfs/dbraw/zinc/85/66/34/1042856634.db2.gz HXJZTWDFDCCUCY-UHFFFAOYSA-N 1 2 330.331 4.307 20 5 EIBDLO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237177768 1042873752 /nfs/dbraw/zinc/87/37/52/1042873752.db2.gz SWUOBVIFYOEQOD-SNVBAGLBSA-N 1 2 338.766 4.247 20 5 EIBDLO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc2ncsc2c1 ZINC000509157565 1043094518 /nfs/dbraw/zinc/09/45/18/1043094518.db2.gz VCRMOQRPBSPZFE-VIFPVBQESA-N 1 2 349.362 4.334 20 5 EIBDLO O=[N+]([O-])c1cc(COc2ccccc2-n2cc[nH+]c2)ccc1Cl ZINC000761733375 1044336236 /nfs/dbraw/zinc/33/62/36/1044336236.db2.gz NRDVGQXQGSACTM-UHFFFAOYSA-N 1 2 329.743 4.013 20 5 EIBDLO CC(C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)c(F)c1 ZINC000508965314 1044845055 /nfs/dbraw/zinc/84/50/55/1044845055.db2.gz RXXGZHYENYZGPQ-UHFFFAOYSA-N 1 2 342.292 4.176 20 5 EIBDLO C[C@@H]1SCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000735673458 1044856145 /nfs/dbraw/zinc/85/61/45/1044856145.db2.gz BRWLEFBUEZXQMP-UGSOOPFHSA-N 1 2 346.427 4.413 20 5 EIBDLO C[C@@H]1SCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000735673458 1044856147 /nfs/dbraw/zinc/85/61/47/1044856147.db2.gz BRWLEFBUEZXQMP-UGSOOPFHSA-N 1 2 346.427 4.413 20 5 EIBDLO C[C@H]1SCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000735673451 1044856430 /nfs/dbraw/zinc/85/64/30/1044856430.db2.gz BRWLEFBUEZXQMP-ACJLOTCBSA-N 1 2 346.427 4.413 20 5 EIBDLO C[C@H]1SCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000735673451 1044856434 /nfs/dbraw/zinc/85/64/34/1044856434.db2.gz BRWLEFBUEZXQMP-ACJLOTCBSA-N 1 2 346.427 4.413 20 5 EIBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CCN(c2cccc[nH+]2)CC1 ZINC000302661971 1045189652 /nfs/dbraw/zinc/18/96/52/1045189652.db2.gz IMTWDOYZSRIDRN-UHFFFAOYSA-N 1 2 346.818 4.033 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)cc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000791407930 1045735637 /nfs/dbraw/zinc/73/56/37/1045735637.db2.gz MQINCLGOVMAZOD-UHFFFAOYSA-N 1 2 346.818 4.246 20 5 EIBDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000154719556 1047441866 /nfs/dbraw/zinc/44/18/66/1047441866.db2.gz ZXZLXOKEHRYFHB-INIZCTEOSA-N 1 2 331.803 4.289 20 5 EIBDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000154719556 1047441870 /nfs/dbraw/zinc/44/18/70/1047441870.db2.gz ZXZLXOKEHRYFHB-INIZCTEOSA-N 1 2 331.803 4.289 20 5 EIBDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000154719664 1047442216 /nfs/dbraw/zinc/44/22/16/1047442216.db2.gz ZXZLXOKEHRYFHB-MRXNPFEDSA-N 1 2 331.803 4.289 20 5 EIBDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000154719664 1047442224 /nfs/dbraw/zinc/44/22/24/1047442224.db2.gz ZXZLXOKEHRYFHB-MRXNPFEDSA-N 1 2 331.803 4.289 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000814361467 1048005596 /nfs/dbraw/zinc/00/55/96/1048005596.db2.gz UGEQKXKULOELKX-UHFFFAOYSA-N 1 2 328.759 4.046 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)c(F)c1 ZINC000773652297 1050202053 /nfs/dbraw/zinc/20/20/53/1050202053.db2.gz NBWLJZRVFJZKRR-UHFFFAOYSA-N 1 2 347.777 4.072 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)c(F)c1 ZINC000773652297 1050202065 /nfs/dbraw/zinc/20/20/65/1050202065.db2.gz NBWLJZRVFJZKRR-UHFFFAOYSA-N 1 2 347.777 4.072 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2nc3cc(F)ccc3o2)cc1[N+](=O)[O-] ZINC000181819455 1050342328 /nfs/dbraw/zinc/34/23/28/1050342328.db2.gz GLGZJMIWPFDDJM-NSHDSACASA-N 1 2 329.331 4.034 20 5 EIBDLO CCNc1ccc(Nc2cccc(C(F)(F)F)c2[N+](=O)[O-])c[nH+]1 ZINC001187921366 1050648698 /nfs/dbraw/zinc/64/86/98/1050648698.db2.gz SFXSRTLRVWTNSD-UHFFFAOYSA-N 1 2 326.278 4.184 20 5 EIBDLO C[N@H+](Cc1csc(C(F)(F)F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001180011273 1050854899 /nfs/dbraw/zinc/85/48/99/1050854899.db2.gz LAEHNSLYBFBQDE-UHFFFAOYSA-N 1 2 330.331 4.307 20 5 EIBDLO C[N@@H+](Cc1csc(C(F)(F)F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001180011273 1050854903 /nfs/dbraw/zinc/85/49/03/1050854903.db2.gz LAEHNSLYBFBQDE-UHFFFAOYSA-N 1 2 330.331 4.307 20 5 EIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)ccc1Cl ZINC001193827861 1052006891 /nfs/dbraw/zinc/00/68/91/1052006891.db2.gz OWEDNRRZLTXYJE-KRWDZBQOSA-N 1 2 334.778 4.319 20 5 EIBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)ccc1Cl ZINC001193827861 1052006898 /nfs/dbraw/zinc/00/68/98/1052006898.db2.gz OWEDNRRZLTXYJE-KRWDZBQOSA-N 1 2 334.778 4.319 20 5 EIBDLO Cc1c(CNc2ccc(-n3cc[nH+]c3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000864008568 1053131847 /nfs/dbraw/zinc/13/18/47/1053131847.db2.gz AQCKPMHUONXIKB-UHFFFAOYSA-N 1 2 342.786 4.354 20 5 EIBDLO O=[N+]([O-])c1ccc(NCc2c(Cl)cccc2-n2cc[nH+]c2)c(F)c1 ZINC000864019205 1053149967 /nfs/dbraw/zinc/14/99/67/1053149967.db2.gz UQRSAFFOFRVNTH-UHFFFAOYSA-N 1 2 346.749 4.185 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2c(Cl)cncc2Cl)cc1[N+](=O)[O-] ZINC000865485411 1053521673 /nfs/dbraw/zinc/52/16/73/1053521673.db2.gz RBGAFOHAAKWHCF-JTQLQIEISA-N 1 2 340.210 4.456 20 5 EIBDLO CC(C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC001196488943 1053680459 /nfs/dbraw/zinc/68/04/59/1053680459.db2.gz HRBXXBZTDNASDK-UHFFFAOYSA-N 1 2 345.399 4.369 20 5 EIBDLO CC(C)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC001196605874 1053706895 /nfs/dbraw/zinc/70/68/95/1053706895.db2.gz QVWBXYJHMCCPND-UHFFFAOYSA-N 1 2 336.391 4.479 20 5 EIBDLO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872017767 1054330971 /nfs/dbraw/zinc/33/09/71/1054330971.db2.gz DPJGPZRQTRDUDR-NEPJUHHUSA-N 1 2 348.374 4.163 20 5 EIBDLO CC(C)COC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000173369612 1054353714 /nfs/dbraw/zinc/35/37/14/1054353714.db2.gz LBSDYYHBUAPOCO-WMLDXEAASA-N 1 2 332.400 4.252 20 5 EIBDLO C[C@H]([NH2+]Cc1ccc(OC(C)(C)C)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872060572 1054370128 /nfs/dbraw/zinc/37/01/28/1054370128.db2.gz RIDOCDVUZOQJMZ-LBPRGKRZSA-N 1 2 347.390 4.157 20 5 EIBDLO CCC[C@H]([NH2+]Cc1ncc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000872114694 1054394624 /nfs/dbraw/zinc/39/46/24/1054394624.db2.gz ANQVVHXKWYIWME-LBPRGKRZSA-N 1 2 325.821 4.336 20 5 EIBDLO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)s1 ZINC001200941735 1054596981 /nfs/dbraw/zinc/59/69/81/1054596981.db2.gz IZRCAFGGIXBOBO-GFCCVEGCSA-N 1 2 343.408 4.471 20 5 EIBDLO CC(C)(C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000553370767 1055428317 /nfs/dbraw/zinc/42/83/17/1055428317.db2.gz JOQDGABRRHQNBA-QGZVFWFLSA-N 1 2 332.375 4.317 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC001169745163 1060925166 /nfs/dbraw/zinc/92/51/66/1060925166.db2.gz OIEFIOVNWHTPTJ-QGZVFWFLSA-N 1 2 334.778 4.319 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@](F)(c3ccccc3)C2)c1 ZINC001169745163 1060925187 /nfs/dbraw/zinc/92/51/87/1060925187.db2.gz OIEFIOVNWHTPTJ-QGZVFWFLSA-N 1 2 334.778 4.319 20 5 EIBDLO CCOc1ccc([C@H](C)[NH2+]Cc2nc(C(C)C)cs2)cc1[N+](=O)[O-] ZINC000154280824 1019703659 /nfs/dbraw/zinc/70/36/59/1019703659.db2.gz COTBOENFRJKQPY-LBPRGKRZSA-N 1 2 349.456 4.424 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)c(NCc2ccn3cc[nH+]c3c2)c(Cl)c1 ZINC000500739971 1032851234 /nfs/dbraw/zinc/85/12/34/1032851234.db2.gz XKATXWWRZGEOFA-UHFFFAOYSA-N 1 2 337.166 4.161 20 5 EIBDLO Cc1ccc2[nH+]cc(/C=C/c3ccc4cc([N+](=O)[O-])ccc4n3)n2c1 ZINC000471473237 1021126003 /nfs/dbraw/zinc/12/60/03/1021126003.db2.gz TYRTWBGTWROVTH-AATRIKPKSA-N 1 2 330.347 4.270 20 5 EIBDLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1cccc([N+](=O)[O-])c1 ZINC000180416810 1022631169 /nfs/dbraw/zinc/63/11/69/1022631169.db2.gz RJGBJHGRNGNDTD-GFCCVEGCSA-N 1 2 341.342 4.240 20 5 EIBDLO C[C@@H]([NH2+]Cc1csc(-c2ccoc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180437453 1022659914 /nfs/dbraw/zinc/65/99/14/1022659914.db2.gz OTFRFPRYBBVWJB-LLVKDONJSA-N 1 2 329.381 4.162 20 5 EIBDLO O=[N+]([O-])c1ccc(N2CCC(CCCn3cc[nH+]c3)CC2)c(Cl)c1 ZINC000782979875 1023249214 /nfs/dbraw/zinc/24/92/14/1023249214.db2.gz QAMQSRXSFYMMAH-UHFFFAOYSA-N 1 2 348.834 4.142 20 5 EIBDLO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000511829803 1023918324 /nfs/dbraw/zinc/91/83/24/1023918324.db2.gz MCRWZCZNWVNDQP-BPJIUIAASA-N 1 2 338.407 4.070 20 5 EIBDLO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000511829803 1023918329 /nfs/dbraw/zinc/91/83/29/1023918329.db2.gz MCRWZCZNWVNDQP-BPJIUIAASA-N 1 2 338.407 4.070 20 5 EIBDLO C[C@H](c1ccccc1F)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581253 1024117665 /nfs/dbraw/zinc/11/76/65/1024117665.db2.gz RSGAFVHKELJXQU-LLVKDONJSA-N 1 2 329.331 4.068 20 5 EIBDLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581253 1024117710 /nfs/dbraw/zinc/11/77/10/1024117710.db2.gz RSGAFVHKELJXQU-LLVKDONJSA-N 1 2 329.331 4.068 20 5 EIBDLO CCn1ccnc1[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000430874346 1024152305 /nfs/dbraw/zinc/15/23/05/1024152305.db2.gz ZLEZPEGZBLKPLF-YPLUBFQTSA-N 1 2 340.427 4.052 20 5 EIBDLO CCn1ccnc1[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000430874346 1024152314 /nfs/dbraw/zinc/15/23/14/1024152314.db2.gz ZLEZPEGZBLKPLF-YPLUBFQTSA-N 1 2 340.427 4.052 20 5 EIBDLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1c(F)cccc1[N+](=O)[O-])CCC2 ZINC000111312294 1024364772 /nfs/dbraw/zinc/36/47/72/1024364772.db2.gz JHDUCVOIBUNERA-OAHLLOKOSA-N 1 2 335.404 4.008 20 5 EIBDLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-])CCC2 ZINC000111312294 1024364791 /nfs/dbraw/zinc/36/47/91/1024364791.db2.gz JHDUCVOIBUNERA-OAHLLOKOSA-N 1 2 335.404 4.008 20 5 EIBDLO CSc1ccc([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cc1 ZINC000510747396 1024388553 /nfs/dbraw/zinc/38/85/53/1024388553.db2.gz DMPJLDJTNREMIU-SNVBAGLBSA-N 1 2 338.379 4.446 20 5 EIBDLO Cc1cc(C)c(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)c[nH+]1 ZINC000396977399 1025317326 /nfs/dbraw/zinc/31/73/26/1025317326.db2.gz LCYUIDBXKVRGQL-UHFFFAOYSA-N 1 2 325.290 4.238 20 5 EIBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1nc2ccccc2s1 ZINC000506721238 1025472645 /nfs/dbraw/zinc/47/26/45/1025472645.db2.gz XVFDUHWQSVHABZ-VURMDHGXSA-N 1 2 339.420 4.350 20 5 EIBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1nc2ccccc2s1 ZINC000506721238 1025472659 /nfs/dbraw/zinc/47/26/59/1025472659.db2.gz XVFDUHWQSVHABZ-VURMDHGXSA-N 1 2 339.420 4.350 20 5 EIBDLO C[C@H]([NH2+]Cc1cscc1Br)c1ccccc1[N+](=O)[O-] ZINC000511994276 1025587502 /nfs/dbraw/zinc/58/75/02/1025587502.db2.gz ZTTVKXVXXBYBLB-VIFPVBQESA-N 1 2 341.230 4.270 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000548597830 1025683832 /nfs/dbraw/zinc/68/38/32/1025683832.db2.gz YCUSCVITWFVTEV-ZDUSSCGKSA-N 1 2 347.415 4.057 20 5 EIBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(Cl)c(F)c1 ZINC000127630715 1026601164 /nfs/dbraw/zinc/60/11/64/1026601164.db2.gz DBQGNXOJROUBOV-UHFFFAOYSA-N 1 2 349.749 4.161 20 5 EIBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(Cl)c(F)c1 ZINC000127630715 1026601184 /nfs/dbraw/zinc/60/11/84/1026601184.db2.gz DBQGNXOJROUBOV-UHFFFAOYSA-N 1 2 349.749 4.161 20 5 EIBDLO CC(C)Cc1ncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000507170862 1026683761 /nfs/dbraw/zinc/68/37/61/1026683761.db2.gz QZWJERSGXKSUSE-UHFFFAOYSA-N 1 2 345.468 4.414 20 5 EIBDLO CC(C)Cc1ncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000507170862 1026683769 /nfs/dbraw/zinc/68/37/69/1026683769.db2.gz QZWJERSGXKSUSE-UHFFFAOYSA-N 1 2 345.468 4.414 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000178728920 1027775123 /nfs/dbraw/zinc/77/51/23/1027775123.db2.gz NTVKOWACTHMLNM-SNVBAGLBSA-N 1 2 338.766 4.247 20 5 EIBDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000441444261 1027988461 /nfs/dbraw/zinc/98/84/61/1027988461.db2.gz GLPOWXCNSBCRHZ-OXJNMPFZSA-N 1 2 340.423 4.174 20 5 EIBDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])[C@@H](C)CO2)c1 ZINC000441444261 1027988476 /nfs/dbraw/zinc/98/84/76/1027988476.db2.gz GLPOWXCNSBCRHZ-OXJNMPFZSA-N 1 2 340.423 4.174 20 5 EIBDLO Cc1cn2c([nH+]1)[C@H](CNc1c(C)cc([N+](=O)[O-])cc1Cl)CCC2 ZINC000444826298 1028091687 /nfs/dbraw/zinc/09/16/87/1028091687.db2.gz LURBWWIZSAUKNC-LBPRGKRZSA-N 1 2 334.807 4.051 20 5 EIBDLO Cc1c(C[N@@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)cccc1[N+](=O)[O-] ZINC000451461737 1030511298 /nfs/dbraw/zinc/51/12/98/1030511298.db2.gz SRQWWGQNELIBBS-SFHVURJKSA-N 1 2 336.395 4.117 20 5 EIBDLO Cc1c(C[N@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)cccc1[N+](=O)[O-] ZINC000451461737 1030511316 /nfs/dbraw/zinc/51/13/16/1030511316.db2.gz SRQWWGQNELIBBS-SFHVURJKSA-N 1 2 336.395 4.117 20 5 EIBDLO CCOc1ccccc1[C@@H](CC)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000179747188 1031281817 /nfs/dbraw/zinc/28/18/17/1031281817.db2.gz PTNSURGXUPJBIG-MRXNPFEDSA-N 1 2 332.375 4.374 20 5 EIBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(OC(F)(F)F)c1 ZINC000531842587 1031691134 /nfs/dbraw/zinc/69/11/34/1031691134.db2.gz JMCNSAKXFLCDOW-UHFFFAOYSA-N 1 2 346.330 4.187 20 5 EIBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(OC(F)(F)F)c1 ZINC000531842587 1031691139 /nfs/dbraw/zinc/69/11/39/1031691139.db2.gz JMCNSAKXFLCDOW-UHFFFAOYSA-N 1 2 346.330 4.187 20 5 EIBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ncc(Cl)s3)C2)cc1 ZINC000449498310 1031807350 /nfs/dbraw/zinc/80/73/50/1031807350.db2.gz KCGLHZZYDRNWBN-GFCCVEGCSA-N 1 2 337.832 4.084 20 5 EIBDLO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3ncc(Cl)s3)C2)cc1 ZINC000449498310 1031807357 /nfs/dbraw/zinc/80/73/57/1031807357.db2.gz KCGLHZZYDRNWBN-GFCCVEGCSA-N 1 2 337.832 4.084 20 5 EIBDLO Cc1noc(C[NH2+][C@H](C)c2ccc(SC(C)C)cc2)c1[N+](=O)[O-] ZINC000595414306 1035674023 /nfs/dbraw/zinc/67/40/23/1035674023.db2.gz HDEGUUVJFWZYHA-LLVKDONJSA-N 1 2 335.429 4.243 20 5 EIBDLO COc1cccc(C2([NH2+]Cc3c(F)cc([N+](=O)[O-])cc3F)CCC2)c1 ZINC000595847101 1035799160 /nfs/dbraw/zinc/79/91/60/1035799160.db2.gz FKEJAPHMOHLSDD-UHFFFAOYSA-N 1 2 348.349 4.051 20 5 EIBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000513753585 1036598922 /nfs/dbraw/zinc/59/89/22/1036598922.db2.gz DJNVZDZQCRCXIE-BPJIUIAASA-N 1 2 338.407 4.070 20 5 EIBDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000513753585 1036598947 /nfs/dbraw/zinc/59/89/47/1036598947.db2.gz DJNVZDZQCRCXIE-BPJIUIAASA-N 1 2 338.407 4.070 20 5 EIBDLO CC[C@H](c1cccc(OC)c1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000588972369 1036628354 /nfs/dbraw/zinc/62/83/54/1036628354.db2.gz CCDUDBUKZWZEPK-QGZVFWFLSA-N 1 2 332.375 4.326 20 5 EIBDLO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000588972369 1036628361 /nfs/dbraw/zinc/62/83/61/1036628361.db2.gz CCDUDBUKZWZEPK-QGZVFWFLSA-N 1 2 332.375 4.326 20 5 EIBDLO COc1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1[N+](=O)[O-] ZINC000603855210 1037051076 /nfs/dbraw/zinc/05/10/76/1037051076.db2.gz FZVAGWQBLXJCID-UHFFFAOYSA-N 1 2 348.349 4.046 20 5 EIBDLO COc1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc1[N+](=O)[O-] ZINC000603855210 1037051095 /nfs/dbraw/zinc/05/10/95/1037051095.db2.gz FZVAGWQBLXJCID-UHFFFAOYSA-N 1 2 348.349 4.046 20 5 EIBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000574059095 1037929823 /nfs/dbraw/zinc/92/98/23/1037929823.db2.gz XKEBKFMAIVXZQD-NSHDSACASA-N 1 2 326.805 4.256 20 5 EIBDLO CCc1ccc([C@H]([NH2+][C@H]2CCC[C@H]2F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000550933991 1039830448 /nfs/dbraw/zinc/83/04/48/1039830448.db2.gz QERGIUDKLKFCMM-SOLBZPMBSA-N 1 2 332.375 4.320 20 5 EIBDLO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccc(F)cc1 ZINC000089882895 1040493537 /nfs/dbraw/zinc/49/35/37/1040493537.db2.gz ONYQQXZSJBUXOI-UHFFFAOYSA-N 1 2 341.342 4.021 20 5 EIBDLO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccc(F)cc1 ZINC000089882895 1040493543 /nfs/dbraw/zinc/49/35/43/1040493543.db2.gz ONYQQXZSJBUXOI-UHFFFAOYSA-N 1 2 341.342 4.021 20 5 EIBDLO Cc1c([C@@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)cccc1[N+](=O)[O-] ZINC000539626572 1040626616 /nfs/dbraw/zinc/62/66/16/1040626616.db2.gz ANXFEPVFCBZLBU-OAHLLOKOSA-N 1 2 340.427 4.462 20 5 EIBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000506279691 1042244211 /nfs/dbraw/zinc/24/42/11/1042244211.db2.gz GESQKQUOYZXIJQ-FNORWQNLSA-N 1 2 333.391 4.148 20 5 EIBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000506279691 1042244215 /nfs/dbraw/zinc/24/42/15/1042244215.db2.gz GESQKQUOYZXIJQ-FNORWQNLSA-N 1 2 333.391 4.148 20 5 EIBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1C(F)(F)F ZINC000054173520 1042512414 /nfs/dbraw/zinc/51/24/14/1042512414.db2.gz IYPJJFSOWZOEIB-UHFFFAOYSA-N 1 2 330.331 4.307 20 5 EIBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1C(F)(F)F ZINC000054173520 1042512424 /nfs/dbraw/zinc/51/24/24/1042512424.db2.gz IYPJJFSOWZOEIB-UHFFFAOYSA-N 1 2 330.331 4.307 20 5 EIBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493002602 1042787810 /nfs/dbraw/zinc/78/78/10/1042787810.db2.gz JIADAXCDCDTPQE-KRWDZBQOSA-N 1 2 333.819 4.314 20 5 EIBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493002602 1042787816 /nfs/dbraw/zinc/78/78/16/1042787816.db2.gz JIADAXCDCDTPQE-KRWDZBQOSA-N 1 2 333.819 4.314 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccs2)no1)c1cccc([N+](=O)[O-])c1 ZINC000079309265 1043885272 /nfs/dbraw/zinc/88/52/72/1043885272.db2.gz MWQXAFLATZCLSQ-MNOVXSKESA-N 1 2 344.396 4.118 20 5 EIBDLO CCOc1ccccc1[C@@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494804469 1044309449 /nfs/dbraw/zinc/30/94/49/1044309449.db2.gz CXKCKNGOJRTUJJ-GFCCVEGCSA-N 1 2 334.803 4.498 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246631574 1044340556 /nfs/dbraw/zinc/34/05/56/1044340556.db2.gz WDSIKFKYQSZXFR-PBFPGSCMSA-N 1 2 332.425 4.179 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000246631574 1044340565 /nfs/dbraw/zinc/34/05/65/1044340565.db2.gz WDSIKFKYQSZXFR-PBFPGSCMSA-N 1 2 332.425 4.179 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000734834937 1044695243 /nfs/dbraw/zinc/69/52/43/1044695243.db2.gz DBNVOJDGABPSSH-UHFFFAOYSA-N 1 2 346.814 4.292 20 5 EIBDLO C[C@H]([NH2+]Cc1nc2ccc(F)cc2s1)c1ccccc1[N+](=O)[O-] ZINC000428860355 1044744916 /nfs/dbraw/zinc/74/49/16/1044744916.db2.gz GLZQEPYTVXUSQH-JTQLQIEISA-N 1 2 331.372 4.194 20 5 EIBDLO COCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C)o1 ZINC000272265268 1045033226 /nfs/dbraw/zinc/03/32/26/1045033226.db2.gz JVWDPIRZLXDUJV-HNNXBMFYSA-N 1 2 338.791 4.017 20 5 EIBDLO O=[N+]([O-])c1ccc(/C(=C\c2cccc3[nH+]ccn32)c2ccncc2)cc1 ZINC000255207029 1046064344 /nfs/dbraw/zinc/06/43/44/1046064344.db2.gz BVOLYRFSUVSDSQ-XMHGGMMESA-N 1 2 342.358 4.226 20 5 EIBDLO C[N@@H+](Cc1ccc2cnccc2c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000787073518 1046901006 /nfs/dbraw/zinc/90/10/06/1046901006.db2.gz TXERLHMVAKZDPF-UHFFFAOYSA-N 1 2 341.798 4.428 20 5 EIBDLO C[N@H+](Cc1ccc2cnccc2c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000787073518 1046900983 /nfs/dbraw/zinc/90/09/83/1046900983.db2.gz TXERLHMVAKZDPF-UHFFFAOYSA-N 1 2 341.798 4.428 20 5 EIBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746673741 1046985576 /nfs/dbraw/zinc/98/55/76/1046985576.db2.gz ZSTLLKRGLOGZSW-KRWDZBQOSA-N 1 2 333.819 4.314 20 5 EIBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746673741 1046985597 /nfs/dbraw/zinc/98/55/97/1046985597.db2.gz ZSTLLKRGLOGZSW-KRWDZBQOSA-N 1 2 333.819 4.314 20 5 EIBDLO CCOc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000788458630 1047192671 /nfs/dbraw/zinc/19/26/71/1047192671.db2.gz BRZMECIYGOUWCV-UHFFFAOYSA-N 1 2 334.803 4.279 20 5 EIBDLO CCOc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000788458630 1047192682 /nfs/dbraw/zinc/19/26/82/1047192682.db2.gz BRZMECIYGOUWCV-UHFFFAOYSA-N 1 2 334.803 4.279 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000537533672 1047675230 /nfs/dbraw/zinc/67/52/30/1047675230.db2.gz MRHWKJPBOHAHSC-ZDUSSCGKSA-N 1 2 340.358 4.401 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000217381741 1048339486 /nfs/dbraw/zinc/33/94/86/1048339486.db2.gz XPOQBEJQJSFAPD-LLVKDONJSA-N 1 2 349.774 4.349 20 5 EIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000217381741 1048339504 /nfs/dbraw/zinc/33/95/04/1048339504.db2.gz XPOQBEJQJSFAPD-LLVKDONJSA-N 1 2 349.774 4.349 20 5 EIBDLO Cc1cccn2c(/C=C\c3nc4cc([N+](=O)[O-])ccc4s3)c[nH+]c12 ZINC000610167185 1049562834 /nfs/dbraw/zinc/56/28/34/1049562834.db2.gz RHYPEJNIYMIMDC-ALCCZGGFSA-N 1 2 336.376 4.331 20 5 EIBDLO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1cc(F)ccc1F ZINC000179786819 1049759809 /nfs/dbraw/zinc/75/98/09/1049759809.db2.gz QXNQWIRCZHLFQZ-CQSZACIVSA-N 1 2 347.321 4.255 20 5 EIBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])cc1F ZINC001171835082 1049811127 /nfs/dbraw/zinc/81/11/27/1049811127.db2.gz SZZLVPSOUXBVMR-INIZCTEOSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])cc1F ZINC001171835082 1049811128 /nfs/dbraw/zinc/81/11/28/1049811128.db2.gz SZZLVPSOUXBVMR-INIZCTEOSA-N 1 2 348.349 4.219 20 5 EIBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(c2ccc(F)cc2F)CCC1 ZINC000179990512 1049814429 /nfs/dbraw/zinc/81/44/29/1049814429.db2.gz UAEJNTUCVLZBKG-UHFFFAOYSA-N 1 2 336.313 4.181 20 5 EIBDLO CC[C@@H](Nc1nc2ccccc2n2c[nH+]cc12)c1cccc([N+](=O)[O-])c1 ZINC001185827802 1050165998 /nfs/dbraw/zinc/16/59/98/1050165998.db2.gz OPZCISDOYHUFRA-OAHLLOKOSA-N 1 2 347.378 4.354 20 5 EIBDLO C[C@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1cccc([N+](=O)[O-])c1 ZINC000775191358 1050831398 /nfs/dbraw/zinc/83/13/98/1050831398.db2.gz GTDUSUHDCYIURT-ZETCQYMHSA-N 1 2 346.255 4.141 20 5 EIBDLO COc1ccc(Nc2ccc([NH+]3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC001176362267 1052037586 /nfs/dbraw/zinc/03/75/86/1052037586.db2.gz ASWGBLPJGKGBSP-UHFFFAOYSA-N 1 2 327.384 4.337 20 5 EIBDLO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1nccs1 ZINC000185086819 1052401701 /nfs/dbraw/zinc/40/17/01/1052401701.db2.gz XIIYAPPPHKBCKJ-AWEZNQCLSA-N 1 2 335.429 4.079 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000864002034 1053120363 /nfs/dbraw/zinc/12/03/63/1053120363.db2.gz CBDJZNVJVLJNPA-UHFFFAOYSA-N 1 2 328.759 4.046 20 5 EIBDLO CC[C@H]([NH2+][C@H]1c2ccccc2OC[C@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000866282961 1053676685 /nfs/dbraw/zinc/67/66/85/1053676685.db2.gz SYVNNLMTFUOSIW-RYRKJORJSA-N 1 2 330.359 4.107 20 5 EIBDLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775866313 1054178052 /nfs/dbraw/zinc/17/80/52/1054178052.db2.gz FNPZMCZXBFFWEL-SKDRFNHKSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775866313 1054178060 /nfs/dbraw/zinc/17/80/60/1054178060.db2.gz FNPZMCZXBFFWEL-SKDRFNHKSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000872053371 1054364300 /nfs/dbraw/zinc/36/43/00/1054364300.db2.gz JGEFXKPPQLRGLT-GHMZBOCLSA-N 1 2 333.319 4.054 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1nc2ccccc2s1 ZINC000765765565 1054433537 /nfs/dbraw/zinc/43/35/37/1054433537.db2.gz GUDQBHQHHLXBKA-LLVKDONJSA-N 1 2 343.408 4.064 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC001169553731 1060855003 /nfs/dbraw/zinc/85/50/03/1060855003.db2.gz DMGZWLHHZXLAOI-LPHOPBHVSA-N 1 2 340.423 4.192 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000533078769 1032478112 /nfs/dbraw/zinc/47/81/12/1032478112.db2.gz RTQGNSJVMBFGLZ-KRWDZBQOSA-N 1 2 337.379 4.463 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@H]2c2nc3ccccc3o2)c1 ZINC000533078769 1032478120 /nfs/dbraw/zinc/47/81/20/1032478120.db2.gz RTQGNSJVMBFGLZ-KRWDZBQOSA-N 1 2 337.379 4.463 20 5 EIBDLO Cc1ccccc1[C@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000610217570 1019422966 /nfs/dbraw/zinc/42/29/66/1019422966.db2.gz JADHLEBTZIACDL-DNVCBOLYSA-N 1 2 326.396 4.038 20 5 EIBDLO Cc1ccccc1[C@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000610217570 1019422988 /nfs/dbraw/zinc/42/29/88/1019422988.db2.gz JADHLEBTZIACDL-DNVCBOLYSA-N 1 2 326.396 4.038 20 5 EIBDLO O=[N+]([O-])c1ccc(/C(=C/c2cccc3[nH+]ccn32)c2ccncc2)cc1 ZINC000180310977 1022496014 /nfs/dbraw/zinc/49/60/14/1022496014.db2.gz BVOLYRFSUVSDSQ-RGEXLXHISA-N 1 2 342.358 4.226 20 5 EIBDLO O=[N+]([O-])c1cccc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)c1 ZINC000378275228 1022619533 /nfs/dbraw/zinc/61/95/33/1022619533.db2.gz VSXFARZEAAEZIG-UHFFFAOYSA-N 1 2 346.390 4.122 20 5 EIBDLO CCSc1ccc([C@@H](C)[NH2+]Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000584543118 1023568124 /nfs/dbraw/zinc/56/81/24/1023568124.db2.gz WCIILIVGOMTESW-GFCCVEGCSA-N 1 2 332.425 4.263 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3c3cccc(F)c3)nc2c1 ZINC000610581146 1024114622 /nfs/dbraw/zinc/11/46/22/1024114622.db2.gz CAKVBNXWWMCUBF-MRXNPFEDSA-N 1 2 341.342 4.212 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H]3c3cccc(F)c3)nc2c1 ZINC000610581146 1024114634 /nfs/dbraw/zinc/11/46/34/1024114634.db2.gz CAKVBNXWWMCUBF-MRXNPFEDSA-N 1 2 341.342 4.212 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1 ZINC000178384565 1024531926 /nfs/dbraw/zinc/53/19/26/1024531926.db2.gz KUXYZRGKTWHOPX-QWHCGFSZSA-N 1 2 338.367 4.057 20 5 EIBDLO CC[C@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000178461100 1025133005 /nfs/dbraw/zinc/13/30/05/1025133005.db2.gz IBMNUSOQXOOGMH-KRWDZBQOSA-N 1 2 336.395 4.087 20 5 EIBDLO CC(C)Cc1ncc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000507154189 1026676145 /nfs/dbraw/zinc/67/61/45/1026676145.db2.gz IEWZFEFFKZGKJK-UHFFFAOYSA-N 1 2 345.468 4.414 20 5 EIBDLO CC(C)Cc1ncc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)s1 ZINC000507154189 1026676150 /nfs/dbraw/zinc/67/61/50/1026676150.db2.gz IEWZFEFFKZGKJK-UHFFFAOYSA-N 1 2 345.468 4.414 20 5 EIBDLO CC(C)c1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccccn21 ZINC000582126732 1027311261 /nfs/dbraw/zinc/31/12/61/1027311261.db2.gz QJEZOZWZZKJUNR-AWEZNQCLSA-N 1 2 338.411 4.217 20 5 EIBDLO CC[C@H](C)COc1cc([N+](=O)[O-])c(COc2cc[nH+]cc2)cc1OC ZINC000431507562 1027728903 /nfs/dbraw/zinc/72/89/03/1027728903.db2.gz UGJAJEDPTLGEOV-ZDUSSCGKSA-N 1 2 346.383 4.002 20 5 EIBDLO Cc1ccc(C)c([C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000441444263 1027985325 /nfs/dbraw/zinc/98/53/25/1027985325.db2.gz GLPOWXCNSBCRHZ-OXQOHEQNSA-N 1 2 340.423 4.174 20 5 EIBDLO Cc1ccc(C)c([C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])[C@H](C)CO2)c1 ZINC000441444263 1027985339 /nfs/dbraw/zinc/98/53/39/1027985339.db2.gz GLPOWXCNSBCRHZ-OXQOHEQNSA-N 1 2 340.423 4.174 20 5 EIBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]3c3ccccc3)co2)cc1 ZINC000536347837 1028066670 /nfs/dbraw/zinc/06/66/70/1028066670.db2.gz FVCSKPKVFFQBPG-SFHVURJKSA-N 1 2 335.363 4.197 20 5 EIBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H]3c3ccccc3)co2)cc1 ZINC000536347837 1028066692 /nfs/dbraw/zinc/06/66/92/1028066692.db2.gz FVCSKPKVFFQBPG-SFHVURJKSA-N 1 2 335.363 4.197 20 5 EIBDLO Cc1cn2c([nH+]1)[C@@H](CNc1c(C)cc([N+](=O)[O-])cc1Cl)CCC2 ZINC000444826296 1028092916 /nfs/dbraw/zinc/09/29/16/1028092916.db2.gz LURBWWIZSAUKNC-GFCCVEGCSA-N 1 2 334.807 4.051 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000583219323 1028274495 /nfs/dbraw/zinc/27/44/95/1028274495.db2.gz XRLKJRVLINGDBZ-QGZVFWFLSA-N 1 2 332.787 4.195 20 5 EIBDLO O=[N+]([O-])c1ccccc1CNc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000444030905 1028746023 /nfs/dbraw/zinc/74/60/23/1028746023.db2.gz KZOCDUGSXQHHKT-UHFFFAOYSA-N 1 2 348.406 4.407 20 5 EIBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000780383881 1031067080 /nfs/dbraw/zinc/06/70/80/1031067080.db2.gz CMZBJEHBFZKYGH-GXSJLCMTSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000780383881 1031067099 /nfs/dbraw/zinc/06/70/99/1031067099.db2.gz CMZBJEHBFZKYGH-GXSJLCMTSA-N 1 2 336.741 4.411 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3c2cccc3Cl)c(Cl)c1 ZINC000612185707 1031164907 /nfs/dbraw/zinc/16/49/07/1031164907.db2.gz CBEHIVZQEVJJSL-CQSZACIVSA-N 1 2 339.178 4.125 20 5 EIBDLO CCOc1ccccc1[C@H](CC)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000179747176 1031282896 /nfs/dbraw/zinc/28/28/96/1031282896.db2.gz PTNSURGXUPJBIG-INIZCTEOSA-N 1 2 332.375 4.374 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000531707297 1031491522 /nfs/dbraw/zinc/49/15/22/1031491522.db2.gz IOZQGUMQDGFSOD-ZDUSSCGKSA-N 1 2 336.395 4.006 20 5 EIBDLO CCC(CC)c1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)on1 ZINC000595027259 1035559013 /nfs/dbraw/zinc/55/90/13/1035559013.db2.gz QYEABAWIHQQGOF-GFCCVEGCSA-N 1 2 347.415 4.346 20 5 EIBDLO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595420664 1035675604 /nfs/dbraw/zinc/67/56/04/1035675604.db2.gz QBVLJPADJALVBE-OAHLLOKOSA-N 1 2 347.415 4.167 20 5 EIBDLO CC[N@H+](Cc1ccncc1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602658145 1036554941 /nfs/dbraw/zinc/55/49/41/1036554941.db2.gz BMENEXRTIABCEM-UHFFFAOYSA-N 1 2 339.317 4.031 20 5 EIBDLO CC[N@@H+](Cc1ccncc1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602658145 1036554958 /nfs/dbraw/zinc/55/49/58/1036554958.db2.gz BMENEXRTIABCEM-UHFFFAOYSA-N 1 2 339.317 4.031 20 5 EIBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000513753591 1036598304 /nfs/dbraw/zinc/59/83/04/1036598304.db2.gz DJNVZDZQCRCXIE-FATIXEFFSA-N 1 2 338.407 4.070 20 5 EIBDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000513753591 1036598309 /nfs/dbraw/zinc/59/83/09/1036598309.db2.gz DJNVZDZQCRCXIE-FATIXEFFSA-N 1 2 338.407 4.070 20 5 EIBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611554887 1043048806 /nfs/dbraw/zinc/04/88/06/1043048806.db2.gz ABCQUIQLJRTWGO-MWLCHTKSSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611554887 1043048817 /nfs/dbraw/zinc/04/88/17/1043048817.db2.gz ABCQUIQLJRTWGO-MWLCHTKSSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000079309522 1043883111 /nfs/dbraw/zinc/88/31/11/1043883111.db2.gz GPNLFOZRLAGMLZ-OLZOCXBDSA-N 1 2 338.367 4.057 20 5 EIBDLO CC(C)([NH2+]Cc1ncc(Cl)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000429259469 1044858504 /nfs/dbraw/zinc/85/85/04/1044858504.db2.gz XYPVNZGFGPNEAF-UHFFFAOYSA-N 1 2 340.210 4.322 20 5 EIBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1cc[nH+]c(N2CCCC2)c1 ZINC000302813432 1045200737 /nfs/dbraw/zinc/20/07/37/1045200737.db2.gz HRJAGLSPHQPSMM-UHFFFAOYSA-N 1 2 346.818 4.164 20 5 EIBDLO C[C@H]1CC[C@@H](c2ccccc2)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001170150979 1045713659 /nfs/dbraw/zinc/71/36/59/1045713659.db2.gz UGTHLBKUBLEBJP-KSSFIOAISA-N 1 2 326.396 4.274 20 5 EIBDLO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001170150979 1045713671 /nfs/dbraw/zinc/71/36/71/1045713671.db2.gz UGTHLBKUBLEBJP-KSSFIOAISA-N 1 2 326.396 4.274 20 5 EIBDLO C[C@@H]1CC[C@H](c2ccccc2)[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001170150980 1045714403 /nfs/dbraw/zinc/71/44/03/1045714403.db2.gz UGTHLBKUBLEBJP-RDTXWAMCSA-N 1 2 326.396 4.274 20 5 EIBDLO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC001170150980 1045714417 /nfs/dbraw/zinc/71/44/17/1045714417.db2.gz UGTHLBKUBLEBJP-RDTXWAMCSA-N 1 2 326.396 4.274 20 5 EIBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cncc2ccccc21 ZINC000768215870 1045754088 /nfs/dbraw/zinc/75/40/88/1045754088.db2.gz ZYJXXRXLRDRZIC-UHFFFAOYSA-N 1 2 341.798 4.428 20 5 EIBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cncc2ccccc21 ZINC000768215870 1045754095 /nfs/dbraw/zinc/75/40/95/1045754095.db2.gz ZYJXXRXLRDRZIC-UHFFFAOYSA-N 1 2 341.798 4.428 20 5 EIBDLO C[C@@]12CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]1C2(Cl)Cl ZINC000793616504 1046315125 /nfs/dbraw/zinc/31/51/25/1046315125.db2.gz VXGMYPZWPNUBHE-QWHCGFSZSA-N 1 2 349.645 4.264 20 5 EIBDLO C[C@@]12CC[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]1C2(Cl)Cl ZINC000793616504 1046315133 /nfs/dbraw/zinc/31/51/33/1046315133.db2.gz VXGMYPZWPNUBHE-QWHCGFSZSA-N 1 2 349.645 4.264 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cnc(C3CC3)s2)C2CC2)c1 ZINC000154297281 1046764702 /nfs/dbraw/zinc/76/47/02/1046764702.db2.gz OESCLKKKBKCRHK-UHFFFAOYSA-N 1 2 329.425 4.093 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cnc(C3CC3)s2)C2CC2)c1 ZINC000154297281 1046764717 /nfs/dbraw/zinc/76/47/17/1046764717.db2.gz OESCLKKKBKCRHK-UHFFFAOYSA-N 1 2 329.425 4.093 20 5 EIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000217213832 1048179685 /nfs/dbraw/zinc/17/96/85/1048179685.db2.gz VQFLVDXOYPNRKG-KRWDZBQOSA-N 1 2 332.400 4.024 20 5 EIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000217213832 1048179692 /nfs/dbraw/zinc/17/96/92/1048179692.db2.gz VQFLVDXOYPNRKG-KRWDZBQOSA-N 1 2 332.400 4.024 20 5 EIBDLO CC(C)CO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809953098 1048579536 /nfs/dbraw/zinc/57/95/36/1048579536.db2.gz ITQZXEFVTRHPBI-CYBMUJFWSA-N 1 2 347.242 4.149 20 5 EIBDLO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809953098 1048579544 /nfs/dbraw/zinc/57/95/44/1048579544.db2.gz ITQZXEFVTRHPBI-CYBMUJFWSA-N 1 2 347.242 4.149 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000810011053 1048601211 /nfs/dbraw/zinc/60/12/11/1048601211.db2.gz DJZNYZQANUBSPC-ZIAGYGMSSA-N 1 2 345.226 4.045 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000810011053 1048601218 /nfs/dbraw/zinc/60/12/18/1048601218.db2.gz DJZNYZQANUBSPC-ZIAGYGMSSA-N 1 2 345.226 4.045 20 5 EIBDLO Cc1cccc(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000180178804 1049856242 /nfs/dbraw/zinc/85/62/42/1049856242.db2.gz RHHSUHMWBOKZBF-HXUWFJFHSA-N 1 2 333.391 4.177 20 5 EIBDLO COc1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] ZINC001177529359 1050242186 /nfs/dbraw/zinc/24/21/86/1050242186.db2.gz QDVQAVRXDNELIA-UHFFFAOYSA-N 1 2 341.194 4.200 20 5 EIBDLO CCNc1cc(CNc2cccc(C(F)(F)F)c2[N+](=O)[O-])cc[nH+]1 ZINC001187242732 1050506660 /nfs/dbraw/zinc/50/66/60/1050506660.db2.gz MOLLKVCHFMKBIN-UHFFFAOYSA-N 1 2 340.305 4.053 20 5 EIBDLO CCc1ccc([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC001194115273 1052076067 /nfs/dbraw/zinc/07/60/67/1052076067.db2.gz AAJMTSMSJFZUJG-KRWDZBQOSA-N 1 2 340.423 4.242 20 5 EIBDLO CCc1ccc([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC001194115273 1052076071 /nfs/dbraw/zinc/07/60/71/1052076071.db2.gz AAJMTSMSJFZUJG-KRWDZBQOSA-N 1 2 340.423 4.242 20 5 EIBDLO Cc1cnc([C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)s1 ZINC000185275802 1052565090 /nfs/dbraw/zinc/56/50/90/1052565090.db2.gz ALXKCEMTIZCBIB-CQSZACIVSA-N 1 2 337.832 4.254 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(Cl)c1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000865595418 1053555098 /nfs/dbraw/zinc/55/50/98/1053555098.db2.gz ARESFESLJOAYBZ-UHFFFAOYSA-N 1 2 341.198 4.009 20 5 EIBDLO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CCc1ccccc1)C(F)F ZINC001196646102 1053714516 /nfs/dbraw/zinc/71/45/16/1053714516.db2.gz FXZQFALBSALQCC-GOSISDBHSA-N 1 2 348.393 4.336 20 5 EIBDLO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CCc1ccccc1)C(F)F ZINC001196646102 1053714526 /nfs/dbraw/zinc/71/45/26/1053714526.db2.gz FXZQFALBSALQCC-GOSISDBHSA-N 1 2 348.393 4.336 20 5 EIBDLO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775866312 1054176963 /nfs/dbraw/zinc/17/69/63/1054176963.db2.gz FNPZMCZXBFFWEL-JOYOIKCWSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000775866312 1054176974 /nfs/dbraw/zinc/17/69/74/1054176974.db2.gz FNPZMCZXBFFWEL-JOYOIKCWSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872080928 1054382491 /nfs/dbraw/zinc/38/24/91/1054382491.db2.gz ZUQQJRQBJZJKJM-GFCCVEGCSA-N 1 2 331.391 4.277 20 5 EIBDLO CCC[C@@H]([NH2+]Cc1ncc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000872114692 1054393933 /nfs/dbraw/zinc/39/39/33/1054393933.db2.gz ANQVVHXKWYIWME-GFCCVEGCSA-N 1 2 325.821 4.336 20 5 EIBDLO Cc1ccc([C@@H](CC(F)(F)F)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1 ZINC001168969543 1060562974 /nfs/dbraw/zinc/56/29/74/1060562974.db2.gz WMXIDPZSHZVDQG-CQSZACIVSA-N 1 2 339.317 4.082 20 5 EIBDLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001169714799 1060916721 /nfs/dbraw/zinc/91/67/21/1060916721.db2.gz FBLRQFIHIWOMAB-SFHVURJKSA-N 1 2 332.350 4.113 20 5 EIBDLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC001169714799 1060916733 /nfs/dbraw/zinc/91/67/33/1060916733.db2.gz FBLRQFIHIWOMAB-SFHVURJKSA-N 1 2 332.350 4.113 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000533079227 1032480585 /nfs/dbraw/zinc/48/05/85/1032480585.db2.gz MWPUAHVRXLOUQE-KRWDZBQOSA-N 1 2 337.379 4.463 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000533079227 1032480590 /nfs/dbraw/zinc/48/05/90/1032480590.db2.gz MWPUAHVRXLOUQE-KRWDZBQOSA-N 1 2 337.379 4.463 20 5 EIBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cc2ccccc2s1 ZINC000582474750 1021946628 /nfs/dbraw/zinc/94/66/28/1021946628.db2.gz BHJUZIYXWOKBKB-LLVKDONJSA-N 1 2 328.393 4.366 20 5 EIBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1(F)F ZINC000549717578 1033102907 /nfs/dbraw/zinc/10/29/07/1033102907.db2.gz AWAFHRRZFUPVPN-SECBINFHSA-N 1 2 338.276 4.091 20 5 EIBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1(F)F ZINC000549717578 1033102920 /nfs/dbraw/zinc/10/29/20/1033102920.db2.gz AWAFHRRZFUPVPN-SECBINFHSA-N 1 2 338.276 4.091 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000549508158 1023814851 /nfs/dbraw/zinc/81/48/51/1023814851.db2.gz KMXUALMOKZTQGU-HXUWFJFHSA-N 1 2 348.402 4.374 20 5 EIBDLO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000511829805 1023917753 /nfs/dbraw/zinc/91/77/53/1023917753.db2.gz MCRWZCZNWVNDQP-KLFHKAFYSA-N 1 2 338.407 4.070 20 5 EIBDLO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)O1 ZINC000511829805 1023917762 /nfs/dbraw/zinc/91/77/62/1023917762.db2.gz MCRWZCZNWVNDQP-KLFHKAFYSA-N 1 2 338.407 4.070 20 5 EIBDLO C[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](c2ccco2)C1 ZINC000610582459 1024127572 /nfs/dbraw/zinc/12/75/72/1024127572.db2.gz JQJHSKUIMHUOAJ-WFASDCNBSA-N 1 2 341.367 4.302 20 5 EIBDLO C[C@H]1CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](c2ccco2)C1 ZINC000610582459 1024127584 /nfs/dbraw/zinc/12/75/84/1024127584.db2.gz JQJHSKUIMHUOAJ-WFASDCNBSA-N 1 2 341.367 4.302 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000104674916 1024393314 /nfs/dbraw/zinc/39/33/14/1024393314.db2.gz ISKBNLXITWJKKX-QGZVFWFLSA-N 1 2 329.400 4.047 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000104674916 1024393330 /nfs/dbraw/zinc/39/33/30/1024393330.db2.gz ISKBNLXITWJKKX-QGZVFWFLSA-N 1 2 329.400 4.047 20 5 EIBDLO COc1ccc(C)cc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000507174735 1026687236 /nfs/dbraw/zinc/68/72/36/1026687236.db2.gz SKEIRGDULXTSJU-UHFFFAOYSA-N 1 2 326.396 4.076 20 5 EIBDLO COc1ccc(C)cc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000507174735 1026687242 /nfs/dbraw/zinc/68/72/42/1026687242.db2.gz SKEIRGDULXTSJU-UHFFFAOYSA-N 1 2 326.396 4.076 20 5 EIBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780378723 1028448292 /nfs/dbraw/zinc/44/82/92/1028448292.db2.gz FSCGHWPDHUWVEW-MWLCHTKSSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000780378723 1028448299 /nfs/dbraw/zinc/44/82/99/1028448299.db2.gz FSCGHWPDHUWVEW-MWLCHTKSSA-N 1 2 336.741 4.411 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000245527666 1028871080 /nfs/dbraw/zinc/87/10/80/1028871080.db2.gz QDYIVSGIFCKJNH-CXAGYDPISA-N 1 2 332.425 4.099 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000245527666 1028871087 /nfs/dbraw/zinc/87/10/87/1028871087.db2.gz QDYIVSGIFCKJNH-CXAGYDPISA-N 1 2 332.425 4.099 20 5 EIBDLO O=C(C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000121825553 1030622946 /nfs/dbraw/zinc/62/29/46/1030622946.db2.gz ZTYDDROLIBFWJF-CYBMUJFWSA-N 1 2 348.399 4.033 20 5 EIBDLO O=C(C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000121825553 1030622959 /nfs/dbraw/zinc/62/29/59/1030622959.db2.gz ZTYDDROLIBFWJF-CYBMUJFWSA-N 1 2 348.399 4.033 20 5 EIBDLO CC[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1cccc([N+](=O)[O-])c1 ZINC000612422608 1031503543 /nfs/dbraw/zinc/50/35/43/1031503543.db2.gz HJOPJUBLRIEHSW-CABCVRRESA-N 1 2 334.322 4.047 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000015549127 1034408279 /nfs/dbraw/zinc/40/82/79/1034408279.db2.gz NWOPBOYKSASJQF-LBPRGKRZSA-N 1 2 327.409 4.398 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000015549127 1034408293 /nfs/dbraw/zinc/40/82/93/1034408293.db2.gz NWOPBOYKSASJQF-LBPRGKRZSA-N 1 2 327.409 4.398 20 5 EIBDLO Cc1noc(C[N@H+](Cc2ccc3ccccc3c2)C2CC2)c1[N+](=O)[O-] ZINC000595294700 1035618024 /nfs/dbraw/zinc/61/80/24/1035618024.db2.gz BZPSWBWMTZBUSR-UHFFFAOYSA-N 1 2 337.379 4.209 20 5 EIBDLO Cc1noc(C[N@@H+](Cc2ccc3ccccc3c2)C2CC2)c1[N+](=O)[O-] ZINC000595294700 1035618032 /nfs/dbraw/zinc/61/80/32/1035618032.db2.gz BZPSWBWMTZBUSR-UHFFFAOYSA-N 1 2 337.379 4.209 20 5 EIBDLO C[N@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1ccccc1[N+](=O)[O-] ZINC000029724642 1035783667 /nfs/dbraw/zinc/78/36/67/1035783667.db2.gz KCVBXDPLMLPAHB-UHFFFAOYSA-N 1 2 341.342 4.021 20 5 EIBDLO C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)Cc1ccccc1[N+](=O)[O-] ZINC000029724642 1035783681 /nfs/dbraw/zinc/78/36/81/1035783681.db2.gz KCVBXDPLMLPAHB-UHFFFAOYSA-N 1 2 341.342 4.021 20 5 EIBDLO Cc1cc(N)nc(SCc2nc3ccccc3c3ccccc23)[nH+]1 ZINC000060980632 1036738504 /nfs/dbraw/zinc/73/85/04/1036738504.db2.gz RQMUSVAQXWGPPP-UHFFFAOYSA-N 1 2 332.432 4.361 20 5 EIBDLO COc1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)cc1[N+](=O)[O-] ZINC000599019243 1036852548 /nfs/dbraw/zinc/85/25/48/1036852548.db2.gz BOBBLNPESSCULL-UHFFFAOYSA-N 1 2 348.349 4.051 20 5 EIBDLO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000599696687 1037123306 /nfs/dbraw/zinc/12/33/06/1037123306.db2.gz FGKRXRKBUNJMIZ-UHFFFAOYSA-N 1 2 336.313 4.181 20 5 EIBDLO COc1ccc(Cl)cc1C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000487545376 1037130496 /nfs/dbraw/zinc/13/04/96/1037130496.db2.gz XZJHTTXPTGBCFQ-LBPRGKRZSA-N 1 2 334.803 4.450 20 5 EIBDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000487545376 1037130522 /nfs/dbraw/zinc/13/05/22/1037130522.db2.gz XZJHTTXPTGBCFQ-LBPRGKRZSA-N 1 2 334.803 4.450 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000490089724 1038341212 /nfs/dbraw/zinc/34/12/12/1038341212.db2.gz OQRIRLUNISBWQR-QWQRMKEZSA-N 1 2 346.452 4.488 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000490089724 1038341231 /nfs/dbraw/zinc/34/12/31/1038341231.db2.gz OQRIRLUNISBWQR-QWQRMKEZSA-N 1 2 346.452 4.488 20 5 EIBDLO C[C@H]([NH2+]Cc1c(F)cc(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1 ZINC000429780027 1039731038 /nfs/dbraw/zinc/73/10/38/1039731038.db2.gz PBGXMCCRSXBSOZ-QMMMGPOBSA-N 1 2 328.265 4.002 20 5 EIBDLO CCc1ccc([C@@H]([NH2+][C@H]2CCC[C@H]2F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000550933990 1039830902 /nfs/dbraw/zinc/83/09/02/1039830902.db2.gz QERGIUDKLKFCMM-RYRKJORJSA-N 1 2 332.375 4.320 20 5 EIBDLO Cc1ccc2[nH+]cc(/C=C/c3ccc4c(cccc4[N+](=O)[O-])n3)n2c1 ZINC000434926329 1039925511 /nfs/dbraw/zinc/92/55/11/1039925511.db2.gz LGWYCAORXLFAKS-SOFGYWHQSA-N 1 2 330.347 4.270 20 5 EIBDLO COc1cc(C[N@H+](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000463483582 1041591276 /nfs/dbraw/zinc/59/12/76/1041591276.db2.gz YOYIDGFFAAAPQK-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO COc1cc(C[N@@H+](C)Cc2ccc(Cl)cc2)c([N+](=O)[O-])cc1F ZINC000463483582 1041591282 /nfs/dbraw/zinc/59/12/82/1041591282.db2.gz YOYIDGFFAAAPQK-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541070016 1041803310 /nfs/dbraw/zinc/80/33/10/1041803310.db2.gz PCGWCKYBQOCECU-KRWDZBQOSA-N 1 2 333.819 4.314 20 5 EIBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541070016 1041803312 /nfs/dbraw/zinc/80/33/12/1041803312.db2.gz PCGWCKYBQOCECU-KRWDZBQOSA-N 1 2 333.819 4.314 20 5 EIBDLO C[N@H+](Cc1ccccc1OC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000506367065 1042357368 /nfs/dbraw/zinc/35/73/68/1042357368.db2.gz CHMQCQPJPOLWIJ-UHFFFAOYSA-N 1 2 340.301 4.125 20 5 EIBDLO C[N@@H+](Cc1ccccc1OC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000506367065 1042357375 /nfs/dbraw/zinc/35/73/75/1042357375.db2.gz CHMQCQPJPOLWIJ-UHFFFAOYSA-N 1 2 340.301 4.125 20 5 EIBDLO CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494781724 1044195632 /nfs/dbraw/zinc/19/56/32/1044195632.db2.gz IUFMAEDMIOHGMO-HNNXBMFYSA-N 1 2 348.830 4.021 20 5 EIBDLO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494781724 1044195645 /nfs/dbraw/zinc/19/56/45/1044195645.db2.gz IUFMAEDMIOHGMO-HNNXBMFYSA-N 1 2 348.830 4.021 20 5 EIBDLO CC(C)([NH2+]Cc1csc(-c2ccoc2)n1)c1ccccc1[N+](=O)[O-] ZINC000429255633 1044358110 /nfs/dbraw/zinc/35/81/10/1044358110.db2.gz IBVUNILMZHJNOE-UHFFFAOYSA-N 1 2 343.408 4.336 20 5 EIBDLO Cc1cc(C)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)[nH+]1 ZINC000193182673 1044699959 /nfs/dbraw/zinc/69/99/59/1044699959.db2.gz UCHMBZDCIAKJOO-UHFFFAOYSA-N 1 2 341.392 4.382 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2cc(-c3ccccc3)on2)cc1[N+](=O)[O-] ZINC000154780462 1044835157 /nfs/dbraw/zinc/83/51/57/1044835157.db2.gz RRUHBGKRTAMKEE-CQSZACIVSA-N 1 2 337.379 4.409 20 5 EIBDLO CC(C)[N@H+](Cc1nc2c(s1)CCCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000611452900 1045311102 /nfs/dbraw/zinc/31/11/02/1045311102.db2.gz OYXDRHVRQHUOMD-UHFFFAOYSA-N 1 2 345.468 4.341 20 5 EIBDLO CC(C)[N@@H+](Cc1nc2c(s1)CCCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000611452900 1045311112 /nfs/dbraw/zinc/31/11/12/1045311112.db2.gz OYXDRHVRQHUOMD-UHFFFAOYSA-N 1 2 345.468 4.341 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnc(C3CCC3)s2)C2CC2)cc1 ZINC000154272232 1046671586 /nfs/dbraw/zinc/67/15/86/1046671586.db2.gz SFYFCKVNTWXDGV-UHFFFAOYSA-N 1 2 343.452 4.483 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnc(C3CCC3)s2)C2CC2)cc1 ZINC000154272232 1046671604 /nfs/dbraw/zinc/67/16/04/1046671604.db2.gz SFYFCKVNTWXDGV-UHFFFAOYSA-N 1 2 343.452 4.483 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@H]3c3ccccc3)c2c1 ZINC000917448728 1046893839 /nfs/dbraw/zinc/89/38/39/1046893839.db2.gz MFFOXJLYHAIMNO-AWEZNQCLSA-N 1 2 341.392 4.276 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CC[C@H]3c3ccccc3)c2c1 ZINC000917448728 1046893844 /nfs/dbraw/zinc/89/38/44/1046893844.db2.gz MFFOXJLYHAIMNO-AWEZNQCLSA-N 1 2 341.392 4.276 20 5 EIBDLO C[N@H+](Cc1ccc(F)c(F)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746656404 1046923754 /nfs/dbraw/zinc/92/37/54/1046923754.db2.gz XSGCWUGMVPPUBN-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746656404 1046923772 /nfs/dbraw/zinc/92/37/72/1046923772.db2.gz XSGCWUGMVPPUBN-UHFFFAOYSA-N 1 2 326.730 4.158 20 5 EIBDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000746672457 1046979093 /nfs/dbraw/zinc/97/90/93/1046979093.db2.gz TXYHZGWPYDMQIJ-QGZVFWFLSA-N 1 2 333.819 4.314 20 5 EIBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000746672457 1046979082 /nfs/dbraw/zinc/97/90/82/1046979082.db2.gz TXYHZGWPYDMQIJ-QGZVFWFLSA-N 1 2 333.819 4.314 20 5 EIBDLO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1c(F)cccc1[N+](=O)[O-])CCC2 ZINC000152578423 1047404099 /nfs/dbraw/zinc/40/40/99/1047404099.db2.gz CLHPIJSQQGBANS-OAHLLOKOSA-N 1 2 349.431 4.262 20 5 EIBDLO CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-])CCC2 ZINC000152578423 1047404105 /nfs/dbraw/zinc/40/41/05/1047404105.db2.gz CLHPIJSQQGBANS-OAHLLOKOSA-N 1 2 349.431 4.262 20 5 EIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000217213824 1048179006 /nfs/dbraw/zinc/17/90/06/1048179006.db2.gz VQFLVDXOYPNRKG-QGZVFWFLSA-N 1 2 332.400 4.024 20 5 EIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000217213824 1048179037 /nfs/dbraw/zinc/17/90/37/1048179037.db2.gz VQFLVDXOYPNRKG-QGZVFWFLSA-N 1 2 332.400 4.024 20 5 EIBDLO C[N@H+](Cc1cccc(O)c1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809951838 1048579932 /nfs/dbraw/zinc/57/99/32/1048579932.db2.gz KFCUBQFHNNNRPT-UHFFFAOYSA-N 1 2 341.194 4.239 20 5 EIBDLO C[N@@H+](Cc1cccc(O)c1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809951838 1048579943 /nfs/dbraw/zinc/57/99/43/1048579943.db2.gz KFCUBQFHNNNRPT-UHFFFAOYSA-N 1 2 341.194 4.239 20 5 EIBDLO C[C@@H]1CSCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809986265 1048589796 /nfs/dbraw/zinc/58/97/96/1048589796.db2.gz APAGKLLBGBNEBU-VIFPVBQESA-N 1 2 335.256 4.087 20 5 EIBDLO C[C@@H]1CSCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809986265 1048589810 /nfs/dbraw/zinc/58/98/10/1048589810.db2.gz APAGKLLBGBNEBU-VIFPVBQESA-N 1 2 335.256 4.087 20 5 EIBDLO Cc1cccn2c(/C=C\c3ccc4c(cccc4[N+](=O)[O-])n3)c[nH+]c12 ZINC000610167219 1049561981 /nfs/dbraw/zinc/56/19/81/1049561981.db2.gz ZEMIJUBUQPOLMD-CLFYSBASSA-N 1 2 330.347 4.270 20 5 EIBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001170710436 1049807201 /nfs/dbraw/zinc/80/72/01/1049807201.db2.gz JHVKNLYSKATCGZ-UHFFFAOYSA-N 1 2 345.402 4.215 20 5 EIBDLO O=[N+]([O-])c1ncccc1C[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001170710436 1049807203 /nfs/dbraw/zinc/80/72/03/1049807203.db2.gz JHVKNLYSKATCGZ-UHFFFAOYSA-N 1 2 345.402 4.215 20 5 EIBDLO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)cc[nH+]1 ZINC000180271779 1049869714 /nfs/dbraw/zinc/86/97/14/1049869714.db2.gz SGHQATZNBQDPJO-UHFFFAOYSA-N 1 2 331.397 4.051 20 5 EIBDLO C[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccsc1 ZINC000619782605 1050899961 /nfs/dbraw/zinc/89/99/61/1050899961.db2.gz GAOHZRWBQSYHAG-QWRGUYRKSA-N 1 2 344.396 4.118 20 5 EIBDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1C ZINC001191143466 1051379865 /nfs/dbraw/zinc/37/98/65/1051379865.db2.gz DFZIVSWGQDOTMK-LJQANCHMSA-N 1 2 326.396 4.254 20 5 EIBDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1C ZINC001191143466 1051379873 /nfs/dbraw/zinc/37/98/73/1051379873.db2.gz DFZIVSWGQDOTMK-LJQANCHMSA-N 1 2 326.396 4.254 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC001192233112 1051674146 /nfs/dbraw/zinc/67/41/46/1051674146.db2.gz CPRMTLRINYHZRC-LBPRGKRZSA-N 1 2 332.350 4.301 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC001192233112 1051674151 /nfs/dbraw/zinc/67/41/51/1051674151.db2.gz CPRMTLRINYHZRC-LBPRGKRZSA-N 1 2 332.350 4.301 20 5 EIBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC001183527834 1051853258 /nfs/dbraw/zinc/85/32/58/1051853258.db2.gz WKMXSECJTRIBBA-NTUHNPAUSA-N 1 2 344.361 4.335 20 5 EIBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001183527834 1051853273 /nfs/dbraw/zinc/85/32/73/1051853273.db2.gz WKMXSECJTRIBBA-NTUHNPAUSA-N 1 2 344.361 4.335 20 5 EIBDLO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2cccnc2F)c2ccccc2)c1 ZINC000794828739 1053439839 /nfs/dbraw/zinc/43/98/39/1053439839.db2.gz NRIIAZQPDQPBBK-GOSISDBHSA-N 1 2 337.354 4.008 20 5 EIBDLO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872018147 1054332169 /nfs/dbraw/zinc/33/21/69/1054332169.db2.gz IZDLMGOTIAFYLR-NEPJUHHUSA-N 1 2 345.374 4.104 20 5 EIBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000872032010 1054348974 /nfs/dbraw/zinc/34/89/74/1054348974.db2.gz OYSWBADLROATMA-GHMZBOCLSA-N 1 2 337.470 4.493 20 5 EIBDLO COCCC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000859402374 1054669714 /nfs/dbraw/zinc/66/97/14/1054669714.db2.gz ZKCNXNMDBKJIBF-UHFFFAOYSA-N 1 2 347.242 4.150 20 5 EIBDLO CC(C)Nc1ccc([N@@H+]2c3ccccc3C=C3C(=O)C(N)=CC=C32)cc1 ZINC001201499890 1054822330 /nfs/dbraw/zinc/82/23/30/1054822330.db2.gz TYCNGLSTFSNSDJ-UHFFFAOYSA-N 1 2 343.430 4.498 20 5 EIBDLO CC(C)Nc1ccc([N@H+]2c3ccccc3C=C3C(=O)C(N)=CC=C32)cc1 ZINC001201499890 1054822337 /nfs/dbraw/zinc/82/23/37/1054822337.db2.gz TYCNGLSTFSNSDJ-UHFFFAOYSA-N 1 2 343.430 4.498 20 5 EIBDLO Cc1ccc([C@@H](C)Nc2ccc(N3CCCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC000327001901 1055895259 /nfs/dbraw/zinc/89/52/59/1055895259.db2.gz KISKCFAEUYOJNB-OAHLLOKOSA-N 1 2 340.427 4.462 20 5 EIBDLO C[C@@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000766844616 1060986439 /nfs/dbraw/zinc/98/64/39/1060986439.db2.gz SLORLLKOUIWUKM-SECBINFHSA-N 1 2 326.183 4.147 20 5 EIBDLO Cc1cccn2c(/C=C\c3ccc4cc([N+](=O)[O-])ccc4n3)c[nH+]c12 ZINC000471473568 1021125195 /nfs/dbraw/zinc/12/51/95/1021125195.db2.gz XNMCUQWINOPLIN-SREVYHEPSA-N 1 2 330.347 4.270 20 5 EIBDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]2C ZINC000540994965 1022851018 /nfs/dbraw/zinc/85/10/18/1022851018.db2.gz LXDFNRAHIWTZPH-NWDGAFQWSA-N 1 2 332.425 4.173 20 5 EIBDLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]2C ZINC000540994965 1022851025 /nfs/dbraw/zinc/85/10/25/1022851025.db2.gz LXDFNRAHIWTZPH-NWDGAFQWSA-N 1 2 332.425 4.173 20 5 EIBDLO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1F ZINC000610581448 1024097327 /nfs/dbraw/zinc/09/73/27/1024097327.db2.gz DAQDFNYUUSMXBH-UHFFFAOYSA-N 1 2 343.358 4.287 20 5 EIBDLO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1F ZINC000610581448 1024097342 /nfs/dbraw/zinc/09/73/42/1024097342.db2.gz DAQDFNYUUSMXBH-UHFFFAOYSA-N 1 2 343.358 4.287 20 5 EIBDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510792685 1024481367 /nfs/dbraw/zinc/48/13/67/1024481367.db2.gz UACAQLIVIZUUQM-LBPRGKRZSA-N 1 2 338.276 4.036 20 5 EIBDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000510792685 1024481375 /nfs/dbraw/zinc/48/13/75/1024481375.db2.gz UACAQLIVIZUUQM-LBPRGKRZSA-N 1 2 338.276 4.036 20 5 EIBDLO CCOc1ccccc1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000507176538 1026678314 /nfs/dbraw/zinc/67/83/14/1026678314.db2.gz YFBYXGDPZHEEKA-UHFFFAOYSA-N 1 2 326.396 4.158 20 5 EIBDLO CCOc1ccccc1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000507176538 1026678318 /nfs/dbraw/zinc/67/83/18/1026678318.db2.gz YFBYXGDPZHEEKA-UHFFFAOYSA-N 1 2 326.396 4.158 20 5 EIBDLO CC[C@H]1C[C@@]1([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000500510778 1026809687 /nfs/dbraw/zinc/80/96/87/1026809687.db2.gz BNVMJSLMJIBBJA-KXBFYZLASA-N 1 2 326.396 4.024 20 5 EIBDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000472319323 1029781120 /nfs/dbraw/zinc/78/11/20/1029781120.db2.gz MFSXFAVBNNDAHW-INIZCTEOSA-N 1 2 333.819 4.314 20 5 EIBDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000472319323 1029781128 /nfs/dbraw/zinc/78/11/28/1029781128.db2.gz MFSXFAVBNNDAHW-INIZCTEOSA-N 1 2 333.819 4.314 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000450933203 1030102564 /nfs/dbraw/zinc/10/25/64/1030102564.db2.gz UKNUSHKVECBUNY-UHFFFAOYSA-N 1 2 349.793 4.104 20 5 EIBDLO C[N@H+](Cc1cnc(C2CCCC2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000179315312 1030898614 /nfs/dbraw/zinc/89/86/14/1030898614.db2.gz DJMLIWAFALEJTM-UHFFFAOYSA-N 1 2 331.441 4.341 20 5 EIBDLO C[N@@H+](Cc1cnc(C2CCCC2)s1)Cc1ccccc1[N+](=O)[O-] ZINC000179315312 1030898616 /nfs/dbraw/zinc/89/86/16/1030898616.db2.gz DJMLIWAFALEJTM-UHFFFAOYSA-N 1 2 331.441 4.341 20 5 EIBDLO COc1ccc(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000052075417 1030966790 /nfs/dbraw/zinc/96/67/90/1030966790.db2.gz HZAUBOHIZLXASI-NSHDSACASA-N 1 2 336.338 4.075 20 5 EIBDLO COc1ccc(C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000052075417 1030966805 /nfs/dbraw/zinc/96/68/05/1030966805.db2.gz HZAUBOHIZLXASI-NSHDSACASA-N 1 2 336.338 4.075 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1NCc1ccccc1Cn1cc[nH+]c1 ZINC000345254108 1035160665 /nfs/dbraw/zinc/16/06/65/1035160665.db2.gz LBVOYNNLXPYYMC-UHFFFAOYSA-N 1 2 342.786 4.105 20 5 EIBDLO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000236984176 1035228986 /nfs/dbraw/zinc/22/89/86/1035228986.db2.gz TWHYZVIPYCMREE-KRWDZBQOSA-N 1 2 346.427 4.351 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000595021402 1035510540 /nfs/dbraw/zinc/51/05/40/1035510540.db2.gz DEUHKSJHEBAWSX-MEBBXXQBSA-N 1 2 348.786 4.041 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1COc2c1cccc2Cl ZINC000595026841 1035557966 /nfs/dbraw/zinc/55/79/66/1035557966.db2.gz NDBXKQQFMOJECL-MEBBXXQBSA-N 1 2 348.786 4.041 20 5 EIBDLO Cc1noc(C[N@@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC000595374172 1035669082 /nfs/dbraw/zinc/66/90/82/1035669082.db2.gz ZCROKBSUPLDOQH-INIZCTEOSA-N 1 2 340.383 4.100 20 5 EIBDLO Cc1noc(C[N@H+]2CCCC[C@H]2c2cc3ccccc3[nH]2)c1[N+](=O)[O-] ZINC000595374172 1035669104 /nfs/dbraw/zinc/66/91/04/1035669104.db2.gz ZCROKBSUPLDOQH-INIZCTEOSA-N 1 2 340.383 4.100 20 5 EIBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c(F)c1 ZINC000420954032 1035888974 /nfs/dbraw/zinc/88/89/74/1035888974.db2.gz UDMHCKQZXYLUMT-SECBINFHSA-N 1 2 338.276 4.037 20 5 EIBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c(F)c1 ZINC000420954032 1035888980 /nfs/dbraw/zinc/88/89/80/1035888980.db2.gz UDMHCKQZXYLUMT-SECBINFHSA-N 1 2 338.276 4.037 20 5 EIBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(c3c(F)cccc3F)CC2)cs1 ZINC000485730629 1036218493 /nfs/dbraw/zinc/21/84/93/1036218493.db2.gz SIGUKPCOXHALQS-UHFFFAOYSA-N 1 2 338.379 4.314 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000485793454 1036263930 /nfs/dbraw/zinc/26/39/30/1036263930.db2.gz OYMSYEYHJUSOBA-AUUYWEPGSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000485793454 1036263951 /nfs/dbraw/zinc/26/39/51/1036263951.db2.gz OYMSYEYHJUSOBA-AUUYWEPGSA-N 1 2 344.386 4.177 20 5 EIBDLO COc1ccc(Cl)cc1C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000487545375 1037131181 /nfs/dbraw/zinc/13/11/81/1037131181.db2.gz XZJHTTXPTGBCFQ-GFCCVEGCSA-N 1 2 334.803 4.450 20 5 EIBDLO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000487545375 1037131187 /nfs/dbraw/zinc/13/11/87/1037131187.db2.gz XZJHTTXPTGBCFQ-GFCCVEGCSA-N 1 2 334.803 4.450 20 5 EIBDLO Cc1cc(N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c(F)cc1[N+](=O)[O-] ZINC000461969974 1038857416 /nfs/dbraw/zinc/85/74/16/1038857416.db2.gz UXKXIZUZEHNGEQ-ZDUSSCGKSA-N 1 2 340.358 4.401 20 5 EIBDLO Cc1ccc(-c2nc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])co2)cc1 ZINC000514826629 1040259550 /nfs/dbraw/zinc/25/95/50/1040259550.db2.gz OOIVUTHCFVNIFM-SFHVURJKSA-N 1 2 349.390 4.335 20 5 EIBDLO CC[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000540834610 1041693459 /nfs/dbraw/zinc/69/34/59/1041693459.db2.gz XZPQDEXPUYZHMW-KRWDZBQOSA-N 1 2 340.358 4.483 20 5 EIBDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000464726290 1042142537 /nfs/dbraw/zinc/14/25/37/1042142537.db2.gz RQDMZSWARLIVCQ-XIKOKIGWSA-N 1 2 332.350 4.456 20 5 EIBDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000464726290 1042142540 /nfs/dbraw/zinc/14/25/40/1042142540.db2.gz RQDMZSWARLIVCQ-XIKOKIGWSA-N 1 2 332.350 4.456 20 5 EIBDLO C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000030152294 1042491824 /nfs/dbraw/zinc/49/18/24/1042491824.db2.gz SSKXHXCTPVDXJM-GUYCJALGSA-N 1 2 326.396 4.476 20 5 EIBDLO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000030152294 1042491834 /nfs/dbraw/zinc/49/18/34/1042491834.db2.gz SSKXHXCTPVDXJM-GUYCJALGSA-N 1 2 326.396 4.476 20 5 EIBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1c(F)cccc1F ZINC000761520528 1042875168 /nfs/dbraw/zinc/87/51/68/1042875168.db2.gz ABKXPVGLVMTQAY-SECBINFHSA-N 1 2 326.730 4.377 20 5 EIBDLO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]Cc3ccccc3F)cs2)c1 ZINC000113313084 1043263288 /nfs/dbraw/zinc/26/32/88/1043263288.db2.gz KTFGOEMEWVOZRZ-UHFFFAOYSA-N 1 2 343.383 4.147 20 5 EIBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000175214732 1044361614 /nfs/dbraw/zinc/36/16/14/1044361614.db2.gz SNLUIZPJKCLPJM-GFCCVEGCSA-N 1 2 349.456 4.260 20 5 EIBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000175214732 1044361630 /nfs/dbraw/zinc/36/16/30/1044361630.db2.gz SNLUIZPJKCLPJM-GFCCVEGCSA-N 1 2 349.456 4.260 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2cc(-c3ccccc3)on2)cc1[N+](=O)[O-] ZINC000154780568 1044835906 /nfs/dbraw/zinc/83/59/06/1044835906.db2.gz RRUHBGKRTAMKEE-AWEZNQCLSA-N 1 2 337.379 4.409 20 5 EIBDLO COCC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(C)o1 ZINC000272265272 1045013630 /nfs/dbraw/zinc/01/36/30/1045013630.db2.gz JVWDPIRZLXDUJV-OAHLLOKOSA-N 1 2 338.791 4.017 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)c(F)c1 ZINC000611497843 1045319310 /nfs/dbraw/zinc/31/93/10/1045319310.db2.gz JMPVKWYUERUMLD-UHFFFAOYSA-N 1 2 329.158 4.331 20 5 EIBDLO C[C@]12CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]1C2(Cl)Cl ZINC000792909996 1046103163 /nfs/dbraw/zinc/10/31/63/1046103163.db2.gz VBLXEDYWKZISDA-OLZOCXBDSA-N 1 2 349.645 4.264 20 5 EIBDLO C[C@]12CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]1C2(Cl)Cl ZINC000792909996 1046103178 /nfs/dbraw/zinc/10/31/78/1046103178.db2.gz VBLXEDYWKZISDA-OLZOCXBDSA-N 1 2 349.645 4.264 20 5 EIBDLO O=[N+]([O-])c1ncccc1C[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC001168274209 1046215540 /nfs/dbraw/zinc/21/55/40/1046215540.db2.gz BFWRXZVGSPWJFR-HXUWFJFHSA-N 1 2 345.402 4.289 20 5 EIBDLO O=[N+]([O-])c1ncccc1C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC001168274209 1046215550 /nfs/dbraw/zinc/21/55/50/1046215550.db2.gz BFWRXZVGSPWJFR-HXUWFJFHSA-N 1 2 345.402 4.289 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)cc1Cl ZINC000793619076 1046313574 /nfs/dbraw/zinc/31/35/74/1046313574.db2.gz DERXNYIXZJDXJK-UHFFFAOYSA-N 1 2 336.741 4.413 20 5 EIBDLO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000788479813 1047198657 /nfs/dbraw/zinc/19/86/57/1047198657.db2.gz CNXOBRVMHQDCSO-SFHVURJKSA-N 1 2 346.427 4.332 20 5 EIBDLO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000788479813 1047198662 /nfs/dbraw/zinc/19/86/62/1047198662.db2.gz CNXOBRVMHQDCSO-SFHVURJKSA-N 1 2 346.427 4.332 20 5 EIBDLO Cc1ccc([C@H](C)Nc2ccc(N3CCCCC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000537425032 1047216051 /nfs/dbraw/zinc/21/60/51/1047216051.db2.gz GKTBXVVDHGPTEF-HNNXBMFYSA-N 1 2 340.427 4.462 20 5 EIBDLO COc1c(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)oc2ccccc21 ZINC000788968901 1047337851 /nfs/dbraw/zinc/33/78/51/1047337851.db2.gz CSFCKBLOOUSOMZ-UHFFFAOYSA-N 1 2 346.770 4.293 20 5 EIBDLO COCc1csc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000824541821 1047887936 /nfs/dbraw/zinc/88/79/36/1047887936.db2.gz JFARZZAJHGKLNK-UHFFFAOYSA-N 1 2 340.832 4.088 20 5 EIBDLO COCc1csc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000824541821 1047887941 /nfs/dbraw/zinc/88/79/41/1047887941.db2.gz JFARZZAJHGKLNK-UHFFFAOYSA-N 1 2 340.832 4.088 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(F)cc1F ZINC000811476338 1049097549 /nfs/dbraw/zinc/09/75/49/1049097549.db2.gz JEGLXILCBGHXKV-UHFFFAOYSA-N 1 2 347.148 4.470 20 5 EIBDLO COc1ccc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC001171887509 1049816724 /nfs/dbraw/zinc/81/67/24/1049816724.db2.gz HRYJAXAREFDVMR-GOSISDBHSA-N 1 2 342.395 4.314 20 5 EIBDLO COc1ccc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC001171887509 1049816726 /nfs/dbraw/zinc/81/67/26/1049816726.db2.gz HRYJAXAREFDVMR-GOSISDBHSA-N 1 2 342.395 4.314 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000180266976 1049869876 /nfs/dbraw/zinc/86/98/76/1049869876.db2.gz GUJFAVSPSDSQAV-JTQLQIEISA-N 1 2 340.210 4.456 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000181817551 1050343797 /nfs/dbraw/zinc/34/37/97/1050343797.db2.gz IGFHCCJBZITEBB-AWEZNQCLSA-N 1 2 337.379 4.409 20 5 EIBDLO CSCc1nnc(C[NH2+]Cc2c3ccccc3cc3ccccc32)[nH]1 ZINC001179607792 1050730324 /nfs/dbraw/zinc/73/03/24/1050730324.db2.gz JZUBCRRJVQUORQ-UHFFFAOYSA-N 1 2 348.475 4.264 20 5 EIBDLO Cc1csc([C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)n1 ZINC000183490020 1051135315 /nfs/dbraw/zinc/13/53/15/1051135315.db2.gz RWCJYFGPZHQHRP-CQSZACIVSA-N 1 2 337.832 4.254 20 5 EIBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC001175490107 1051618318 /nfs/dbraw/zinc/61/83/18/1051618318.db2.gz CZNNQRHHNJKDSR-GOSISDBHSA-N 1 2 332.350 4.195 20 5 EIBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@](F)(c2ccccc2)C1 ZINC001175490107 1051618326 /nfs/dbraw/zinc/61/83/26/1051618326.db2.gz CZNNQRHHNJKDSR-GOSISDBHSA-N 1 2 332.350 4.195 20 5 EIBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000083171000 1052842043 /nfs/dbraw/zinc/84/20/43/1052842043.db2.gz HHHCGKBQANSKTC-SNVBAGLBSA-N 1 2 346.412 4.002 20 5 EIBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000083171000 1052842045 /nfs/dbraw/zinc/84/20/45/1052842045.db2.gz HHHCGKBQANSKTC-SNVBAGLBSA-N 1 2 346.412 4.002 20 5 EIBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)Cc2ccccc2O1 ZINC001194816600 1053113016 /nfs/dbraw/zinc/11/30/16/1053113016.db2.gz ARGAXJJSICIBPD-UHFFFAOYSA-N 1 2 346.814 4.421 20 5 EIBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)Cc2ccccc2O1 ZINC001194816600 1053113027 /nfs/dbraw/zinc/11/30/27/1053113027.db2.gz ARGAXJJSICIBPD-UHFFFAOYSA-N 1 2 346.814 4.421 20 5 EIBDLO CC1(C)CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC001198201621 1054091478 /nfs/dbraw/zinc/09/14/78/1054091478.db2.gz ANDSGQWVOBHPBE-SFHVURJKSA-N 1 2 340.423 4.316 20 5 EIBDLO CC1(C)CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC001198201621 1054091491 /nfs/dbraw/zinc/09/14/91/1054091491.db2.gz ANDSGQWVOBHPBE-SFHVURJKSA-N 1 2 340.423 4.316 20 5 EIBDLO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872018149 1054333068 /nfs/dbraw/zinc/33/30/68/1054333068.db2.gz IZDLMGOTIAFYLR-RYUDHWBXSA-N 1 2 345.374 4.104 20 5 EIBDLO COc1ccc(C2([NH2+][C@H](C)c3c(F)cccc3[N+](=O)[O-])CC2)cc1 ZINC000872054838 1054365946 /nfs/dbraw/zinc/36/59/46/1054365946.db2.gz CDZNECBJJGGICJ-GFCCVEGCSA-N 1 2 330.359 4.082 20 5 EIBDLO C[C@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872060613 1054371100 /nfs/dbraw/zinc/37/11/00/1054371100.db2.gz RXAFDRPZPQOJAD-NHYWBVRUSA-N 1 2 348.349 4.438 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553992225 1055976257 /nfs/dbraw/zinc/97/62/57/1055976257.db2.gz KJTLQXZMQVVPQK-INIZCTEOSA-N 1 2 332.425 4.248 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000553992225 1055976271 /nfs/dbraw/zinc/97/62/71/1055976271.db2.gz KJTLQXZMQVVPQK-INIZCTEOSA-N 1 2 332.425 4.248 20 5 EIBDLO O=[N+]([O-])c1cc(NCCc2cn3ccccc3[nH+]2)cc2ccccc21 ZINC001169011443 1060579707 /nfs/dbraw/zinc/57/97/07/1060579707.db2.gz SRSFPPXLVJJUQF-UHFFFAOYSA-N 1 2 332.363 4.050 20 5 EIBDLO C[N@H+](Cc1ccc(C(F)(F)F)s1)Cc1ccccc1[N+](=O)[O-] ZINC000432738667 1032625075 /nfs/dbraw/zinc/62/50/75/1032625075.db2.gz SNOMCNDHFLUOIG-UHFFFAOYSA-N 1 2 330.331 4.307 20 5 EIBDLO C[N@@H+](Cc1ccc(C(F)(F)F)s1)Cc1ccccc1[N+](=O)[O-] ZINC000432738667 1032625088 /nfs/dbraw/zinc/62/50/88/1032625088.db2.gz SNOMCNDHFLUOIG-UHFFFAOYSA-N 1 2 330.331 4.307 20 5 EIBDLO O=[N+]([O-])c1ccc(COc2ccccc2-n2cc[nH+]c2)c(Cl)c1 ZINC000580235614 1021791968 /nfs/dbraw/zinc/79/19/68/1021791968.db2.gz ABUJUNYJANQQCZ-UHFFFAOYSA-N 1 2 329.743 4.013 20 5 EIBDLO CC(C)c1nnc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417310414 1023256464 /nfs/dbraw/zinc/25/64/64/1023256464.db2.gz JZTXSEVRERFNOS-HNNXBMFYSA-N 1 2 346.456 4.127 20 5 EIBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000610575361 1023961577 /nfs/dbraw/zinc/96/15/77/1023961577.db2.gz GAFFHALHCDFCEN-SNVBAGLBSA-N 1 2 340.301 4.170 20 5 EIBDLO Cc1cc(NC(=O)c2cc3ccccc3c3cccnc23)c(C)c[nH+]1 ZINC000535747904 1024913140 /nfs/dbraw/zinc/91/31/40/1024913140.db2.gz RRCNVXFSRQWMTN-UHFFFAOYSA-N 1 2 327.387 4.074 20 5 EIBDLO CCC[C@H]([NH2+][C@H](C)c1nnc([C@@H](C)CC)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000277266137 1025428024 /nfs/dbraw/zinc/42/80/24/1025428024.db2.gz PJMNHVPBJLCPBU-ZENOOKHLSA-N 1 2 345.447 4.418 20 5 EIBDLO COc1cc(C[N@H+]([C@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184265292 1026301628 /nfs/dbraw/zinc/30/16/28/1026301628.db2.gz OQMANKHVUSKZRP-LLVKDONJSA-N 1 2 334.347 4.061 20 5 EIBDLO COc1cc(C[N@@H+]([C@H](C)c2ccco2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184265292 1026301649 /nfs/dbraw/zinc/30/16/49/1026301649.db2.gz OQMANKHVUSKZRP-LLVKDONJSA-N 1 2 334.347 4.061 20 5 EIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000441451598 1028006498 /nfs/dbraw/zinc/00/64/98/1028006498.db2.gz UOIMIVZNJRDJIK-LPMFXHHGSA-N 1 2 344.386 4.257 20 5 EIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000441451598 1028006518 /nfs/dbraw/zinc/00/65/18/1028006518.db2.gz UOIMIVZNJRDJIK-LPMFXHHGSA-N 1 2 344.386 4.257 20 5 EIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000441451600 1028007861 /nfs/dbraw/zinc/00/78/61/1028007861.db2.gz UOIMIVZNJRDJIK-TYILLQQXSA-N 1 2 344.386 4.257 20 5 EIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000441451600 1028007881 /nfs/dbraw/zinc/00/78/81/1028007881.db2.gz UOIMIVZNJRDJIK-TYILLQQXSA-N 1 2 344.386 4.257 20 5 EIBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]3c3ccccc3)co2)cc1 ZINC000536347834 1028067733 /nfs/dbraw/zinc/06/77/33/1028067733.db2.gz FVCSKPKVFFQBPG-GOSISDBHSA-N 1 2 335.363 4.197 20 5 EIBDLO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H]3c3ccccc3)co2)cc1 ZINC000536347834 1028067754 /nfs/dbraw/zinc/06/77/54/1028067754.db2.gz FVCSKPKVFFQBPG-GOSISDBHSA-N 1 2 335.363 4.197 20 5 EIBDLO CCc1ccc([C@@H]([NH2+]Cc2cccnc2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346455993 1028441179 /nfs/dbraw/zinc/44/11/79/1028441179.db2.gz JWASIZGJSXTOPK-IBGZPJMESA-N 1 2 337.379 4.024 20 5 EIBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000472319324 1029780884 /nfs/dbraw/zinc/78/08/84/1029780884.db2.gz MFSXFAVBNNDAHW-MRXNPFEDSA-N 1 2 333.819 4.314 20 5 EIBDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000472319324 1029780897 /nfs/dbraw/zinc/78/08/97/1029780897.db2.gz MFSXFAVBNNDAHW-MRXNPFEDSA-N 1 2 333.819 4.314 20 5 EIBDLO CCc1nc(C[N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cs1 ZINC000526063579 1030260274 /nfs/dbraw/zinc/26/02/74/1030260274.db2.gz RBJMFNXDTAUTLE-MDWZMJQESA-N 1 2 331.441 4.149 20 5 EIBDLO CCc1nc(C[N@@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)cs1 ZINC000526063579 1030260294 /nfs/dbraw/zinc/26/02/94/1030260294.db2.gz RBJMFNXDTAUTLE-MDWZMJQESA-N 1 2 331.441 4.149 20 5 EIBDLO O=C(C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000121825398 1030620593 /nfs/dbraw/zinc/62/05/93/1030620593.db2.gz ZTYDDROLIBFWJF-ZDUSSCGKSA-N 1 2 348.399 4.033 20 5 EIBDLO O=C(C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000121825398 1030620607 /nfs/dbraw/zinc/62/06/07/1030620607.db2.gz ZTYDDROLIBFWJF-ZDUSSCGKSA-N 1 2 348.399 4.033 20 5 EIBDLO CCCc1ncc(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)o1 ZINC000449612006 1031871601 /nfs/dbraw/zinc/87/16/01/1031871601.db2.gz JEEJMPSYFYGZTI-UHFFFAOYSA-N 1 2 341.367 4.085 20 5 EIBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000486791990 1031928015 /nfs/dbraw/zinc/92/80/15/1031928015.db2.gz PSINLUJUJQTPIF-VIFPVBQESA-N 1 2 345.346 4.229 20 5 EIBDLO O=C(C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000595384798 1035670789 /nfs/dbraw/zinc/67/07/89/1035670789.db2.gz NZEQTIZQMCBLTC-AWEZNQCLSA-N 1 2 348.399 4.033 20 5 EIBDLO O=C(C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000595384798 1035670804 /nfs/dbraw/zinc/67/08/04/1035670804.db2.gz NZEQTIZQMCBLTC-AWEZNQCLSA-N 1 2 348.399 4.033 20 5 EIBDLO C[N@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccccc2)c[nH]1 ZINC000485285985 1035811439 /nfs/dbraw/zinc/81/14/39/1035811439.db2.gz FSCBJSOKXFQXNN-YRNVUSSQSA-N 1 2 348.406 4.130 20 5 EIBDLO C[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1nc(-c2ccccc2)c[nH]1 ZINC000485285985 1035811441 /nfs/dbraw/zinc/81/14/41/1035811441.db2.gz FSCBJSOKXFQXNN-YRNVUSSQSA-N 1 2 348.406 4.130 20 5 EIBDLO Cc1cc([C@H]2C[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491160605 1035818379 /nfs/dbraw/zinc/81/83/79/1035818379.db2.gz IGMYATJJKQCGEI-IFXJQAMLSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1cc([C@H]2C[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491160605 1035818383 /nfs/dbraw/zinc/81/83/83/1035818383.db2.gz IGMYATJJKQCGEI-IFXJQAMLSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596161761 1035832151 /nfs/dbraw/zinc/83/21/51/1035832151.db2.gz JGWIHFJTNYDXHV-ZDUSSCGKSA-N 1 2 342.399 4.126 20 5 EIBDLO Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596161761 1035832153 /nfs/dbraw/zinc/83/21/53/1035832153.db2.gz JGWIHFJTNYDXHV-ZDUSSCGKSA-N 1 2 342.399 4.126 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(c4ccccc4F)CCC3)nc2c1 ZINC000602700219 1036575341 /nfs/dbraw/zinc/57/53/41/1036575341.db2.gz MVEVCRUKDNCANI-UHFFFAOYSA-N 1 2 341.342 4.044 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000490065002 1038328004 /nfs/dbraw/zinc/32/80/04/1038328004.db2.gz CJRCEMPUXUPIHW-ZDUSSCGKSA-N 1 2 345.468 4.432 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000490065002 1038328012 /nfs/dbraw/zinc/32/80/12/1038328012.db2.gz CJRCEMPUXUPIHW-ZDUSSCGKSA-N 1 2 345.468 4.432 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000490089720 1038342168 /nfs/dbraw/zinc/34/21/68/1038342168.db2.gz OQRIRLUNISBWQR-DEYYWGMASA-N 1 2 346.452 4.488 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000490089720 1038342186 /nfs/dbraw/zinc/34/21/86/1038342186.db2.gz OQRIRLUNISBWQR-DEYYWGMASA-N 1 2 346.452 4.488 20 5 EIBDLO Cc1ccccc1-c1cnc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000539278690 1038915636 /nfs/dbraw/zinc/91/56/36/1038915636.db2.gz WHFHTKHTUZNTIB-CQSZACIVSA-N 1 2 337.379 4.409 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccsc2C1 ZINC000534126160 1039144585 /nfs/dbraw/zinc/14/45/85/1039144585.db2.gz IRHSJSUMUGNTIK-UHFFFAOYSA-N 1 2 332.425 4.002 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ccsc2C1 ZINC000534126160 1039144602 /nfs/dbraw/zinc/14/46/02/1039144602.db2.gz IRHSJSUMUGNTIK-UHFFFAOYSA-N 1 2 332.425 4.002 20 5 EIBDLO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000505685373 1040347990 /nfs/dbraw/zinc/34/79/90/1040347990.db2.gz ZTRLQAHIZAMZDR-AWEZNQCLSA-N 1 2 337.379 4.233 20 5 EIBDLO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000505685373 1040348009 /nfs/dbraw/zinc/34/80/09/1040348009.db2.gz ZTRLQAHIZAMZDR-AWEZNQCLSA-N 1 2 337.379 4.233 20 5 EIBDLO CC(C)([NH2+]Cc1nc(-c2ccccc2)c[nH]1)c1ccccc1[N+](=O)[O-] ZINC000492279345 1042596245 /nfs/dbraw/zinc/59/62/45/1042596245.db2.gz YVDHZWSHJWMDKO-UHFFFAOYSA-N 1 2 336.395 4.010 20 5 EIBDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493002603 1042787494 /nfs/dbraw/zinc/78/74/94/1042787494.db2.gz JIADAXCDCDTPQE-QGZVFWFLSA-N 1 2 333.819 4.314 20 5 EIBDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493002603 1042787498 /nfs/dbraw/zinc/78/74/98/1042787498.db2.gz JIADAXCDCDTPQE-QGZVFWFLSA-N 1 2 333.819 4.314 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000550442865 1043117134 /nfs/dbraw/zinc/11/71/34/1043117134.db2.gz AXGHIAULZPWUDU-SCLBCKFNSA-N 1 2 346.814 4.383 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000550442865 1043117144 /nfs/dbraw/zinc/11/71/44/1043117144.db2.gz AXGHIAULZPWUDU-SCLBCKFNSA-N 1 2 346.814 4.383 20 5 EIBDLO Cc1csc([C@@H](C)[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000727836729 1043310938 /nfs/dbraw/zinc/31/09/38/1043310938.db2.gz DPZYXFODMLDIIO-GFCCVEGCSA-N 1 2 343.408 4.471 20 5 EIBDLO COc1ccccc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609193263 1043443785 /nfs/dbraw/zinc/44/37/85/1043443785.db2.gz GIPYKHWQOJMCPZ-UHFFFAOYSA-N 1 2 344.411 4.023 20 5 EIBDLO COc1ccccc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609193263 1043443796 /nfs/dbraw/zinc/44/37/96/1043443796.db2.gz GIPYKHWQOJMCPZ-UHFFFAOYSA-N 1 2 344.411 4.023 20 5 EIBDLO CC[N@H+](CCC(F)(F)F)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609194156 1043444006 /nfs/dbraw/zinc/44/40/06/1043444006.db2.gz XJKRQXLAFICPNB-UHFFFAOYSA-N 1 2 334.338 4.156 20 5 EIBDLO CC[N@@H+](CCC(F)(F)F)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000609194156 1043444017 /nfs/dbraw/zinc/44/40/17/1043444017.db2.gz XJKRQXLAFICPNB-UHFFFAOYSA-N 1 2 334.338 4.156 20 5 EIBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nnc(-c2ccccc2)o1 ZINC000079309526 1043885326 /nfs/dbraw/zinc/88/53/26/1043885326.db2.gz GPNLFOZRLAGMLZ-CHWSQXEVSA-N 1 2 338.367 4.057 20 5 EIBDLO CC[C@@](C)([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000173941201 1044197154 /nfs/dbraw/zinc/19/71/54/1044197154.db2.gz LALXBNMMWYXKFY-OAHLLOKOSA-N 1 2 339.848 4.428 20 5 EIBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000175214709 1044361070 /nfs/dbraw/zinc/36/10/70/1044361070.db2.gz SNLUIZPJKCLPJM-LBPRGKRZSA-N 1 2 349.456 4.260 20 5 EIBDLO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000175214709 1044361087 /nfs/dbraw/zinc/36/10/87/1044361087.db2.gz SNLUIZPJKCLPJM-LBPRGKRZSA-N 1 2 349.456 4.260 20 5 EIBDLO CCc1ccc([C@H]([NH2+]C2CC(F)(F)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000429462842 1045164010 /nfs/dbraw/zinc/16/40/10/1045164010.db2.gz DLWOWVIJRUBFTB-MRXNPFEDSA-N 1 2 336.338 4.227 20 5 EIBDLO CC(C)Oc1ccccc1[C@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000611380245 1045292174 /nfs/dbraw/zinc/29/21/74/1045292174.db2.gz KLESDZIQRASYHK-ZDUSSCGKSA-N 1 2 332.375 4.372 20 5 EIBDLO CC[C@@H](NC(=O)Nc1c(C)cc(C)[nH+]c1C)c1cccc([N+](=O)[O-])c1 ZINC000455498011 1045704685 /nfs/dbraw/zinc/70/46/85/1045704685.db2.gz QVMSCUKPAZSASR-MRXNPFEDSA-N 1 2 342.399 4.188 20 5 EIBDLO CC(C)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000768336727 1045793410 /nfs/dbraw/zinc/79/34/10/1045793410.db2.gz KGWWPXAGIQEFHW-UHFFFAOYSA-N 1 2 343.383 4.258 20 5 EIBDLO CC(C)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000768336727 1045793427 /nfs/dbraw/zinc/79/34/27/1045793427.db2.gz KGWWPXAGIQEFHW-UHFFFAOYSA-N 1 2 343.383 4.258 20 5 EIBDLO C[C@H](c1cccc(Cl)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792862132 1046077712 /nfs/dbraw/zinc/07/77/12/1046077712.db2.gz JSPBMRLMCRFUQD-LLVKDONJSA-N 1 2 349.774 4.349 20 5 EIBDLO C[C@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792862132 1046077724 /nfs/dbraw/zinc/07/77/24/1046077724.db2.gz JSPBMRLMCRFUQD-LLVKDONJSA-N 1 2 349.774 4.349 20 5 EIBDLO C[C@@]12CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]1C2(Cl)Cl ZINC000792912616 1046104819 /nfs/dbraw/zinc/10/48/19/1046104819.db2.gz SQOURWKQZUXDGR-QWHCGFSZSA-N 1 2 349.645 4.264 20 5 EIBDLO C[C@@]12CC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]1C2(Cl)Cl ZINC000792912616 1046104827 /nfs/dbraw/zinc/10/48/27/1046104827.db2.gz SQOURWKQZUXDGR-QWHCGFSZSA-N 1 2 349.645 4.264 20 5 EIBDLO C[NH+](C)c1ccc(N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000788598198 1047242872 /nfs/dbraw/zinc/24/28/72/1047242872.db2.gz KXQHNLCMCGCHAU-GOSISDBHSA-N 1 2 325.412 4.495 20 5 EIBDLO C[NH+](C)c1ccc(N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cc1 ZINC000788598199 1047243804 /nfs/dbraw/zinc/24/38/04/1047243804.db2.gz KXQHNLCMCGCHAU-SFHVURJKSA-N 1 2 325.412 4.495 20 5 EIBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2c(F)cccc2[N+](=O)[O-])cc1F ZINC001171835083 1049811677 /nfs/dbraw/zinc/81/16/77/1049811677.db2.gz SZZLVPSOUXBVMR-MRXNPFEDSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2c(F)cccc2[N+](=O)[O-])cc1F ZINC001171835083 1049811681 /nfs/dbraw/zinc/81/16/81/1049811681.db2.gz SZZLVPSOUXBVMR-MRXNPFEDSA-N 1 2 348.349 4.219 20 5 EIBDLO CC(C)([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(F)F ZINC000619432107 1050785792 /nfs/dbraw/zinc/78/57/92/1050785792.db2.gz UPZBYDZLXYEXAU-UHFFFAOYSA-N 1 2 326.368 4.457 20 5 EIBDLO C[N@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC001179850095 1050800705 /nfs/dbraw/zinc/80/07/05/1050800705.db2.gz PLLAKVUFASOUFI-UHFFFAOYSA-N 1 2 342.292 4.385 20 5 EIBDLO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC001179850095 1050800713 /nfs/dbraw/zinc/80/07/13/1050800713.db2.gz PLLAKVUFASOUFI-UHFFFAOYSA-N 1 2 342.292 4.385 20 5 EIBDLO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000182911544 1050877365 /nfs/dbraw/zinc/87/73/65/1050877365.db2.gz PDKNBDWZWVGYJH-GFCCVEGCSA-N 1 2 326.331 4.093 20 5 EIBDLO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001191038223 1051330126 /nfs/dbraw/zinc/33/01/26/1051330126.db2.gz HEJQCNRKPGDVDF-GOSISDBHSA-N 1 2 332.350 4.382 20 5 EIBDLO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001191038223 1051330138 /nfs/dbraw/zinc/33/01/38/1051330138.db2.gz HEJQCNRKPGDVDF-GOSISDBHSA-N 1 2 332.350 4.382 20 5 EIBDLO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cn1 ZINC000775525024 1051706704 /nfs/dbraw/zinc/70/67/04/1051706704.db2.gz DCHKKPHJTIYNSJ-VIFPVBQESA-N 1 2 326.183 4.147 20 5 EIBDLO CCC[N@H+](Cc1ccccc1F)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774840157 1052192944 /nfs/dbraw/zinc/19/29/44/1052192944.db2.gz JFQYJONZKJKXNK-UHFFFAOYSA-N 1 2 347.346 4.054 20 5 EIBDLO CCC[N@@H+](Cc1ccccc1F)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774840157 1052192950 /nfs/dbraw/zinc/19/29/50/1052192950.db2.gz JFQYJONZKJKXNK-UHFFFAOYSA-N 1 2 347.346 4.054 20 5 EIBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000552141699 1053568421 /nfs/dbraw/zinc/56/84/21/1053568421.db2.gz RLNBYSKICNPRCC-SFHVURJKSA-N 1 2 346.814 4.130 20 5 EIBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000552141699 1053568435 /nfs/dbraw/zinc/56/84/35/1053568435.db2.gz RLNBYSKICNPRCC-SFHVURJKSA-N 1 2 346.814 4.130 20 5 EIBDLO CC[C@H]([NH2+][C@H]1c2ccccc2OC[C@@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000866282959 1053676614 /nfs/dbraw/zinc/67/66/14/1053676614.db2.gz SYVNNLMTFUOSIW-BQFCYCMXSA-N 1 2 330.359 4.107 20 5 EIBDLO C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872044646 1054359278 /nfs/dbraw/zinc/35/92/78/1054359278.db2.gz CVWBDALMYAEWCZ-QMTHXVAHSA-N 1 2 334.322 4.047 20 5 EIBDLO C[C@@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872058337 1054367974 /nfs/dbraw/zinc/36/79/74/1054367974.db2.gz RTXUGOGBULQTFN-IAQYHMDHSA-N 1 2 348.349 4.438 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCc3ccc(Cl)nc32)c1 ZINC000857907336 1054381232 /nfs/dbraw/zinc/38/12/32/1054381232.db2.gz NSXVOXMMZHWNFB-ZDUSSCGKSA-N 1 2 338.194 4.074 20 5 EIBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ncc(Cl)s1 ZINC000872113777 1054394180 /nfs/dbraw/zinc/39/41/80/1054394180.db2.gz SPAXNOIZJVBIMN-MRVPVSSYSA-N 1 2 343.861 4.277 20 5 EIBDLO Cc1ccc(-c2nc(C[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)co2)cc1 ZINC000744447179 1059519315 /nfs/dbraw/zinc/51/93/15/1059519315.db2.gz KUCHUVURQOKHEE-UHFFFAOYSA-N 1 2 337.379 4.156 20 5 EIBDLO C[C@H]([NH2+]Cc1nc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000766844617 1060985349 /nfs/dbraw/zinc/98/53/49/1060985349.db2.gz SLORLLKOUIWUKM-VIFPVBQESA-N 1 2 326.183 4.147 20 5 EIBDLO Cc1[nH+]c2ccccc2n1CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000068836951 215339742 /nfs/dbraw/zinc/33/97/42/215339742.db2.gz KBDHQQOXICMUFP-UHFFFAOYSA-N 1 2 344.802 4.409 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)cc1 ZINC000532744201 1032281196 /nfs/dbraw/zinc/28/11/96/1032281196.db2.gz QGLCQBQKQKXYBH-QGZVFWFLSA-N 1 2 337.379 4.463 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)cc1 ZINC000532744201 1032281207 /nfs/dbraw/zinc/28/12/07/1032281207.db2.gz QGLCQBQKQKXYBH-QGZVFWFLSA-N 1 2 337.379 4.463 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000430208451 1019348868 /nfs/dbraw/zinc/34/88/68/1019348868.db2.gz BJZOCQAPSQGRKP-SNVBAGLBSA-N 1 2 338.766 4.247 20 5 EIBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc(-n2cc[nH+]c2)cc1 ZINC000468639254 1022252140 /nfs/dbraw/zinc/25/21/40/1022252140.db2.gz RSYVKAHBWGQBTK-PTNGSMBKSA-N 1 2 334.379 4.296 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000549686607 1033068135 /nfs/dbraw/zinc/06/81/35/1033068135.db2.gz JCYPYJZVPFHUBS-UHFFFAOYSA-N 1 2 332.787 4.123 20 5 EIBDLO C[C@@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC000180428251 1022653855 /nfs/dbraw/zinc/65/38/55/1022653855.db2.gz IRIXGFCWAGDRMV-GFCCVEGCSA-N 1 2 341.342 4.240 20 5 EIBDLO Cc1nc([C@H]2CCC[N@@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cs1 ZINC000189925713 1023176692 /nfs/dbraw/zinc/17/66/92/1023176692.db2.gz HDJDOXBFYAUROT-BBOMDTFKSA-N 1 2 329.425 4.210 20 5 EIBDLO Cc1nc([C@H]2CCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cs1 ZINC000189925713 1023176704 /nfs/dbraw/zinc/17/67/04/1023176704.db2.gz HDJDOXBFYAUROT-BBOMDTFKSA-N 1 2 329.425 4.210 20 5 EIBDLO O=[N+]([O-])c1ccc(CNc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000344172275 1026087355 /nfs/dbraw/zinc/08/73/55/1026087355.db2.gz SVEJIDCPKDELNX-UHFFFAOYSA-N 1 2 328.759 4.046 20 5 EIBDLO CO[C@@H](C)c1nc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cs1 ZINC000344719520 1026559263 /nfs/dbraw/zinc/55/92/63/1026559263.db2.gz YADCGSNDSJGWRG-LBPRGKRZSA-N 1 2 349.456 4.172 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C2CC2)cc1 ZINC000507168380 1026682403 /nfs/dbraw/zinc/68/24/03/1026682403.db2.gz CSRVSMGJCAYMHN-UHFFFAOYSA-N 1 2 348.406 4.150 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C2CC2)cc1 ZINC000507168380 1026682408 /nfs/dbraw/zinc/68/24/08/1026682408.db2.gz CSRVSMGJCAYMHN-UHFFFAOYSA-N 1 2 348.406 4.150 20 5 EIBDLO CC(C)([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(Cl)c1F ZINC000185847445 1027857713 /nfs/dbraw/zinc/85/77/13/1027857713.db2.gz MZCCWGUOOQAITF-UHFFFAOYSA-N 1 2 328.796 4.474 20 5 EIBDLO O=[N+]([O-])c1ccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)cc1 ZINC000444038520 1028754453 /nfs/dbraw/zinc/75/44/53/1028754453.db2.gz XCRSAUPONHAKRL-UHFFFAOYSA-N 1 2 348.406 4.407 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246631569 1029111890 /nfs/dbraw/zinc/11/18/90/1029111890.db2.gz WDSIKFKYQSZXFR-IGCXYCKISA-N 1 2 332.425 4.179 20 5 EIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246631569 1029111908 /nfs/dbraw/zinc/11/19/08/1029111908.db2.gz WDSIKFKYQSZXFR-IGCXYCKISA-N 1 2 332.425 4.179 20 5 EIBDLO Cc1ccc(-c2cc(C[N@@H+]3CCc4ccc([N+](=O)[O-])cc4C3)on2)cc1 ZINC000446713989 1029535300 /nfs/dbraw/zinc/53/53/00/1029535300.db2.gz CPQZKTRASFXQKB-UHFFFAOYSA-N 1 2 349.390 4.117 20 5 EIBDLO Cc1ccc(-c2cc(C[N@H+]3CCc4ccc([N+](=O)[O-])cc4C3)on2)cc1 ZINC000446713989 1029535304 /nfs/dbraw/zinc/53/53/04/1029535304.db2.gz CPQZKTRASFXQKB-UHFFFAOYSA-N 1 2 349.390 4.117 20 5 EIBDLO CC(C)c1nnc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000433285498 1034189188 /nfs/dbraw/zinc/18/91/88/1034189188.db2.gz IDFAHKJWYGPKTE-CQSZACIVSA-N 1 2 346.456 4.082 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1COc2c1cccc2Cl ZINC000595026839 1035559734 /nfs/dbraw/zinc/55/97/34/1035559734.db2.gz NDBXKQQFMOJECL-BMIGLBTASA-N 1 2 348.786 4.041 20 5 EIBDLO Cc1noc(C[N@@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595296480 1035623409 /nfs/dbraw/zinc/62/34/09/1035623409.db2.gz DSOVCRHVBCRXAU-SNVBAGLBSA-N 1 2 343.305 4.103 20 5 EIBDLO Cc1noc(C[N@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595296480 1035623422 /nfs/dbraw/zinc/62/34/22/1035623422.db2.gz DSOVCRHVBCRXAU-SNVBAGLBSA-N 1 2 343.305 4.103 20 5 EIBDLO Cc1noc(C[N@@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595313994 1035640598 /nfs/dbraw/zinc/64/05/98/1035640598.db2.gz YWUINVFPBNQIRI-FQEVSTJZSA-N 1 2 349.390 4.039 20 5 EIBDLO Cc1noc(C[N@H+]2CCc3ccccc3[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595313994 1035640620 /nfs/dbraw/zinc/64/06/20/1035640620.db2.gz YWUINVFPBNQIRI-FQEVSTJZSA-N 1 2 349.390 4.039 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c(F)c1 ZINC000491136994 1035810460 /nfs/dbraw/zinc/81/04/60/1035810460.db2.gz NARXSFADJZCYBR-QGZVFWFLSA-N 1 2 332.400 4.024 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c(F)c1 ZINC000491136994 1035810462 /nfs/dbraw/zinc/81/04/62/1035810462.db2.gz NARXSFADJZCYBR-QGZVFWFLSA-N 1 2 332.400 4.024 20 5 EIBDLO Cc1cc([C@H]2C[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)ccc1F ZINC000491117840 1035812836 /nfs/dbraw/zinc/81/28/36/1035812836.db2.gz PSXJSBHDDQWISQ-AUUYWEPGSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1cc([C@H]2C[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])CCO2)ccc1F ZINC000491117840 1035812839 /nfs/dbraw/zinc/81/28/39/1035812839.db2.gz PSXJSBHDDQWISQ-AUUYWEPGSA-N 1 2 344.386 4.177 20 5 EIBDLO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CC(F)F)c2ccccc2)c(F)c1 ZINC000420992644 1035929201 /nfs/dbraw/zinc/92/92/01/1035929201.db2.gz KZUWTVINXVZRAD-OAHLLOKOSA-N 1 2 342.292 4.359 20 5 EIBDLO O=[N+]([O-])c1ccc(OC2CCN(c3[nH+]ccc4ccccc43)CC2)cc1 ZINC000599052640 1036867219 /nfs/dbraw/zinc/86/72/19/1036867219.db2.gz PZJVDYKUWNVVLZ-UHFFFAOYSA-N 1 2 349.390 4.191 20 5 EIBDLO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000159728517 1040191658 /nfs/dbraw/zinc/19/16/58/1040191658.db2.gz PIVKCMFHFQLMNB-MRXNPFEDSA-N 1 2 331.803 4.289 20 5 EIBDLO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000159728517 1040191675 /nfs/dbraw/zinc/19/16/75/1040191675.db2.gz PIVKCMFHFQLMNB-MRXNPFEDSA-N 1 2 331.803 4.289 20 5 EIBDLO CCCc1csc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000426077687 1042276233 /nfs/dbraw/zinc/27/62/33/1042276233.db2.gz LXJOYOPATTXOQC-UHFFFAOYSA-N 1 2 333.457 4.414 20 5 EIBDLO CCCc1csc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000426077687 1042276248 /nfs/dbraw/zinc/27/62/48/1042276248.db2.gz LXJOYOPATTXOQC-UHFFFAOYSA-N 1 2 333.457 4.414 20 5 EIBDLO C[C@H]1CCc2nc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000492003071 1042530966 /nfs/dbraw/zinc/53/09/66/1042530966.db2.gz UZRHXAHKRFGAHA-LBPRGKRZSA-N 1 2 345.468 4.201 20 5 EIBDLO C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492243585 1042587474 /nfs/dbraw/zinc/58/74/74/1042587474.db2.gz WULFAJAYJNBEET-CQSZACIVSA-N 1 2 348.830 4.021 20 5 EIBDLO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000492243585 1042587480 /nfs/dbraw/zinc/58/74/80/1042587480.db2.gz WULFAJAYJNBEET-CQSZACIVSA-N 1 2 348.830 4.021 20 5 EIBDLO Cc1ccc(-c2cc(C[N@@H+](C)Cc3ccccc3[N+](=O)[O-])on2)cc1 ZINC000029724651 1043143216 /nfs/dbraw/zinc/14/32/16/1043143216.db2.gz KHVWSVGZQDZPFP-UHFFFAOYSA-N 1 2 337.379 4.190 20 5 EIBDLO Cc1ccc(-c2cc(C[N@H+](C)Cc3ccccc3[N+](=O)[O-])on2)cc1 ZINC000029724651 1043143222 /nfs/dbraw/zinc/14/32/22/1043143222.db2.gz KHVWSVGZQDZPFP-UHFFFAOYSA-N 1 2 337.379 4.190 20 5 EIBDLO Cc1nc(C(C)(C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])sc1C ZINC000173956106 1044197606 /nfs/dbraw/zinc/19/76/06/1044197606.db2.gz IPRTTZPCOOISEF-UHFFFAOYSA-N 1 2 339.848 4.346 20 5 EIBDLO CCOc1ccccc1[C@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494804470 1044309337 /nfs/dbraw/zinc/30/93/37/1044309337.db2.gz CXKCKNGOJRTUJJ-LBPRGKRZSA-N 1 2 334.803 4.498 20 5 EIBDLO O=[N+]([O-])c1ccc(N2CCC(Nc3cccc[nH+]3)CC2)c(C(F)F)c1 ZINC000895346876 1044627809 /nfs/dbraw/zinc/62/78/09/1044627809.db2.gz MMXXWRRCRGGRON-UHFFFAOYSA-N 1 2 348.353 4.008 20 5 EIBDLO C[C@H]1SCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000735673453 1044855749 /nfs/dbraw/zinc/85/57/49/1044855749.db2.gz BRWLEFBUEZXQMP-FZKQIMNGSA-N 1 2 346.427 4.413 20 5 EIBDLO C[C@H]1SCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000735673453 1044855756 /nfs/dbraw/zinc/85/57/56/1044855756.db2.gz BRWLEFBUEZXQMP-FZKQIMNGSA-N 1 2 346.427 4.413 20 5 EIBDLO Cc1cc(C)c(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1 ZINC000097040258 1045141902 /nfs/dbraw/zinc/14/19/02/1045141902.db2.gz FDINRARHDLZVHS-ZDUSSCGKSA-N 1 2 345.424 4.034 20 5 EIBDLO O=[N+]([O-])c1ccc2nc(Oc3cccc(-n4cc[nH+]c4)c3)sc2c1 ZINC000737412863 1045261347 /nfs/dbraw/zinc/26/13/47/1045261347.db2.gz ONDRNKNJYCYLBQ-UHFFFAOYSA-N 1 2 338.348 4.183 20 5 EIBDLO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)Cc1nccc2ccccc21 ZINC000768214591 1045753851 /nfs/dbraw/zinc/75/38/51/1045753851.db2.gz GJCKCXLWPVDZKG-UHFFFAOYSA-N 1 2 341.798 4.428 20 5 EIBDLO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)Cc1nccc2ccccc21 ZINC000768214591 1045753866 /nfs/dbraw/zinc/75/38/66/1045753866.db2.gz GJCKCXLWPVDZKG-UHFFFAOYSA-N 1 2 341.798 4.428 20 5 EIBDLO C[N@H+](Cc1ccc2ncccc2c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000768214925 1045753894 /nfs/dbraw/zinc/75/38/94/1045753894.db2.gz HMCUFLGQNBWDQD-UHFFFAOYSA-N 1 2 341.798 4.428 20 5 EIBDLO C[N@@H+](Cc1ccc2ncccc2c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000768214925 1045753905 /nfs/dbraw/zinc/75/39/05/1045753905.db2.gz HMCUFLGQNBWDQD-UHFFFAOYSA-N 1 2 341.798 4.428 20 5 EIBDLO O=[N+]([O-])c1ccc(Cl)cc1N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000804610341 1046660061 /nfs/dbraw/zinc/66/00/61/1046660061.db2.gz ZFIKTHAITVGQOS-UHFFFAOYSA-N 1 2 348.834 4.142 20 5 EIBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1c(F)cccc1Cl ZINC000788488727 1047201464 /nfs/dbraw/zinc/20/14/64/1047201464.db2.gz LWUFBICIFBHCNS-SECBINFHSA-N 1 2 326.730 4.377 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844467576 1048356303 /nfs/dbraw/zinc/35/63/03/1048356303.db2.gz GCFWHYMTINUQPH-LBPRGKRZSA-N 1 2 337.153 4.133 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844467576 1048356315 /nfs/dbraw/zinc/35/63/15/1048356315.db2.gz GCFWHYMTINUQPH-LBPRGKRZSA-N 1 2 337.153 4.133 20 5 EIBDLO C[C@H]1SCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000609829469 1049349248 /nfs/dbraw/zinc/34/92/48/1049349248.db2.gz VUHAKGJIGOODEN-ACJLOTCBSA-N 1 2 346.427 4.413 20 5 EIBDLO C[C@H]1SCC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000609829469 1049349262 /nfs/dbraw/zinc/34/92/62/1049349262.db2.gz VUHAKGJIGOODEN-ACJLOTCBSA-N 1 2 346.427 4.413 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(/C(Cl)=C/c3cccc4[nH+]ccn43)nc2c1 ZINC000180315228 1049880264 /nfs/dbraw/zinc/88/02/64/1049880264.db2.gz HTSRIRVDEXHTCB-WQLSENKSSA-N 1 2 340.726 4.121 20 5 EIBDLO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1F ZINC000181966630 1050405696 /nfs/dbraw/zinc/40/56/96/1050405696.db2.gz KPACGPQVSYVRDH-VIFPVBQESA-N 1 2 326.730 4.377 20 5 EIBDLO C[C@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000182911527 1050877196 /nfs/dbraw/zinc/87/71/96/1050877196.db2.gz PDKNBDWZWVGYJH-LBPRGKRZSA-N 1 2 326.331 4.093 20 5 EIBDLO O=[N+]([O-])c1sc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1Br ZINC001180281157 1050952706 /nfs/dbraw/zinc/95/27/06/1050952706.db2.gz XDFXLEXBTQSFBY-BXKDBHETSA-N 1 2 345.262 4.183 20 5 EIBDLO O=[N+]([O-])c1sc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1Br ZINC001180281157 1050952720 /nfs/dbraw/zinc/95/27/20/1050952720.db2.gz XDFXLEXBTQSFBY-BXKDBHETSA-N 1 2 345.262 4.183 20 5 EIBDLO CNC(=O)c1ccc(Nc2ccc3[nH+]c4ccccc4cc3c2)cc1 ZINC001174515528 1051047270 /nfs/dbraw/zinc/04/72/70/1051047270.db2.gz YWKYOQXIDUCGDS-UHFFFAOYSA-N 1 2 327.387 4.491 20 5 EIBDLO CC[N@@H+](c1ccc(Nc2nc3ccccn3c2[N+](=O)[O-])cc1)C(C)C ZINC001184757527 1052093353 /nfs/dbraw/zinc/09/33/53/1052093353.db2.gz CPCNBVOLXQYGGM-UHFFFAOYSA-N 1 2 339.399 4.221 20 5 EIBDLO CC[N@H+](c1ccc(Nc2nc3ccccn3c2[N+](=O)[O-])cc1)C(C)C ZINC001184757527 1052093363 /nfs/dbraw/zinc/09/33/63/1052093363.db2.gz CPCNBVOLXQYGGM-UHFFFAOYSA-N 1 2 339.399 4.221 20 5 EIBDLO CCCC[N@H+](C)c1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC001185298559 1052215133 /nfs/dbraw/zinc/21/51/33/1052215133.db2.gz ISZVVKMQENPADI-UHFFFAOYSA-N 1 2 345.428 4.284 20 5 EIBDLO CCCC[N@@H+](C)c1ccc(Nc2nc3sccn3c2[N+](=O)[O-])cc1 ZINC001185298559 1052215140 /nfs/dbraw/zinc/21/51/40/1052215140.db2.gz ISZVVKMQENPADI-UHFFFAOYSA-N 1 2 345.428 4.284 20 5 EIBDLO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)c1nccs1 ZINC000185086836 1052401889 /nfs/dbraw/zinc/40/18/89/1052401889.db2.gz XIIYAPPPHKBCKJ-CQSZACIVSA-N 1 2 335.429 4.079 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184454088 1053001211 /nfs/dbraw/zinc/00/12/11/1053001211.db2.gz BZKQJFJDPMWEBA-NSHDSACASA-N 1 2 349.456 4.208 20 5 EIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000339078378 1053863290 /nfs/dbraw/zinc/86/32/90/1053863290.db2.gz VFUOVNZPIHWJMK-SFHVURJKSA-N 1 2 326.396 4.322 20 5 EIBDLO COc1cccc(C2([NH2+][C@H](C)c3c(F)cccc3[N+](=O)[O-])CC2)c1 ZINC000872057680 1054368927 /nfs/dbraw/zinc/36/89/27/1054368927.db2.gz ZYQCEYLPNSWJES-GFCCVEGCSA-N 1 2 330.359 4.082 20 5 EIBDLO C[C@@H]([NH2+][C@H]1CCCOc2c(F)cccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872060611 1054369932 /nfs/dbraw/zinc/36/99/32/1054369932.db2.gz RXAFDRPZPQOJAD-ABAIWWIYSA-N 1 2 348.349 4.438 20 5 EIBDLO COCC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000872059820 1054370731 /nfs/dbraw/zinc/37/07/31/1054370731.db2.gz IYSBBXWYXDDVOT-JSGCOSHPSA-N 1 2 336.363 4.064 20 5 EIBDLO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064026 1054374962 /nfs/dbraw/zinc/37/49/62/1054374962.db2.gz VKCKJWXPWPYDAV-WCQYABFASA-N 1 2 348.422 4.406 20 5 EIBDLO COc1ccc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c(OC)c1 ZINC000872090287 1054384193 /nfs/dbraw/zinc/38/41/93/1054384193.db2.gz PHVPWYBWIDUKGP-NWDGAFQWSA-N 1 2 348.374 4.163 20 5 EIBDLO C[C@@H]([NH2+]Cc1c(Cl)cncc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001168604584 1055205452 /nfs/dbraw/zinc/20/54/52/1055205452.db2.gz PNDUPQLGHPTDKT-SECBINFHSA-N 1 2 326.183 4.147 20 5 EIBDLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000324821568 1032165628 /nfs/dbraw/zinc/16/56/28/1032165628.db2.gz GVRSYYMNWXCDHO-AWEZNQCLSA-N 1 2 326.400 4.153 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000533078770 1032478267 /nfs/dbraw/zinc/47/82/67/1032478267.db2.gz RTQGNSJVMBFGLZ-QGZVFWFLSA-N 1 2 337.379 4.463 20 5 EIBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCCC[C@@H]2c2nc3ccccc3o2)c1 ZINC000533078770 1032478272 /nfs/dbraw/zinc/47/82/72/1032478272.db2.gz RTQGNSJVMBFGLZ-QGZVFWFLSA-N 1 2 337.379 4.463 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+]Cc2cc(COC(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000186826189 1032479730 /nfs/dbraw/zinc/47/97/30/1032479730.db2.gz AWHFSKUXEFGXEI-ZDUSSCGKSA-N 1 2 347.415 4.057 20 5 EIBDLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2csc([N+](=O)[O-])c2)c1 ZINC000047265228 1021126616 /nfs/dbraw/zinc/12/66/16/1021126616.db2.gz WUCVJSPGZTWLSE-HNNXBMFYSA-N 1 2 348.424 4.011 20 5 EIBDLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2csc([N+](=O)[O-])c2)c1 ZINC000047265228 1021126623 /nfs/dbraw/zinc/12/66/23/1021126623.db2.gz WUCVJSPGZTWLSE-HNNXBMFYSA-N 1 2 348.424 4.011 20 5 EIBDLO CCC(CC)c1cc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])on1 ZINC000893064133 1023741941 /nfs/dbraw/zinc/74/19/41/1023741941.db2.gz MBOIHQFPOZOURF-UHFFFAOYSA-N 1 2 337.807 4.430 20 5 EIBDLO CC[C@@H]([NH2+]Cc1nc(C)c2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000178461108 1025133289 /nfs/dbraw/zinc/13/32/89/1025133289.db2.gz IBMNUSOQXOOGMH-QGZVFWFLSA-N 1 2 336.395 4.087 20 5 EIBDLO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000893621529 1025591093 /nfs/dbraw/zinc/59/10/93/1025591093.db2.gz PAXKRKZSDQRBMQ-HNNXBMFYSA-N 1 2 348.834 4.193 20 5 EIBDLO CC[C@@H]1C[C@@]1([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(C)c1 ZINC000500510775 1026809838 /nfs/dbraw/zinc/80/98/38/1026809838.db2.gz BNVMJSLMJIBBJA-BEFAXECRSA-N 1 2 326.396 4.024 20 5 EIBDLO O=[N+]([O-])c1cccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000444018996 1028742037 /nfs/dbraw/zinc/74/20/37/1028742037.db2.gz WPDRBKJXYZZHLB-UHFFFAOYSA-N 1 2 348.406 4.407 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346967073 1028833352 /nfs/dbraw/zinc/83/33/52/1028833352.db2.gz DEAOAQFPDIHNOX-GOSISDBHSA-N 1 2 341.411 4.114 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346967073 1028833359 /nfs/dbraw/zinc/83/33/59/1028833359.db2.gz DEAOAQFPDIHNOX-GOSISDBHSA-N 1 2 341.411 4.114 20 5 EIBDLO CCc1nc(C[N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)cs1 ZINC000526063578 1030259216 /nfs/dbraw/zinc/25/92/16/1030259216.db2.gz RBJMFNXDTAUTLE-JYRVWZFOSA-N 1 2 331.441 4.149 20 5 EIBDLO CCc1nc(C[N@@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)cs1 ZINC000526063578 1030259242 /nfs/dbraw/zinc/25/92/42/1030259242.db2.gz RBJMFNXDTAUTLE-JYRVWZFOSA-N 1 2 331.441 4.149 20 5 EIBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000780383882 1031067796 /nfs/dbraw/zinc/06/77/96/1031067796.db2.gz CMZBJEHBFZKYGH-KOLCDFICSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000780383882 1031067808 /nfs/dbraw/zinc/06/78/08/1031067808.db2.gz CMZBJEHBFZKYGH-KOLCDFICSA-N 1 2 336.741 4.411 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC000595018000 1035509185 /nfs/dbraw/zinc/50/91/85/1035509185.db2.gz ZJYHIPZANDRCBO-JTQLQIEISA-N 1 2 338.766 4.247 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000595023761 1035510330 /nfs/dbraw/zinc/51/03/30/1035510330.db2.gz SVDMORJOQPQBNN-GFCCVEGCSA-N 1 2 347.440 4.098 20 5 EIBDLO CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2Cc2onc(C)c2[N+](=O)[O-])o1 ZINC000595335215 1035637318 /nfs/dbraw/zinc/63/73/18/1035637318.db2.gz SMFODADIAZNCFX-SMDDNHRTSA-N 1 2 333.388 4.020 20 5 EIBDLO CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2Cc2onc(C)c2[N+](=O)[O-])o1 ZINC000595335215 1035637335 /nfs/dbraw/zinc/63/73/35/1035637335.db2.gz SMFODADIAZNCFX-SMDDNHRTSA-N 1 2 333.388 4.020 20 5 EIBDLO Cc1noc(C[NH2+][C@@H](C)c2ccc(SC(C)C)cc2)c1[N+](=O)[O-] ZINC000595414307 1035672056 /nfs/dbraw/zinc/67/20/56/1035672056.db2.gz HDEGUUVJFWZYHA-NSHDSACASA-N 1 2 335.429 4.243 20 5 EIBDLO Cc1cc([C@H]2C[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491160604 1035818930 /nfs/dbraw/zinc/81/89/30/1035818930.db2.gz IGMYATJJKQCGEI-AUUYWEPGSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1cc([C@H]2C[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F ZINC000491160604 1035818935 /nfs/dbraw/zinc/81/89/35/1035818935.db2.gz IGMYATJJKQCGEI-AUUYWEPGSA-N 1 2 344.386 4.177 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000545890961 1036104161 /nfs/dbraw/zinc/10/41/61/1036104161.db2.gz VYQKPCFPSSHMFQ-OAHLLOKOSA-N 1 2 348.406 4.211 20 5 EIBDLO Cc1csc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000599044327 1036854637 /nfs/dbraw/zinc/85/46/37/1036854637.db2.gz OSFMBPFBLKDJMG-SECBINFHSA-N 1 2 345.346 4.229 20 5 EIBDLO CCOc1ccc([C@@H](C)Nc2ccc3c(c2)CC[NH2+]3)cc1[N+](=O)[O-] ZINC000423210428 1038039651 /nfs/dbraw/zinc/03/96/51/1038039651.db2.gz GGTRUMLUYYNGIR-GFCCVEGCSA-N 1 2 327.384 4.135 20 5 EIBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000555427621 1039193089 /nfs/dbraw/zinc/19/30/89/1039193089.db2.gz FHXXRDXSKUQLIU-ZDUSSCGKSA-N 1 2 326.396 4.030 20 5 EIBDLO Cc1ccc2[nH+]cc(/C=C\c3nc4cc([N+](=O)[O-])ccc4s3)n2c1 ZINC000434928172 1039939527 /nfs/dbraw/zinc/93/95/27/1039939527.db2.gz VVKHACYBRLORHF-DAXSKMNVSA-N 1 2 336.376 4.331 20 5 EIBDLO Cc1c([C@@H](C)Nc2ccc(N3CCCCC3)[nH+]c2)cccc1[N+](=O)[O-] ZINC000540836652 1041695256 /nfs/dbraw/zinc/69/52/56/1041695256.db2.gz HLBUVNPOZFDGRJ-OAHLLOKOSA-N 1 2 340.427 4.462 20 5 EIBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(-c2cccnc2)cc1 ZINC000549928015 1042492093 /nfs/dbraw/zinc/49/20/93/1042492093.db2.gz JTNWQXLPTCPZGR-CQSZACIVSA-N 1 2 349.390 4.213 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2c(F)c(F)cc(F)c2F)cc1Cl ZINC000761525518 1042877065 /nfs/dbraw/zinc/87/70/65/1042877065.db2.gz KYHYQWLPVJUSEK-UHFFFAOYSA-N 1 2 348.683 4.094 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccccn1)C(C)C ZINC000609193171 1043444568 /nfs/dbraw/zinc/44/45/68/1043444568.db2.gz RCXXZHODHZCQEY-UHFFFAOYSA-N 1 2 343.427 4.188 20 5 EIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccccn1)C(C)C ZINC000609193171 1043444578 /nfs/dbraw/zinc/44/45/78/1043444578.db2.gz RCXXZHODHZCQEY-UHFFFAOYSA-N 1 2 343.427 4.188 20 5 EIBDLO COc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000735493121 1044832067 /nfs/dbraw/zinc/83/20/67/1044832067.db2.gz VSCXUUOEHMKLIJ-UHFFFAOYSA-N 1 2 334.803 4.197 20 5 EIBDLO COc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000735493121 1044832068 /nfs/dbraw/zinc/83/20/68/1044832068.db2.gz VSCXUUOEHMKLIJ-UHFFFAOYSA-N 1 2 334.803 4.197 20 5 EIBDLO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000509006579 1044897133 /nfs/dbraw/zinc/89/71/33/1044897133.db2.gz LINHSVXTMZVKCV-SECBINFHSA-N 1 2 326.730 4.377 20 5 EIBDLO Cc1cc(C)c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000097040209 1044981305 /nfs/dbraw/zinc/98/13/05/1044981305.db2.gz PFCXYYNVIZHBMT-FNORWQNLSA-N 1 2 345.786 4.220 20 5 EIBDLO CC(C)Oc1ccccc1[C@@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000611380240 1045293616 /nfs/dbraw/zinc/29/36/16/1045293616.db2.gz KLESDZIQRASYHK-CYBMUJFWSA-N 1 2 332.375 4.372 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2coc(-c3ccccc3)n2)C2CC2)cc1 ZINC000130359357 1047112376 /nfs/dbraw/zinc/11/23/76/1047112376.db2.gz CGUBSWQCZDODNK-UHFFFAOYSA-N 1 2 349.390 4.414 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2coc(-c3ccccc3)n2)C2CC2)cc1 ZINC000130359357 1047112388 /nfs/dbraw/zinc/11/23/88/1047112388.db2.gz CGUBSWQCZDODNK-UHFFFAOYSA-N 1 2 349.390 4.414 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1F ZINC000788478877 1047198384 /nfs/dbraw/zinc/19/83/84/1047198384.db2.gz KNSJAARSELFUMV-UHFFFAOYSA-N 1 2 336.313 4.177 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc1F ZINC000788478877 1047198391 /nfs/dbraw/zinc/19/83/91/1047198391.db2.gz KNSJAARSELFUMV-UHFFFAOYSA-N 1 2 336.313 4.177 20 5 EIBDLO CC(C)CO[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809953101 1048579225 /nfs/dbraw/zinc/57/92/25/1048579225.db2.gz ITQZXEFVTRHPBI-ZDUSSCGKSA-N 1 2 347.242 4.149 20 5 EIBDLO CC(C)CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809953101 1048579236 /nfs/dbraw/zinc/57/92/36/1048579236.db2.gz ITQZXEFVTRHPBI-ZDUSSCGKSA-N 1 2 347.242 4.149 20 5 EIBDLO C[C@H]1SCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000609829452 1049349683 /nfs/dbraw/zinc/34/96/83/1049349683.db2.gz PCPRWNDDAMJZLU-MLGOLLRUSA-N 1 2 334.466 4.335 20 5 EIBDLO C[C@H]1SCC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000609829452 1049349692 /nfs/dbraw/zinc/34/96/92/1049349692.db2.gz PCPRWNDDAMJZLU-MLGOLLRUSA-N 1 2 334.466 4.335 20 5 EIBDLO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc(F)cc1F ZINC000179626691 1049691240 /nfs/dbraw/zinc/69/12/40/1049691240.db2.gz SVNJAMVMALYFPJ-AWEZNQCLSA-N 1 2 347.321 4.255 20 5 EIBDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000179905806 1049797033 /nfs/dbraw/zinc/79/70/33/1049797033.db2.gz SINAEYAOXXOCKF-SNVBAGLBSA-N 1 2 338.766 4.247 20 5 EIBDLO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000181729853 1050316006 /nfs/dbraw/zinc/31/60/06/1050316006.db2.gz JZBPYRWOTNSHQL-JTQLQIEISA-N 1 2 338.766 4.247 20 5 EIBDLO C[C@@H](Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000182911500 1050876297 /nfs/dbraw/zinc/87/62/97/1050876297.db2.gz LVYWCLLJVKSSDH-GFCCVEGCSA-N 1 2 326.331 4.093 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)cc1 ZINC000183743467 1051352731 /nfs/dbraw/zinc/35/27/31/1051352731.db2.gz LPAWDIJMYAPDBH-LJQANCHMSA-N 1 2 337.354 4.008 20 5 EIBDLO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000774796844 1052130076 /nfs/dbraw/zinc/13/00/76/1052130076.db2.gz GMOZFJINUUKIFC-SECBINFHSA-N 1 2 326.730 4.377 20 5 EIBDLO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000774908683 1052275310 /nfs/dbraw/zinc/27/53/10/1052275310.db2.gz IXRVOHDKPYWGJF-WBMJQRKESA-N 1 2 345.355 4.069 20 5 EIBDLO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000774908683 1052275314 /nfs/dbraw/zinc/27/53/14/1052275314.db2.gz IXRVOHDKPYWGJF-WBMJQRKESA-N 1 2 345.355 4.069 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC001196003566 1053552352 /nfs/dbraw/zinc/55/23/52/1053552352.db2.gz BBOKPFSDVPGAPO-GOSISDBHSA-N 1 2 342.395 4.314 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC001196003566 1053552362 /nfs/dbraw/zinc/55/23/62/1053552362.db2.gz BBOKPFSDVPGAPO-GOSISDBHSA-N 1 2 342.395 4.314 20 5 EIBDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cc1F ZINC000852521654 1053587266 /nfs/dbraw/zinc/58/72/66/1053587266.db2.gz SOSYUMGGCSWVRS-MRXNPFEDSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cc1F ZINC000852521654 1053587275 /nfs/dbraw/zinc/58/72/75/1053587275.db2.gz SOSYUMGGCSWVRS-MRXNPFEDSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cc1F ZINC000852521653 1053587566 /nfs/dbraw/zinc/58/75/66/1053587566.db2.gz SOSYUMGGCSWVRS-INIZCTEOSA-N 1 2 348.349 4.219 20 5 EIBDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(F)c2)cc1F ZINC000852521653 1053587579 /nfs/dbraw/zinc/58/75/79/1053587579.db2.gz SOSYUMGGCSWVRS-INIZCTEOSA-N 1 2 348.349 4.219 20 5 EIBDLO CC[C@H]([NH2+][C@@H]1c2ccccc2OC[C@@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000866282966 1053676129 /nfs/dbraw/zinc/67/61/29/1053676129.db2.gz SYVNNLMTFUOSIW-XYJFISCASA-N 1 2 330.359 4.107 20 5 EIBDLO Cc1ncsc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338986724 1054022392 /nfs/dbraw/zinc/02/23/92/1054022392.db2.gz QLSGZUFHLVKCTL-UHFFFAOYSA-N 1 2 345.346 4.011 20 5 EIBDLO Cc1ncsc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338986724 1054022400 /nfs/dbraw/zinc/02/24/00/1054022400.db2.gz QLSGZUFHLVKCTL-UHFFFAOYSA-N 1 2 345.346 4.011 20 5 EIBDLO C[C@H]([NH2+][C@@H]1CCCOc2cc(F)ccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872058339 1054367872 /nfs/dbraw/zinc/36/78/72/1054367872.db2.gz RTXUGOGBULQTFN-XHDPSFHLSA-N 1 2 348.349 4.438 20 5 EIBDLO C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872065090 1054374936 /nfs/dbraw/zinc/37/49/36/1054374936.db2.gz SPJVHIPFJUYECS-YGRLFVJLSA-N 1 2 334.322 4.047 20 5 EIBDLO CC(C)c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1[N+](=O)[O-] ZINC000873168058 1054497432 /nfs/dbraw/zinc/49/74/32/1054497432.db2.gz SJTDQGPIPKNDDH-UHFFFAOYSA-N 1 2 325.821 4.118 20 5 EIBDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccns1 ZINC000860061523 1054764559 /nfs/dbraw/zinc/76/45/59/1054764559.db2.gz KYNNLYYZJCTNEZ-ZETCQYMHSA-N 1 2 332.212 4.209 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)cc1F ZINC000860205170 1054786458 /nfs/dbraw/zinc/78/64/58/1054786458.db2.gz NHZKICZJPIORTH-UHFFFAOYSA-N 1 2 336.313 4.181 20 5 EIBDLO CC1(C)CCc2onc(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)c2C1 ZINC000877810160 1055125838 /nfs/dbraw/zinc/12/58/38/1055125838.db2.gz PVJLSINXYKLDKM-UHFFFAOYSA-N 1 2 349.818 4.041 20 5 EIBDLO CC1=C(Br)C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000797526692 1055126833 /nfs/dbraw/zinc/12/68/33/1055126833.db2.gz AKKYVQDJBHEGFR-LLVKDONJSA-N 1 2 325.206 4.030 20 5 EIBDLO CC1=C(Br)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000797526692 1055126841 /nfs/dbraw/zinc/12/68/41/1055126841.db2.gz AKKYVQDJBHEGFR-LLVKDONJSA-N 1 2 325.206 4.030 20 5 EIBDLO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000324821570 1032164994 /nfs/dbraw/zinc/16/49/94/1032164994.db2.gz GVRSYYMNWXCDHO-CQSZACIVSA-N 1 2 326.400 4.153 20 5 EIBDLO Cc1cccn2c(/C=C/c3ccc4cc([N+](=O)[O-])ccc4n3)c[nH+]c12 ZINC000471473569 1021124984 /nfs/dbraw/zinc/12/49/84/1021124984.db2.gz XNMCUQWINOPLIN-VOTSOKGWSA-N 1 2 330.347 4.270 20 5 EIBDLO C[C@H]([NH2+]Cc1ncc(-c2ccc(F)cc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000180403557 1022629684 /nfs/dbraw/zinc/62/96/84/1022629684.db2.gz XRMSYWGGJVCBET-LBPRGKRZSA-N 1 2 341.342 4.240 20 5 EIBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472596734 1022736177 /nfs/dbraw/zinc/73/61/77/1022736177.db2.gz BKZKDFBFBVFMFL-HXUWFJFHSA-N 1 2 338.407 4.065 20 5 EIBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000472596734 1022736213 /nfs/dbraw/zinc/73/62/13/1022736213.db2.gz BKZKDFBFBVFMFL-HXUWFJFHSA-N 1 2 338.407 4.065 20 5 EIBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000549506630 1023814001 /nfs/dbraw/zinc/81/40/01/1023814001.db2.gz AILSGVYEISGXFI-HNNXBMFYSA-N 1 2 339.317 4.279 20 5 EIBDLO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000549506630 1023814005 /nfs/dbraw/zinc/81/40/05/1023814005.db2.gz AILSGVYEISGXFI-HNNXBMFYSA-N 1 2 339.317 4.279 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000430750291 1024008774 /nfs/dbraw/zinc/00/87/74/1024008774.db2.gz NPDJQKCEWHYOLI-SECBINFHSA-N 1 2 342.292 4.310 20 5 EIBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1 ZINC000178384574 1024529796 /nfs/dbraw/zinc/52/97/96/1024529796.db2.gz KUXYZRGKTWHOPX-CHWSQXEVSA-N 1 2 338.367 4.057 20 5 EIBDLO CO[C@H](C)c1nc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)cs1 ZINC000344719519 1026560559 /nfs/dbraw/zinc/56/05/59/1026560559.db2.gz YADCGSNDSJGWRG-GFCCVEGCSA-N 1 2 349.456 4.172 20 5 EIBDLO Cn1c[nH+]c2cc(Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc21 ZINC000439705296 1029030066 /nfs/dbraw/zinc/03/00/66/1029030066.db2.gz UIINSWPPOZOGNI-UHFFFAOYSA-N 1 2 336.273 4.244 20 5 EIBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611800188 1029522961 /nfs/dbraw/zinc/52/29/61/1029522961.db2.gz UPOPRVLCECCZBK-MWLCHTKSSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611800188 1029522969 /nfs/dbraw/zinc/52/29/69/1029522969.db2.gz UPOPRVLCECCZBK-MWLCHTKSSA-N 1 2 336.741 4.411 20 5 EIBDLO Cc1ccc(C)c([C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000441445619 1030077812 /nfs/dbraw/zinc/07/78/12/1030077812.db2.gz YVXCMWFXSTUTIT-JXFKEZNVSA-N 1 2 340.423 4.174 20 5 EIBDLO Cc1ccc(C)c([C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)[C@@H](C)CO2)c1 ZINC000441445619 1030077832 /nfs/dbraw/zinc/07/78/32/1030077832.db2.gz YVXCMWFXSTUTIT-JXFKEZNVSA-N 1 2 340.423 4.174 20 5 EIBDLO CC(C)CCc1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000451102297 1030249154 /nfs/dbraw/zinc/24/91/54/1030249154.db2.gz CKBYXDMBGDDLEW-ZDUSSCGKSA-N 1 2 333.457 4.491 20 5 EIBDLO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2cnc(C3CC3)o2)c2ccccc2)c1 ZINC000453346442 1031872627 /nfs/dbraw/zinc/87/26/27/1031872627.db2.gz ICRMIMUCXCRHMW-LJQANCHMSA-N 1 2 349.390 4.339 20 5 EIBDLO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(F)c(Cl)c1 ZINC000433246007 1034097233 /nfs/dbraw/zinc/09/72/33/1034097233.db2.gz KLJWWGVYWZZKOW-UHFFFAOYSA-N 1 2 349.749 4.161 20 5 EIBDLO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(F)c(Cl)c1 ZINC000433246007 1034097246 /nfs/dbraw/zinc/09/72/46/1034097246.db2.gz KLJWWGVYWZZKOW-UHFFFAOYSA-N 1 2 349.749 4.161 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000182847507 1035004814 /nfs/dbraw/zinc/00/48/14/1035004814.db2.gz QNGVJNVIRSSZNC-CJNGLKHVSA-N 1 2 332.425 4.099 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000182847507 1035004825 /nfs/dbraw/zinc/00/48/25/1035004825.db2.gz QNGVJNVIRSSZNC-CJNGLKHVSA-N 1 2 332.425 4.099 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000595012065 1035504566 /nfs/dbraw/zinc/50/45/66/1035504566.db2.gz NAZDSJRXDTZXNV-LLVKDONJSA-N 1 2 349.456 4.208 20 5 EIBDLO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1nc(C(C)C)cs1 ZINC000595013210 1035505832 /nfs/dbraw/zinc/50/58/32/1035505832.db2.gz GABWMQHHPDLZEX-NSHDSACASA-N 1 2 335.429 4.034 20 5 EIBDLO Cc1csc(C2([NH2+]Cc3ccc(F)cc3[N+](=O)[O-])CCCC2)n1 ZINC000595381829 1035668361 /nfs/dbraw/zinc/66/83/61/1035668361.db2.gz KMVCVPOMTQBIES-UHFFFAOYSA-N 1 2 335.404 4.058 20 5 EIBDLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000588216136 1036301982 /nfs/dbraw/zinc/30/19/82/1036301982.db2.gz VHRFXJNKOFEBSV-INIZCTEOSA-N 1 2 332.375 4.326 20 5 EIBDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000588216136 1036301999 /nfs/dbraw/zinc/30/19/99/1036301999.db2.gz VHRFXJNKOFEBSV-INIZCTEOSA-N 1 2 332.375 4.326 20 5 EIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(Cl)ccc2F)c(Cl)c1 ZINC000183799152 1037246182 /nfs/dbraw/zinc/24/61/82/1037246182.db2.gz LGWGLYFKKPALLB-UHFFFAOYSA-N 1 2 329.158 4.331 20 5 EIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000489276934 1037924775 /nfs/dbraw/zinc/92/47/75/1037924775.db2.gz KXUZELAWSCNIEN-SCLBCKFNSA-N 1 2 346.814 4.383 20 5 EIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000489276934 1037924794 /nfs/dbraw/zinc/92/47/94/1037924794.db2.gz KXUZELAWSCNIEN-SCLBCKFNSA-N 1 2 346.814 4.383 20 5 EIBDLO C[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1cccs1 ZINC000505611641 1040097682 /nfs/dbraw/zinc/09/76/82/1040097682.db2.gz QJRILNSYACKOJF-UHFFFAOYSA-N 1 2 345.449 4.412 20 5 EIBDLO C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)Cc1cccs1 ZINC000505611641 1040097702 /nfs/dbraw/zinc/09/77/02/1040097702.db2.gz QJRILNSYACKOJF-UHFFFAOYSA-N 1 2 345.449 4.412 20 5 EIBDLO O=[N+]([O-])c1ccccc1COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000514744448 1040190288 /nfs/dbraw/zinc/19/02/88/1040190288.db2.gz XEOVTTMSDBOKHT-UHFFFAOYSA-N 1 2 349.390 4.374 20 5 EIBDLO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000553911028 1040625756 /nfs/dbraw/zinc/62/57/56/1040625756.db2.gz XXHQTPIQDUFOBP-MLGOLLRUSA-N 1 2 331.803 4.226 20 5 EIBDLO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000553911028 1040625767 /nfs/dbraw/zinc/62/57/67/1040625767.db2.gz XXHQTPIQDUFOBP-MLGOLLRUSA-N 1 2 331.803 4.226 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1ccc(N2CCCC2)[nH+]c1 ZINC000539660187 1040664438 /nfs/dbraw/zinc/66/44/38/1040664438.db2.gz JSLGWBIMWDLCBW-CQSZACIVSA-N 1 2 326.400 4.072 20 5 EIBDLO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COc3c2ccc(Cl)c3Cl)cs1 ZINC000538411334 1041328882 /nfs/dbraw/zinc/32/88/82/1041328882.db2.gz DYSWMASIHIWIOH-SNVBAGLBSA-N 1 2 345.207 4.186 20 5 EIBDLO COc1cc(C[N@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1F ZINC000463480907 1041590362 /nfs/dbraw/zinc/59/03/62/1041590362.db2.gz JFZSHHAFHRIQJL-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO COc1cc(C[N@@H+](C)Cc2cccc(Cl)c2)c([N+](=O)[O-])cc1F ZINC000463480907 1041590369 /nfs/dbraw/zinc/59/03/69/1041590369.db2.gz JFZSHHAFHRIQJL-UHFFFAOYSA-N 1 2 338.766 4.028 20 5 EIBDLO COc1ccc2c(c1)C[C@H](C)[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]2C ZINC000540994966 1041772378 /nfs/dbraw/zinc/77/23/78/1041772378.db2.gz LXDFNRAHIWTZPH-RYUDHWBXSA-N 1 2 332.425 4.173 20 5 EIBDLO COc1ccc2c(c1)C[C@H](C)[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]2C ZINC000540994966 1041772384 /nfs/dbraw/zinc/77/23/84/1041772384.db2.gz LXDFNRAHIWTZPH-RYUDHWBXSA-N 1 2 332.425 4.173 20 5 EIBDLO Cc1cc(C)c(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])c(C)[nH+]1 ZINC000460461410 1041980238 /nfs/dbraw/zinc/98/02/38/1041980238.db2.gz LRCZXTKZFJHVAB-UHFFFAOYSA-N 1 2 333.775 4.129 20 5 EIBDLO CC(C)COC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000541629503 1042044708 /nfs/dbraw/zinc/04/47/08/1042044708.db2.gz ZAMSFGYFFLJYLX-GDBMZVCRSA-N 1 2 332.400 4.252 20 5 EIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000439548600 1042681572 /nfs/dbraw/zinc/68/15/72/1042681572.db2.gz JOUAJTMZHUZNJQ-CQSZACIVSA-N 1 2 345.830 4.131 20 5 EIBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1F ZINC000543893320 1042731005 /nfs/dbraw/zinc/73/10/05/1042731005.db2.gz MNYUCILCSGKORT-SECBINFHSA-N 1 2 326.730 4.377 20 5 EIBDLO COc1ccc([C@H](C)[N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000494146431 1043021829 /nfs/dbraw/zinc/02/18/29/1043021829.db2.gz SWRHTFPGHXRWRJ-LBPRGKRZSA-N 1 2 334.803 4.450 20 5 EIBDLO COc1ccc([C@H](C)[N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000494146431 1043021835 /nfs/dbraw/zinc/02/18/35/1043021835.db2.gz SWRHTFPGHXRWRJ-LBPRGKRZSA-N 1 2 334.803 4.450 20 5 EIBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611554885 1043049044 /nfs/dbraw/zinc/04/90/44/1043049044.db2.gz ABCQUIQLJRTWGO-GXSJLCMTSA-N 1 2 336.741 4.411 20 5 EIBDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611554885 1043049054 /nfs/dbraw/zinc/04/90/54/1043049054.db2.gz ABCQUIQLJRTWGO-GXSJLCMTSA-N 1 2 336.741 4.411 20 5 EIBDLO O=[N+]([O-])c1ccc(Oc2cccc(-n3cc[nH+]c3)c2)cc1OC(F)F ZINC000301964004 1044498314 /nfs/dbraw/zinc/49/83/14/1044498314.db2.gz SRLUHWQTSYQMHO-UHFFFAOYSA-N 1 2 347.277 4.174 20 5 EIBDLO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000185105478 1044714839 /nfs/dbraw/zinc/71/48/39/1044714839.db2.gz HICZAWDZGOFJMI-INIZCTEOSA-N 1 2 341.411 4.122 20 5 EIBDLO O=[N+]([O-])c1cnc(Nc2ccc([NH+]3CCCCC3)cc2)c(Cl)c1 ZINC000736284085 1044920878 /nfs/dbraw/zinc/92/08/78/1044920878.db2.gz KHKJVNWZLYSUAI-UHFFFAOYSA-N 1 2 332.791 4.377 20 5 EIBDLO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000509024078 1044948541 /nfs/dbraw/zinc/94/85/41/1044948541.db2.gz TUNZFLFLSJNTOL-UHFFFAOYSA-N 1 2 338.741 4.305 20 5 EIBDLO C[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000392215802 1045026914 /nfs/dbraw/zinc/02/69/14/1045026914.db2.gz QOQSZFJJAGBRSD-AWEZNQCLSA-N 1 2 326.400 4.153 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000301080681 1045362222 /nfs/dbraw/zinc/36/22/22/1045362222.db2.gz HUCFORPITLORSC-UHFFFAOYSA-N 1 2 346.818 4.246 20 5 EIBDLO Cc1cc(C)c(NC(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)[nH+]1 ZINC000455469678 1045669385 /nfs/dbraw/zinc/66/93/85/1045669385.db2.gz ADLIJBIOBKEAEF-ZDUSSCGKSA-N 1 2 342.399 4.106 20 5 EIBDLO COc1ccc(C[C@H](C)[N@@H+]2Cc3cccc(Cl)c3C2)c([N+](=O)[O-])c1 ZINC001170352880 1046008619 /nfs/dbraw/zinc/00/86/19/1046008619.db2.gz SQXCIOWGENAHNW-LBPRGKRZSA-N 1 2 346.814 4.204 20 5 EIBDLO COc1ccc(C[C@H](C)[N@H+]2Cc3cccc(Cl)c3C2)c([N+](=O)[O-])c1 ZINC001170352880 1046008639 /nfs/dbraw/zinc/00/86/39/1046008639.db2.gz SQXCIOWGENAHNW-LBPRGKRZSA-N 1 2 346.814 4.204 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844467574 1048354631 /nfs/dbraw/zinc/35/46/31/1048354631.db2.gz GCFWHYMTINUQPH-GFCCVEGCSA-N 1 2 337.153 4.133 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844467574 1048354645 /nfs/dbraw/zinc/35/46/45/1048354645.db2.gz GCFWHYMTINUQPH-GFCCVEGCSA-N 1 2 337.153 4.133 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000810011048 1048602093 /nfs/dbraw/zinc/60/20/93/1048602093.db2.gz DJZNYZQANUBSPC-KBPBESRZSA-N 1 2 345.226 4.045 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000810011048 1048602097 /nfs/dbraw/zinc/60/20/97/1048602097.db2.gz DJZNYZQANUBSPC-KBPBESRZSA-N 1 2 345.226 4.045 20 5 EIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000811486573 1049082670 /nfs/dbraw/zinc/08/26/70/1049082670.db2.gz NZBLYQSSRZPCFH-UHFFFAOYSA-N 1 2 346.601 4.240 20 5 EIBDLO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1cccnc1Cl ZINC000773041486 1049544890 /nfs/dbraw/zinc/54/48/90/1049544890.db2.gz QGIYMRYJGIONJW-SECBINFHSA-N 1 2 326.183 4.147 20 5 EIBDLO C[N@H+](Cc1nnc[nH]1)Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000179791179 1049761540 /nfs/dbraw/zinc/76/15/40/1049761540.db2.gz PTPVRWCRDVBAHK-UHFFFAOYSA-N 1 2 336.826 4.397 20 5 EIBDLO C[N@@H+](Cc1nnc[nH]1)Cc1c2ccccc2c(Cl)c2ccccc21 ZINC000179791179 1049761545 /nfs/dbraw/zinc/76/15/45/1049761545.db2.gz PTPVRWCRDVBAHK-UHFFFAOYSA-N 1 2 336.826 4.397 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000181817529 1050342071 /nfs/dbraw/zinc/34/20/71/1050342071.db2.gz IGFHCCJBZITEBB-CQSZACIVSA-N 1 2 337.379 4.409 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(F)c(F)c2F)C2CC2)cc1 ZINC001204270177 1051004258 /nfs/dbraw/zinc/00/42/58/1051004258.db2.gz KPVQLRGNAJJFCX-UHFFFAOYSA-N 1 2 336.313 4.177 20 5 EIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(F)c(F)c2F)C2CC2)cc1 ZINC001204270177 1051004273 /nfs/dbraw/zinc/00/42/73/1051004273.db2.gz KPVQLRGNAJJFCX-UHFFFAOYSA-N 1 2 336.313 4.177 20 5 EIBDLO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1nc2ccccc2s1 ZINC000183242837 1051032037 /nfs/dbraw/zinc/03/20/37/1051032037.db2.gz LTFIZDHBJCPAFT-UHFFFAOYSA-N 1 2 327.409 4.145 20 5 EIBDLO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1nc2ccccc2s1 ZINC000183242837 1051032048 /nfs/dbraw/zinc/03/20/48/1051032048.db2.gz LTFIZDHBJCPAFT-UHFFFAOYSA-N 1 2 327.409 4.145 20 5 EIBDLO Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(Cl)n1 ZINC001190526648 1051207038 /nfs/dbraw/zinc/20/70/38/1051207038.db2.gz BQHGLMMJJQDVAU-UHFFFAOYSA-N 1 2 333.819 4.362 20 5 EIBDLO Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(Cl)n1 ZINC001190526648 1051207049 /nfs/dbraw/zinc/20/70/49/1051207049.db2.gz BQHGLMMJJQDVAU-UHFFFAOYSA-N 1 2 333.819 4.362 20 5 EIBDLO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1C ZINC001191143464 1051381462 /nfs/dbraw/zinc/38/14/62/1051381462.db2.gz DFZIVSWGQDOTMK-IBGZPJMESA-N 1 2 326.396 4.254 20 5 EIBDLO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])c1C ZINC001191143464 1051381471 /nfs/dbraw/zinc/38/14/71/1051381471.db2.gz DFZIVSWGQDOTMK-IBGZPJMESA-N 1 2 326.396 4.254 20 5 EIBDLO Cc1cnc(C(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)s1 ZINC000183956603 1051680655 /nfs/dbraw/zinc/68/06/55/1051680655.db2.gz BTMSSJPMWQGOPC-UHFFFAOYSA-N 1 2 349.456 4.172 20 5 EIBDLO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000774868378 1052229564 /nfs/dbraw/zinc/22/95/64/1052229564.db2.gz OEARBTGHSKSMSK-SECBINFHSA-N 1 2 326.730 4.377 20 5 EIBDLO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)c1nccs1 ZINC000339083677 1053947250 /nfs/dbraw/zinc/94/72/50/1053947250.db2.gz NTOHLKKSDGQOSR-GFCCVEGCSA-N 1 2 345.346 4.311 20 5 EIBDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000872050349 1054362047 /nfs/dbraw/zinc/36/20/47/1054362047.db2.gz ZDAYLWJKHJIIEB-NWDGAFQWSA-N 1 2 347.346 4.362 20 5 EIBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000872050348 1054362548 /nfs/dbraw/zinc/36/25/48/1054362548.db2.gz ZDAYLWJKHJIIEB-NEPJUHHUSA-N 1 2 347.346 4.362 20 5 EIBDLO COCC[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000872059822 1054370382 /nfs/dbraw/zinc/37/03/82/1054370382.db2.gz IYSBBXWYXDDVOT-TZMCWYRMSA-N 1 2 336.363 4.064 20 5 EIBDLO C[C@@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872060612 1054370437 /nfs/dbraw/zinc/37/04/37/1054370437.db2.gz RXAFDRPZPQOJAD-IAQYHMDHSA-N 1 2 348.349 4.438 20 5 EIBDLO C[C@H]([NH2+][C@@H]1CCCOc2c(F)cccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872060614 1054371241 /nfs/dbraw/zinc/37/12/41/1054371241.db2.gz RXAFDRPZPQOJAD-XHDPSFHLSA-N 1 2 348.349 4.438 20 5 EIBDLO CC1(C)C[C@@H]([NH2+]Cc2ncc(Cl)s2)c2cc([N+](=O)[O-])ccc21 ZINC000872116592 1054395607 /nfs/dbraw/zinc/39/56/07/1054395607.db2.gz SXPIYCDWBVFCNC-GFCCVEGCSA-N 1 2 337.832 4.217 20 5 EIBDLO Cc1ccccc1[C@@H]1C[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000610217569 1019423275 /nfs/dbraw/zinc/42/32/75/1019423275.db2.gz JADHLEBTZIACDL-BEFAXECRSA-N 1 2 326.396 4.038 20 5 EIBDLO Cc1ccccc1[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000610217569 1019423289 /nfs/dbraw/zinc/42/32/89/1019423289.db2.gz JADHLEBTZIACDL-BEFAXECRSA-N 1 2 326.396 4.038 20 5 EIBDLO Cc1csc(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n1 ZINC000180050954 1021488270 /nfs/dbraw/zinc/48/82/70/1021488270.db2.gz MHSJSVHUSUEHQW-SFHVURJKSA-N 1 2 339.420 4.239 20 5 EIBDLO C[C@@H]([NH2+]Cc1csc(-c2ccco2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000128447152 1022473311 /nfs/dbraw/zinc/47/33/11/1022473311.db2.gz NCXQQJSMGRNTEX-LLVKDONJSA-N 1 2 329.381 4.162 20 5 EIBDLO Cc1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)on1 ZINC000105455373 1023458256 /nfs/dbraw/zinc/45/82/56/1023458256.db2.gz RNSXVHWNFXDFQE-UHFFFAOYSA-N 1 2 347.758 4.094 20 5 EIBDLO CC(C)(C)c1csc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000892929278 1023510439 /nfs/dbraw/zinc/51/04/39/1023510439.db2.gz OMUYHBCZHPMDHX-UHFFFAOYSA-N 1 2 339.848 4.292 20 5 EIBDLO Cc1nn(C(C)C)c(C)c1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000891622283 1023833559 /nfs/dbraw/zinc/83/35/59/1023833559.db2.gz FWMYKROMGQHOHZ-UHFFFAOYSA-N 1 2 342.443 4.154 20 5 EIBDLO Cc1nn(C(C)C)c(C)c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000891622283 1023833563 /nfs/dbraw/zinc/83/35/63/1023833563.db2.gz FWMYKROMGQHOHZ-UHFFFAOYSA-N 1 2 342.443 4.154 20 5 EIBDLO Cc1c([C@@H](C)[NH2+]Cc2c(F)cc(F)c(F)c2F)cccc1[N+](=O)[O-] ZINC000430749016 1024005526 /nfs/dbraw/zinc/00/55/26/1024005526.db2.gz HLHUAIMLUTZFHU-SECBINFHSA-N 1 2 342.292 4.310 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000432337724 1025660373 /nfs/dbraw/zinc/66/03/73/1025660373.db2.gz UPEMTBPJKYZAEM-UHFFFAOYSA-N 1 2 342.786 4.105 20 5 EIBDLO O=[N+]([O-])c1cccc(Cl)c1NCc1cccc(-n2cc[nH+]c2)c1 ZINC000432342307 1025689950 /nfs/dbraw/zinc/68/99/50/1025689950.db2.gz IMDLNUOLFNCRDM-UHFFFAOYSA-N 1 2 328.759 4.046 20 5 EIBDLO Cc1ccccc1[C@@H]1C[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000126215576 1033932377 /nfs/dbraw/zinc/93/23/77/1033932377.db2.gz JADHLEBTZIACDL-KXBFYZLASA-N 1 2 326.396 4.038 20 5 EIBDLO Cc1ccccc1[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000126215576 1033932385 /nfs/dbraw/zinc/93/23/85/1033932385.db2.gz JADHLEBTZIACDL-KXBFYZLASA-N 1 2 326.396 4.038 20 5 EIBDLO O=[N+]([O-])c1ccc(Oc2cccc(-n3cc[nH+]c3)c2)c2ccncc21 ZINC000077982003 1033935702 /nfs/dbraw/zinc/93/57/02/1033935702.db2.gz XNPMWVDRLJQDII-UHFFFAOYSA-N 1 2 332.319 4.121 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000576246888 1034328082 /nfs/dbraw/zinc/32/80/82/1034328082.db2.gz CGMJPDIVMOHUPL-UHFFFAOYSA-N 1 2 336.741 4.413 20 5 EIBDLO Cc1noc(C[N@@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595296478 1035626649 /nfs/dbraw/zinc/62/66/49/1035626649.db2.gz DSOVCRHVBCRXAU-JTQLQIEISA-N 1 2 343.305 4.103 20 5 EIBDLO Cc1noc(C[N@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000595296478 1035626670 /nfs/dbraw/zinc/62/66/70/1035626670.db2.gz DSOVCRHVBCRXAU-JTQLQIEISA-N 1 2 343.305 4.103 20 5 EIBDLO Cc1noc(C[NH2+][C@H](c2oc3ccccc3c2C)C(C)C)c1[N+](=O)[O-] ZINC000595413883 1035672238 /nfs/dbraw/zinc/67/22/38/1035672238.db2.gz AGJSCDFPPCJPOK-INIZCTEOSA-N 1 2 343.383 4.433 20 5 EIBDLO Cc1noc(C[N@@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595539563 1035700371 /nfs/dbraw/zinc/70/03/71/1035700371.db2.gz NDVVYKXQEOZAMX-GOSISDBHSA-N 1 2 341.411 4.399 20 5 EIBDLO Cc1noc(C[N@H+]2CC3(CCCCC3)[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595539563 1035700393 /nfs/dbraw/zinc/70/03/93/1035700393.db2.gz NDVVYKXQEOZAMX-GOSISDBHSA-N 1 2 341.411 4.399 20 5 EIBDLO CC(C)(C)Oc1cc(NCc2ccn3cc[nH+]c3c2)ccc1[N+](=O)[O-] ZINC000575112962 1035706513 /nfs/dbraw/zinc/70/65/13/1035706513.db2.gz LNCWSSPJJKDIKJ-UHFFFAOYSA-N 1 2 340.383 4.032 20 5 EIBDLO Cc1ncsc1C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602459987 1036457074 /nfs/dbraw/zinc/45/70/74/1036457074.db2.gz QDZIFGCHFVKNLR-UHFFFAOYSA-N 1 2 345.346 4.011 20 5 EIBDLO Cc1ncsc1C[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602459987 1036457088 /nfs/dbraw/zinc/45/70/88/1036457088.db2.gz QDZIFGCHFVKNLR-UHFFFAOYSA-N 1 2 345.346 4.011 20 5 EIBDLO O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3ccc(C4CC4)cc3F)nc2c1 ZINC000602671932 1036554407 /nfs/dbraw/zinc/55/44/07/1036554407.db2.gz NHPJREBJSBEJJS-UHFFFAOYSA-N 1 2 341.342 4.042 20 5 EIBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000486791988 1036855894 /nfs/dbraw/zinc/85/58/94/1036855894.db2.gz PSINLUJUJQTPIF-SECBINFHSA-N 1 2 345.346 4.229 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000490065000 1038327446 /nfs/dbraw/zinc/32/74/46/1038327446.db2.gz CJRCEMPUXUPIHW-CYBMUJFWSA-N 1 2 345.468 4.432 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000490065000 1038327462 /nfs/dbraw/zinc/32/74/62/1038327462.db2.gz CJRCEMPUXUPIHW-CYBMUJFWSA-N 1 2 345.468 4.432 20 5 EIBDLO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000490069610 1038331950 /nfs/dbraw/zinc/33/19/50/1038331950.db2.gz CNTCSEMDTXSIHL-CQSZACIVSA-N 1 2 340.832 4.129 20 5 EIBDLO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000490069610 1038331958 /nfs/dbraw/zinc/33/19/58/1038331958.db2.gz CNTCSEMDTXSIHL-CQSZACIVSA-N 1 2 340.832 4.129 20 5 EIBDLO Cn1c[nH+]cc1CNc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000434879060 1039896590 /nfs/dbraw/zinc/89/65/90/1039896590.db2.gz HKCCFUCNGDPXKM-UHFFFAOYSA-N 1 2 346.437 4.153 20 5 EIBDLO CCCC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000514617516 1040056099 /nfs/dbraw/zinc/05/60/99/1040056099.db2.gz LFBSORKXJJLKBF-GOSISDBHSA-N 1 2 344.411 4.330 20 5 EIBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000505800855 1041164998 /nfs/dbraw/zinc/16/49/98/1041164998.db2.gz FIBYQUULDZYIFQ-CYBMUJFWSA-N 1 2 332.375 4.326 20 5 EIBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)c1cccc(OC)c1 ZINC000505800855 1041165008 /nfs/dbraw/zinc/16/50/08/1041165008.db2.gz FIBYQUULDZYIFQ-CYBMUJFWSA-N 1 2 332.375 4.326 20 5 EIBDLO C[C@@H]1CCc2nc(C[NH2+]C(C)(C)c3ccccc3[N+](=O)[O-])sc2C1 ZINC000492003070 1042531309 /nfs/dbraw/zinc/53/13/09/1042531309.db2.gz UZRHXAHKRFGAHA-GFCCVEGCSA-N 1 2 345.468 4.201 20 5 EIBDLO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000506710905 1042798958 /nfs/dbraw/zinc/79/89/58/1042798958.db2.gz KXHAGUMPMFCTCG-GOSISDBHSA-N 1 2 342.395 4.036 20 5 EIBDLO CCOc1ccc([C@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000506710905 1042798964 /nfs/dbraw/zinc/79/89/64/1042798964.db2.gz KXHAGUMPMFCTCG-GOSISDBHSA-N 1 2 342.395 4.036 20 5 EIBDLO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccc(F)cn2)c2ccccc2)c1 ZINC000493131680 1042826318 /nfs/dbraw/zinc/82/63/18/1042826318.db2.gz QTPRNBMFZJCXKF-LJQANCHMSA-N 1 2 337.354 4.008 20 5 EIBDLO O=[N+]([O-])c1cccc(Br)c1C[NH2+]C1(c2ccccc2)CC1 ZINC000731678960 1043816187 /nfs/dbraw/zinc/81/61/87/1043816187.db2.gz TZUVDOYTJIWDCQ-UHFFFAOYSA-N 1 2 347.212 4.136 20 5 EIBDLO CC(C)([NH2+]Cc1cc(-c2ccccc2)on1)c1ccccc1[N+](=O)[O-] ZINC000429238117 1043839620 /nfs/dbraw/zinc/83/96/20/1043839620.db2.gz QQRDBCLYYFFNAV-UHFFFAOYSA-N 1 2 337.379 4.275 20 5 EIBDLO CC(C)([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nccs1 ZINC000116380390 1044190654 /nfs/dbraw/zinc/19/06/54/1044190654.db2.gz AWNHWLOAMABVAJ-UHFFFAOYSA-N 1 2 343.408 4.336 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1scnc1C1CC1)C1CC1 ZINC000495067363 1044632290 /nfs/dbraw/zinc/63/22/90/1044632290.db2.gz NZZKMMPVNAONTO-UHFFFAOYSA-N 1 2 329.425 4.093 20 5 EIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1scnc1C1CC1)C1CC1 ZINC000495067363 1044632300 /nfs/dbraw/zinc/63/23/00/1044632300.db2.gz NZZKMMPVNAONTO-UHFFFAOYSA-N 1 2 329.425 4.093 20 5 EIBDLO CC(C)(C)Oc1cccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000767417882 1045531430 /nfs/dbraw/zinc/53/14/30/1045531430.db2.gz QMYQADAZLBYTCF-UHFFFAOYSA-N 1 2 349.818 4.110 20 5 EIBDLO Cc1ccc(-c2nc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)co2)cc1 ZINC000791000034 1045652970 /nfs/dbraw/zinc/65/29/70/1045652970.db2.gz RTUJPRCPXUXAFH-UHFFFAOYSA-N 1 2 337.379 4.156 20 5 EIBDLO Cc1cc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cnc1Cl ZINC000768334146 1045788964 /nfs/dbraw/zinc/78/89/64/1045788964.db2.gz MIZCROFMZJSJOL-UHFFFAOYSA-N 1 2 331.803 4.116 20 5 EIBDLO Cc1cc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cnc1Cl ZINC000768334146 1045788975 /nfs/dbraw/zinc/78/89/75/1045788975.db2.gz MIZCROFMZJSJOL-UHFFFAOYSA-N 1 2 331.803 4.116 20 5 EIBDLO O=[N+]([O-])c1cnc2ccccc2c1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000488081093 1045917054 /nfs/dbraw/zinc/91/70/54/1045917054.db2.gz BRCWJCQEHHMXSG-UHFFFAOYSA-N 1 2 332.319 4.121 20 5 EIBDLO C[C@@]12CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]1C2(Cl)Cl ZINC000792909998 1046101946 /nfs/dbraw/zinc/10/19/46/1046101946.db2.gz VBLXEDYWKZISDA-QWHCGFSZSA-N 1 2 349.645 4.264 20 5 EIBDLO C[C@@]12CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]1C2(Cl)Cl ZINC000792909998 1046101950 /nfs/dbraw/zinc/10/19/50/1046101950.db2.gz VBLXEDYWKZISDA-QWHCGFSZSA-N 1 2 349.645 4.264 20 5 EIBDLO O=[N+]([O-])c1cc(F)ccc1NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000301188274 1046270272 /nfs/dbraw/zinc/27/02/72/1046270272.db2.gz LBXJHLJYEMGERX-UHFFFAOYSA-N 1 2 344.390 4.121 20 5 EIBDLO C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917064740 1046622307 /nfs/dbraw/zinc/62/23/07/1046622307.db2.gz CTWSEIHUHMHFIT-UHFFFAOYSA-N 1 2 342.292 4.385 20 5 EIBDLO C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917064740 1046622317 /nfs/dbraw/zinc/62/23/17/1046622317.db2.gz CTWSEIHUHMHFIT-UHFFFAOYSA-N 1 2 342.292 4.385 20 5 EIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000536870164 1046835524 /nfs/dbraw/zinc/83/55/24/1046835524.db2.gz OHMBFSBQKHGVJK-CQSZACIVSA-N 1 2 337.379 4.409 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000609704776 1049278528 /nfs/dbraw/zinc/27/85/28/1049278528.db2.gz JKNGZKZCLBQANQ-UHFFFAOYSA-N 1 2 344.798 4.243 20 5 EIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000609704776 1049278543 /nfs/dbraw/zinc/27/85/43/1049278543.db2.gz JKNGZKZCLBQANQ-UHFFFAOYSA-N 1 2 344.798 4.243 20 5 EIBDLO Cc1cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc(C)c1O ZINC000813202148 1049706220 /nfs/dbraw/zinc/70/62/20/1049706220.db2.gz QCGGVMLNZFNADT-UHFFFAOYSA-N 1 2 334.803 4.203 20 5 EIBDLO Cc1cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc(C)c1O ZINC000813202148 1049706230 /nfs/dbraw/zinc/70/62/30/1049706230.db2.gz QCGGVMLNZFNADT-UHFFFAOYSA-N 1 2 334.803 4.203 20 5 EIBDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775458066 1051467033 /nfs/dbraw/zinc/46/70/33/1051467033.db2.gz HWVDJJIYXRVAIJ-SNVBAGLBSA-N 1 2 338.766 4.247 20 5 EIBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001175490108 1051617736 /nfs/dbraw/zinc/61/77/36/1051617736.db2.gz CZNNQRHHNJKDSR-SFHVURJKSA-N 1 2 332.350 4.195 20 5 EIBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@](F)(c2ccccc2)C1 ZINC001175490108 1051617744 /nfs/dbraw/zinc/61/77/44/1051617744.db2.gz CZNNQRHHNJKDSR-SFHVURJKSA-N 1 2 332.350 4.195 20 5 EIBDLO Cc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cs2)o1 ZINC001176036800 1051881186 /nfs/dbraw/zinc/88/11/86/1051881186.db2.gz OFYRPNUIWYADGV-LBPRGKRZSA-N 1 2 343.408 4.471 20 5 EIBDLO CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774830953 1052179534 /nfs/dbraw/zinc/17/95/34/1052179534.db2.gz AWKKNDCJDKMBTM-UHFFFAOYSA-N 1 2 349.774 4.179 20 5 EIBDLO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774830953 1052179540 /nfs/dbraw/zinc/17/95/40/1052179540.db2.gz AWKKNDCJDKMBTM-UHFFFAOYSA-N 1 2 349.774 4.179 20 5 EIBDLO CN(Cc1c2ccccc2cc2ccccc21)C(=O)CCn1cc[nH+]c1 ZINC001176877997 1052199472 /nfs/dbraw/zinc/19/94/72/1052199472.db2.gz SNDKDPOBNDPMOS-UHFFFAOYSA-N 1 2 343.430 4.238 20 5 EIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(Br)o1 ZINC000072562107 1052434707 /nfs/dbraw/zinc/43/47/07/1052434707.db2.gz OCFYWGPREOLLGX-SNVBAGLBSA-N 1 2 339.189 4.143 20 5 EIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(Br)o1 ZINC000072562107 1052434712 /nfs/dbraw/zinc/43/47/12/1052434712.db2.gz OCFYWGPREOLLGX-SNVBAGLBSA-N 1 2 339.189 4.143 20 5 EIBDLO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000872017768 1054332745 /nfs/dbraw/zinc/33/27/45/1054332745.db2.gz DPJGPZRQTRDUDR-NWDGAFQWSA-N 1 2 348.374 4.163 20 5 EIBDLO C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872065089 1054374779 /nfs/dbraw/zinc/37/47/79/1054374779.db2.gz SPJVHIPFJUYECS-QMTHXVAHSA-N 1 2 334.322 4.047 20 5 EIBDLO COc1ccccc1C1([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872082375 1054383215 /nfs/dbraw/zinc/38/32/15/1054383215.db2.gz VWVXGCRZXDIQQO-LBPRGKRZSA-N 1 2 330.359 4.082 20 5 EIBDLO