smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C[NH2+][C@H](C)c2csc(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000460346055 333066015 /nfs/dbraw/zinc/06/60/15/333066015.db2.gz JDZSCTVQIXBHTK-GFCCVEGCSA-N 1 2 319.430 4.334 20 5 DIBDLO CCN(CC)c1ccc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000319704949 333398589 /nfs/dbraw/zinc/39/85/89/333398589.db2.gz NDGMLJDCFRWWJB-ZDUSSCGKSA-N 1 2 314.389 4.009 20 5 DIBDLO CCN(CC)c1ccc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000319704947 333398600 /nfs/dbraw/zinc/39/86/00/333398600.db2.gz NDGMLJDCFRWWJB-CYBMUJFWSA-N 1 2 314.389 4.009 20 5 DIBDLO Cc1c(C[N@@H+](C)[C@@H](C)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000518834807 335308170 /nfs/dbraw/zinc/30/81/70/335308170.db2.gz BYBBDWBCEGQSQB-LBPRGKRZSA-N 1 2 320.339 4.374 20 5 DIBDLO Cc1c(C[N@H+](C)[C@@H](C)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000518834807 335308172 /nfs/dbraw/zinc/30/81/72/335308172.db2.gz BYBBDWBCEGQSQB-LBPRGKRZSA-N 1 2 320.339 4.374 20 5 DIBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2c2ccsc2)c(F)c1 ZINC000351857213 336073892 /nfs/dbraw/zinc/07/38/92/336073892.db2.gz MAVORAFOEKHMDA-OAHLLOKOSA-N 1 2 324.352 4.272 20 5 DIBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]2c2ccsc2)c(F)c1 ZINC000351857213 336073895 /nfs/dbraw/zinc/07/38/95/336073895.db2.gz MAVORAFOEKHMDA-OAHLLOKOSA-N 1 2 324.352 4.272 20 5 DIBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000173945371 337137689 /nfs/dbraw/zinc/13/76/89/337137689.db2.gz VUDAULGUVBWVRV-ZDUSSCGKSA-N 1 2 323.352 4.101 20 5 DIBDLO C[C@H](c1ccco1)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000086234717 338013466 /nfs/dbraw/zinc/01/34/66/338013466.db2.gz LUOGZKHWEUBCRF-LLVKDONJSA-N 1 2 304.321 4.053 20 5 DIBDLO C[C@H](c1ccco1)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000086234717 338013467 /nfs/dbraw/zinc/01/34/67/338013467.db2.gz LUOGZKHWEUBCRF-LLVKDONJSA-N 1 2 304.321 4.053 20 5 DIBDLO CC1(CC(F)(F)F)C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459644212 339040026 /nfs/dbraw/zinc/04/00/26/339040026.db2.gz WLTSWNYXEZOVHP-UHFFFAOYSA-N 1 2 322.714 4.023 20 5 DIBDLO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000464852019 339157973 /nfs/dbraw/zinc/15/79/73/339157973.db2.gz HOLLNWWMEZLBGZ-LRDDRELGSA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000464852019 339157974 /nfs/dbraw/zinc/15/79/74/339157974.db2.gz HOLLNWWMEZLBGZ-LRDDRELGSA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000470942523 339331890 /nfs/dbraw/zinc/33/18/90/339331890.db2.gz CCWOLIVNPSKADU-WPRPVWTQSA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000470942523 339331891 /nfs/dbraw/zinc/33/18/91/339331891.db2.gz CCWOLIVNPSKADU-WPRPVWTQSA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505607739 340172840 /nfs/dbraw/zinc/17/28/40/340172840.db2.gz JZFJEOQELGRVDR-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505607739 340172841 /nfs/dbraw/zinc/17/28/41/340172841.db2.gz JZFJEOQELGRVDR-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO CC(C)[N@H+](Cc1cccc(F)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505913446 340181471 /nfs/dbraw/zinc/18/14/71/340181471.db2.gz UAZFLIWNTPPJNK-UHFFFAOYSA-N 1 2 320.339 4.284 20 5 DIBDLO CC(C)[N@@H+](Cc1cccc(F)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505913446 340181472 /nfs/dbraw/zinc/18/14/72/340181472.db2.gz UAZFLIWNTPPJNK-UHFFFAOYSA-N 1 2 320.339 4.284 20 5 DIBDLO Cc1ccccc1[C@H](C)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505913641 340181526 /nfs/dbraw/zinc/18/15/26/340181526.db2.gz VLBWOPOMGSOLOA-ZDUSSCGKSA-N 1 2 302.349 4.235 20 5 DIBDLO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505913641 340181527 /nfs/dbraw/zinc/18/15/27/340181527.db2.gz VLBWOPOMGSOLOA-ZDUSSCGKSA-N 1 2 302.349 4.235 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(Cl)o1)C1CC1 ZINC000507167050 340210551 /nfs/dbraw/zinc/21/05/51/340210551.db2.gz HSHDWYJENZTFPT-UHFFFAOYSA-N 1 2 306.749 4.006 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(Cl)o1)C1CC1 ZINC000507167050 340210552 /nfs/dbraw/zinc/21/05/52/340210552.db2.gz HSHDWYJENZTFPT-UHFFFAOYSA-N 1 2 306.749 4.006 20 5 DIBDLO C[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000507191280 340212173 /nfs/dbraw/zinc/21/21/73/340212173.db2.gz NUVVOCUWYHUJQZ-LLVKDONJSA-N 1 2 320.776 4.147 20 5 DIBDLO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000507191280 340212174 /nfs/dbraw/zinc/21/21/74/340212174.db2.gz NUVVOCUWYHUJQZ-LLVKDONJSA-N 1 2 320.776 4.147 20 5 DIBDLO O=[N+]([O-])c1cccc(SCc2cn3cc(Cl)ccc3[nH+]2)c1 ZINC000509089465 340260967 /nfs/dbraw/zinc/26/09/67/340260967.db2.gz JQKHYBSNVGUPIO-UHFFFAOYSA-N 1 2 319.773 4.188 20 5 DIBDLO O=[N+]([O-])c1cc(F)c(C[N@H+](Cc2ccccc2)C2CC2)c(F)c1 ZINC000509682822 340276711 /nfs/dbraw/zinc/27/67/11/340276711.db2.gz GNXNDOZJVDHVJG-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+](Cc2ccccc2)C2CC2)c(F)c1 ZINC000509682822 340276712 /nfs/dbraw/zinc/27/67/12/340276712.db2.gz GNXNDOZJVDHVJG-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(C(F)F)CCCCC1 ZINC000512891003 340382777 /nfs/dbraw/zinc/38/27/77/340382777.db2.gz NAVDJMIKIVLSQS-SOFGYWHQSA-N 1 2 310.344 4.166 20 5 DIBDLO COc1cc(C)[nH+]c(COc2ccc([N+](=O)[O-])c3ccccc23)c1 ZINC000538755245 340848172 /nfs/dbraw/zinc/84/81/72/340848172.db2.gz HNJAUPNMWXSWPN-UHFFFAOYSA-N 1 2 324.336 4.039 20 5 DIBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000080933412 341276775 /nfs/dbraw/zinc/27/67/75/341276775.db2.gz VDGKWBQCLWRMOE-GFCCVEGCSA-N 1 2 318.348 4.023 20 5 DIBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000080933412 341276776 /nfs/dbraw/zinc/27/67/76/341276776.db2.gz VDGKWBQCLWRMOE-GFCCVEGCSA-N 1 2 318.348 4.023 20 5 DIBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000266496507 341587785 /nfs/dbraw/zinc/58/77/85/341587785.db2.gz UIOZXHKLTGZUDJ-MNOVXSKESA-N 1 2 306.312 4.285 20 5 DIBDLO Cc1csc(C2([NH2+][C@H](C)c3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000266422443 526328372 /nfs/dbraw/zinc/32/83/72/526328372.db2.gz AUCOTKXILFFAHE-GFCCVEGCSA-N 1 2 317.414 4.090 20 5 DIBDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000189930087 527081960 /nfs/dbraw/zinc/08/19/60/527081960.db2.gz GXPRBDKHNWZWTJ-OAHLLOKOSA-N 1 2 317.414 4.005 20 5 DIBDLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000189930087 527081963 /nfs/dbraw/zinc/08/19/63/527081963.db2.gz GXPRBDKHNWZWTJ-OAHLLOKOSA-N 1 2 317.414 4.005 20 5 DIBDLO C[C@@H](c1ccco1)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000119208661 1037205958 /nfs/dbraw/zinc/20/59/58/1037205958.db2.gz QAAPQWWTVWPGMP-NSHDSACASA-N 1 2 304.321 4.053 20 5 DIBDLO C[C@@H](c1ccco1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000119208661 1037205976 /nfs/dbraw/zinc/20/59/76/1037205976.db2.gz QAAPQWWTVWPGMP-NSHDSACASA-N 1 2 304.321 4.053 20 5 DIBDLO O=[N+]([O-])c1cccc(C[NH2+]C2(c3c(F)cccc3F)CCC2)c1 ZINC000599020515 1038221151 /nfs/dbraw/zinc/22/11/51/1038221151.db2.gz SELRHOFWZJLHCO-UHFFFAOYSA-N 1 2 318.323 4.042 20 5 DIBDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172180071 1038561398 /nfs/dbraw/zinc/56/13/98/1038561398.db2.gz DSVUYAWCRUDGFX-LLVKDONJSA-N 1 2 320.776 4.147 20 5 DIBDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172180071 1038561409 /nfs/dbraw/zinc/56/14/09/1038561409.db2.gz DSVUYAWCRUDGFX-LLVKDONJSA-N 1 2 320.776 4.147 20 5 DIBDLO Cc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000541992245 1039775756 /nfs/dbraw/zinc/77/57/56/1039775756.db2.gz VPCNKBRKRSTVGS-UHFFFAOYSA-N 1 2 310.806 4.250 20 5 DIBDLO Cc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000541992245 1039775771 /nfs/dbraw/zinc/77/57/71/1039775771.db2.gz VPCNKBRKRSTVGS-UHFFFAOYSA-N 1 2 310.806 4.250 20 5 DIBDLO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccnc1Cl ZINC000271862168 1039851142 /nfs/dbraw/zinc/85/11/42/1039851142.db2.gz ZTGYRSAGXHFINN-GHMZBOCLSA-N 1 2 305.765 4.055 20 5 DIBDLO C[C@H]([NH2+][C@@H](CF)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000601319117 1039949007 /nfs/dbraw/zinc/94/90/07/1039949007.db2.gz XCBGACKKZKXZKY-ZBEGNZNMSA-N 1 2 306.312 4.095 20 5 DIBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)c1cccnc1 ZINC000809766264 1041249807 /nfs/dbraw/zinc/24/98/07/1041249807.db2.gz WLOKBLGAGXEMDG-LBPRGKRZSA-N 1 2 319.792 4.226 20 5 DIBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C)c1cccnc1 ZINC000809766264 1041249824 /nfs/dbraw/zinc/24/98/24/1041249824.db2.gz WLOKBLGAGXEMDG-LBPRGKRZSA-N 1 2 319.792 4.226 20 5 DIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCCC2(CC2)C1 ZINC000809979622 1041289655 /nfs/dbraw/zinc/28/96/55/1041289655.db2.gz ZWSHTXRAGSMEMM-UHFFFAOYSA-N 1 2 315.200 4.278 20 5 DIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCCC2(CC2)C1 ZINC000809979622 1041289674 /nfs/dbraw/zinc/28/96/74/1041289674.db2.gz ZWSHTXRAGSMEMM-UHFFFAOYSA-N 1 2 315.200 4.278 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000441436727 1043099124 /nfs/dbraw/zinc/09/91/24/1043099124.db2.gz GBEHUSHTOKDQLI-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(Cl)cccc2C1 ZINC000441436727 1043099139 /nfs/dbraw/zinc/09/91/39/1043099139.db2.gz GBEHUSHTOKDQLI-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)cc1F ZINC000451163952 1045637424 /nfs/dbraw/zinc/63/74/24/1045637424.db2.gz IQEXVCFGEZNOAX-SNVBAGLBSA-N 1 2 324.302 4.171 20 5 DIBDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783514646 1046603380 /nfs/dbraw/zinc/60/33/80/1046603380.db2.gz QZOFCINMPBJTNY-JTQLQIEISA-N 1 2 322.817 4.429 20 5 DIBDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783514646 1046603383 /nfs/dbraw/zinc/60/33/83/1046603383.db2.gz QZOFCINMPBJTNY-JTQLQIEISA-N 1 2 322.817 4.429 20 5 DIBDLO CCC(CC)n1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000537125174 1047139672 /nfs/dbraw/zinc/13/96/72/1047139672.db2.gz AUYYDEBSWHSFMT-ZDUSSCGKSA-N 1 2 316.405 4.003 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(CNc2ccc3c(c2)CCC[NH2+]3)c1 ZINC000841037131 1047373852 /nfs/dbraw/zinc/37/38/52/1047373852.db2.gz SOMZFFFTABSFAC-UHFFFAOYSA-N 1 2 317.776 4.218 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+](Cc1ccoc1)C1CC1 ZINC001176496755 1048700005 /nfs/dbraw/zinc/70/00/05/1048700005.db2.gz SEXMFDJKAQHDJN-UHFFFAOYSA-N 1 2 306.749 4.006 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+](Cc1ccoc1)C1CC1 ZINC001176496755 1048700018 /nfs/dbraw/zinc/70/00/18/1048700018.db2.gz SEXMFDJKAQHDJN-UHFFFAOYSA-N 1 2 306.749 4.006 20 5 DIBDLO COC(=O)C[N@H+](C)Cc1ccc2ccc3cccc4ccc1c2c34 ZINC001204003126 1049058395 /nfs/dbraw/zinc/05/83/95/1049058395.db2.gz AVZCHYFFZXDFDC-UHFFFAOYSA-N 1 2 317.388 4.189 20 5 DIBDLO COC(=O)C[N@@H+](C)Cc1ccc2ccc3cccc4ccc1c2c34 ZINC001204003126 1049058408 /nfs/dbraw/zinc/05/84/08/1049058408.db2.gz AVZCHYFFZXDFDC-UHFFFAOYSA-N 1 2 317.388 4.189 20 5 DIBDLO Cc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000037389159 1049142836 /nfs/dbraw/zinc/14/28/36/1049142836.db2.gz SFPMSGMDHMAVIS-UHFFFAOYSA-N 1 2 304.777 4.189 20 5 DIBDLO Cc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000037389159 1049142840 /nfs/dbraw/zinc/14/28/40/1049142840.db2.gz SFPMSGMDHMAVIS-UHFFFAOYSA-N 1 2 304.777 4.189 20 5 DIBDLO CCc1nc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000173408759 1049399640 /nfs/dbraw/zinc/39/96/40/1049399640.db2.gz NRGBVLIOIVMZLG-GHMZBOCLSA-N 1 2 305.403 4.026 20 5 DIBDLO COc1ccc(COc2cc(C)[nH+]c3ccccc32)cc1[N+](=O)[O-] ZINC000486210569 1049403985 /nfs/dbraw/zinc/40/39/85/1049403985.db2.gz BMNOIAFSQIYFDQ-UHFFFAOYSA-N 1 2 324.336 4.039 20 5 DIBDLO C[C@H](c1ccccc1)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000339028534 1049451661 /nfs/dbraw/zinc/45/16/61/1049451661.db2.gz LAXPWIBCZXIBGX-CYBMUJFWSA-N 1 2 312.369 4.026 20 5 DIBDLO C[C@H](c1ccccc1)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000339028534 1049451669 /nfs/dbraw/zinc/45/16/69/1049451669.db2.gz LAXPWIBCZXIBGX-CYBMUJFWSA-N 1 2 312.369 4.026 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000592137256 1050277415 /nfs/dbraw/zinc/27/74/15/1050277415.db2.gz IJIBVGJFWIMPNM-UHFFFAOYSA-N 1 2 302.761 4.027 20 5 DIBDLO Cc1ccc([N+](=O)[O-])cc1Nc1ccc[nH+]c1N1CCCCC1 ZINC001211285528 1050537969 /nfs/dbraw/zinc/53/79/69/1050537969.db2.gz GPBOFTZQYIWOAS-UHFFFAOYSA-N 1 2 312.373 4.032 20 5 DIBDLO c1ccc2[nH+]c3ccc(Nc4cnc5nccnc5c4)cc3cc2c1 ZINC001213225381 1050613799 /nfs/dbraw/zinc/61/37/99/1050613799.db2.gz OVYMWRWRRDSKEK-UHFFFAOYSA-N 1 2 323.359 4.470 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596590412 1050747331 /nfs/dbraw/zinc/74/73/31/1050747331.db2.gz DQYOTTSEAOOIJD-DYVFJYSZSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596590412 1050747345 /nfs/dbraw/zinc/74/73/45/1050747345.db2.gz DQYOTTSEAOOIJD-DYVFJYSZSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591184 1050749032 /nfs/dbraw/zinc/74/90/32/1050749032.db2.gz HPRFRXRBDDEMAX-SUMWQHHRSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596591184 1050749042 /nfs/dbraw/zinc/74/90/42/1050749042.db2.gz HPRFRXRBDDEMAX-SUMWQHHRSA-N 1 2 311.385 4.134 20 5 DIBDLO CC[C@H]([NH2+][C@@H](CF)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601318237 1050787344 /nfs/dbraw/zinc/78/73/44/1050787344.db2.gz KTLRREQEWNDAKI-IRXDYDNUSA-N 1 2 320.339 4.485 20 5 DIBDLO CC[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601318238 1050787986 /nfs/dbraw/zinc/78/79/86/1050787986.db2.gz KTLRREQEWNDAKI-SJORKVTESA-N 1 2 320.339 4.485 20 5 DIBDLO OCc1cc(Nc2ccc3[nH+]c4ccccc4cc3c2)ccc1O ZINC001216142236 1051598366 /nfs/dbraw/zinc/59/83/66/1051598366.db2.gz XABUQLPNLVQQMP-UHFFFAOYSA-N 1 2 316.360 4.330 20 5 DIBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1cccs1 ZINC000805840123 1051688938 /nfs/dbraw/zinc/68/89/38/1051688938.db2.gz LUDKNSCABQSDJC-HNNXBMFYSA-N 1 2 320.389 4.379 20 5 DIBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1c1cccs1 ZINC000805840123 1051688944 /nfs/dbraw/zinc/68/89/44/1051688944.db2.gz LUDKNSCABQSDJC-HNNXBMFYSA-N 1 2 320.389 4.379 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000494107255 1051691013 /nfs/dbraw/zinc/69/10/13/1051691013.db2.gz MAPOWGQZCZENCZ-VIFPVBQESA-N 1 2 322.714 4.023 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000494107255 1051691017 /nfs/dbraw/zinc/69/10/17/1051691017.db2.gz MAPOWGQZCZENCZ-VIFPVBQESA-N 1 2 322.714 4.023 20 5 DIBDLO CC[N@H+](Cc1cccs1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494177331 1051698116 /nfs/dbraw/zinc/69/81/16/1051698116.db2.gz WJWSLSACLSDRPD-UHFFFAOYSA-N 1 2 310.806 4.332 20 5 DIBDLO CC[N@@H+](Cc1cccs1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494177331 1051698121 /nfs/dbraw/zinc/69/81/21/1051698121.db2.gz WJWSLSACLSDRPD-UHFFFAOYSA-N 1 2 310.806 4.332 20 5 DIBDLO CCCC[C@@H](C)[N@@H+](CCCC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001170518266 1051877556 /nfs/dbraw/zinc/87/75/56/1051877556.db2.gz FPIJVHRLGYVMDG-CQSZACIVSA-N 1 2 308.422 4.481 20 5 DIBDLO CCCC[C@@H](C)[N@H+](CCCC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001170518266 1051877550 /nfs/dbraw/zinc/87/75/50/1051877550.db2.gz FPIJVHRLGYVMDG-CQSZACIVSA-N 1 2 308.422 4.481 20 5 DIBDLO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000179632104 1053018873 /nfs/dbraw/zinc/01/88/73/1053018873.db2.gz UIGLJDGGNKKXCU-HNNXBMFYSA-N 1 2 324.302 4.253 20 5 DIBDLO C[C@H](SCc1cc[nH+]c(N(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC001320567578 1053345324 /nfs/dbraw/zinc/34/53/24/1053345324.db2.gz UUQBFDATTNCWJY-LBPRGKRZSA-N 1 2 317.414 4.050 20 5 DIBDLO C[C@@H](SCc1cc[nH+]c(N(C)C)c1)c1ccccc1[N+](=O)[O-] ZINC001320567577 1053345507 /nfs/dbraw/zinc/34/55/07/1053345507.db2.gz UUQBFDATTNCWJY-GFCCVEGCSA-N 1 2 317.414 4.050 20 5 DIBDLO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000182432983 1053432515 /nfs/dbraw/zinc/43/25/15/1053432515.db2.gz OCSOAWXSKMEOKP-RYUDHWBXSA-N 1 2 311.341 4.148 20 5 DIBDLO Cc1cc([NH+](C)C)ccc1N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848537169 1054132623 /nfs/dbraw/zinc/13/26/23/1054132623.db2.gz BBUJJKFTULKUTF-QGZVFWFLSA-N 1 2 311.385 4.069 20 5 DIBDLO CC(C)c1nc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC001336757128 1054246333 /nfs/dbraw/zinc/24/63/33/1054246333.db2.gz BMKFRZPORSSSPH-NSHDSACASA-N 1 2 305.403 4.026 20 5 DIBDLO CC[C@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1cccc([N+](=O)[O-])c1 ZINC000921817632 1056513848 /nfs/dbraw/zinc/51/38/48/1056513848.db2.gz LRTAMFQZJFNBOU-AWEZNQCLSA-N 1 2 317.389 4.121 20 5 DIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001616972690 1056749314 /nfs/dbraw/zinc/74/93/14/1056749314.db2.gz DWJAYPFKXPXOTJ-QGZVFWFLSA-N 1 2 312.369 4.028 20 5 DIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001616972690 1056749317 /nfs/dbraw/zinc/74/93/17/1056749317.db2.gz DWJAYPFKXPXOTJ-QGZVFWFLSA-N 1 2 312.369 4.028 20 5 DIBDLO Cc1ccc([C@@H](C)[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c(C)c1 ZINC001559496736 1059279774 /nfs/dbraw/zinc/27/97/74/1059279774.db2.gz UXNFEZHGWHTGPC-CQSZACIVSA-N 1 2 314.385 4.110 20 5 DIBDLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c(C)c1 ZINC001559496736 1059279800 /nfs/dbraw/zinc/27/98/00/1059279800.db2.gz UXNFEZHGWHTGPC-CQSZACIVSA-N 1 2 314.385 4.110 20 5 DIBDLO c1nnc2ccc(Nc3ccc4[nH+]c5ccccc5cc4c3)cn12 ZINC001250009267 1060536840 /nfs/dbraw/zinc/53/68/40/1060536840.db2.gz GPHSFMHQAIILBC-UHFFFAOYSA-N 1 2 311.348 4.174 20 5 DIBDLO Cc1cccc2c1C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC001473379153 1061122816 /nfs/dbraw/zinc/12/28/16/1061122816.db2.gz BVIJASIIFATVRQ-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1cccc2c1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC001473379153 1061122820 /nfs/dbraw/zinc/12/28/20/1061122820.db2.gz BVIJASIIFATVRQ-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1cccc([C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C(C)C)c1 ZINC001473702964 1061358675 /nfs/dbraw/zinc/35/86/75/1061358675.db2.gz VBGDUGJYKSIBTK-GOSISDBHSA-N 1 2 314.385 4.096 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001459873441 1062462309 /nfs/dbraw/zinc/46/23/09/1062462309.db2.gz LUZYKQGLHCKSIO-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001459873441 1062462317 /nfs/dbraw/zinc/46/23/17/1062462317.db2.gz LUZYKQGLHCKSIO-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO CC1(C)C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1(C)C ZINC001307509863 1065450409 /nfs/dbraw/zinc/45/04/09/1065450409.db2.gz MCXIDZQGNYHHMH-UHFFFAOYSA-N 1 2 316.323 4.234 20 5 DIBDLO CC1(C)C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1(C)C ZINC001307509863 1065450415 /nfs/dbraw/zinc/45/04/15/1065450415.db2.gz MCXIDZQGNYHHMH-UHFFFAOYSA-N 1 2 316.323 4.234 20 5 DIBDLO Cc1ccc([C@H](C)[NH2+]Cc2csc(C3CC3)n2)cc1[N+](=O)[O-] ZINC001307616821 1065520521 /nfs/dbraw/zinc/52/05/21/1065520521.db2.gz OOIFWJNNHMDIFI-NSHDSACASA-N 1 2 317.414 4.088 20 5 DIBDLO CCCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001307804416 1065628991 /nfs/dbraw/zinc/62/89/91/1065628991.db2.gz OBARIKGDPOPJML-GDBMZVCRSA-N 1 2 320.433 4.481 20 5 DIBDLO CCCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC001307804416 1065628995 /nfs/dbraw/zinc/62/89/95/1065628995.db2.gz OBARIKGDPOPJML-GDBMZVCRSA-N 1 2 320.433 4.481 20 5 DIBDLO Cc1ccc(C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C(C)C)s1 ZINC000352722438 336232466 /nfs/dbraw/zinc/23/24/66/336232466.db2.gz CMKCOEYHRVFZBT-UHFFFAOYSA-N 1 2 320.414 4.081 20 5 DIBDLO Cc1ccc(C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C(C)C)s1 ZINC000352722438 336232467 /nfs/dbraw/zinc/23/24/67/336232467.db2.gz CMKCOEYHRVFZBT-UHFFFAOYSA-N 1 2 320.414 4.081 20 5 DIBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000103465132 336241095 /nfs/dbraw/zinc/24/10/95/336241095.db2.gz LOBLSCOLUPUOIM-JTQLQIEISA-N 1 2 308.740 4.238 20 5 DIBDLO C[C@@H]([NH2+]CC(F)(F)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000580381698 336262912 /nfs/dbraw/zinc/26/29/12/336262912.db2.gz RBHDJFQLEZEGFQ-GFCCVEGCSA-N 1 2 306.312 4.037 20 5 DIBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000173945387 337137766 /nfs/dbraw/zinc/13/77/66/337137766.db2.gz VUDAULGUVBWVRV-CYBMUJFWSA-N 1 2 323.352 4.101 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)[C@@H](Nc1ccc3c(c1)CC[NH2+]3)CCC2 ZINC000423213685 337702311 /nfs/dbraw/zinc/70/23/11/337702311.db2.gz KMBXTEYCMYSJMR-SFHVURJKSA-N 1 2 309.369 4.052 20 5 DIBDLO Cc1ccc([C@H](C)[NH2+]Cc2cc(C(C)(C)C)on2)cc1[N+](=O)[O-] ZINC000429683922 338087304 /nfs/dbraw/zinc/08/73/04/338087304.db2.gz JIGAWYVNUWPNFI-LBPRGKRZSA-N 1 2 317.389 4.040 20 5 DIBDLO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000430091517 338095877 /nfs/dbraw/zinc/09/58/77/338095877.db2.gz STULUFRQSQEPAC-AHKGRUIUSA-N 1 2 323.396 4.086 20 5 DIBDLO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000430091517 338095878 /nfs/dbraw/zinc/09/58/78/338095878.db2.gz STULUFRQSQEPAC-AHKGRUIUSA-N 1 2 323.396 4.086 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1csc(Cl)c1Cl ZINC000432236623 338149637 /nfs/dbraw/zinc/14/96/37/338149637.db2.gz VXSALWPPGRTGLI-UHFFFAOYSA-N 1 2 317.197 4.253 20 5 DIBDLO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000464852022 339157850 /nfs/dbraw/zinc/15/78/50/339157850.db2.gz HOLLNWWMEZLBGZ-MLGOLLRUSA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000464852022 339157851 /nfs/dbraw/zinc/15/78/51/339157851.db2.gz HOLLNWWMEZLBGZ-MLGOLLRUSA-N 1 2 318.348 4.300 20 5 DIBDLO O=[N+]([O-])c1ccc(CNc2[nH+]cccc2-c2ccccc2)cc1 ZINC000466637345 339211424 /nfs/dbraw/zinc/21/14/24/339211424.db2.gz YIFAQILIZYYPGU-UHFFFAOYSA-N 1 2 305.337 4.269 20 5 DIBDLO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(C(F)F)CC3)s2)cc1 ZINC000500529279 340061464 /nfs/dbraw/zinc/06/14/64/340061464.db2.gz NQPMJRPIIKKSBS-UHFFFAOYSA-N 1 2 324.352 4.211 20 5 DIBDLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000502917677 340116618 /nfs/dbraw/zinc/11/66/18/340116618.db2.gz CULVDBZHAXZCRJ-INIZCTEOSA-N 1 2 320.389 4.035 20 5 DIBDLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000502917677 340116619 /nfs/dbraw/zinc/11/66/19/340116619.db2.gz CULVDBZHAXZCRJ-INIZCTEOSA-N 1 2 320.389 4.035 20 5 DIBDLO CC(C)c1ccc(C[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000505608509 340172796 /nfs/dbraw/zinc/17/27/96/340172796.db2.gz LXECSZOAEDQUDW-UHFFFAOYSA-N 1 2 316.376 4.489 20 5 DIBDLO CC(C)c1ccc(C[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000505608509 340172797 /nfs/dbraw/zinc/17/27/97/340172797.db2.gz LXECSZOAEDQUDW-UHFFFAOYSA-N 1 2 316.376 4.489 20 5 DIBDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505615466 340173104 /nfs/dbraw/zinc/17/31/04/340173104.db2.gz ZSAUSBUGPKWQKQ-SNVBAGLBSA-N 1 2 324.302 4.205 20 5 DIBDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505615466 340173105 /nfs/dbraw/zinc/17/31/05/340173105.db2.gz ZSAUSBUGPKWQKQ-SNVBAGLBSA-N 1 2 324.302 4.205 20 5 DIBDLO C[C@@H](c1c(F)cccc1F)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000507204731 340213101 /nfs/dbraw/zinc/21/31/01/340213101.db2.gz SSQJJCOHPNYABC-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@@H](c1c(F)cccc1F)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000507204731 340213102 /nfs/dbraw/zinc/21/31/02/340213102.db2.gz SSQJJCOHPNYABC-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000509657005 340275994 /nfs/dbraw/zinc/27/59/94/340275994.db2.gz ZJXTWLITWCSJCE-APPDUMDISA-N 1 2 318.323 4.066 20 5 DIBDLO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000509657005 340275995 /nfs/dbraw/zinc/27/59/95/340275995.db2.gz ZJXTWLITWCSJCE-APPDUMDISA-N 1 2 318.323 4.066 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000511586510 340331511 /nfs/dbraw/zinc/33/15/11/340331511.db2.gz RJBLJTYWSNNWSG-INIZCTEOSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)c1 ZINC000511586510 340331512 /nfs/dbraw/zinc/33/15/12/340331512.db2.gz RJBLJTYWSNNWSG-INIZCTEOSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cccc(C(F)F)c1)C2 ZINC000548095415 341246884 /nfs/dbraw/zinc/24/68/84/341246884.db2.gz AMWYWPOHQVJGHS-UHFFFAOYSA-N 1 2 318.323 4.091 20 5 DIBDLO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cccc(C(F)F)c1)C2 ZINC000548095415 341246885 /nfs/dbraw/zinc/24/68/85/341246885.db2.gz AMWYWPOHQVJGHS-UHFFFAOYSA-N 1 2 318.323 4.091 20 5 DIBDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC000267029411 526749856 /nfs/dbraw/zinc/74/98/56/526749856.db2.gz MCNUDSSMLDIUED-JTQLQIEISA-N 1 2 323.393 4.000 20 5 DIBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC000267029411 526749863 /nfs/dbraw/zinc/74/98/63/526749863.db2.gz MCNUDSSMLDIUED-JTQLQIEISA-N 1 2 323.393 4.000 20 5 DIBDLO CCN(CC)c1ccc(N[C@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000319788698 1037204746 /nfs/dbraw/zinc/20/47/46/1037204746.db2.gz ZKHHHGQNDZZZGF-CYBMUJFWSA-N 1 2 314.389 4.009 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000603855100 1038302059 /nfs/dbraw/zinc/30/20/59/1038302059.db2.gz CUXUHQNTEPTDLR-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000603855100 1038302068 /nfs/dbraw/zinc/30/20/68/1038302068.db2.gz CUXUHQNTEPTDLR-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000599692256 1038335451 /nfs/dbraw/zinc/33/54/51/1038335451.db2.gz DECTVDOSICYILN-UHFFFAOYSA-N 1 2 318.323 4.042 20 5 DIBDLO O=[N+]([O-])c1ncccc1Nc1ccc([NH2+]CC2CCCC2)cc1 ZINC000609039155 1038957777 /nfs/dbraw/zinc/95/77/77/1038957777.db2.gz PQICBERIPFHVDU-UHFFFAOYSA-N 1 2 312.373 4.336 20 5 DIBDLO O=[N+]([O-])c1ncccc1Nc1ccc([NH2+]C2CCCCC2)cc1 ZINC000609075307 1039212599 /nfs/dbraw/zinc/21/25/99/1039212599.db2.gz KMSJIJRMRVDVGB-UHFFFAOYSA-N 1 2 312.373 4.478 20 5 DIBDLO CCCCc1nc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000271723889 1039789597 /nfs/dbraw/zinc/78/95/97/1039789597.db2.gz LOMPTUVSOBLJHN-GFCCVEGCSA-N 1 2 319.430 4.245 20 5 DIBDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccnc1Cl ZINC000271862174 1039850979 /nfs/dbraw/zinc/85/09/79/1039850979.db2.gz ZTGYRSAGXHFINN-WDEREUQCSA-N 1 2 305.765 4.055 20 5 DIBDLO Cc1c([C@@H](C)[NH2+][C@H](CF)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000601317871 1039947563 /nfs/dbraw/zinc/94/75/63/1039947563.db2.gz CVWSUGSQMIBJQR-MLGOLLRUSA-N 1 2 320.339 4.404 20 5 DIBDLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000492978302 1040048917 /nfs/dbraw/zinc/04/89/17/1040048917.db2.gz XFNYDZKCXXQVBY-HNNXBMFYSA-N 1 2 320.776 4.487 20 5 DIBDLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000492978302 1040048929 /nfs/dbraw/zinc/04/89/29/1040048929.db2.gz XFNYDZKCXXQVBY-HNNXBMFYSA-N 1 2 320.776 4.487 20 5 DIBDLO CC(C)[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811472031 1041525962 /nfs/dbraw/zinc/52/59/62/1041525962.db2.gz SHIVNMYTPFEKPT-GFCCVEGCSA-N 1 2 303.189 4.132 20 5 DIBDLO CC(C)[C@H]1CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811472031 1041525968 /nfs/dbraw/zinc/52/59/68/1041525968.db2.gz SHIVNMYTPFEKPT-GFCCVEGCSA-N 1 2 303.189 4.132 20 5 DIBDLO CC[N@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000048970437 1043008711 /nfs/dbraw/zinc/00/87/11/1043008711.db2.gz IEUZXAZJTPFEPG-UHFFFAOYSA-N 1 2 310.806 4.332 20 5 DIBDLO CC[N@@H+](Cc1cccs1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000048970437 1043008718 /nfs/dbraw/zinc/00/87/18/1043008718.db2.gz IEUZXAZJTPFEPG-UHFFFAOYSA-N 1 2 310.806 4.332 20 5 DIBDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000178655369 1043134976 /nfs/dbraw/zinc/13/49/76/1043134976.db2.gz KTKGXFWKGGOPKZ-WDEREUQCSA-N 1 2 305.403 4.026 20 5 DIBDLO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000266516135 1043302404 /nfs/dbraw/zinc/30/24/04/1043302404.db2.gz YVEWKEBOPLFNMU-DGCLKSJQSA-N 1 2 305.403 4.162 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@H]2c2ccco2)cs1 ZINC000609916301 1044478875 /nfs/dbraw/zinc/47/88/75/1044478875.db2.gz UICFMKDFSUSVAO-ZDUSSCGKSA-N 1 2 306.387 4.367 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCCC[C@H]2c2ccco2)cs1 ZINC000609916301 1044478883 /nfs/dbraw/zinc/47/88/83/1044478883.db2.gz UICFMKDFSUSVAO-ZDUSSCGKSA-N 1 2 306.387 4.367 20 5 DIBDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000048609619 1045248911 /nfs/dbraw/zinc/24/89/11/1045248911.db2.gz RMPIQICVHZHWAR-GFCCVEGCSA-N 1 2 308.428 4.227 20 5 DIBDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000048609619 1045248920 /nfs/dbraw/zinc/24/89/20/1045248920.db2.gz RMPIQICVHZHWAR-GFCCVEGCSA-N 1 2 308.428 4.227 20 5 DIBDLO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cn1 ZINC000779127039 1045300468 /nfs/dbraw/zinc/30/04/68/1045300468.db2.gz FGBHZDOKHGEVMC-AWEZNQCLSA-N 1 2 323.755 4.023 20 5 DIBDLO Cc1[nH]ncc1C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000075783061 1045340877 /nfs/dbraw/zinc/34/08/77/1045340877.db2.gz FOBYRKRDGSKKJC-UHFFFAOYSA-N 1 2 301.393 4.314 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451833136 1045732263 /nfs/dbraw/zinc/73/22/63/1045732263.db2.gz HPDDMZYQCRHQEV-DYVFJYSZSA-N 1 2 312.369 4.476 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451833136 1045732277 /nfs/dbraw/zinc/73/22/77/1045732277.db2.gz HPDDMZYQCRHQEV-DYVFJYSZSA-N 1 2 312.369 4.476 20 5 DIBDLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000748819932 1046406854 /nfs/dbraw/zinc/40/68/54/1046406854.db2.gz RDZWQHGGGMKHAL-HZMBPMFUSA-N 1 2 320.776 4.254 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1Cl ZINC000783498613 1046600142 /nfs/dbraw/zinc/60/01/42/1046600142.db2.gz OFOHJXMRDFVNQZ-OAHLLOKOSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)cc1Cl ZINC000783498613 1046600151 /nfs/dbraw/zinc/60/01/51/1046600151.db2.gz OFOHJXMRDFVNQZ-OAHLLOKOSA-N 1 2 302.761 4.195 20 5 DIBDLO Cn1ncc2c1C[N@H+](Cc1c3ccccc3cc3ccccc31)C2 ZINC001141728122 1047281717 /nfs/dbraw/zinc/28/17/17/1047281717.db2.gz MSQCVVPAFYEGJG-UHFFFAOYSA-N 1 2 313.404 4.242 20 5 DIBDLO Cn1ncc2c1C[N@@H+](Cc1c3ccccc3cc3ccccc31)C2 ZINC001141728122 1047281722 /nfs/dbraw/zinc/28/17/22/1047281722.db2.gz MSQCVVPAFYEGJG-UHFFFAOYSA-N 1 2 313.404 4.242 20 5 DIBDLO CC[C@H](c1ccccc1OC)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000553992636 1047978952 /nfs/dbraw/zinc/97/89/52/1047978952.db2.gz SYOBGVPSVXQWNC-CQSZACIVSA-N 1 2 320.414 4.248 20 5 DIBDLO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000553992636 1047978960 /nfs/dbraw/zinc/97/89/60/1047978960.db2.gz SYOBGVPSVXQWNC-CQSZACIVSA-N 1 2 320.414 4.248 20 5 DIBDLO O=[N+]([O-])c1cc(O)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC001199818964 1048098903 /nfs/dbraw/zinc/09/89/03/1048098903.db2.gz ITOCITOFGZPBSI-UHFFFAOYSA-N 1 2 315.716 4.246 20 5 DIBDLO O=[N+]([O-])c1cc(F)ccc1Nc1ccc(NC2CCCC2)[nH+]c1 ZINC001185171620 1048141052 /nfs/dbraw/zinc/14/10/52/1048141052.db2.gz ZFBTVDONXOOHDI-UHFFFAOYSA-N 1 2 316.336 4.227 20 5 DIBDLO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC001191214891 1048887717 /nfs/dbraw/zinc/88/77/17/1048887717.db2.gz RGPMXJFIYRXBHG-LRDDRELGSA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC001191214891 1048887738 /nfs/dbraw/zinc/88/77/38/1048887738.db2.gz RGPMXJFIYRXBHG-LRDDRELGSA-N 1 2 318.348 4.300 20 5 DIBDLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000776766950 1049004022 /nfs/dbraw/zinc/00/40/22/1049004022.db2.gz ODHZVODTHYYMTR-AWEZNQCLSA-N 1 2 313.401 4.451 20 5 DIBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC001192627328 1049124515 /nfs/dbraw/zinc/12/45/15/1049124515.db2.gz VFTSOJIQDSMNOU-MRVPVSSYSA-N 1 2 314.769 4.300 20 5 DIBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC001192627330 1049124614 /nfs/dbraw/zinc/12/46/14/1049124614.db2.gz VFTSOJIQDSMNOU-QMMMGPOBSA-N 1 2 314.769 4.300 20 5 DIBDLO Cc1cc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c[nH+]c1C ZINC001179447381 1049165738 /nfs/dbraw/zinc/16/57/38/1049165738.db2.gz DYINLUTYAZAZEQ-UHFFFAOYSA-N 1 2 323.352 4.479 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000488118332 1049603735 /nfs/dbraw/zinc/60/37/35/1049603735.db2.gz ZLYXAFJKUZIPDM-ZDUSSCGKSA-N 1 2 321.380 4.195 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000488118332 1049603739 /nfs/dbraw/zinc/60/37/39/1049603739.db2.gz ZLYXAFJKUZIPDM-ZDUSSCGKSA-N 1 2 321.380 4.195 20 5 DIBDLO CC1(c2ccccc2)C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001206740856 1049787458 /nfs/dbraw/zinc/78/74/58/1049787458.db2.gz DSWHDEHMUKDMDD-UHFFFAOYSA-N 1 2 316.788 4.022 20 5 DIBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)c1ccccc1 ZINC000586771878 1049897122 /nfs/dbraw/zinc/89/71/22/1049897122.db2.gz SQPYVLNEUTXUDQ-UHFFFAOYSA-N 1 2 320.339 4.240 20 5 DIBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)c1ccccc1 ZINC000586771878 1049897129 /nfs/dbraw/zinc/89/71/29/1049897129.db2.gz SQPYVLNEUTXUDQ-UHFFFAOYSA-N 1 2 320.339 4.240 20 5 DIBDLO CC1(C)C[C@@H]([NH2+][C@H]2CCCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000588232468 1049976551 /nfs/dbraw/zinc/97/65/51/1049976551.db2.gz IJMKUUKZMLMLMX-KGLIPLIRSA-N 1 2 310.344 4.095 20 5 DIBDLO COc1ccc([N+](=O)[O-])cc1Nc1c(C)cc[nH+]c1C(C)C ZINC001210445254 1050248710 /nfs/dbraw/zinc/24/87/10/1050248710.db2.gz VRTPHFOIUYBVMV-UHFFFAOYSA-N 1 2 301.346 4.174 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591182 1050747720 /nfs/dbraw/zinc/74/77/20/1050747720.db2.gz HPRFRXRBDDEMAX-DYVFJYSZSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591182 1050747738 /nfs/dbraw/zinc/74/77/38/1050747738.db2.gz HPRFRXRBDDEMAX-DYVFJYSZSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596590409 1050748396 /nfs/dbraw/zinc/74/83/96/1050748396.db2.gz DQYOTTSEAOOIJD-CXAGYDPISA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596590409 1050748406 /nfs/dbraw/zinc/74/84/06/1050748406.db2.gz DQYOTTSEAOOIJD-CXAGYDPISA-N 1 2 311.385 4.134 20 5 DIBDLO CC[C@@H]([NH2+][C@H](CF)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601318236 1050786455 /nfs/dbraw/zinc/78/64/55/1050786455.db2.gz KTLRREQEWNDAKI-IAGOWNOFSA-N 1 2 320.339 4.485 20 5 DIBDLO Cc1ccc([C@H](C)[NH2+][C@H](CF)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000601317942 1050787433 /nfs/dbraw/zinc/78/74/33/1050787433.db2.gz FGDOEWURFQFOOH-BLLLJJGKSA-N 1 2 320.339 4.404 20 5 DIBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000791586239 1051064575 /nfs/dbraw/zinc/06/45/75/1051064575.db2.gz XMZIIGNDFAGHFQ-LDYMZIIASA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000791586239 1051064587 /nfs/dbraw/zinc/06/45/87/1051064587.db2.gz XMZIIGNDFAGHFQ-LDYMZIIASA-N 1 2 322.714 4.021 20 5 DIBDLO O=[N+]([O-])c1ccc(F)c(Nc2cccc3cc[nH+]cc32)c1F ZINC001215295395 1051156373 /nfs/dbraw/zinc/15/63/73/1051156373.db2.gz ZENLPTRKOZANRF-UHFFFAOYSA-N 1 2 301.252 4.165 20 5 DIBDLO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917016221 1052680643 /nfs/dbraw/zinc/68/06/43/1052680643.db2.gz KWFZADWLWCFVLW-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917016221 1052680644 /nfs/dbraw/zinc/68/06/44/1052680644.db2.gz KWFZADWLWCFVLW-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO O=[N+]([O-])c1ccc(Nc2ccc([NH2+]CC3CCCC3)cc2)cn1 ZINC000609796960 1052992307 /nfs/dbraw/zinc/99/23/07/1052992307.db2.gz ANEXONLHUZQRRI-UHFFFAOYSA-N 1 2 312.373 4.336 20 5 DIBDLO COc1cc(C)[nH+]c(CS[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001319857192 1053281892 /nfs/dbraw/zinc/28/18/92/1053281892.db2.gz KTNNUVOPMQGSQI-GFCCVEGCSA-N 1 2 318.398 4.301 20 5 DIBDLO C[C@H](Oc1ccc(-c2c[nH+]cn2C)cc1)c1cccc([N+](=O)[O-])c1 ZINC001231083132 1053672293 /nfs/dbraw/zinc/67/22/93/1053672293.db2.gz CPYNGEXVMCIVOV-ZDUSSCGKSA-N 1 2 323.352 4.135 20 5 DIBDLO CCOC(=[NH2+])c1ccc(O[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC001234588701 1054550558 /nfs/dbraw/zinc/55/05/58/1054550558.db2.gz QFZQEWOXTHIYAE-GFCCVEGCSA-N 1 2 314.341 4.097 20 5 DIBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000734835106 1055244556 /nfs/dbraw/zinc/24/45/56/1055244556.db2.gz LSSFCQJJWNTUHZ-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000734835106 1055244579 /nfs/dbraw/zinc/24/45/79/1055244579.db2.gz LSSFCQJJWNTUHZ-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO Cc1c(CNc2[nH]c3ccc(Cl)cc3[nH+]2)cccc1[N+](=O)[O-] ZINC001621056934 1056014024 /nfs/dbraw/zinc/01/40/24/1056014024.db2.gz KSMXWLKJJVUKMT-UHFFFAOYSA-N 1 2 316.748 4.045 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCCc3sccc3C2)c(Cl)c1 ZINC001615462241 1056513612 /nfs/dbraw/zinc/51/36/12/1056513612.db2.gz DFNMNLHOQWYFRB-UHFFFAOYSA-N 1 2 322.817 4.258 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCCc3sccc3C2)c(Cl)c1 ZINC001615462241 1056513626 /nfs/dbraw/zinc/51/36/26/1056513626.db2.gz DFNMNLHOQWYFRB-UHFFFAOYSA-N 1 2 322.817 4.258 20 5 DIBDLO CC[C@@H]([NH2+]Cc1nc(C(C)(C)C)co1)c1cccc([N+](=O)[O-])c1 ZINC000921817634 1056514022 /nfs/dbraw/zinc/51/40/22/1056514022.db2.gz LRTAMFQZJFNBOU-CQSZACIVSA-N 1 2 317.389 4.121 20 5 DIBDLO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000611395326 1057596021 /nfs/dbraw/zinc/59/60/21/1057596021.db2.gz SMDFXUPWWVPMCZ-ZJUUUORDSA-N 1 2 305.403 4.080 20 5 DIBDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001559589449 1059422712 /nfs/dbraw/zinc/42/27/12/1059422712.db2.gz BJXQWPYZQMWKSE-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001559589449 1059422719 /nfs/dbraw/zinc/42/27/19/1059422719.db2.gz BJXQWPYZQMWKSE-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO CC(C)c1cccc2c1CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001559807242 1059643543 /nfs/dbraw/zinc/64/35/43/1059643543.db2.gz WLBIPQUZICHQBV-UHFFFAOYSA-N 1 2 316.426 4.338 20 5 DIBDLO CC(C)c1cccc2c1CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC001559807242 1059643548 /nfs/dbraw/zinc/64/35/48/1059643548.db2.gz WLBIPQUZICHQBV-UHFFFAOYSA-N 1 2 316.426 4.338 20 5 DIBDLO CC[N@H+](Cc1occc1C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001559917179 1059734004 /nfs/dbraw/zinc/73/40/04/1059734004.db2.gz UXVLEIMJGPPLQV-UHFFFAOYSA-N 1 2 308.765 4.172 20 5 DIBDLO CC[N@@H+](Cc1occc1C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001559917179 1059734025 /nfs/dbraw/zinc/73/40/25/1059734025.db2.gz UXVLEIMJGPPLQV-UHFFFAOYSA-N 1 2 308.765 4.172 20 5 DIBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cc(C)ccc1C ZINC001560070220 1059883435 /nfs/dbraw/zinc/88/34/35/1059883435.db2.gz RGQDVWAIRGFHCT-QGZVFWFLSA-N 1 2 314.385 4.158 20 5 DIBDLO Cc1cccc([C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C(C)C)c1 ZINC001473702965 1061358834 /nfs/dbraw/zinc/35/88/34/1061358834.db2.gz VBGDUGJYKSIBTK-SFHVURJKSA-N 1 2 314.385 4.096 20 5 DIBDLO Cc1c(CNc2c[nH+]ccc2OC(C)(C)C)cccc1[N+](=O)[O-] ZINC001474097627 1061642116 /nfs/dbraw/zinc/64/21/16/1061642116.db2.gz GXWVLSWZXNBXNI-UHFFFAOYSA-N 1 2 315.373 4.088 20 5 DIBDLO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccco2)C1 ZINC001459567388 1062215981 /nfs/dbraw/zinc/21/59/81/1062215981.db2.gz VEXOAMPDGCCOHY-BLLLJJGKSA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccco2)C1 ZINC001459567388 1062215965 /nfs/dbraw/zinc/21/59/65/1062215965.db2.gz VEXOAMPDGCCOHY-BLLLJJGKSA-N 1 2 318.348 4.300 20 5 DIBDLO CC(C)(C)[N@H+](Cc1ccsc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001460402155 1062838097 /nfs/dbraw/zinc/83/80/97/1062838097.db2.gz IOPNQRPUVGYJEG-UHFFFAOYSA-N 1 2 320.414 4.163 20 5 DIBDLO CC(C)(C)[N@@H+](Cc1ccsc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001460402155 1062838116 /nfs/dbraw/zinc/83/81/16/1062838116.db2.gz IOPNQRPUVGYJEG-UHFFFAOYSA-N 1 2 320.414 4.163 20 5 DIBDLO C[C@@H]([NH2+]Cc1nsc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001460719930 1063012004 /nfs/dbraw/zinc/01/20/04/1063012004.db2.gz FXMBGPGZZRDROA-LLVKDONJSA-N 1 2 313.382 4.055 20 5 DIBDLO Cc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC001461891922 1063780035 /nfs/dbraw/zinc/78/00/35/1063780035.db2.gz IVYPJLAOUZKBTM-UHFFFAOYSA-N 1 2 304.777 4.189 20 5 DIBDLO Cc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC001461891922 1063780044 /nfs/dbraw/zinc/78/00/44/1063780044.db2.gz IVYPJLAOUZKBTM-UHFFFAOYSA-N 1 2 304.777 4.189 20 5 DIBDLO C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001462009289 1063874994 /nfs/dbraw/zinc/87/49/94/1063874994.db2.gz UYYSCXJRVDOSDW-VIFPVBQESA-N 1 2 303.189 4.134 20 5 DIBDLO C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001462009289 1063875004 /nfs/dbraw/zinc/87/50/04/1063875004.db2.gz UYYSCXJRVDOSDW-VIFPVBQESA-N 1 2 303.189 4.134 20 5 DIBDLO CCCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC001307804417 1065628962 /nfs/dbraw/zinc/62/89/62/1065628962.db2.gz OBARIKGDPOPJML-GOEBONIOSA-N 1 2 320.433 4.481 20 5 DIBDLO CCCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC001307804417 1065628965 /nfs/dbraw/zinc/62/89/65/1065628965.db2.gz OBARIKGDPOPJML-GOEBONIOSA-N 1 2 320.433 4.481 20 5 DIBDLO Cc1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001307857156 1065655426 /nfs/dbraw/zinc/65/54/26/1065655426.db2.gz SOZXINBCAFHLJD-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1ccc2c(c1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC001307857156 1065655431 /nfs/dbraw/zinc/65/54/31/1065655431.db2.gz SOZXINBCAFHLJD-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1Cl ZINC001308629928 1066126114 /nfs/dbraw/zinc/12/61/14/1066126114.db2.gz OCJZUGCTXPSZNF-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1Cl ZINC001308629928 1066126117 /nfs/dbraw/zinc/12/61/17/1066126117.db2.gz OCJZUGCTXPSZNF-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO CC[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)c1cccc([N+](=O)[O-])c1 ZINC000285722580 131196435 /nfs/dbraw/zinc/19/64/35/131196435.db2.gz QHOYHJCIHMSCAM-MEBBXXQBSA-N 1 2 321.327 4.070 20 5 DIBDLO Cc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC000066236415 333447163 /nfs/dbraw/zinc/44/71/63/333447163.db2.gz OMXHPUMMZKBPKC-LJQANCHMSA-N 1 2 322.364 4.375 20 5 DIBDLO Cc1csc([C@@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000331903352 336152298 /nfs/dbraw/zinc/15/22/98/336152298.db2.gz HYOPKABVWXSIRN-HNNXBMFYSA-N 1 2 317.414 4.087 20 5 DIBDLO Cc1csc([C@@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000331903352 336152300 /nfs/dbraw/zinc/15/23/00/336152300.db2.gz HYOPKABVWXSIRN-HNNXBMFYSA-N 1 2 317.414 4.087 20 5 DIBDLO Cc1ccnc(Nc2cccc(Oc3cc[nH+]cc3)c2)c1[N+](=O)[O-] ZINC000301273896 336298094 /nfs/dbraw/zinc/29/80/94/336298094.db2.gz IDZSWZCAEMADKY-UHFFFAOYSA-N 1 2 322.324 4.229 20 5 DIBDLO Cc1cnc(Nc2cccc(Oc3cc[nH+]cc3)c2)c([N+](=O)[O-])c1 ZINC000301464670 336308488 /nfs/dbraw/zinc/30/84/88/336308488.db2.gz WLJMXKDXZUZLPD-UHFFFAOYSA-N 1 2 322.324 4.229 20 5 DIBDLO Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1[nH+]ccn1CC(C)C ZINC000302698055 336365405 /nfs/dbraw/zinc/36/54/05/336365405.db2.gz UBNIASXCUGOCPX-UHFFFAOYSA-N 1 2 322.796 4.021 20 5 DIBDLO CCc1cnc(C[N@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000182822238 337188542 /nfs/dbraw/zinc/18/85/42/337188542.db2.gz LLENMECRQWPDSQ-LBPRGKRZSA-N 1 2 319.430 4.115 20 5 DIBDLO CCc1cnc(C[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000182822238 337188543 /nfs/dbraw/zinc/18/85/43/337188543.db2.gz LLENMECRQWPDSQ-LBPRGKRZSA-N 1 2 319.430 4.115 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000119745952 337865080 /nfs/dbraw/zinc/86/50/80/337865080.db2.gz FEDLAVSVEHVMML-UHFFFAOYSA-N 1 2 320.751 4.166 20 5 DIBDLO CC(C)([NH2+]Cc1c(F)cccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000429247954 338074671 /nfs/dbraw/zinc/07/46/71/338074671.db2.gz XXXFNRAYFKJBLM-UHFFFAOYSA-N 1 2 322.767 4.412 20 5 DIBDLO Cc1nc(C(C)C)oc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429261083 338075229 /nfs/dbraw/zinc/07/52/29/338075229.db2.gz PBCLCYMIBYNSOQ-UHFFFAOYSA-N 1 2 317.389 4.040 20 5 DIBDLO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000430091519 338095807 /nfs/dbraw/zinc/09/58/07/338095807.db2.gz STULUFRQSQEPAC-OTIVFRFGSA-N 1 2 323.396 4.086 20 5 DIBDLO CC1(C)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000430091519 338095808 /nfs/dbraw/zinc/09/58/08/338095808.db2.gz STULUFRQSQEPAC-OTIVFRFGSA-N 1 2 323.396 4.086 20 5 DIBDLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000501773903 340088302 /nfs/dbraw/zinc/08/83/02/340088302.db2.gz GCRAPUZUFTZWMU-LBPRGKRZSA-N 1 2 304.777 4.441 20 5 DIBDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000501773903 340088303 /nfs/dbraw/zinc/08/83/03/340088303.db2.gz GCRAPUZUFTZWMU-LBPRGKRZSA-N 1 2 304.777 4.441 20 5 DIBDLO C[C@H](c1ccccc1)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000505777563 340177590 /nfs/dbraw/zinc/17/75/90/340177590.db2.gz PPWXKZGZIKBJKT-CYBMUJFWSA-N 1 2 314.360 4.460 20 5 DIBDLO C[C@H](c1ccccc1)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000505777563 340177591 /nfs/dbraw/zinc/17/75/91/340177591.db2.gz PPWXKZGZIKBJKT-CYBMUJFWSA-N 1 2 314.360 4.460 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000505821955 340178754 /nfs/dbraw/zinc/17/87/54/340178754.db2.gz STOVDHAOMNCHJM-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000505821955 340178755 /nfs/dbraw/zinc/17/87/55/340178755.db2.gz STOVDHAOMNCHJM-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509814291 340279929 /nfs/dbraw/zinc/27/99/29/340279929.db2.gz SUUOBDNUGMWFPY-SNVBAGLBSA-N 1 2 324.302 4.205 20 5 DIBDLO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509814291 340279930 /nfs/dbraw/zinc/27/99/30/340279930.db2.gz SUUOBDNUGMWFPY-SNVBAGLBSA-N 1 2 324.302 4.205 20 5 DIBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2c2cccs2)c(F)c1 ZINC000509834934 340281081 /nfs/dbraw/zinc/28/10/81/340281081.db2.gz BVKGQSLCNOSIQN-CQSZACIVSA-N 1 2 324.352 4.272 20 5 DIBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]2c2cccs2)c(F)c1 ZINC000509834934 340281082 /nfs/dbraw/zinc/28/10/82/340281082.db2.gz BVKGQSLCNOSIQN-CQSZACIVSA-N 1 2 324.352 4.272 20 5 DIBDLO CC[C@H](Nc1cc[nH+]c(C(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000174930980 340399441 /nfs/dbraw/zinc/39/94/41/340399441.db2.gz QSBKZHCFNAKGQU-AWEZNQCLSA-N 1 2 300.362 4.071 20 5 DIBDLO Cc1csc(C2([NH2+][C@@H](C)c3ccccc3[N+](=O)[O-])CCC2)n1 ZINC000266422444 526329026 /nfs/dbraw/zinc/32/90/26/526329026.db2.gz AUCOTKXILFFAHE-LBPRGKRZSA-N 1 2 317.414 4.090 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000603855346 1038303026 /nfs/dbraw/zinc/30/30/26/1038303026.db2.gz ZIEMNDLOHIHPPQ-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)cc1 ZINC000603855346 1038303042 /nfs/dbraw/zinc/30/30/42/1038303042.db2.gz ZIEMNDLOHIHPPQ-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO CC(C)c1ccc(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000603933573 1038321453 /nfs/dbraw/zinc/32/14/53/1038321453.db2.gz SYIMSGFNYZGLSD-UHFFFAOYSA-N 1 2 304.415 4.412 20 5 DIBDLO CC(C)c1ccc(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000603933573 1038321466 /nfs/dbraw/zinc/32/14/66/1038321466.db2.gz SYIMSGFNYZGLSD-UHFFFAOYSA-N 1 2 304.415 4.412 20 5 DIBDLO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1 ZINC000061556102 1038407364 /nfs/dbraw/zinc/40/73/64/1038407364.db2.gz ROASECIOMKVLGC-SFHVURJKSA-N 1 2 308.337 4.067 20 5 DIBDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167544722 1038567402 /nfs/dbraw/zinc/56/74/02/1038567402.db2.gz UIZDMKSNAZHQLC-GFCCVEGCSA-N 1 2 316.788 4.195 20 5 DIBDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167544722 1038567406 /nfs/dbraw/zinc/56/74/06/1038567406.db2.gz UIZDMKSNAZHQLC-GFCCVEGCSA-N 1 2 316.788 4.195 20 5 DIBDLO CCc1nc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000162349233 1039099830 /nfs/dbraw/zinc/09/98/30/1039099830.db2.gz MXZKVFANVTXBIG-NEPJUHHUSA-N 1 2 319.430 4.334 20 5 DIBDLO CCN(CC)c1ccc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000319788700 1042260447 /nfs/dbraw/zinc/26/04/47/1042260447.db2.gz ZKHHHGQNDZZZGF-ZDUSSCGKSA-N 1 2 314.389 4.009 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000420990335 1042619010 /nfs/dbraw/zinc/61/90/10/1042619010.db2.gz FIJIVHNFPGOFCU-CQSZACIVSA-N 1 2 324.302 4.220 20 5 DIBDLO O=[N+]([O-])c1ccc(CNc2ccc([N@@H+]3C[C@H]4CC[C@@H]3C4)cc2)cc1 ZINC000192215725 1043266954 /nfs/dbraw/zinc/26/69/54/1043266954.db2.gz DEHUNVWYXQHJHR-HNAYVOBHSA-N 1 2 323.396 4.196 20 5 DIBDLO O=[N+]([O-])c1ccc(CNc2ccc([N@H+]3C[C@H]4CC[C@@H]3C4)cc2)cc1 ZINC000192215725 1043266963 /nfs/dbraw/zinc/26/69/63/1043266963.db2.gz DEHUNVWYXQHJHR-HNAYVOBHSA-N 1 2 323.396 4.196 20 5 DIBDLO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872018982 1043421066 /nfs/dbraw/zinc/42/10/66/1043421066.db2.gz RDXGKECRUGAOPV-NWDGAFQWSA-N 1 2 318.348 4.154 20 5 DIBDLO Cc1cccc(F)c1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037884 1043431319 /nfs/dbraw/zinc/43/13/19/1043431319.db2.gz GHXVDDKMTOXVCR-NSHDSACASA-N 1 2 306.312 4.032 20 5 DIBDLO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872054616 1043437058 /nfs/dbraw/zinc/43/70/58/1043437058.db2.gz AERODOCCXNQMEK-LLVKDONJSA-N 1 2 318.323 4.213 20 5 DIBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cscn1 ZINC000872084842 1043454669 /nfs/dbraw/zinc/45/46/69/1043454669.db2.gz LDMVBHSSFVGSOC-NXEZZACHSA-N 1 2 323.443 4.185 20 5 DIBDLO C[N@H+](Cc1ccc(CF)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000777601459 1043622254 /nfs/dbraw/zinc/62/22/54/1043622254.db2.gz AGDWBUGSHLKBFB-UHFFFAOYSA-N 1 2 322.767 4.350 20 5 DIBDLO C[N@@H+](Cc1ccc(CF)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000777601459 1043622263 /nfs/dbraw/zinc/62/22/63/1043622263.db2.gz AGDWBUGSHLKBFB-UHFFFAOYSA-N 1 2 322.767 4.350 20 5 DIBDLO Cc1cc(F)ccc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001168042185 1043931631 /nfs/dbraw/zinc/93/16/31/1043931631.db2.gz BPLLGCVNDCAEHS-UHFFFAOYSA-N 1 2 322.767 4.328 20 5 DIBDLO Cc1cc(F)ccc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001168042185 1043931635 /nfs/dbraw/zinc/93/16/35/1043931635.db2.gz BPLLGCVNDCAEHS-UHFFFAOYSA-N 1 2 322.767 4.328 20 5 DIBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000578966814 1045286205 /nfs/dbraw/zinc/28/62/05/1045286205.db2.gz IJTWMUSGSOGERN-LBPRGKRZSA-N 1 2 318.348 4.023 20 5 DIBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000578966814 1045286209 /nfs/dbraw/zinc/28/62/09/1045286209.db2.gz IJTWMUSGSOGERN-LBPRGKRZSA-N 1 2 318.348 4.023 20 5 DIBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000449634789 1045424716 /nfs/dbraw/zinc/42/47/16/1045424716.db2.gz RXQPKRGPHXPJFG-NTSMAEHXSA-N 1 2 324.380 4.428 20 5 DIBDLO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000449634789 1045424720 /nfs/dbraw/zinc/42/47/20/1045424720.db2.gz RXQPKRGPHXPJFG-NTSMAEHXSA-N 1 2 324.380 4.428 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)cc1Cl ZINC000783498612 1046600216 /nfs/dbraw/zinc/60/02/16/1046600216.db2.gz OFOHJXMRDFVNQZ-HNNXBMFYSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]2c2ccccc2)cc1Cl ZINC000783498612 1046600224 /nfs/dbraw/zinc/60/02/24/1046600224.db2.gz OFOHJXMRDFVNQZ-HNNXBMFYSA-N 1 2 302.761 4.195 20 5 DIBDLO Cc1cccc(C2=CC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000537843637 1047640003 /nfs/dbraw/zinc/64/00/03/1047640003.db2.gz FJPSVILRQPQVMW-UHFFFAOYSA-N 1 2 314.410 4.254 20 5 DIBDLO Cc1cccc(C2=CC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000537843637 1047640006 /nfs/dbraw/zinc/64/00/06/1047640006.db2.gz FJPSVILRQPQVMW-UHFFFAOYSA-N 1 2 314.410 4.254 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccccc1Cl)C1CC1 ZINC000553805183 1047945962 /nfs/dbraw/zinc/94/59/62/1047945962.db2.gz XNOAWONGVZMELF-UHFFFAOYSA-N 1 2 316.788 4.413 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccccc1Cl)C1CC1 ZINC000553805183 1047945967 /nfs/dbraw/zinc/94/59/67/1047945967.db2.gz XNOAWONGVZMELF-UHFFFAOYSA-N 1 2 316.788 4.413 20 5 DIBDLO N=C1C=C(Cl)C=C(N)[N@H+]1c1c2ccccc2cc2ccccc21 ZINC001175351983 1048272693 /nfs/dbraw/zinc/27/26/93/1048272693.db2.gz GAPJCPIWKZPIBF-UHFFFAOYSA-N 1 2 319.795 4.499 20 5 DIBDLO N=C1C=C(Cl)C=C(N)[N@@H+]1c1c2ccccc2cc2ccccc21 ZINC001175351983 1048272703 /nfs/dbraw/zinc/27/27/03/1048272703.db2.gz GAPJCPIWKZPIBF-UHFFFAOYSA-N 1 2 319.795 4.499 20 5 DIBDLO CCSCc1ccc[nH+]c1NCc1cccc([N+](=O)[O-])c1C ZINC001203465106 1048910219 /nfs/dbraw/zinc/91/02/19/1048910219.db2.gz VXOQZFHGUXOASG-UHFFFAOYSA-N 1 2 317.414 4.163 20 5 DIBDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001191329624 1048928283 /nfs/dbraw/zinc/92/82/83/1048928283.db2.gz IJWNCAGUUWBNTL-GFCCVEGCSA-N 1 2 316.788 4.195 20 5 DIBDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001191329624 1048928293 /nfs/dbraw/zinc/92/82/93/1048928293.db2.gz IJWNCAGUUWBNTL-GFCCVEGCSA-N 1 2 316.788 4.195 20 5 DIBDLO Nc1ccc(Nc2ccc3[nH+]c4ccccc4cc3c2)c(F)n1 ZINC001203620255 1048942583 /nfs/dbraw/zinc/94/25/83/1048942583.db2.gz CTOLRFJOESDDPJ-UHFFFAOYSA-N 1 2 304.328 4.248 20 5 DIBDLO OCc1cc[nH+]c(NCc2c3ccccc3cc3ccccc32)c1 ZINC001178992048 1049119403 /nfs/dbraw/zinc/11/94/03/1049119403.db2.gz KRXQQVUMTKPXOR-UHFFFAOYSA-N 1 2 314.388 4.492 20 5 DIBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000339066446 1049645921 /nfs/dbraw/zinc/64/59/21/1049645921.db2.gz QCAORKCCNJRTOK-OAHLLOKOSA-N 1 2 320.776 4.195 20 5 DIBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000339066445 1049646569 /nfs/dbraw/zinc/64/65/69/1049646569.db2.gz QCAORKCCNJRTOK-HNNXBMFYSA-N 1 2 320.776 4.195 20 5 DIBDLO CC1(C)C[C@H]([NH2+][C@@H]2CCCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000588232469 1049976993 /nfs/dbraw/zinc/97/69/93/1049976993.db2.gz IJMKUUKZMLMLMX-UONOGXRCSA-N 1 2 310.344 4.095 20 5 DIBDLO O=[N+]([O-])c1cc(Nc2cc[nH+]c(-c3ccccc3)c2)ccc1O ZINC001210393424 1050232020 /nfs/dbraw/zinc/23/20/20/1050232020.db2.gz UGQAJTDCUIVLGQ-UHFFFAOYSA-N 1 2 307.309 4.106 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCCc3sccc3C2)c1 ZINC000735492040 1050403074 /nfs/dbraw/zinc/40/30/74/1050403074.db2.gz FGDSIJWOKRNIBL-UHFFFAOYSA-N 1 2 322.817 4.258 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CCCc3sccc3C2)c1 ZINC000735492040 1050403086 /nfs/dbraw/zinc/40/30/86/1050403086.db2.gz FGDSIJWOKRNIBL-UHFFFAOYSA-N 1 2 322.817 4.258 20 5 DIBDLO COc1ccc2[nH+]c(C)cc(OCc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000594669653 1050541297 /nfs/dbraw/zinc/54/12/97/1050541297.db2.gz WWHRJNAQWJJISX-UHFFFAOYSA-N 1 2 324.336 4.039 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595706294 1050663287 /nfs/dbraw/zinc/66/32/87/1050663287.db2.gz YIVRWSBZAKLOHF-MLGOLLRUSA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595706294 1050663296 /nfs/dbraw/zinc/66/32/96/1050663296.db2.gz YIVRWSBZAKLOHF-MLGOLLRUSA-N 1 2 300.333 4.242 20 5 DIBDLO Cc1c[nH+]c(CCNc2ccc(C(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000596297809 1050699313 /nfs/dbraw/zinc/69/93/13/1050699313.db2.gz JCSOHONVYLPVES-UHFFFAOYSA-N 1 2 321.327 4.199 20 5 DIBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000601319099 1050786413 /nfs/dbraw/zinc/78/64/13/1050786413.db2.gz WPJDAGMTRIAACP-JKSUJKDBSA-N 1 2 318.323 4.022 20 5 DIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000601318922 1050786646 /nfs/dbraw/zinc/78/66/46/1050786646.db2.gz UITUWSYCSYSQDM-SJCJKPOMSA-N 1 2 320.339 4.404 20 5 DIBDLO C[C@H]([NH2+][C@@H](CF)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601319081 1050787542 /nfs/dbraw/zinc/78/75/42/1050787542.db2.gz WBERPZQGGYSGMS-ZBEGNZNMSA-N 1 2 306.312 4.095 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(Nc2ccn3cc[nH+]c3c2)c1Cl ZINC001215580091 1051256068 /nfs/dbraw/zinc/25/60/68/1051256068.db2.gz DLASPGSVUURWLD-UHFFFAOYSA-N 1 2 323.139 4.293 20 5 DIBDLO C[C@H](c1ccccc1)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494146800 1051694279 /nfs/dbraw/zinc/69/42/79/1051694279.db2.gz VQSMLXRNVIAHRB-GFCCVEGCSA-N 1 2 304.777 4.441 20 5 DIBDLO C[C@H](c1ccccc1)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494146800 1051694284 /nfs/dbraw/zinc/69/42/84/1051694284.db2.gz VQSMLXRNVIAHRB-GFCCVEGCSA-N 1 2 304.777 4.441 20 5 DIBDLO Cc1c(C[NH2+][C@H](c2ccco2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000326281331 1052463783 /nfs/dbraw/zinc/46/37/83/1052463783.db2.gz LGSMIGYUZPVOEB-IBGZPJMESA-N 1 2 322.364 4.375 20 5 DIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000917005880 1052679147 /nfs/dbraw/zinc/67/91/47/1052679147.db2.gz DTOYYZLFXAPQQP-INIZCTEOSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000917005880 1052679150 /nfs/dbraw/zinc/67/91/50/1052679150.db2.gz DTOYYZLFXAPQQP-INIZCTEOSA-N 1 2 318.323 4.210 20 5 DIBDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917006014 1052679314 /nfs/dbraw/zinc/67/93/14/1052679314.db2.gz GZIKPRMXWQRXGB-JTQLQIEISA-N 1 2 324.302 4.205 20 5 DIBDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917006014 1052679317 /nfs/dbraw/zinc/67/93/17/1052679317.db2.gz GZIKPRMXWQRXGB-JTQLQIEISA-N 1 2 324.302 4.205 20 5 DIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000917066494 1052689688 /nfs/dbraw/zinc/68/96/88/1052689688.db2.gz IOCNVDJMLCQTOO-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000917066494 1052689692 /nfs/dbraw/zinc/68/96/92/1052689692.db2.gz IOCNVDJMLCQTOO-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCCc2sccc2C1 ZINC000609705034 1052988432 /nfs/dbraw/zinc/98/84/32/1052988432.db2.gz IUBBQKLZSDBKBP-UHFFFAOYSA-N 1 2 322.817 4.258 20 5 DIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CCCc2sccc2C1 ZINC000609705034 1052988433 /nfs/dbraw/zinc/98/84/33/1052988433.db2.gz IUBBQKLZSDBKBP-UHFFFAOYSA-N 1 2 322.817 4.258 20 5 DIBDLO CCCCNc1[nH+]c2ccccc2n1Cc1ccccc1[N+](=O)[O-] ZINC000849478366 1053095426 /nfs/dbraw/zinc/09/54/26/1053095426.db2.gz RFHBAULLWAEPMO-UHFFFAOYSA-N 1 2 324.384 4.205 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2sccc2Cl)C2CC2)c1 ZINC000618809005 1053373104 /nfs/dbraw/zinc/37/31/04/1053373104.db2.gz QTEVUJFRFLNREB-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2sccc2Cl)C2CC2)c1 ZINC000618809005 1053373117 /nfs/dbraw/zinc/37/31/17/1053373117.db2.gz QTEVUJFRFLNREB-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184470773 1054045860 /nfs/dbraw/zinc/04/58/60/1054045860.db2.gz QUJTXOIEHWJOBL-LLVKDONJSA-N 1 2 319.430 4.200 20 5 DIBDLO Cc1ccccc1[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000553439300 1056152214 /nfs/dbraw/zinc/15/22/14/1056152214.db2.gz VZBSPFNDKQZAFT-SFHVURJKSA-N 1 2 314.385 4.096 20 5 DIBDLO Cc1ccc(C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC001615187455 1056471482 /nfs/dbraw/zinc/47/14/82/1056471482.db2.gz HVEKGSGLVOJOPB-GFCCVEGCSA-N 1 2 320.339 4.374 20 5 DIBDLO Cc1ccc(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC001615187455 1056471488 /nfs/dbraw/zinc/47/14/88/1056471488.db2.gz HVEKGSGLVOJOPB-GFCCVEGCSA-N 1 2 320.339 4.374 20 5 DIBDLO Cc1cc(C)cc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001559639171 1059466252 /nfs/dbraw/zinc/46/62/52/1059466252.db2.gz CFZJKEXHDRXRMH-UHFFFAOYSA-N 1 2 318.804 4.497 20 5 DIBDLO Cc1cc(C)cc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC001559639171 1059466261 /nfs/dbraw/zinc/46/62/61/1059466261.db2.gz CFZJKEXHDRXRMH-UHFFFAOYSA-N 1 2 318.804 4.497 20 5 DIBDLO C[C@H]([NH2+]Cc1nsc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC001560118888 1059922592 /nfs/dbraw/zinc/92/25/92/1059922592.db2.gz FXMBGPGZZRDROA-NSHDSACASA-N 1 2 313.382 4.055 20 5 DIBDLO C[C@H](c1ccccc1Cl)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001473218690 1060994898 /nfs/dbraw/zinc/99/48/98/1060994898.db2.gz VTFIHXPIWXCVBC-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H](c1ccccc1Cl)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001473218690 1060994911 /nfs/dbraw/zinc/99/49/11/1060994911.db2.gz VTFIHXPIWXCVBC-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO Cc1ccc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)cc1[N+](=O)[O-] ZINC001251019636 1061185421 /nfs/dbraw/zinc/18/54/21/1061185421.db2.gz ZCIJYASKVDRTEU-UHFFFAOYSA-N 1 2 322.368 4.047 20 5 DIBDLO CC[N@H+](Cc1occc1C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001473558003 1061246449 /nfs/dbraw/zinc/24/64/49/1061246449.db2.gz CLCWLPMMRFOXAX-UHFFFAOYSA-N 1 2 308.765 4.172 20 5 DIBDLO CC[N@@H+](Cc1occc1C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001473558003 1061246471 /nfs/dbraw/zinc/24/64/71/1061246471.db2.gz CLCWLPMMRFOXAX-UHFFFAOYSA-N 1 2 308.765 4.172 20 5 DIBDLO CCSCc1cc[nH+]c(NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001474070852 1061615865 /nfs/dbraw/zinc/61/58/65/1061615865.db2.gz KUMPYWNIXHJEKK-UHFFFAOYSA-N 1 2 317.414 4.163 20 5 DIBDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001459594328 1062235537 /nfs/dbraw/zinc/23/55/37/1062235537.db2.gz PDDAEZHWVMOKGE-GFCCVEGCSA-N 1 2 316.788 4.195 20 5 DIBDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001459594328 1062235560 /nfs/dbraw/zinc/23/55/60/1062235560.db2.gz PDDAEZHWVMOKGE-GFCCVEGCSA-N 1 2 316.788 4.195 20 5 DIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC001460350162 1062801206 /nfs/dbraw/zinc/80/12/06/1062801206.db2.gz QTEZVKKRJAKREV-NOZJJQNGSA-N 1 2 315.200 4.276 20 5 DIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H]2CCCC[C@H]21 ZINC001460350162 1062801228 /nfs/dbraw/zinc/80/12/28/1062801228.db2.gz QTEZVKKRJAKREV-NOZJJQNGSA-N 1 2 315.200 4.276 20 5 DIBDLO Cc1ccc(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)[nH+]1 ZINC001461370397 1063451793 /nfs/dbraw/zinc/45/17/93/1063451793.db2.gz TUBVCSHXVARTQD-UHFFFAOYSA-N 1 2 323.352 4.479 20 5 DIBDLO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001462009288 1063876639 /nfs/dbraw/zinc/87/66/39/1063876639.db2.gz UYYSCXJRVDOSDW-SECBINFHSA-N 1 2 303.189 4.134 20 5 DIBDLO C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC001462009288 1063876634 /nfs/dbraw/zinc/87/66/34/1063876634.db2.gz UYYSCXJRVDOSDW-SECBINFHSA-N 1 2 303.189 4.134 20 5 DIBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC001307514536 1065453161 /nfs/dbraw/zinc/45/31/61/1065453161.db2.gz SDTPNUXIQFLZLW-SJCJKPOMSA-N 1 2 316.788 4.441 20 5 DIBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC001307514536 1065453165 /nfs/dbraw/zinc/45/31/65/1065453165.db2.gz SDTPNUXIQFLZLW-SJCJKPOMSA-N 1 2 316.788 4.441 20 5 DIBDLO O=[N+]([O-])c1cccc([C@@H]([NH2+]Cc2ccco2)c2ccccc2)c1 ZINC000179970360 331554194 /nfs/dbraw/zinc/55/41/94/331554194.db2.gz YFDXRFBKNJBNMM-SFHVURJKSA-N 1 2 308.337 4.067 20 5 DIBDLO Cc1[nH+]c(C(C)C)ccc1COc1cc(F)cc([N+](=O)[O-])c1 ZINC000558843658 331950193 /nfs/dbraw/zinc/95/01/93/331950193.db2.gz LNGCZBWUJUJPRT-UHFFFAOYSA-N 1 2 304.321 4.140 20 5 DIBDLO Cc1cc2[nH+]cn(Cc3c(Cl)cccc3[N+](=O)[O-])c2cc1C ZINC000387825529 333179307 /nfs/dbraw/zinc/17/93/07/333179307.db2.gz XNATUTJIXZFUDG-UHFFFAOYSA-N 1 2 315.760 4.263 20 5 DIBDLO O=[N+]([O-])c1cnc(Nc2cccc([NH+]3CCCCCC3)c2)s1 ZINC000443521543 338453432 /nfs/dbraw/zinc/45/34/32/338453432.db2.gz VQSILVBHIGSYKO-UHFFFAOYSA-N 1 2 318.402 4.175 20 5 DIBDLO Cc1c(C[N@@H+](C)[C@H](C)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000518834806 335308109 /nfs/dbraw/zinc/30/81/09/335308109.db2.gz BYBBDWBCEGQSQB-GFCCVEGCSA-N 1 2 320.339 4.374 20 5 DIBDLO Cc1c(C[N@H+](C)[C@H](C)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000518834806 335308110 /nfs/dbraw/zinc/30/81/10/335308110.db2.gz BYBBDWBCEGQSQB-GFCCVEGCSA-N 1 2 320.339 4.374 20 5 DIBDLO Cc1csc([C@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)n1 ZINC000331919908 336152974 /nfs/dbraw/zinc/15/29/74/336152974.db2.gz JTDDIQBVINJWPW-OAHLLOKOSA-N 1 2 317.414 4.087 20 5 DIBDLO Cc1csc([C@H]2CCCC[N@H+]2Cc2cccc([N+](=O)[O-])c2)n1 ZINC000331919908 336152976 /nfs/dbraw/zinc/15/29/76/336152976.db2.gz JTDDIQBVINJWPW-OAHLLOKOSA-N 1 2 317.414 4.087 20 5 DIBDLO C[C@H]([NH2+]CC(F)(F)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000580381699 336262844 /nfs/dbraw/zinc/26/28/44/336262844.db2.gz RBHDJFQLEZEGFQ-LBPRGKRZSA-N 1 2 306.312 4.037 20 5 DIBDLO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000182638736 336277626 /nfs/dbraw/zinc/27/76/26/336277626.db2.gz JXLLZRYQPAUDBC-NSHDSACASA-N 1 2 314.316 4.331 20 5 DIBDLO CC[C@@H](Nc1cc[nH+]c(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000301510009 336311484 /nfs/dbraw/zinc/31/14/84/336311484.db2.gz DWGFBOKSWWHNJQ-CQSZACIVSA-N 1 2 314.389 4.246 20 5 DIBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000183643481 337194096 /nfs/dbraw/zinc/19/40/96/337194096.db2.gz TYHDZVMPFHWAPC-LJQANCHMSA-N 1 2 322.364 4.375 20 5 DIBDLO C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000464724169 339150152 /nfs/dbraw/zinc/15/01/52/339150152.db2.gz FHMCGMINRYPYRK-NHYWBVRUSA-N 1 2 320.389 4.379 20 5 DIBDLO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000464724169 339150153 /nfs/dbraw/zinc/15/01/53/339150153.db2.gz FHMCGMINRYPYRK-NHYWBVRUSA-N 1 2 320.389 4.379 20 5 DIBDLO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000464852014 339157874 /nfs/dbraw/zinc/15/78/74/339157874.db2.gz HOLLNWWMEZLBGZ-BLLLJJGKSA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000464852014 339157875 /nfs/dbraw/zinc/15/78/75/339157875.db2.gz HOLLNWWMEZLBGZ-BLLLJJGKSA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000470942514 339331993 /nfs/dbraw/zinc/33/19/93/339331993.db2.gz CCWOLIVNPSKADU-PSASIEDQSA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000470942514 339331994 /nfs/dbraw/zinc/33/19/94/339331994.db2.gz CCWOLIVNPSKADU-PSASIEDQSA-N 1 2 322.714 4.021 20 5 DIBDLO CSc1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000471017637 339334566 /nfs/dbraw/zinc/33/45/66/339334566.db2.gz GEGGTMMDCJRXGE-UHFFFAOYSA-N 1 2 320.389 4.088 20 5 DIBDLO CSc1ccccc1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000471017637 339334567 /nfs/dbraw/zinc/33/45/67/339334567.db2.gz GEGGTMMDCJRXGE-UHFFFAOYSA-N 1 2 320.389 4.088 20 5 DIBDLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505607740 340172847 /nfs/dbraw/zinc/17/28/47/340172847.db2.gz JZFJEOQELGRVDR-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505607740 340172848 /nfs/dbraw/zinc/17/28/48/340172848.db2.gz JZFJEOQELGRVDR-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO CC(C)c1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000505694078 340175089 /nfs/dbraw/zinc/17/50/89/340175089.db2.gz KBNDGQHWKNOGQU-AWEZNQCLSA-N 1 2 313.401 4.097 20 5 DIBDLO CC(C)c1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000505694078 340175090 /nfs/dbraw/zinc/17/50/90/340175090.db2.gz KBNDGQHWKNOGQU-AWEZNQCLSA-N 1 2 313.401 4.097 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cccc(F)c1F)C1CC1 ZINC000507171457 340210893 /nfs/dbraw/zinc/21/08/93/340210893.db2.gz VKQKZWSJVAWUDH-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cccc(F)c1F)C1CC1 ZINC000507171457 340210894 /nfs/dbraw/zinc/21/08/94/340210894.db2.gz VKQKZWSJVAWUDH-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cc(F)cc(F)c1)C1CC1 ZINC000507169814 340210911 /nfs/dbraw/zinc/21/09/11/340210911.db2.gz XGYDFSBCRZVLSU-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cc(F)cc(F)c1)C1CC1 ZINC000507169814 340210912 /nfs/dbraw/zinc/21/09/12/340210912.db2.gz XGYDFSBCRZVLSU-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000507191281 340212198 /nfs/dbraw/zinc/21/21/98/340212198.db2.gz NUVVOCUWYHUJQZ-NSHDSACASA-N 1 2 320.776 4.147 20 5 DIBDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000507191281 340212199 /nfs/dbraw/zinc/21/21/99/340212199.db2.gz NUVVOCUWYHUJQZ-NSHDSACASA-N 1 2 320.776 4.147 20 5 DIBDLO C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000507214907 340213937 /nfs/dbraw/zinc/21/39/37/340213937.db2.gz RECZDONBDBPGNH-NSHDSACASA-N 1 2 320.776 4.147 20 5 DIBDLO C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000507214907 340213938 /nfs/dbraw/zinc/21/39/38/340213938.db2.gz RECZDONBDBPGNH-NSHDSACASA-N 1 2 320.776 4.147 20 5 DIBDLO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000509657007 340275986 /nfs/dbraw/zinc/27/59/86/340275986.db2.gz ZJXTWLITWCSJCE-DIFFPNOSSA-N 1 2 318.323 4.066 20 5 DIBDLO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000509657007 340275987 /nfs/dbraw/zinc/27/59/87/340275987.db2.gz ZJXTWLITWCSJCE-DIFFPNOSSA-N 1 2 318.323 4.066 20 5 DIBDLO C[C@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000509657009 340276025 /nfs/dbraw/zinc/27/60/25/340276025.db2.gz ZJXTWLITWCSJCE-GTNSWQLSSA-N 1 2 318.323 4.066 20 5 DIBDLO C[C@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000509657009 340276026 /nfs/dbraw/zinc/27/60/26/340276026.db2.gz ZJXTWLITWCSJCE-GTNSWQLSSA-N 1 2 318.323 4.066 20 5 DIBDLO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1nc2ccccc2o1 ZINC000554191413 341446600 /nfs/dbraw/zinc/44/66/00/341446600.db2.gz HQQCDTVLXMTBJF-VXGBXAGGSA-N 1 2 311.341 4.148 20 5 DIBDLO Cc1nn(Cc2ccc(C(C)C)[nH+]c2C)c2ccc([N+](=O)[O-])cc12 ZINC000555037118 341473464 /nfs/dbraw/zinc/47/34/64/341473464.db2.gz WPFWYNCOHIGOQZ-UHFFFAOYSA-N 1 2 324.384 4.128 20 5 DIBDLO CCCCc1nc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000180420882 521302152 /nfs/dbraw/zinc/30/21/52/521302152.db2.gz LAHAZSWIOXKXHP-LBPRGKRZSA-N 1 2 319.430 4.245 20 5 DIBDLO CCCc1nc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000181807573 521517252 /nfs/dbraw/zinc/51/72/52/521517252.db2.gz ADXARUUAFWEOME-GFCCVEGCSA-N 1 2 319.430 4.163 20 5 DIBDLO Cc1ccc(C[N@@H+]2CCc3c(Cl)cccc3C2)cc1[N+](=O)[O-] ZINC001167458088 1037585137 /nfs/dbraw/zinc/58/51/37/1037585137.db2.gz PIRHTHZHTYBIRU-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)cc1[N+](=O)[O-] ZINC001167458088 1037585147 /nfs/dbraw/zinc/58/51/47/1037585147.db2.gz PIRHTHZHTYBIRU-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505504 1037618689 /nfs/dbraw/zinc/61/86/89/1037618689.db2.gz MWUPWDLOVUEYJQ-BLLLJJGKSA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505504 1037618698 /nfs/dbraw/zinc/61/86/98/1037618698.db2.gz MWUPWDLOVUEYJQ-BLLLJJGKSA-N 1 2 300.333 4.242 20 5 DIBDLO CCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000604493279 1038420732 /nfs/dbraw/zinc/42/07/32/1038420732.db2.gz CJYKPMLLHSQFLY-UHFFFAOYSA-N 1 2 308.378 4.208 20 5 DIBDLO CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000604493279 1038420736 /nfs/dbraw/zinc/42/07/36/1038420736.db2.gz CJYKPMLLHSQFLY-UHFFFAOYSA-N 1 2 308.378 4.208 20 5 DIBDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000162348947 1039097397 /nfs/dbraw/zinc/09/73/97/1039097397.db2.gz MXZKVFANVTXBIG-NWDGAFQWSA-N 1 2 319.430 4.334 20 5 DIBDLO CC[N@H+](CCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611777705 1039377652 /nfs/dbraw/zinc/37/76/52/1039377652.db2.gz NEHZRQCESKQAPQ-UHFFFAOYSA-N 1 2 310.703 4.023 20 5 DIBDLO CC[N@@H+](CCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000611777705 1039377666 /nfs/dbraw/zinc/37/76/66/1039377666.db2.gz NEHZRQCESKQAPQ-UHFFFAOYSA-N 1 2 310.703 4.023 20 5 DIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000601318921 1039944787 /nfs/dbraw/zinc/94/47/87/1039944787.db2.gz UITUWSYCSYSQDM-PXAZEXFGSA-N 1 2 320.339 4.404 20 5 DIBDLO CC(C)[N@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541067125 1041307754 /nfs/dbraw/zinc/30/77/54/1041307754.db2.gz WIXGPVMIFDHZLK-UHFFFAOYSA-N 1 2 308.765 4.252 20 5 DIBDLO CC(C)[N@@H+](Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541067125 1041307778 /nfs/dbraw/zinc/30/77/78/1041307778.db2.gz WIXGPVMIFDHZLK-UHFFFAOYSA-N 1 2 308.765 4.252 20 5 DIBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000418117422 1041726106 /nfs/dbraw/zinc/72/61/06/1041726106.db2.gz TUAWGJHNFMGEQZ-GFCCVEGCSA-N 1 2 312.369 4.029 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000420990331 1042618990 /nfs/dbraw/zinc/61/89/90/1042618990.db2.gz FIJIVHNFPGOFCU-AWEZNQCLSA-N 1 2 324.302 4.220 20 5 DIBDLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000268866451 1043337200 /nfs/dbraw/zinc/33/72/00/1043337200.db2.gz FOYWYISMCDMSSD-QWRGUYRKSA-N 1 2 305.403 4.080 20 5 DIBDLO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872018983 1043422282 /nfs/dbraw/zinc/42/22/82/1043422282.db2.gz RDXGKECRUGAOPV-RYUDHWBXSA-N 1 2 318.348 4.154 20 5 DIBDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000872054414 1043437123 /nfs/dbraw/zinc/43/71/23/1043437123.db2.gz VNYWSWGEWREAEU-NXEZZACHSA-N 1 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ZINC000878373772 1043882802 /nfs/dbraw/zinc/88/28/02/1043882802.db2.gz OJZWZXJEELNLRG-SECBINFHSA-N 1 2 314.263 4.057 20 5 DIBDLO CSc1ccccc1C[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000348326868 1044535440 /nfs/dbraw/zinc/53/54/40/1044535440.db2.gz SLGGBNOFFVFYNP-UHFFFAOYSA-N 1 2 308.428 4.010 20 5 DIBDLO CSc1ccccc1C[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000348326868 1044535457 /nfs/dbraw/zinc/53/54/57/1044535457.db2.gz SLGGBNOFFVFYNP-UHFFFAOYSA-N 1 2 308.428 4.010 20 5 DIBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000449634787 1045424538 /nfs/dbraw/zinc/42/45/38/1045424538.db2.gz RXQPKRGPHXPJFG-BKSIFSGMSA-N 1 2 324.380 4.428 20 5 DIBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000449634787 1045424540 /nfs/dbraw/zinc/42/45/40/1045424540.db2.gz RXQPKRGPHXPJFG-BKSIFSGMSA-N 1 2 324.380 4.428 20 5 DIBDLO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000449634785 1045424574 /nfs/dbraw/zinc/42/45/74/1045424574.db2.gz 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CCc1cccnc1[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000780728137 1046400275 /nfs/dbraw/zinc/40/02/75/1046400275.db2.gz IDSYJEAOTQUPDL-LLVKDONJSA-N 1 2 319.792 4.056 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@H]2c2ccncc2)cs1 ZINC000121903927 1046924096 /nfs/dbraw/zinc/92/40/96/1046924096.db2.gz VFNVZKLUZYLQPM-HNNXBMFYSA-N 1 2 317.414 4.169 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCCC[C@H]2c2ccncc2)cs1 ZINC000121903927 1046924107 /nfs/dbraw/zinc/92/41/07/1046924107.db2.gz VFNVZKLUZYLQPM-HNNXBMFYSA-N 1 2 317.414 4.169 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cs1 ZINC000054271853 1047455197 /nfs/dbraw/zinc/45/51/97/1047455197.db2.gz FQXDRNUFKISQHA-AWEZNQCLSA-N 1 2 306.362 4.133 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cs1 ZINC000054271853 1047455205 /nfs/dbraw/zinc/45/52/05/1047455205.db2.gz FQXDRNUFKISQHA-AWEZNQCLSA-N 1 2 306.362 4.133 20 5 DIBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000555420643 1048343974 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CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1cccnc1 ZINC000589205621 1050025035 /nfs/dbraw/zinc/02/50/35/1050025035.db2.gz CKRLCACRJGUQAV-GFCCVEGCSA-N 1 2 319.792 4.226 20 5 DIBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000734835108 1050324613 /nfs/dbraw/zinc/32/46/13/1050324613.db2.gz LSSFCQJJWNTUHZ-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000734835108 1050324624 /nfs/dbraw/zinc/32/46/24/1050324624.db2.gz LSSFCQJJWNTUHZ-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000740003923 1050595952 /nfs/dbraw/zinc/59/59/52/1050595952.db2.gz CDXGLEQJAOHEJE-YGRLFVJLSA-N 1 2 320.776 4.254 20 5 DIBDLO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000595560371 1050643335 /nfs/dbraw/zinc/64/33/35/1050643335.db2.gz BFWHVCXARKOKAZ-UHFFFAOYSA-N 1 2 320.751 4.166 20 5 DIBDLO Cc1c[nH+]cc(Nc2cc3nc4ccccc4nc3cc2N)c1C ZINC001213530541 1050682245 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311.385 4.134 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596589629 1050749077 /nfs/dbraw/zinc/74/90/77/1050749077.db2.gz AKAACYNRPIVDCD-GUYCJALGSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596589629 1050749083 /nfs/dbraw/zinc/74/90/83/1050749083.db2.gz AKAACYNRPIVDCD-GUYCJALGSA-N 1 2 311.385 4.134 20 5 DIBDLO CC[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601318235 1050787755 /nfs/dbraw/zinc/78/77/55/1050787755.db2.gz KTLRREQEWNDAKI-DLBZAZTESA-N 1 2 320.339 4.485 20 5 DIBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000791586236 1051064191 /nfs/dbraw/zinc/06/41/91/1051064191.db2.gz XMZIIGNDFAGHFQ-KCJUWKMLSA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000791586236 1051064200 /nfs/dbraw/zinc/06/42/00/1051064200.db2.gz XMZIIGNDFAGHFQ-KCJUWKMLSA-N 1 2 322.714 4.021 20 5 DIBDLO CC1(C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001168858995 1051452308 /nfs/dbraw/zinc/45/23/08/1051452308.db2.gz JGYXWIYDFXTLJR-UHFFFAOYSA-N 1 2 314.360 4.027 20 5 DIBDLO CC1(C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001168858995 1051452318 /nfs/dbraw/zinc/45/23/18/1051452318.db2.gz JGYXWIYDFXTLJR-UHFFFAOYSA-N 1 2 314.360 4.027 20 5 DIBDLO Cc1cc(NCc2ccc([N+](=O)[O-])c(Cl)c2)ccc1[NH+](C)C ZINC000761516316 1051586599 /nfs/dbraw/zinc/58/65/99/1051586599.db2.gz NMTBHSMOVTUVCF-UHFFFAOYSA-N 1 2 319.792 4.235 20 5 DIBDLO NC(=O)c1ccc(Nc2ccc3[nH+]c4ccccc4cc3c2)cc1 ZINC001174051446 1051941468 /nfs/dbraw/zinc/94/14/68/1051941468.db2.gz QSJCYYBMXZZTMA-UHFFFAOYSA-N 1 2 313.360 4.231 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]2c2ccccc2)ccc1Cl ZINC000768555899 1051942202 /nfs/dbraw/zinc/94/22/02/1051942202.db2.gz TYNSEKZGGVKOKA-HNNXBMFYSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]2c2ccccc2)ccc1Cl ZINC000768555899 1051942213 /nfs/dbraw/zinc/94/22/13/1051942213.db2.gz TYNSEKZGGVKOKA-HNNXBMFYSA-N 1 2 302.761 4.195 20 5 DIBDLO c1nc2ccc(Nc3ccc4[nH+]c5ccccc5cc4c3)cn2n1 ZINC001174375145 1052135906 /nfs/dbraw/zinc/13/59/06/1052135906.db2.gz LEWHDASHJJTXTC-UHFFFAOYSA-N 1 2 311.348 4.174 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1Cl ZINC000487859826 1052255686 /nfs/dbraw/zinc/25/56/86/1052255686.db2.gz MMKSQVWYQJVRQC-LBPRGKRZSA-N 1 2 304.777 4.441 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1Cl ZINC000487859826 1052255696 /nfs/dbraw/zinc/25/56/96/1052255696.db2.gz MMKSQVWYQJVRQC-LBPRGKRZSA-N 1 2 304.777 4.441 20 5 DIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000916970118 1052675529 /nfs/dbraw/zinc/67/55/29/1052675529.db2.gz LSTHIHOKSBEWEJ-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000916970118 1052675533 /nfs/dbraw/zinc/67/55/33/1052675533.db2.gz LSTHIHOKSBEWEJ-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000610079977 1053007282 /nfs/dbraw/zinc/00/72/82/1053007282.db2.gz RAPIABDMXIYIPN-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000610079977 1053007285 /nfs/dbraw/zinc/00/72/85/1053007285.db2.gz RAPIABDMXIYIPN-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO O=[N+]([O-])c1ccc2sc(/C=C\c3c[nH+]c4ccccn34)nc2c1 ZINC000610108110 1053007760 /nfs/dbraw/zinc/00/77/60/1053007760.db2.gz NSGLLAGGWSOEHB-ALCCZGGFSA-N 1 2 322.349 4.023 20 5 DIBDLO COc1cc(C)[nH+]c(CS[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC001319857194 1053281100 /nfs/dbraw/zinc/28/11/00/1053281100.db2.gz KTNNUVOPMQGSQI-LBPRGKRZSA-N 1 2 318.398 4.301 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCc1ccccc1Cl)C2 ZINC001320029976 1053298712 /nfs/dbraw/zinc/29/87/12/1053298712.db2.gz FIJILIKBSNJATK-UHFFFAOYSA-N 1 2 316.788 4.197 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCc1ccccc1Cl)C2 ZINC001320029976 1053298716 /nfs/dbraw/zinc/29/87/16/1053298716.db2.gz FIJILIKBSNJATK-UHFFFAOYSA-N 1 2 316.788 4.197 20 5 DIBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182335517 1053414261 /nfs/dbraw/zinc/41/42/61/1053414261.db2.gz NECUXXQDHMEUJJ-NSHDSACASA-N 1 2 320.776 4.147 20 5 DIBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182335517 1053414269 /nfs/dbraw/zinc/41/42/69/1053414269.db2.gz NECUXXQDHMEUJJ-NSHDSACASA-N 1 2 320.776 4.147 20 5 DIBDLO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000182433040 1053432919 /nfs/dbraw/zinc/43/29/19/1053432919.db2.gz OCSOAWXSKMEOKP-VXGBXAGGSA-N 1 2 311.341 4.148 20 5 DIBDLO Cc1oc2ccccc2c1C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324752724 1053678810 /nfs/dbraw/zinc/67/88/10/1053678810.db2.gz RKKNTXAHVVIWJQ-UHFFFAOYSA-N 1 2 308.337 4.165 20 5 DIBDLO Cc1oc2ccccc2c1C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001324752724 1053678824 /nfs/dbraw/zinc/67/88/24/1053678824.db2.gz RKKNTXAHVVIWJQ-UHFFFAOYSA-N 1 2 308.337 4.165 20 5 DIBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2Nc1ccc([NH+]2CCCC2)cc1 ZINC000848537388 1054132515 /nfs/dbraw/zinc/13/25/15/1054132515.db2.gz GVSKGKDQOMUFNE-SFHVURJKSA-N 1 2 323.396 4.294 20 5 DIBDLO Cc1cc(N(C)C)[nH+]cc1-c1ncnc2cc3ccccc3cc21 ZINC001241240065 1056975587 /nfs/dbraw/zinc/97/55/87/1056975587.db2.gz IETKUZOULRBERF-UHFFFAOYSA-N 1 2 314.392 4.219 20 5 DIBDLO C[C@@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000173393713 1057300384 /nfs/dbraw/zinc/30/03/84/1057300384.db2.gz KCQCEARFPMNFNK-CYBMUJFWSA-N 1 2 323.352 4.101 20 5 DIBDLO CC(C)c1nc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC001119090444 1057640958 /nfs/dbraw/zinc/64/09/58/1057640958.db2.gz BMKFRZPORSSSPH-LLVKDONJSA-N 1 2 305.403 4.026 20 5 DIBDLO Cc1ccc([C@H](C)[N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c(C)c1 ZINC001559496735 1059279450 /nfs/dbraw/zinc/27/94/50/1059279450.db2.gz UXNFEZHGWHTGPC-AWEZNQCLSA-N 1 2 314.385 4.110 20 5 DIBDLO Cc1ccc([C@H](C)[N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])c(C)c1 ZINC001559496735 1059279465 /nfs/dbraw/zinc/27/94/65/1059279465.db2.gz UXNFEZHGWHTGPC-AWEZNQCLSA-N 1 2 314.385 4.110 20 5 DIBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cc(C)ccc1C ZINC001560070219 1059883784 /nfs/dbraw/zinc/88/37/84/1059883784.db2.gz RGQDVWAIRGFHCT-KRWDZBQOSA-N 1 2 314.385 4.158 20 5 DIBDLO Cc1ccc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)[nH+]1 ZINC001560408140 1060192482 /nfs/dbraw/zinc/19/24/82/1060192482.db2.gz VEDCLYRVMJGCLS-UHFFFAOYSA-N 1 2 323.352 4.479 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001473537937 1061228600 /nfs/dbraw/zinc/22/86/00/1061228600.db2.gz AKLCKIZWNICJRV-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2cccc(Cl)c2C1 ZINC001473537937 1061228623 /nfs/dbraw/zinc/22/86/23/1061228623.db2.gz AKLCKIZWNICJRV-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H]1c2sccc2CC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001473762856 1061400788 /nfs/dbraw/zinc/40/07/88/1061400788.db2.gz OKMXOEDRTCZIGV-JTQLQIEISA-N 1 2 322.817 4.429 20 5 DIBDLO C[C@H]1c2sccc2CC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001473762856 1061400795 /nfs/dbraw/zinc/40/07/95/1061400795.db2.gz OKMXOEDRTCZIGV-JTQLQIEISA-N 1 2 322.817 4.429 20 5 DIBDLO Cc1cc(N[C@@H](C)c2ccccc2[N+](=O)[O-])nc(C2CCC2)[nH+]1 ZINC001458571554 1061843648 /nfs/dbraw/zinc/84/36/48/1061843648.db2.gz XWYIYWALLCMGJP-LBPRGKRZSA-N 1 2 312.373 4.134 20 5 DIBDLO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](c2ccco2)C1 ZINC001459567401 1062216878 /nfs/dbraw/zinc/21/68/78/1062216878.db2.gz VEXOAMPDGCCOHY-WBMJQRKESA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H](c2ccco2)C1 ZINC001459567401 1062216896 /nfs/dbraw/zinc/21/68/96/1062216896.db2.gz VEXOAMPDGCCOHY-WBMJQRKESA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001459594334 1062234587 /nfs/dbraw/zinc/23/45/87/1062234587.db2.gz PDDAEZHWVMOKGE-LBPRGKRZSA-N 1 2 316.788 4.195 20 5 DIBDLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001459594334 1062234609 /nfs/dbraw/zinc/23/46/09/1062234609.db2.gz PDDAEZHWVMOKGE-LBPRGKRZSA-N 1 2 316.788 4.195 20 5 DIBDLO CCC1(CC)CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001459948655 1062515830 /nfs/dbraw/zinc/51/58/30/1062515830.db2.gz FFDPSIHBBXCNHQ-UHFFFAOYSA-N 1 2 306.406 4.093 20 5 DIBDLO CCC1(CC)CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001459948655 1062515849 /nfs/dbraw/zinc/51/58/49/1062515849.db2.gz FFDPSIHBBXCNHQ-UHFFFAOYSA-N 1 2 306.406 4.093 20 5 DIBDLO CCOc1cc(Nc2ccc([NH+](C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC001306929853 1065209634 /nfs/dbraw/zinc/20/96/34/1065209634.db2.gz PMLRHJHRDTVKMN-UHFFFAOYSA-N 1 2 315.373 4.112 20 5 DIBDLO Cc1c(C[N@@H+]2CCc3cc(Cl)ccc3C2)cccc1[N+](=O)[O-] ZINC001307677009 1065556099 /nfs/dbraw/zinc/55/60/99/1065556099.db2.gz TYGPGHVXEQQFFP-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1c(C[N@H+]2CCc3cc(Cl)ccc3C2)cccc1[N+](=O)[O-] ZINC001307677009 1065556106 /nfs/dbraw/zinc/55/61/06/1065556106.db2.gz TYGPGHVXEQQFFP-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ncc(C(C)(C)C)o1 ZINC000271660242 129945587 /nfs/dbraw/zinc/94/55/87/129945587.db2.gz XVZBQOAJPPLEDP-RYUDHWBXSA-N 1 2 317.389 4.292 20 5 DIBDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000559559992 332271467 /nfs/dbraw/zinc/27/14/67/332271467.db2.gz YHXBPJGODZADGO-SECBINFHSA-N 1 2 312.341 4.128 20 5 DIBDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000559559992 332271468 /nfs/dbraw/zinc/27/14/68/332271468.db2.gz YHXBPJGODZADGO-SECBINFHSA-N 1 2 312.341 4.128 20 5 DIBDLO C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000313872970 333074230 /nfs/dbraw/zinc/07/42/30/333074230.db2.gz ZWJUVHYCHZNPGZ-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000313872970 333074233 /nfs/dbraw/zinc/07/42/33/333074233.db2.gz ZWJUVHYCHZNPGZ-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO CCCCc1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000294956002 334214698 /nfs/dbraw/zinc/21/46/98/334214698.db2.gz BIAOLKUQOUVUCW-LBPRGKRZSA-N 1 2 319.430 4.245 20 5 DIBDLO O=[N+]([O-])c1ccc(Oc2cccc(-n3cc[nH+]c3)c2)c(Cl)c1 ZINC000301360741 336302520 /nfs/dbraw/zinc/30/25/20/336302520.db2.gz MATCWVWRURHSIF-UHFFFAOYSA-N 1 2 315.716 4.226 20 5 DIBDLO Cc1nc(Nc2cccc(Oc3cc[nH+]cc3)c2)ccc1[N+](=O)[O-] ZINC000301649587 336320784 /nfs/dbraw/zinc/32/07/84/336320784.db2.gz JESOYLKQCXEJTL-UHFFFAOYSA-N 1 2 322.324 4.229 20 5 DIBDLO CCc1cnc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000182822259 337188466 /nfs/dbraw/zinc/18/84/66/337188466.db2.gz LLENMECRQWPDSQ-GFCCVEGCSA-N 1 2 319.430 4.115 20 5 DIBDLO CCc1cnc(C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000182822259 337188467 /nfs/dbraw/zinc/18/84/67/337188467.db2.gz LLENMECRQWPDSQ-GFCCVEGCSA-N 1 2 319.430 4.115 20 5 DIBDLO C[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000537179400 337906162 /nfs/dbraw/zinc/90/61/62/337906162.db2.gz IYVUYGKZPHDSIQ-JTQLQIEISA-N 1 2 308.740 4.238 20 5 DIBDLO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1c1cccnc1 ZINC000430091518 338095873 /nfs/dbraw/zinc/09/58/73/338095873.db2.gz STULUFRQSQEPAC-KKMIYCERSA-N 1 2 323.396 4.086 20 5 DIBDLO CC1(C)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1c1cccnc1 ZINC000430091518 338095874 /nfs/dbraw/zinc/09/58/74/338095874.db2.gz STULUFRQSQEPAC-KKMIYCERSA-N 1 2 323.396 4.086 20 5 DIBDLO C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000449352593 338616789 /nfs/dbraw/zinc/61/67/89/338616789.db2.gz VSILHKMZMLTVTN-GFCCVEGCSA-N 1 2 312.369 4.029 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000505786403 340177992 /nfs/dbraw/zinc/17/79/92/340177992.db2.gz ZUBKPPYRTLAOLL-INIZCTEOSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000505786403 340177993 /nfs/dbraw/zinc/17/79/93/340177993.db2.gz ZUBKPPYRTLAOLL-INIZCTEOSA-N 1 2 318.323 4.210 20 5 DIBDLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505864480 340180042 /nfs/dbraw/zinc/18/00/42/340180042.db2.gz MEQDZKYTBZQUKZ-AWEZNQCLSA-N 1 2 320.389 4.305 20 5 DIBDLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505864480 340180043 /nfs/dbraw/zinc/18/00/43/340180043.db2.gz MEQDZKYTBZQUKZ-AWEZNQCLSA-N 1 2 320.389 4.305 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(Cl)s1)C1CC1 ZINC000507169554 340210743 /nfs/dbraw/zinc/21/07/43/340210743.db2.gz WLHAXKXNPSJCCF-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(Cl)s1)C1CC1 ZINC000507169554 340210744 /nfs/dbraw/zinc/21/07/44/340210744.db2.gz WLHAXKXNPSJCCF-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO C[N@@H+](Cc1cc(Cl)ccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000507171461 340210924 /nfs/dbraw/zinc/21/09/24/340210924.db2.gz VLTNWIFOSLRJTD-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@H+](Cc1cc(Cl)ccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000507171461 340210925 /nfs/dbraw/zinc/21/09/25/340210925.db2.gz VLTNWIFOSLRJTD-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000507214905 340213913 /nfs/dbraw/zinc/21/39/13/340213913.db2.gz RECZDONBDBPGNH-LLVKDONJSA-N 1 2 320.776 4.147 20 5 DIBDLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000507214905 340213914 /nfs/dbraw/zinc/21/39/14/340213914.db2.gz RECZDONBDBPGNH-LLVKDONJSA-N 1 2 320.776 4.147 20 5 DIBDLO CC(C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000509006577 340257886 /nfs/dbraw/zinc/25/78/86/340257886.db2.gz LFWHPBBAVAZHEC-UHFFFAOYSA-N 1 2 324.302 4.037 20 5 DIBDLO C[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1cccc([N+](=O)[O-])c1 ZINC000173371566 340363515 /nfs/dbraw/zinc/36/35/15/340363515.db2.gz VLDQJOADQWDXNE-ZDUSSCGKSA-N 1 2 323.352 4.101 20 5 DIBDLO CC(C)[N@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542925373 341026628 /nfs/dbraw/zinc/02/66/28/341026628.db2.gz YCMIONPDSOEWIX-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO CC(C)[N@@H+](Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542925373 341026629 /nfs/dbraw/zinc/02/66/29/341026629.db2.gz YCMIONPDSOEWIX-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1c(F)cccc1F ZINC000549947068 341307775 /nfs/dbraw/zinc/30/77/75/341307775.db2.gz KYIBVYOJORBHFC-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1c(F)cccc1F ZINC000549947068 341307776 /nfs/dbraw/zinc/30/77/76/341307776.db2.gz KYIBVYOJORBHFC-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO CC(C)c1nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000153286243 341533448 /nfs/dbraw/zinc/53/34/48/341533448.db2.gz NEEWNTQZGLBJTK-NSHDSACASA-N 1 2 305.403 4.026 20 5 DIBDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000162331968 522421110 /nfs/dbraw/zinc/42/11/10/522421110.db2.gz WPGCQBAUSFKUHV-NWDGAFQWSA-N 1 2 319.430 4.334 20 5 DIBDLO CCc1nc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000266481310 522423822 /nfs/dbraw/zinc/42/38/22/522423822.db2.gz QEDRZGTZCPNABJ-GHMZBOCLSA-N 1 2 305.403 4.026 20 5 DIBDLO CCc1nc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000266481315 522453221 /nfs/dbraw/zinc/45/32/21/522453221.db2.gz QEDRZGTZCPNABJ-QWRGUYRKSA-N 1 2 305.403 4.026 20 5 DIBDLO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000266517622 522913125 /nfs/dbraw/zinc/91/31/25/522913125.db2.gz YVEWKEBOPLFNMU-WCQYABFASA-N 1 2 305.403 4.162 20 5 DIBDLO C[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccccc1[N+](=O)[O-] ZINC000266800545 525487169 /nfs/dbraw/zinc/48/71/69/525487169.db2.gz RRXACMSDWRYSDU-NSHDSACASA-N 1 2 319.430 4.200 20 5 DIBDLO C[C@@H]([NH2+]Cc1nc(C(C)(C)C)cs1)c1ccccc1[N+](=O)[O-] ZINC000266800543 525559439 /nfs/dbraw/zinc/55/94/39/525559439.db2.gz RRXACMSDWRYSDU-LLVKDONJSA-N 1 2 319.430 4.200 20 5 DIBDLO C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000178658729 1038908701 /nfs/dbraw/zinc/90/87/01/1038908701.db2.gz XNRQBFYKMUMRAS-ZDUSSCGKSA-N 1 2 323.352 4.101 20 5 DIBDLO CC(C)c1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000492194010 1039933770 /nfs/dbraw/zinc/93/37/70/1039933770.db2.gz PTUBCJSGKBUDTH-UHFFFAOYSA-N 1 2 319.430 4.200 20 5 DIBDLO Cc1ccc([C@@H](C)[NH2+][C@H](CF)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000601317945 1039940396 /nfs/dbraw/zinc/94/03/96/1039940396.db2.gz FGDOEWURFQFOOH-MLGOLLRUSA-N 1 2 320.339 4.404 20 5 DIBDLO Cc1ccoc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000814173691 1041779048 /nfs/dbraw/zinc/77/90/48/1041779048.db2.gz WCDYKVUBJGVQCY-UHFFFAOYSA-N 1 2 315.156 4.093 20 5 DIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2c(F)cc(F)cc2F)cc1[N+](=O)[O-] ZINC000815650215 1041985695 /nfs/dbraw/zinc/98/56/95/1041985695.db2.gz LSSDXRGNLKCZLT-SNVBAGLBSA-N 1 2 324.302 4.171 20 5 DIBDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872016672 1043419405 /nfs/dbraw/zinc/41/94/05/1043419405.db2.gz MKJFZWRINZADIK-VHSXEESVSA-N 1 2 324.302 4.424 20 5 DIBDLO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1c(C)noc1C ZINC000872051161 1043435648 /nfs/dbraw/zinc/43/56/48/1043435648.db2.gz HRPQKNOKONJOPI-ZANVPECISA-N 1 2 321.352 4.141 20 5 DIBDLO CC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1c(C)noc1C ZINC000872051160 1043436084 /nfs/dbraw/zinc/43/60/84/1043436084.db2.gz HRPQKNOKONJOPI-TVQRCGJNSA-N 1 2 321.352 4.141 20 5 DIBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000872054417 1043437553 /nfs/dbraw/zinc/43/75/53/1043437553.db2.gz VNYWSWGEWREAEU-ZJUUUORDSA-N 1 2 324.302 4.424 20 5 DIBDLO Cc1ccc(F)c(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1F ZINC000930236509 1043902212 /nfs/dbraw/zinc/90/22/12/1043902212.db2.gz XJBNWJBJFTXCSD-LLVKDONJSA-N 1 2 306.312 4.032 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(c3ccccc3F)CC2)c1 ZINC000130525064 1044208414 /nfs/dbraw/zinc/20/84/14/1044208414.db2.gz QWMSLFWIULZDSW-UHFFFAOYSA-N 1 2 320.751 4.166 20 5 DIBDLO O=[N+]([O-])c1ccc(Nc2ccc([NH2+]CC3CCCC3)cc2)nc1 ZINC000523241763 1044570178 /nfs/dbraw/zinc/57/01/78/1044570178.db2.gz JXFQEFJSCRPYBV-UHFFFAOYSA-N 1 2 312.373 4.336 20 5 DIBDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000052075158 1046359853 /nfs/dbraw/zinc/35/98/53/1046359853.db2.gz FPUFGTBUQQDLNK-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000052075158 1046359865 /nfs/dbraw/zinc/35/98/65/1046359865.db2.gz FPUFGTBUQQDLNK-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO CCn1cc(Nc2ccc3[nH+]c4ccccc4cc3c2)ccc1=O ZINC001212914598 1046517659 /nfs/dbraw/zinc/51/76/59/1046517659.db2.gz QPZUWDBHGGQFGU-UHFFFAOYSA-N 1 2 315.376 4.313 20 5 DIBDLO C[N@H+](Cc1ccc(Cl)s1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774527 1046685794 /nfs/dbraw/zinc/68/57/94/1046685794.db2.gz XBKOFLVMTUKHHR-UHFFFAOYSA-N 1 2 314.769 4.081 20 5 DIBDLO C[N@@H+](Cc1ccc(Cl)s1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774527 1046685797 /nfs/dbraw/zinc/68/57/97/1046685797.db2.gz XBKOFLVMTUKHHR-UHFFFAOYSA-N 1 2 314.769 4.081 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533513137 1046738968 /nfs/dbraw/zinc/73/89/68/1046738968.db2.gz VUPBLTIUHSNUPE-CYBMUJFWSA-N 1 2 321.380 4.195 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533513137 1046738977 /nfs/dbraw/zinc/73/89/77/1046738977.db2.gz VUPBLTIUHSNUPE-CYBMUJFWSA-N 1 2 321.380 4.195 20 5 DIBDLO CC1CC[NH+](c2ccc(Nc3ncc([N+](=O)[O-])s3)cc2)CC1 ZINC000799926000 1047076680 /nfs/dbraw/zinc/07/66/80/1047076680.db2.gz WVCLANLEWRQOGP-UHFFFAOYSA-N 1 2 318.402 4.031 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)cc1CNc1ccc2c(c1)CCC[NH2+]2 ZINC000841035252 1047373923 /nfs/dbraw/zinc/37/39/23/1047373923.db2.gz GYBOZFAQIOZNQA-UHFFFAOYSA-N 1 2 317.776 4.218 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000538632365 1047693238 /nfs/dbraw/zinc/69/32/38/1047693238.db2.gz KKIZLZHKDJSUTB-JTQLQIEISA-N 1 2 324.302 4.205 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000538632365 1047693241 /nfs/dbraw/zinc/69/32/41/1047693241.db2.gz KKIZLZHKDJSUTB-JTQLQIEISA-N 1 2 324.302 4.205 20 5 DIBDLO c1[nH]c2c(cccc2Nc2cccc3nc4ccccc4nc32)[nH+]1 ZINC001213032751 1048126629 /nfs/dbraw/zinc/12/66/29/1048126629.db2.gz WHRKUPNGYQCPNU-UHFFFAOYSA-N 1 2 311.348 4.403 20 5 DIBDLO Cc1ccc([N+](=O)[O-])c(Nc2ccc(NC3CCCC3)[nH+]c2)c1 ZINC001185170047 1048138840 /nfs/dbraw/zinc/13/88/40/1048138840.db2.gz FGMFXKUZIDUWEW-UHFFFAOYSA-N 1 2 312.373 4.396 20 5 DIBDLO CCCC[N@H+](C)c1ccc(Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC001185298106 1048160511 /nfs/dbraw/zinc/16/05/11/1048160511.db2.gz GMKPMJGYAURHFU-UHFFFAOYSA-N 1 2 314.389 4.278 20 5 DIBDLO CCCC[N@@H+](C)c1ccc(Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC001185298106 1048160517 /nfs/dbraw/zinc/16/05/17/1048160517.db2.gz GMKPMJGYAURHFU-UHFFFAOYSA-N 1 2 314.389 4.278 20 5 DIBDLO Cc1ccc(F)c(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001181276955 1049459924 /nfs/dbraw/zinc/45/99/24/1049459924.db2.gz UACAIIDHEAVYND-UHFFFAOYSA-N 1 2 322.767 4.328 20 5 DIBDLO Cc1ccc(F)c(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC001181276955 1049459926 /nfs/dbraw/zinc/45/99/26/1049459926.db2.gz UACAIIDHEAVYND-UHFFFAOYSA-N 1 2 322.767 4.328 20 5 DIBDLO CC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000339065748 1049641301 /nfs/dbraw/zinc/64/13/01/1049641301.db2.gz OYJCHTVBDFIGRF-HNNXBMFYSA-N 1 2 320.776 4.195 20 5 DIBDLO CC1(c2ccccc2)C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001206744188 1049790319 /nfs/dbraw/zinc/79/03/19/1049790319.db2.gz WYKJRSJYLNOPNE-UHFFFAOYSA-N 1 2 316.788 4.022 20 5 DIBDLO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1cccnc1 ZINC000589205622 1050024578 /nfs/dbraw/zinc/02/45/78/1050024578.db2.gz CKRLCACRJGUQAV-LBPRGKRZSA-N 1 2 319.792 4.226 20 5 DIBDLO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1cccnc1 ZINC000589205622 1050024586 /nfs/dbraw/zinc/02/45/86/1050024586.db2.gz CKRLCACRJGUQAV-LBPRGKRZSA-N 1 2 319.792 4.226 20 5 DIBDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000595315075 1050620667 /nfs/dbraw/zinc/62/06/67/1050620667.db2.gz XCHHNHRDVSMMRV-JTQLQIEISA-N 1 2 323.393 4.000 20 5 DIBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000595315075 1050620675 /nfs/dbraw/zinc/62/06/75/1050620675.db2.gz XCHHNHRDVSMMRV-JTQLQIEISA-N 1 2 323.393 4.000 20 5 DIBDLO C[C@@H]([NH2+][C@H](CF)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000601319114 1050787515 /nfs/dbraw/zinc/78/75/15/1050787515.db2.gz XCBGACKKZKXZKY-BDJLRTHQSA-N 1 2 306.312 4.095 20 5 DIBDLO C[C@@H]([NH2+][C@H](CF)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601319078 1050788475 /nfs/dbraw/zinc/78/84/75/1050788475.db2.gz WBERPZQGGYSGMS-BDJLRTHQSA-N 1 2 306.312 4.095 20 5 DIBDLO C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000743876272 1051088600 /nfs/dbraw/zinc/08/86/00/1051088600.db2.gz YEYMZEKLBKCWOS-LRDDRELGSA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000743876272 1051088614 /nfs/dbraw/zinc/08/86/14/1051088614.db2.gz YEYMZEKLBKCWOS-LRDDRELGSA-N 1 2 318.348 4.300 20 5 DIBDLO COc1cc[nH+]cc1Nc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001215581064 1051255961 /nfs/dbraw/zinc/25/59/61/1051255961.db2.gz DLSKHQCYMOTDOV-UHFFFAOYSA-N 1 2 314.128 4.049 20 5 DIBDLO CCC[N@H+](Cc1ccccc1F)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746143430 1051326880 /nfs/dbraw/zinc/32/68/80/1051326880.db2.gz GINZADCAFHKMLK-UHFFFAOYSA-N 1 2 320.339 4.285 20 5 DIBDLO CCC[N@@H+](Cc1ccccc1F)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746143430 1051326885 /nfs/dbraw/zinc/32/68/85/1051326885.db2.gz GINZADCAFHKMLK-UHFFFAOYSA-N 1 2 320.339 4.285 20 5 DIBDLO Cc1ccc(F)c(C[N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001169820832 1051708005 /nfs/dbraw/zinc/70/80/05/1051708005.db2.gz GGIYISYGJKXVGV-UHFFFAOYSA-N 1 2 322.767 4.328 20 5 DIBDLO Cc1ccc(F)c(C[N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC001169820832 1051708021 /nfs/dbraw/zinc/70/80/21/1051708021.db2.gz GGIYISYGJKXVGV-UHFFFAOYSA-N 1 2 322.767 4.328 20 5 DIBDLO NC(=O)c1ccccc1Nc1ccc2[nH+]c3ccccc3cc2c1 ZINC001173983519 1051917654 /nfs/dbraw/zinc/91/76/54/1051917654.db2.gz CNXOOCBRUWMUOZ-UHFFFAOYSA-N 1 2 313.360 4.231 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cc(Cl)cs1)C1CC1 ZINC000495062633 1052206996 /nfs/dbraw/zinc/20/69/96/1052206996.db2.gz FNKNKLPPXGLCLU-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cc(Cl)cs1)C1CC1 ZINC000495062633 1052207002 /nfs/dbraw/zinc/20/70/02/1052207002.db2.gz FNKNKLPPXGLCLU-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000917086629 1052697398 /nfs/dbraw/zinc/69/73/98/1052697398.db2.gz GIMZEDKJNQJAMG-MRXNPFEDSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000917086629 1052697399 /nfs/dbraw/zinc/69/73/99/1052697399.db2.gz GIMZEDKJNQJAMG-MRXNPFEDSA-N 1 2 318.323 4.210 20 5 DIBDLO C[C@@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1[N+](=O)[O-] ZINC001231082496 1053670808 /nfs/dbraw/zinc/67/08/08/1053670808.db2.gz WNSCXTZKZSILOO-GFCCVEGCSA-N 1 2 309.325 4.125 20 5 DIBDLO C[C@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccccc1[N+](=O)[O-] ZINC001231082497 1053671955 /nfs/dbraw/zinc/67/19/55/1053671955.db2.gz WNSCXTZKZSILOO-LBPRGKRZSA-N 1 2 309.325 4.125 20 5 DIBDLO Cc1cc(N[C@@H]2CCc3c2cccc3[N+](=O)[O-])ccc1[NH+](C)C ZINC000848542622 1054138411 /nfs/dbraw/zinc/13/84/11/1054138411.db2.gz MLJVCXXCWIKLPX-MRXNPFEDSA-N 1 2 311.385 4.069 20 5 DIBDLO Cc1cc([N+](=O)[O-])ccc1CNc1[nH+]c2ccccc2n1C1CC1 ZINC000613104244 1054755036 /nfs/dbraw/zinc/75/50/36/1054755036.db2.gz NRSJOWSTZYSPCM-UHFFFAOYSA-N 1 2 322.368 4.200 20 5 DIBDLO O=[N+]([O-])c1ccc(Nc2ccc(NC3CCCC3)[nH+]c2)c(F)c1 ZINC001611912528 1056208817 /nfs/dbraw/zinc/20/88/17/1056208817.db2.gz RWAGMUYPRSIARM-UHFFFAOYSA-N 1 2 316.336 4.227 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cscc2Cl)C2CC2)cc1 ZINC000611254750 1057587379 /nfs/dbraw/zinc/58/73/79/1057587379.db2.gz FAYRUBGSQHDDDB-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cscc2Cl)C2CC2)cc1 ZINC000611254750 1057587382 /nfs/dbraw/zinc/58/73/82/1057587382.db2.gz FAYRUBGSQHDDDB-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC001559771836 1059606540 /nfs/dbraw/zinc/60/65/40/1059606540.db2.gz IDMDSLQFNCKRER-AWEZNQCLSA-N 1 2 318.417 4.093 20 5 DIBDLO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC001559771836 1059606548 /nfs/dbraw/zinc/60/65/48/1059606548.db2.gz IDMDSLQFNCKRER-AWEZNQCLSA-N 1 2 318.417 4.093 20 5 DIBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC001559771837 1059606950 /nfs/dbraw/zinc/60/69/50/1059606950.db2.gz IDMDSLQFNCKRER-CQSZACIVSA-N 1 2 318.417 4.093 20 5 DIBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC001559771837 1059606953 /nfs/dbraw/zinc/60/69/53/1059606953.db2.gz IDMDSLQFNCKRER-CQSZACIVSA-N 1 2 318.417 4.093 20 5 DIBDLO CC(C)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)c1ccsc1 ZINC001559919691 1059731792 /nfs/dbraw/zinc/73/17/92/1059731792.db2.gz OQRGRMVMBYWJRD-LBPRGKRZSA-N 1 2 320.414 4.334 20 5 DIBDLO CC(C)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)c1ccsc1 ZINC001559919691 1059731809 /nfs/dbraw/zinc/73/18/09/1059731809.db2.gz OQRGRMVMBYWJRD-LBPRGKRZSA-N 1 2 320.414 4.334 20 5 DIBDLO O=[N+]([O-])c1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)c(Cl)c1 ZINC001248598092 1059910184 /nfs/dbraw/zinc/91/01/84/1059910184.db2.gz GXBFROBHUBTOMA-UHFFFAOYSA-N 1 2 323.139 4.293 20 5 DIBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC001560124254 1059926535 /nfs/dbraw/zinc/92/65/35/1059926535.db2.gz RGGWRQWNRIJPLI-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC001560124254 1059926556 /nfs/dbraw/zinc/92/65/56/1059926556.db2.gz RGGWRQWNRIJPLI-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO Nc1ncc(Nc2ccc3[nH+]c4ccccc4cc3c2)cc1F ZINC001249765586 1060389060 /nfs/dbraw/zinc/38/90/60/1060389060.db2.gz IIXHDDOZNYCYGR-UHFFFAOYSA-N 1 2 304.328 4.248 20 5 DIBDLO C[C@@H]1c2sccc2CC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001473762866 1061397944 /nfs/dbraw/zinc/39/79/44/1061397944.db2.gz OKMXOEDRTCZIGV-SNVBAGLBSA-N 1 2 322.817 4.429 20 5 DIBDLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001473762866 1061397964 /nfs/dbraw/zinc/39/79/64/1061397964.db2.gz OKMXOEDRTCZIGV-SNVBAGLBSA-N 1 2 322.817 4.429 20 5 DIBDLO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccco2)C1 ZINC001459567398 1062218171 /nfs/dbraw/zinc/21/81/71/1062218171.db2.gz VEXOAMPDGCCOHY-MLGOLLRUSA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccco2)C1 ZINC001459567398 1062218188 /nfs/dbraw/zinc/21/81/88/1062218188.db2.gz VEXOAMPDGCCOHY-MLGOLLRUSA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001459605230 1062239911 /nfs/dbraw/zinc/23/99/11/1062239911.db2.gz CITCTPQZKZLODI-PXAZEXFGSA-N 1 2 316.788 4.441 20 5 DIBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC001459605230 1062239914 /nfs/dbraw/zinc/23/99/14/1062239914.db2.gz CITCTPQZKZLODI-PXAZEXFGSA-N 1 2 316.788 4.441 20 5 DIBDLO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001307524160 1065461960 /nfs/dbraw/zinc/46/19/60/1065461960.db2.gz TVNQPAXYWVDTFB-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H](c1cccc(Cl)c1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001307524160 1065461965 /nfs/dbraw/zinc/46/19/65/1065461965.db2.gz TVNQPAXYWVDTFB-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO CC(C)(C)C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC001307834691 1065646582 /nfs/dbraw/zinc/64/65/82/1065646582.db2.gz IBRTXDCCIRDLHQ-CQSZACIVSA-N 1 2 320.433 4.337 20 5 DIBDLO CC(C)(C)C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC001307834691 1065646585 /nfs/dbraw/zinc/64/65/85/1065646585.db2.gz IBRTXDCCIRDLHQ-CQSZACIVSA-N 1 2 320.433 4.337 20 5 DIBDLO CCC[N@H+](Cc1ccccc1F)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001307935024 1065688277 /nfs/dbraw/zinc/68/82/77/1065688277.db2.gz SQSHANPGTQJXBE-UHFFFAOYSA-N 1 2 320.339 4.285 20 5 DIBDLO CCC[N@@H+](Cc1ccccc1F)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001307935024 1065688280 /nfs/dbraw/zinc/68/82/80/1065688280.db2.gz SQSHANPGTQJXBE-UHFFFAOYSA-N 1 2 320.339 4.285 20 5 DIBDLO Cc1ccc(CNc2ccc(-n3cc[nH+]c3)c(C)c2)cc1[N+](=O)[O-] ZINC001308324102 1065912663 /nfs/dbraw/zinc/91/26/63/1065912663.db2.gz FXFXLKUZCVAOKO-UHFFFAOYSA-N 1 2 322.368 4.009 20 5 DIBDLO CCSCc1cc[nH+]c(NCc2cccc([N+](=O)[O-])c2C)c1 ZINC001308332370 1065919795 /nfs/dbraw/zinc/91/97/95/1065919795.db2.gz PVCCUEUQJLUYTR-UHFFFAOYSA-N 1 2 317.414 4.163 20 5 DIBDLO CC[C@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1cccc([N+](=O)[O-])c1 ZINC000285722576 131196733 /nfs/dbraw/zinc/19/67/33/131196733.db2.gz QHOYHJCIHMSCAM-BONVTDFDSA-N 1 2 321.327 4.070 20 5 DIBDLO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000296532649 131969556 /nfs/dbraw/zinc/96/95/56/131969556.db2.gz DGSKOIYHUPOWDB-NWDGAFQWSA-N 1 2 317.389 4.292 20 5 DIBDLO Cc1c(C[NH2+][C@@H](C)c2csc(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000460346056 333065920 /nfs/dbraw/zinc/06/59/20/333065920.db2.gz JDZSCTVQIXBHTK-LBPRGKRZSA-N 1 2 319.430 4.334 20 5 DIBDLO O=[N+]([O-])c1cccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)c1 ZINC000066236382 333447141 /nfs/dbraw/zinc/44/71/41/333447141.db2.gz RXSBDINNQDDSJM-GOSISDBHSA-N 1 2 308.337 4.067 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000048068902 333568932 /nfs/dbraw/zinc/56/89/32/333568932.db2.gz XUWCUTHKUSLMMJ-UHFFFAOYSA-N 1 2 311.168 4.191 20 5 DIBDLO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000266516132 333974296 /nfs/dbraw/zinc/97/42/96/333974296.db2.gz YVEWKEBOPLFNMU-AAEUAGOBSA-N 1 2 305.403 4.162 20 5 DIBDLO O=[N+]([O-])c1ccc(CNc2ccc3c(c2)CCC[NH2+]3)c(Cl)c1 ZINC000414855991 334129111 /nfs/dbraw/zinc/12/91/11/334129111.db2.gz XYSUNNPNVGIAED-UHFFFAOYSA-N 1 2 317.776 4.218 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)[C@H](Nc1ccc3c(c1)CC[NH2+]3)CCC2 ZINC000423213684 337702324 /nfs/dbraw/zinc/70/23/24/337702324.db2.gz KMBXTEYCMYSJMR-GOSISDBHSA-N 1 2 309.369 4.052 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000119249737 337856853 /nfs/dbraw/zinc/85/68/53/337856853.db2.gz DPEPMJPQDHMEKL-UHFFFAOYSA-N 1 2 322.714 4.023 20 5 DIBDLO Cc1ccoc1C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000426328595 338027269 /nfs/dbraw/zinc/02/72/69/338027269.db2.gz YOFZFOAQSCTZNA-LJQANCHMSA-N 1 2 322.364 4.375 20 5 DIBDLO CC(C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1F ZINC000429262363 338075331 /nfs/dbraw/zinc/07/53/31/338075331.db2.gz UMCOKFZJLYDPEU-UHFFFAOYSA-N 1 2 324.302 4.037 20 5 DIBDLO O=[N+]([O-])c1cccc(CNc2[nH+]cccc2-c2ccccc2)c1 ZINC000466634233 339211248 /nfs/dbraw/zinc/21/12/48/339211248.db2.gz KEVPSTRXRLLFNW-UHFFFAOYSA-N 1 2 305.337 4.269 20 5 DIBDLO C[N@H+](Cc1ccc(F)cc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000501776587 340088509 /nfs/dbraw/zinc/08/85/09/340088509.db2.gz PUADEGOMEGLEBX-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1ccc(F)cc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000501776587 340088510 /nfs/dbraw/zinc/08/85/10/340088510.db2.gz PUADEGOMEGLEBX-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO Cc1ccc([C@@H](C)[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000505848468 340179517 /nfs/dbraw/zinc/17/95/17/340179517.db2.gz SVQCHNYJLMRSOC-CYBMUJFWSA-N 1 2 302.349 4.235 20 5 DIBDLO Cc1ccc([C@@H](C)[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000505848468 340179518 /nfs/dbraw/zinc/17/95/18/340179518.db2.gz SVQCHNYJLMRSOC-CYBMUJFWSA-N 1 2 302.349 4.235 20 5 DIBDLO CC(C)CCn1cccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000507154848 340209810 /nfs/dbraw/zinc/20/98/10/340209810.db2.gz LGQLATUXBSJFIL-UHFFFAOYSA-N 1 2 315.417 4.074 20 5 DIBDLO CC(C)CCn1cccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000507154848 340209811 /nfs/dbraw/zinc/20/98/11/340209811.db2.gz LGQLATUXBSJFIL-UHFFFAOYSA-N 1 2 315.417 4.074 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cc(F)ccc1F)C1CC1 ZINC000507169842 340210980 /nfs/dbraw/zinc/21/09/80/340210980.db2.gz XTAQONOZJVRLSV-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cc(F)ccc1F)C1CC1 ZINC000507169842 340210981 /nfs/dbraw/zinc/21/09/81/340210981.db2.gz XTAQONOZJVRLSV-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO C[C@H](c1c(F)cccc1F)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000507204730 340213152 /nfs/dbraw/zinc/21/31/52/340213152.db2.gz SSQJJCOHPNYABC-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@H](c1c(F)cccc1F)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000507204730 340213153 /nfs/dbraw/zinc/21/31/53/340213153.db2.gz SSQJJCOHPNYABC-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(C(F)F)CCCCC1 ZINC000510111270 340289207 /nfs/dbraw/zinc/28/92/07/340289207.db2.gz BWAVVQUNJBMRPG-UHFFFAOYSA-N 1 2 318.751 4.306 20 5 DIBDLO Cc1ccnc(Nc2ccc(Nc3ccccc3)[nH+]c2)c1[N+](=O)[O-] ZINC000303689687 340639895 /nfs/dbraw/zinc/63/98/95/340639895.db2.gz MHBOIVAWNYMUGQ-UHFFFAOYSA-N 1 2 321.340 4.180 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccs2)C2CC2)c(Cl)c1 ZINC000542932096 341026688 /nfs/dbraw/zinc/02/66/88/341026688.db2.gz YFFFQJYHZOWVRT-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccs2)C2CC2)c(Cl)c1 ZINC000542932096 341026689 /nfs/dbraw/zinc/02/66/89/341026689.db2.gz YFFFQJYHZOWVRT-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO CC(C)[N@H+](Cc1ccccn1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000548622662 341267474 /nfs/dbraw/zinc/26/74/74/341267474.db2.gz PZVKEKOZKGMSGG-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO CC(C)[N@@H+](Cc1ccccn1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000548622662 341267475 /nfs/dbraw/zinc/26/74/75/341267475.db2.gz PZVKEKOZKGMSGG-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC000552065112 341366605 /nfs/dbraw/zinc/36/66/05/341366605.db2.gz FLFFPNMIBCWURB-FZMUQLTDSA-N 1 2 323.396 4.086 20 5 DIBDLO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC000552065112 341366606 /nfs/dbraw/zinc/36/66/06/341366606.db2.gz FLFFPNMIBCWURB-FZMUQLTDSA-N 1 2 323.396 4.086 20 5 DIBDLO Cc1cc([C@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])c(C)o1 ZINC000107904586 525520338 /nfs/dbraw/zinc/52/03/38/525520338.db2.gz CDVVMPRYZDLCLT-JTQLQIEISA-N 1 2 308.765 4.309 20 5 DIBDLO C[C@@H](c1ccccc1)[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000339028535 1038676694 /nfs/dbraw/zinc/67/66/94/1038676694.db2.gz LAXPWIBCZXIBGX-ZDUSSCGKSA-N 1 2 312.369 4.026 20 5 DIBDLO C[C@@H](c1ccccc1)[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000339028535 1038676697 /nfs/dbraw/zinc/67/66/97/1038676697.db2.gz LAXPWIBCZXIBGX-ZDUSSCGKSA-N 1 2 312.369 4.026 20 5 DIBDLO C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000178658743 1038907741 /nfs/dbraw/zinc/90/77/41/1038907741.db2.gz XNRQBFYKMUMRAS-CYBMUJFWSA-N 1 2 323.352 4.101 20 5 DIBDLO CCc1nc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cs1 ZINC000162349041 1039097549 /nfs/dbraw/zinc/09/75/49/1039097549.db2.gz MXZKVFANVTXBIG-RYUDHWBXSA-N 1 2 319.430 4.334 20 5 DIBDLO Cc1ccc([C@H](C)[NH2+][C@@H](CF)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000601317944 1039941156 /nfs/dbraw/zinc/94/11/56/1039941156.db2.gz FGDOEWURFQFOOH-LRDDRELGSA-N 1 2 320.339 4.404 20 5 DIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000601318924 1039950249 /nfs/dbraw/zinc/95/02/49/1039950249.db2.gz UITUWSYCSYSQDM-YVEFUNNKSA-N 1 2 320.339 4.404 20 5 DIBDLO CSc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000514976850 1042803393 /nfs/dbraw/zinc/80/33/93/1042803393.db2.gz FJCRKBQNCDAGDN-UHFFFAOYSA-N 1 2 308.428 4.010 20 5 DIBDLO CSc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000514976850 1042803397 /nfs/dbraw/zinc/80/33/97/1042803397.db2.gz FJCRKBQNCDAGDN-UHFFFAOYSA-N 1 2 308.428 4.010 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cs1 ZINC000054173453 1042920142 /nfs/dbraw/zinc/92/01/42/1042920142.db2.gz CMBOAMNZYYVMNI-AWEZNQCLSA-N 1 2 306.362 4.133 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cs1 ZINC000054173453 1042920143 /nfs/dbraw/zinc/92/01/43/1042920143.db2.gz CMBOAMNZYYVMNI-AWEZNQCLSA-N 1 2 306.362 4.133 20 5 DIBDLO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000266496512 1042973758 /nfs/dbraw/zinc/97/37/58/1042973758.db2.gz UIOZXHKLTGZUDJ-WDEREUQCSA-N 1 2 306.312 4.285 20 5 DIBDLO CCC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ncccc1Cl ZINC000925310685 1043409863 /nfs/dbraw/zinc/40/98/63/1043409863.db2.gz OQBREUSPUWWOFY-AWEZNQCLSA-N 1 2 319.792 4.274 20 5 DIBDLO CC[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1c(C)noc1C ZINC000872051158 1043435423 /nfs/dbraw/zinc/43/54/23/1043435423.db2.gz HRPQKNOKONJOPI-NOZJJQNGSA-N 1 2 321.352 4.141 20 5 DIBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000449352594 1045381343 /nfs/dbraw/zinc/38/13/43/1045381343.db2.gz VSILHKMZMLTVTN-LBPRGKRZSA-N 1 2 312.369 4.029 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000119135149 1045579290 /nfs/dbraw/zinc/57/92/90/1045579290.db2.gz STEXILJWYPQKCN-AWEZNQCLSA-N 1 2 306.749 4.178 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000119135149 1045579301 /nfs/dbraw/zinc/57/93/01/1045579301.db2.gz STEXILJWYPQKCN-AWEZNQCLSA-N 1 2 306.749 4.178 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000119135029 1045580084 /nfs/dbraw/zinc/58/00/84/1045580084.db2.gz STEXILJWYPQKCN-CQSZACIVSA-N 1 2 306.749 4.178 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000119135029 1045580093 /nfs/dbraw/zinc/58/00/93/1045580093.db2.gz STEXILJWYPQKCN-CQSZACIVSA-N 1 2 306.749 4.178 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451853874 1045734994 /nfs/dbraw/zinc/73/49/94/1045734994.db2.gz MITIXRICKVOZLM-CXAGYDPISA-N 1 2 312.369 4.476 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451853874 1045734999 /nfs/dbraw/zinc/73/49/99/1045734999.db2.gz MITIXRICKVOZLM-CXAGYDPISA-N 1 2 312.369 4.476 20 5 DIBDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000052075157 1046358618 /nfs/dbraw/zinc/35/86/18/1046358618.db2.gz FPUFGTBUQQDLNK-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000052075157 1046358644 /nfs/dbraw/zinc/35/86/44/1046358644.db2.gz FPUFGTBUQQDLNK-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000052075163 1046360113 /nfs/dbraw/zinc/36/01/13/1046360113.db2.gz AATBXEDGUPSOTF-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000052075163 1046360126 /nfs/dbraw/zinc/36/01/26/1046360126.db2.gz AATBXEDGUPSOTF-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000748820591 1046406512 /nfs/dbraw/zinc/40/65/12/1046406512.db2.gz VHFWYKAYFQFEPP-HNNXBMFYSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000748820591 1046406517 /nfs/dbraw/zinc/40/65/17/1046406517.db2.gz VHFWYKAYFQFEPP-HNNXBMFYSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@@H]2c2ccncc2)cs1 ZINC000121904074 1046924149 /nfs/dbraw/zinc/92/41/49/1046924149.db2.gz VFNVZKLUZYLQPM-OAHLLOKOSA-N 1 2 317.414 4.169 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)cs1 ZINC000121904074 1046924159 /nfs/dbraw/zinc/92/41/59/1046924159.db2.gz VFNVZKLUZYLQPM-OAHLLOKOSA-N 1 2 317.414 4.169 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cs1 ZINC000054271854 1047455699 /nfs/dbraw/zinc/45/56/99/1047455699.db2.gz FQXDRNUFKISQHA-CQSZACIVSA-N 1 2 306.362 4.133 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cs1 ZINC000054271854 1047455702 /nfs/dbraw/zinc/45/57/02/1047455702.db2.gz FQXDRNUFKISQHA-CQSZACIVSA-N 1 2 306.362 4.133 20 5 DIBDLO Cc1ccc(Nc2c(N)c3cccnc3c3ncccc32)c(C)[nH+]1 ZINC001203375796 1047610269 /nfs/dbraw/zinc/61/02/69/1047610269.db2.gz BXELCLVIXCZINT-UHFFFAOYSA-N 1 2 315.380 4.121 20 5 DIBDLO Cc1ccc(Nc2cc3nc4ccccc4nc3cc2N)c(C)[nH+]1 ZINC001203373773 1047844247 /nfs/dbraw/zinc/84/42/47/1047844247.db2.gz OCCSYQPKUIVHDV-UHFFFAOYSA-N 1 2 315.380 4.121 20 5 DIBDLO CCCC[N@H+](C)c1ccc(Nc2ncc([N+](=O)[O-])cc2C)cc1 ZINC001162450200 1048281001 /nfs/dbraw/zinc/28/10/01/1048281001.db2.gz ILIMCBMLVGAEFJ-UHFFFAOYSA-N 1 2 314.389 4.278 20 5 DIBDLO CCCC[N@@H+](C)c1ccc(Nc2ncc([N+](=O)[O-])cc2C)cc1 ZINC001162450200 1048281009 /nfs/dbraw/zinc/28/10/09/1048281009.db2.gz ILIMCBMLVGAEFJ-UHFFFAOYSA-N 1 2 314.389 4.278 20 5 DIBDLO COc1cccc2c1C[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C2 ZINC000600207204 1048391675 /nfs/dbraw/zinc/39/16/75/1048391675.db2.gz KNGRVWYMKFRVFR-NTEUORMPSA-N 1 2 324.380 4.023 20 5 DIBDLO COc1cccc2c1C[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C2 ZINC000600207204 1048391688 /nfs/dbraw/zinc/39/16/88/1048391688.db2.gz KNGRVWYMKFRVFR-NTEUORMPSA-N 1 2 324.380 4.023 20 5 DIBDLO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000905851920 1049266058 /nfs/dbraw/zinc/26/60/58/1049266058.db2.gz DGSKOIYHUPOWDB-VXGBXAGGSA-N 1 2 317.389 4.292 20 5 DIBDLO CC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000339066406 1049645999 /nfs/dbraw/zinc/64/59/99/1049645999.db2.gz OYJCHTVBDFIGRF-OAHLLOKOSA-N 1 2 320.776 4.195 20 5 DIBDLO C[C@@H]1c2sccc2CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001197431968 1049752643 /nfs/dbraw/zinc/75/26/43/1049752643.db2.gz MDSBLZHIYJRAKG-SNVBAGLBSA-N 1 2 322.817 4.429 20 5 DIBDLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001197431968 1049752653 /nfs/dbraw/zinc/75/26/53/1049752653.db2.gz MDSBLZHIYJRAKG-SNVBAGLBSA-N 1 2 322.817 4.429 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cc(F)ccc2F)C2CC2)cc1 ZINC000490803274 1049866171 /nfs/dbraw/zinc/86/61/71/1049866171.db2.gz QRMATVWZUIIIJY-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cc(F)ccc2F)C2CC2)cc1 ZINC000490803274 1049866180 /nfs/dbraw/zinc/86/61/80/1049866180.db2.gz QRMATVWZUIIIJY-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(c2ccccc2F)CCC1 ZINC000592144934 1050277474 /nfs/dbraw/zinc/27/74/74/1050277474.db2.gz QJGOSKBKRIRZFU-UHFFFAOYSA-N 1 2 318.323 4.042 20 5 DIBDLO CC(C)[N@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735490065 1050399585 /nfs/dbraw/zinc/39/95/85/1050399585.db2.gz BGVPYSVTHFHVCF-UHFFFAOYSA-N 1 2 308.765 4.252 20 5 DIBDLO CC(C)[N@@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735490065 1050399598 /nfs/dbraw/zinc/39/95/98/1050399598.db2.gz BGVPYSVTHFHVCF-UHFFFAOYSA-N 1 2 308.765 4.252 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC001171134109 1050463304 /nfs/dbraw/zinc/46/33/04/1050463304.db2.gz WDFWQJKUBYWZST-KRWDZBQOSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC001171134109 1050463311 /nfs/dbraw/zinc/46/33/11/1050463311.db2.gz WDFWQJKUBYWZST-KRWDZBQOSA-N 1 2 318.323 4.210 20 5 DIBDLO Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001171333358 1050953117 /nfs/dbraw/zinc/95/31/17/1050953117.db2.gz VXAVUGHDFALQNP-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1ccc2c(c1)CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001171333358 1050953123 /nfs/dbraw/zinc/95/31/23/1050953123.db2.gz VXAVUGHDFALQNP-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO CC[N@H+](C)c1ccc(Nc2c(F)ccc([N+](=O)[O-])c2F)cc1 ZINC001215302161 1051159895 /nfs/dbraw/zinc/15/98/95/1051159895.db2.gz PQAWVDWVEXLGIY-UHFFFAOYSA-N 1 2 307.300 4.073 20 5 DIBDLO CC[N@@H+](C)c1ccc(Nc2c(F)ccc([N+](=O)[O-])c2F)cc1 ZINC001215302161 1051159901 /nfs/dbraw/zinc/15/99/01/1051159901.db2.gz PQAWVDWVEXLGIY-UHFFFAOYSA-N 1 2 307.300 4.073 20 5 DIBDLO FC1(F)C[NH2+]C[C@@H](Oc2ccc3cc4ccccc4cc3c2)C1 ZINC001218280201 1052217973 /nfs/dbraw/zinc/21/79/73/1052217973.db2.gz RYSSRAROXWDTHA-SFHVURJKSA-N 1 2 313.347 4.369 20 5 DIBDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000915685720 1052468504 /nfs/dbraw/zinc/46/85/04/1052468504.db2.gz FGQYIDZCLDELOT-CQSZACIVSA-N 1 2 320.389 4.305 20 5 DIBDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000915685720 1052468507 /nfs/dbraw/zinc/46/85/07/1052468507.db2.gz FGQYIDZCLDELOT-CQSZACIVSA-N 1 2 320.389 4.305 20 5 DIBDLO C[N@H+](Cc1cccc(Cl)c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917025471 1052681516 /nfs/dbraw/zinc/68/15/16/1052681516.db2.gz XSNVRXNHYCXENQ-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917025471 1052681517 /nfs/dbraw/zinc/68/15/17/1052681517.db2.gz XSNVRXNHYCXENQ-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000179795524 1053027684 /nfs/dbraw/zinc/02/76/84/1053027684.db2.gz CHJIUQDCBUTLTQ-HNNXBMFYSA-N 1 2 324.302 4.253 20 5 DIBDLO C[C@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC001320577017 1053346780 /nfs/dbraw/zinc/34/67/80/1053346780.db2.gz QNJDWIRLYVXPRD-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H](C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC001320577017 1053346796 /nfs/dbraw/zinc/34/67/96/1053346796.db2.gz QNJDWIRLYVXPRD-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO O=[N+]([O-])c1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(Cl)c1 ZINC000182200981 1053372986 /nfs/dbraw/zinc/37/29/86/1053372986.db2.gz IDMFTRYXYAJNOR-UHFFFAOYSA-N 1 2 322.714 4.023 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@@H]1CCc3cc(Cl)ccc31)C2 ZINC001321871816 1053438222 /nfs/dbraw/zinc/43/82/22/1053438222.db2.gz YVVFROKVUVRFMW-QGZVFWFLSA-N 1 2 314.772 4.251 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1CCc3cc(Cl)ccc31)C2 ZINC001321871816 1053438228 /nfs/dbraw/zinc/43/82/28/1053438228.db2.gz YVVFROKVUVRFMW-QGZVFWFLSA-N 1 2 314.772 4.251 20 5 DIBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000184470754 1054044802 /nfs/dbraw/zinc/04/48/02/1054044802.db2.gz QUJTXOIEHWJOBL-NSHDSACASA-N 1 2 319.430 4.200 20 5 DIBDLO CC[C@@H]([NH2+]Cc1csc(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC001168741444 1057121994 /nfs/dbraw/zinc/12/19/94/1057121994.db2.gz KFGWBALXRBWVKJ-OAHLLOKOSA-N 1 2 317.414 4.170 20 5 DIBDLO Cc1nc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000611395324 1057596537 /nfs/dbraw/zinc/59/65/37/1057596537.db2.gz SMDFXUPWWVPMCZ-UWVGGRQHSA-N 1 2 305.403 4.080 20 5 DIBDLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000611395325 1057596654 /nfs/dbraw/zinc/59/66/54/1057596654.db2.gz SMDFXUPWWVPMCZ-VHSXEESVSA-N 1 2 305.403 4.080 20 5 DIBDLO Cc1cc(NC(=O)c2c3ccccc3cc3ccccc32)cc[nH+]1 ZINC001527655292 1058196552 /nfs/dbraw/zinc/19/65/52/1058196552.db2.gz JDSJDRCBVIZJQP-UHFFFAOYSA-N 1 2 312.372 4.371 20 5 DIBDLO Cc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001559925708 1059739958 /nfs/dbraw/zinc/73/99/58/1059739958.db2.gz ZVVGSURJBRGDFG-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001559925708 1059739985 /nfs/dbraw/zinc/73/99/85/1059739985.db2.gz ZVVGSURJBRGDFG-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO C[C@@H](c1ccccc1Cl)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001473218692 1060998234 /nfs/dbraw/zinc/99/82/34/1060998234.db2.gz VTFIHXPIWXCVBC-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H](c1ccccc1Cl)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001473218692 1060998260 /nfs/dbraw/zinc/99/82/60/1060998260.db2.gz VTFIHXPIWXCVBC-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001459718671 1062333536 /nfs/dbraw/zinc/33/35/36/1062333536.db2.gz DOSDJOMNFJBYPX-HNNXBMFYSA-N 1 2 306.406 4.091 20 5 DIBDLO CC(C)CC[C@@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001459718671 1062333557 /nfs/dbraw/zinc/33/35/57/1062333557.db2.gz DOSDJOMNFJBYPX-HNNXBMFYSA-N 1 2 306.406 4.091 20 5 DIBDLO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC001459903075 1062487432 /nfs/dbraw/zinc/48/74/32/1062487432.db2.gz KYPSJMBSZFXIGR-VIFPVBQESA-N 1 2 319.411 4.117 20 5 DIBDLO CC(C)CC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001307523292 1065461361 /nfs/dbraw/zinc/46/13/61/1065461361.db2.gz IPHMPCMUKIIVRH-UHFFFAOYSA-N 1 2 312.360 4.131 20 5 DIBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(C2CCCCC2)CC1 ZINC001307903750 1065675311 /nfs/dbraw/zinc/67/53/11/1065675311.db2.gz FJBINRNWZJMIDU-UHFFFAOYSA-N 1 2 318.417 4.093 20 5 DIBDLO C[C@@H]([NH2+][C@@H](C)c1cccnc1Cl)c1ccccc1[N+](=O)[O-] ZINC000271862170 129973507 /nfs/dbraw/zinc/97/35/07/129973507.db2.gz ZTGYRSAGXHFINN-MNOVXSKESA-N 1 2 305.765 4.055 20 5 DIBDLO Cc1cc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc(C2CC2)[nH+]1 ZINC000487670555 435628114 /nfs/dbraw/zinc/62/81/14/435628114.db2.gz XLXQFZKBDNMROZ-LBPRGKRZSA-N 1 2 312.373 4.052 20 5 DIBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000182638753 333043771 /nfs/dbraw/zinc/04/37/71/333043771.db2.gz JXLLZRYQPAUDBC-LLVKDONJSA-N 1 2 314.316 4.331 20 5 DIBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CCCC(F)(F)C3)c2c1 ZINC000413204013 333837007 /nfs/dbraw/zinc/83/70/07/333837007.db2.gz WIIMPUBCIMRSDW-NSHDSACASA-N 1 2 307.300 4.133 20 5 DIBDLO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1ccccc1[N+](=O)[O-] ZINC000279099781 334105366 /nfs/dbraw/zinc/10/53/66/334105366.db2.gz JEICLWKSCPPTQM-LLVKDONJSA-N 1 2 319.430 4.200 20 5 DIBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2c2ccsc2)c(F)c1 ZINC000351857205 336073982 /nfs/dbraw/zinc/07/39/82/336073982.db2.gz MAVORAFOEKHMDA-HNNXBMFYSA-N 1 2 324.352 4.272 20 5 DIBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]2c2ccsc2)c(F)c1 ZINC000351857205 336073983 /nfs/dbraw/zinc/07/39/83/336073983.db2.gz MAVORAFOEKHMDA-HNNXBMFYSA-N 1 2 324.352 4.272 20 5 DIBDLO CCc1nc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cs1 ZINC000064350025 336237021 /nfs/dbraw/zinc/23/70/21/336237021.db2.gz IDHJAWBPZXXBJK-UHFFFAOYSA-N 1 2 319.430 4.024 20 5 DIBDLO CCc1nc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cs1 ZINC000064350025 336237022 /nfs/dbraw/zinc/23/70/22/336237022.db2.gz IDHJAWBPZXXBJK-UHFFFAOYSA-N 1 2 319.430 4.024 20 5 DIBDLO CC[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000301602647 336317771 /nfs/dbraw/zinc/31/77/71/336317771.db2.gz WKVHQCUEIOEAKI-HNNXBMFYSA-N 1 2 314.389 4.380 20 5 DIBDLO Cc1cc(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000301624471 336318999 /nfs/dbraw/zinc/31/89/99/336318999.db2.gz AIOLVMDCOYUJGV-CYBMUJFWSA-N 1 2 314.389 4.298 20 5 DIBDLO Cc1cc([N+](=O)[O-])cnc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC000301933851 336338729 /nfs/dbraw/zinc/33/87/29/336338729.db2.gz RAMYJMISADEDJW-UHFFFAOYSA-N 1 2 312.373 4.032 20 5 DIBDLO Cc1c(CNc2[nH+]ccc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000357853086 336601558 /nfs/dbraw/zinc/60/15/58/336601558.db2.gz HOMFMOYDZQFEBK-UHFFFAOYSA-N 1 2 311.316 4.203 20 5 DIBDLO Cc1ccc([N+](=O)[O-])c(Nc2cccc(Oc3cc[nH+]cc3)c2)n1 ZINC000360875927 336725227 /nfs/dbraw/zinc/72/52/27/336725227.db2.gz ZXZVZCIBIQMQAC-UHFFFAOYSA-N 1 2 322.324 4.229 20 5 DIBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000173976162 337138053 /nfs/dbraw/zinc/13/80/53/337138053.db2.gz CMZSXOGNWIKQTP-ZDUSSCGKSA-N 1 2 323.352 4.101 20 5 DIBDLO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182377620 337188212 /nfs/dbraw/zinc/18/82/12/337188212.db2.gz DRVFXYCMOMMELA-MRXNPFEDSA-N 1 2 319.792 4.226 20 5 DIBDLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182377620 337188213 /nfs/dbraw/zinc/18/82/13/337188213.db2.gz DRVFXYCMOMMELA-MRXNPFEDSA-N 1 2 319.792 4.226 20 5 DIBDLO COC[C@@H](C)Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000463047308 339103074 /nfs/dbraw/zinc/10/30/74/339103074.db2.gz GFYOOTTVPYIAEW-GFCCVEGCSA-N 1 2 323.421 4.163 20 5 DIBDLO C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000464724168 339150025 /nfs/dbraw/zinc/15/00/25/339150025.db2.gz FHMCGMINRYPYRK-IAQYHMDHSA-N 1 2 320.389 4.379 20 5 DIBDLO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000464724168 339150026 /nfs/dbraw/zinc/15/00/26/339150026.db2.gz FHMCGMINRYPYRK-IAQYHMDHSA-N 1 2 320.389 4.379 20 5 DIBDLO CC(C)[N@H+](Cc1ccc(F)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505791492 340178212 /nfs/dbraw/zinc/17/82/12/340178212.db2.gz VULDZHRNDRLZLP-UHFFFAOYSA-N 1 2 320.339 4.284 20 5 DIBDLO CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505791492 340178213 /nfs/dbraw/zinc/17/82/13/340178213.db2.gz VULDZHRNDRLZLP-UHFFFAOYSA-N 1 2 320.339 4.284 20 5 DIBDLO C[C@H](c1cccs1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509292842 340265531 /nfs/dbraw/zinc/26/55/31/340265531.db2.gz BXWYKVFSITXSRZ-SECBINFHSA-N 1 2 312.341 4.128 20 5 DIBDLO C[C@H](c1cccs1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509292842 340265532 /nfs/dbraw/zinc/26/55/32/340265532.db2.gz BXWYKVFSITXSRZ-SECBINFHSA-N 1 2 312.341 4.128 20 5 DIBDLO CC(C)C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccs1 ZINC000549545606 341297099 /nfs/dbraw/zinc/29/70/99/341297099.db2.gz ZMZVDTQDDDWHHA-CQSZACIVSA-N 1 2 320.414 4.239 20 5 DIBDLO CC(F)(F)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000549866548 341305429 /nfs/dbraw/zinc/30/54/29/341305429.db2.gz PUCKLUVFVRTVIE-UHFFFAOYSA-N 1 2 312.341 4.068 20 5 DIBDLO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC000552065113 341366706 /nfs/dbraw/zinc/36/67/06/341366706.db2.gz FLFFPNMIBCWURB-LZCIBIBXSA-N 1 2 323.396 4.086 20 5 DIBDLO CC1(C)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC000552065113 341366707 /nfs/dbraw/zinc/36/67/07/341366707.db2.gz FLFFPNMIBCWURB-LZCIBIBXSA-N 1 2 323.396 4.086 20 5 DIBDLO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1c(F)cccc1F ZINC000552120133 341371003 /nfs/dbraw/zinc/37/10/03/341371003.db2.gz UXYMULHSLXGGJX-ALCCZGGFSA-N 1 2 318.323 4.018 20 5 DIBDLO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1c(F)cccc1F ZINC000552120133 341371004 /nfs/dbraw/zinc/37/10/04/341371004.db2.gz UXYMULHSLXGGJX-ALCCZGGFSA-N 1 2 318.323 4.018 20 5 DIBDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610216361 1035757195 /nfs/dbraw/zinc/75/71/95/1035757195.db2.gz WCIPYACVBRAQIN-LBPRGKRZSA-N 1 2 316.788 4.195 20 5 DIBDLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610216361 1035757210 /nfs/dbraw/zinc/75/72/10/1035757210.db2.gz WCIPYACVBRAQIN-LBPRGKRZSA-N 1 2 316.788 4.195 20 5 DIBDLO CCc1ccc(C[N@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000603934176 1038330443 /nfs/dbraw/zinc/33/04/43/1038330443.db2.gz JDOZRNOUKHDSOT-UHFFFAOYSA-N 1 2 316.426 4.383 20 5 DIBDLO CCc1ccc(C[N@@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000603934176 1038330447 /nfs/dbraw/zinc/33/04/47/1038330447.db2.gz JDOZRNOUKHDSOT-UHFFFAOYSA-N 1 2 316.426 4.383 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+](Cc2ccc(Cl)cc2)C2CC2)cs1 ZINC000603934190 1038330706 /nfs/dbraw/zinc/33/07/06/1038330706.db2.gz NDOZFWUUCNXBAK-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)cs1 ZINC000603934190 1038330719 /nfs/dbraw/zinc/33/07/19/1038330719.db2.gz NDOZFWUUCNXBAK-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO Cc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000693858622 1039562001 /nfs/dbraw/zinc/56/20/01/1039562001.db2.gz YMFKEIXFJWBWOO-UHFFFAOYSA-N 1 2 310.806 4.250 20 5 DIBDLO Cc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000693858622 1039562019 /nfs/dbraw/zinc/56/20/19/1039562019.db2.gz YMFKEIXFJWBWOO-UHFFFAOYSA-N 1 2 310.806 4.250 20 5 DIBDLO CC[N@H+](Cc1ccc(C)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609144589 1039788099 /nfs/dbraw/zinc/78/80/99/1039788099.db2.gz BIUJETVVSZQVID-UHFFFAOYSA-N 1 2 302.349 4.064 20 5 DIBDLO CC[N@@H+](Cc1ccc(C)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000609144589 1039788120 /nfs/dbraw/zinc/78/81/20/1039788120.db2.gz BIUJETVVSZQVID-UHFFFAOYSA-N 1 2 302.349 4.064 20 5 DIBDLO O=[N+]([O-])c1cccc([C@H]([NH2+]Cc2ccco2)c2ccccc2)c1 ZINC000179970376 1040657844 /nfs/dbraw/zinc/65/78/44/1040657844.db2.gz YFDXRFBKNJBNMM-GOSISDBHSA-N 1 2 308.337 4.067 20 5 DIBDLO Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000515541928 1042826630 /nfs/dbraw/zinc/82/66/30/1042826630.db2.gz CJDSIGJIFQFFPS-UHFFFAOYSA-N 1 2 312.373 4.032 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000441436730 1043099775 /nfs/dbraw/zinc/09/97/75/1043099775.db2.gz GBEHUSHTOKDQLI-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2c(Cl)cccc2C1 ZINC000441436730 1043099784 /nfs/dbraw/zinc/09/97/84/1043099784.db2.gz GBEHUSHTOKDQLI-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000872016670 1043418658 /nfs/dbraw/zinc/41/86/58/1043418658.db2.gz MKJFZWRINZADIK-NXEZZACHSA-N 1 2 324.302 4.424 20 5 DIBDLO Cc1cccc(F)c1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037883 1043431713 /nfs/dbraw/zinc/43/17/13/1043431713.db2.gz GHXVDDKMTOXVCR-LLVKDONJSA-N 1 2 306.312 4.032 20 5 DIBDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783514647 1043614545 /nfs/dbraw/zinc/61/45/45/1043614545.db2.gz QZOFCINMPBJTNY-SNVBAGLBSA-N 1 2 322.817 4.429 20 5 DIBDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783514647 1043614552 /nfs/dbraw/zinc/61/45/52/1043614552.db2.gz QZOFCINMPBJTNY-SNVBAGLBSA-N 1 2 322.817 4.429 20 5 DIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1ccc([NH+](C)C)c(C)c1 ZINC000777642712 1043726097 /nfs/dbraw/zinc/72/60/97/1043726097.db2.gz BVIDUIQMHBJSPK-AWEZNQCLSA-N 1 2 313.401 4.451 20 5 DIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1ccc([NH+](C)C)c(C)c1 ZINC000777642713 1043726670 /nfs/dbraw/zinc/72/66/70/1043726670.db2.gz BVIDUIQMHBJSPK-CQSZACIVSA-N 1 2 313.401 4.451 20 5 DIBDLO Cc1cc([NH+]2CCCC2)ccc1Nc1c(F)cccc1[N+](=O)[O-] ZINC001649174944 1043807037 /nfs/dbraw/zinc/80/70/37/1043807037.db2.gz YCTDLXZJBSKECK-UHFFFAOYSA-N 1 2 315.348 4.386 20 5 DIBDLO Cc1ccc(F)c(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1F ZINC000930236510 1043901135 /nfs/dbraw/zinc/90/11/35/1043901135.db2.gz XJBNWJBJFTXCSD-NSHDSACASA-N 1 2 306.312 4.032 20 5 DIBDLO Cc1ccc(F)c(C[N@@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000444728848 1044610612 /nfs/dbraw/zinc/61/06/12/1044610612.db2.gz CFYXCKJRWHRRPB-ZDUSSCGKSA-N 1 2 302.349 4.235 20 5 DIBDLO Cc1ccc(F)c(C[N@H+](C)[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000444728848 1044610619 /nfs/dbraw/zinc/61/06/19/1044610619.db2.gz CFYXCKJRWHRRPB-ZDUSSCGKSA-N 1 2 302.349 4.235 20 5 DIBDLO CC(C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000886901308 1044716123 /nfs/dbraw/zinc/71/61/23/1044716123.db2.gz WOXPJHFQLJTKNC-UHFFFAOYSA-N 1 2 324.302 4.037 20 5 DIBDLO C[N@H+](Cc1cc(F)cc(Cl)c1)Cc1ccccc1[N+](=O)[O-] ZINC000485702863 1045237187 /nfs/dbraw/zinc/23/71/87/1045237187.db2.gz FFHFHCIQWXJROW-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1cc(F)cc(Cl)c1)Cc1ccccc1[N+](=O)[O-] ZINC000485702863 1045237198 /nfs/dbraw/zinc/23/71/98/1045237198.db2.gz FFHFHCIQWXJROW-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO Cc1cc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)oc1C ZINC000800482437 1045624875 /nfs/dbraw/zinc/62/48/75/1045624875.db2.gz SWMIXOFRWBXHDS-SNVBAGLBSA-N 1 2 308.765 4.309 20 5 DIBDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000748819939 1046406956 /nfs/dbraw/zinc/40/69/56/1046406956.db2.gz RDZWQHGGGMKHAL-YGRLFVJLSA-N 1 2 320.776 4.254 20 5 DIBDLO COc1cccc(F)c1[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000537158540 1047143252 /nfs/dbraw/zinc/14/32/52/1047143252.db2.gz GLRWMXINXALPDY-VXGBXAGGSA-N 1 2 318.348 4.154 20 5 DIBDLO COc1cccc(F)c1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000537158538 1047143421 /nfs/dbraw/zinc/14/34/21/1047143421.db2.gz GLRWMXINXALPDY-NWDGAFQWSA-N 1 2 318.348 4.154 20 5 DIBDLO COc1ccc(Nc2c(C)cc[nH+]c2C(C)C)cc1[N+](=O)[O-] ZINC001176362845 1048660675 /nfs/dbraw/zinc/66/06/75/1048660675.db2.gz HMYZCLMMXWJROM-UHFFFAOYSA-N 1 2 301.346 4.174 20 5 DIBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cc(Cl)ccc1F ZINC001192566328 1049116916 /nfs/dbraw/zinc/11/69/16/1049116916.db2.gz RNQFQMNSCRVUQV-MRVPVSSYSA-N 1 2 314.769 4.300 20 5 DIBDLO CCc1nc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000173408747 1049399411 /nfs/dbraw/zinc/39/94/11/1049399411.db2.gz NRGBVLIOIVMZLG-QWRGUYRKSA-N 1 2 305.403 4.026 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000491081207 1049881421 /nfs/dbraw/zinc/88/14/21/1049881421.db2.gz BMCXWOZEMYQDFH-QGZVFWFLSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000491081207 1049881425 /nfs/dbraw/zinc/88/14/25/1049881425.db2.gz BMCXWOZEMYQDFH-QGZVFWFLSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c(F)c1 ZINC000491167253 1049889181 /nfs/dbraw/zinc/88/91/81/1049889181.db2.gz LUPRTSITTBKELM-KRWDZBQOSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c(F)c1 ZINC000491167253 1049889186 /nfs/dbraw/zinc/88/91/86/1049889186.db2.gz LUPRTSITTBKELM-KRWDZBQOSA-N 1 2 318.323 4.210 20 5 DIBDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000491181434 1049889816 /nfs/dbraw/zinc/88/98/16/1049889816.db2.gz DLTRZNVXPKCKNI-JTQLQIEISA-N 1 2 324.302 4.205 20 5 DIBDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000491181434 1049889821 /nfs/dbraw/zinc/88/98/21/1049889821.db2.gz DLTRZNVXPKCKNI-JTQLQIEISA-N 1 2 324.302 4.205 20 5 DIBDLO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734838030 1050325315 /nfs/dbraw/zinc/32/53/15/1050325315.db2.gz LQPKNXWKKBLNTH-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734838030 1050325318 /nfs/dbraw/zinc/32/53/18/1050325318.db2.gz LQPKNXWKKBLNTH-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO Cc1cccc2c1CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000735491748 1050403419 /nfs/dbraw/zinc/40/34/19/1050403419.db2.gz KHLBDLAKAARYMN-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1cccc2c1CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000735491748 1050403429 /nfs/dbraw/zinc/40/34/29/1050403429.db2.gz KHLBDLAKAARYMN-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO COc1ccc2[nH+]c(C)cc(OCc3ccccc3[N+](=O)[O-])c2c1 ZINC000594669518 1050540337 /nfs/dbraw/zinc/54/03/37/1050540337.db2.gz DSEGKHGWMDXPMN-UHFFFAOYSA-N 1 2 324.336 4.039 20 5 DIBDLO C[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601319080 1050788356 /nfs/dbraw/zinc/78/83/56/1050788356.db2.gz WBERPZQGGYSGMS-MEDUHNTESA-N 1 2 306.312 4.095 20 5 DIBDLO C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000743876271 1051089204 /nfs/dbraw/zinc/08/92/04/1051089204.db2.gz YEYMZEKLBKCWOS-BLLLJJGKSA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000743876271 1051089213 /nfs/dbraw/zinc/08/92/13/1051089213.db2.gz YEYMZEKLBKCWOS-BLLLJJGKSA-N 1 2 318.348 4.300 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)cc1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000804466927 1051423128 /nfs/dbraw/zinc/42/31/28/1051423128.db2.gz RSLKEOLWIOOSII-UHFFFAOYSA-N 1 2 315.716 4.226 20 5 DIBDLO O=C(OCCn1cc[nH+]c1)c1c2ccccc2cc2ccccc21 ZINC000763117104 1052502744 /nfs/dbraw/zinc/50/27/44/1052502744.db2.gz VACKFNPVBNPKEG-UHFFFAOYSA-N 1 2 316.360 4.047 20 5 DIBDLO c1cn2c(n1)C[N@H+](Cc1c3ccccc3cc3ccccc31)CC2 ZINC000769257467 1053180052 /nfs/dbraw/zinc/18/00/52/1053180052.db2.gz GNZXAQLBIRIETB-UHFFFAOYSA-N 1 2 313.404 4.205 20 5 DIBDLO c1cn2c(n1)C[N@@H+](Cc1c3ccccc3cc3ccccc31)CC2 ZINC000769257467 1053180059 /nfs/dbraw/zinc/18/00/59/1053180059.db2.gz GNZXAQLBIRIETB-UHFFFAOYSA-N 1 2 313.404 4.205 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc3ccccc3c1)C2 ZINC001318785456 1053192943 /nfs/dbraw/zinc/19/29/43/1053192943.db2.gz WAUWUXGGOIVJSU-UHFFFAOYSA-N 1 2 304.349 4.264 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc3ccccc3c1)C2 ZINC001318785456 1053192952 /nfs/dbraw/zinc/19/29/52/1053192952.db2.gz WAUWUXGGOIVJSU-UHFFFAOYSA-N 1 2 304.349 4.264 20 5 DIBDLO C[C@@H](C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC001320577020 1053345736 /nfs/dbraw/zinc/34/57/36/1053345736.db2.gz QNJDWIRLYVXPRD-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H](C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(Cl)c1 ZINC001320577020 1053345749 /nfs/dbraw/zinc/34/57/49/1053345749.db2.gz QNJDWIRLYVXPRD-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO O=[N+]([O-])c1ccc(SCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001320687156 1053355910 /nfs/dbraw/zinc/35/59/10/1053355910.db2.gz OOGLABHYZRQUNI-UHFFFAOYSA-N 1 2 311.366 4.073 20 5 DIBDLO CC[C@@H](Nc1cc(C)[nH+]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000487666244 1054411502 /nfs/dbraw/zinc/41/15/02/1054411502.db2.gz WRZAOCZAGYOPJB-OAHLLOKOSA-N 1 2 312.373 4.134 20 5 DIBDLO CCOC(=[NH2+])c1ccc(O[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC001234588702 1054551247 /nfs/dbraw/zinc/55/12/47/1054551247.db2.gz QFZQEWOXTHIYAE-LBPRGKRZSA-N 1 2 314.341 4.097 20 5 DIBDLO Cc1ccc(CNc2[nH+]c3ccccc3n2C2CC2)cc1[N+](=O)[O-] ZINC000613104249 1054755275 /nfs/dbraw/zinc/75/52/75/1054755275.db2.gz PRUNDBGETXUTDQ-UHFFFAOYSA-N 1 2 322.368 4.200 20 5 DIBDLO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccccc3F)CC2)c(Cl)c1 ZINC000182437592 1054986882 /nfs/dbraw/zinc/98/68/82/1054986882.db2.gz FKNZVJOVVOLPOG-UHFFFAOYSA-N 1 2 320.751 4.166 20 5 DIBDLO CCN(CC)c1ccc(Nc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC001611805967 1056194034 /nfs/dbraw/zinc/19/40/34/1056194034.db2.gz KLQLTYWRVDAWPN-UHFFFAOYSA-N 1 2 320.780 4.233 20 5 DIBDLO Cc1ccc(C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC001615187456 1056471829 /nfs/dbraw/zinc/47/18/29/1056471829.db2.gz HVEKGSGLVOJOPB-LBPRGKRZSA-N 1 2 320.339 4.374 20 5 DIBDLO Cc1ccc(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC001615187456 1056471834 /nfs/dbraw/zinc/47/18/34/1056471834.db2.gz HVEKGSGLVOJOPB-LBPRGKRZSA-N 1 2 320.339 4.374 20 5 DIBDLO C[C@H]([NH2+]Cc1ncc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1 ZINC000173393698 1057300262 /nfs/dbraw/zinc/30/02/62/1057300262.db2.gz KCQCEARFPMNFNK-ZDUSSCGKSA-N 1 2 323.352 4.101 20 5 DIBDLO Cc1ccc(C[N@@H+]2CCc3cccc(F)c3[C@H]2C)cc1[N+](=O)[O-] ZINC001559558396 1059377604 /nfs/dbraw/zinc/37/76/04/1059377604.db2.gz VWNQWPAQXDSCBV-CYBMUJFWSA-N 1 2 314.360 4.162 20 5 DIBDLO Cc1ccc(C[N@H+]2CCc3cccc(F)c3[C@H]2C)cc1[N+](=O)[O-] ZINC001559558396 1059377627 /nfs/dbraw/zinc/37/76/27/1059377627.db2.gz VWNQWPAQXDSCBV-CYBMUJFWSA-N 1 2 314.360 4.162 20 5 DIBDLO COc1ccc(Nc2ccc3c(C)cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC001248478308 1059850348 /nfs/dbraw/zinc/85/03/48/1059850348.db2.gz OAPSUMBEKATXFU-UHFFFAOYSA-N 1 2 309.325 4.204 20 5 DIBDLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC001462414949 1061158177 /nfs/dbraw/zinc/15/81/77/1061158177.db2.gz CVLMPDKOUGHPLS-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1ccc2c(c1)C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC2 ZINC001462414949 1061158184 /nfs/dbraw/zinc/15/81/84/1061158184.db2.gz CVLMPDKOUGHPLS-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC001473940018 1061484860 /nfs/dbraw/zinc/48/48/60/1061484860.db2.gz KVVNNOGKNPKVME-CYBMUJFWSA-N 1 2 323.352 4.101 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc(CC3CCC3)c1)C2 ZINC001474346656 1061950934 /nfs/dbraw/zinc/95/09/34/1061950934.db2.gz FIITWMKAYXMGMS-UHFFFAOYSA-N 1 2 322.408 4.453 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cccc(CC3CCC3)c1)C2 ZINC001474346656 1061950960 /nfs/dbraw/zinc/95/09/60/1061950960.db2.gz FIITWMKAYXMGMS-UHFFFAOYSA-N 1 2 322.408 4.453 20 5 DIBDLO CC(C)(C)[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001459747477 1062358740 /nfs/dbraw/zinc/35/87/40/1062358740.db2.gz NQKZPRLLNRSPFZ-UHFFFAOYSA-N 1 2 314.385 4.101 20 5 DIBDLO CC(C)(C)[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001459747477 1062358765 /nfs/dbraw/zinc/35/87/65/1062358765.db2.gz NQKZPRLLNRSPFZ-UHFFFAOYSA-N 1 2 314.385 4.101 20 5 DIBDLO CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCCCC1 ZINC001307427333 1065389421 /nfs/dbraw/zinc/38/94/21/1065389421.db2.gz NGDFVEKQPNPATN-UHFFFAOYSA-N 1 2 306.406 4.093 20 5 DIBDLO CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCCCC1 ZINC001307427333 1065389429 /nfs/dbraw/zinc/38/94/29/1065389429.db2.gz NGDFVEKQPNPATN-UHFFFAOYSA-N 1 2 306.406 4.093 20 5 DIBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC001307514534 1065453207 /nfs/dbraw/zinc/45/32/07/1065453207.db2.gz SDTPNUXIQFLZLW-PXAZEXFGSA-N 1 2 316.788 4.441 20 5 DIBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 ZINC001307514534 1065453212 /nfs/dbraw/zinc/45/32/12/1065453212.db2.gz SDTPNUXIQFLZLW-PXAZEXFGSA-N 1 2 316.788 4.441 20 5 DIBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC001307514539 1065454188 /nfs/dbraw/zinc/45/41/88/1065454188.db2.gz SDTPNUXIQFLZLW-YVEFUNNKSA-N 1 2 316.788 4.441 20 5 DIBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC001307514539 1065454194 /nfs/dbraw/zinc/45/41/94/1065454194.db2.gz SDTPNUXIQFLZLW-YVEFUNNKSA-N 1 2 316.788 4.441 20 5 DIBDLO CCC[N@H+](Cc1ccccc1F)Cc1ccc([N+](=O)[O-])cc1F ZINC001307934225 1065688080 /nfs/dbraw/zinc/68/80/80/1065688080.db2.gz MWWZBWAYHPMTQP-UHFFFAOYSA-N 1 2 320.339 4.285 20 5 DIBDLO CCC[N@@H+](Cc1ccccc1F)Cc1ccc([N+](=O)[O-])cc1F ZINC001307934225 1065688088 /nfs/dbraw/zinc/68/80/88/1065688088.db2.gz MWWZBWAYHPMTQP-UHFFFAOYSA-N 1 2 320.339 4.285 20 5 DIBDLO CC(C)Oc1ccc[nH+]c1NCc1ccc([N+](=O)[O-])cc1Cl ZINC001308693358 1066183755 /nfs/dbraw/zinc/18/37/55/1066183755.db2.gz CFWLSZYDVLVGDT-UHFFFAOYSA-N 1 2 321.764 4.043 20 5 DIBDLO COc1cc(OCc2ccc(C(C)C)[nH+]c2C)ccc1[N+](=O)[O-] ZINC000558853251 331952431 /nfs/dbraw/zinc/95/24/31/331952431.db2.gz JHBYQRIKIQKPPM-UHFFFAOYSA-N 1 2 316.357 4.009 20 5 DIBDLO Cc1[nH]c2ccc(COc3ccc([N+](=O)[O-])cc3Cl)cc2[nH+]1 ZINC000460428907 333085058 /nfs/dbraw/zinc/08/50/58/333085058.db2.gz ANNRHAZWJCITCF-UHFFFAOYSA-N 1 2 317.732 4.012 20 5 DIBDLO Cc1[nH]c2cc(COc3ccc([N+](=O)[O-])cc3Cl)ccc2[nH+]1 ZINC000460428907 333085060 /nfs/dbraw/zinc/08/50/60/333085060.db2.gz ANNRHAZWJCITCF-UHFFFAOYSA-N 1 2 317.732 4.012 20 5 DIBDLO Cc1cc(Nc2ccc([NH+]3CCCCC3)cc2)ncc1[N+](=O)[O-] ZINC000301415317 336305215 /nfs/dbraw/zinc/30/52/15/336305215.db2.gz DWWRMWGHFVQXTE-UHFFFAOYSA-N 1 2 312.373 4.032 20 5 DIBDLO Cc1cc(Nc2cccc(Oc3cc[nH+]cc3)c2)ncc1[N+](=O)[O-] ZINC000301432374 336306497 /nfs/dbraw/zinc/30/64/97/336306497.db2.gz KKLRIXHJKOMEBW-UHFFFAOYSA-N 1 2 322.324 4.229 20 5 DIBDLO CC[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000301510008 336311451 /nfs/dbraw/zinc/31/14/51/336311451.db2.gz DWGFBOKSWWHNJQ-AWEZNQCLSA-N 1 2 314.389 4.246 20 5 DIBDLO Cc1nc(Nc2ccc([NH+]3CCCCC3)cc2)ccc1[N+](=O)[O-] ZINC000301629973 336319324 /nfs/dbraw/zinc/31/93/24/336319324.db2.gz IPUWNANTAAYMSW-UHFFFAOYSA-N 1 2 312.373 4.032 20 5 DIBDLO Cc1cc(NCc2ccccc2[N+](=O)[O-])c2cccc(F)c2[nH+]1 ZINC000301695010 336324076 /nfs/dbraw/zinc/32/40/76/336324076.db2.gz YILBGWFDVUXKOJ-UHFFFAOYSA-N 1 2 311.316 4.203 20 5 DIBDLO COc1cccc2c(NCc3cccc([N+](=O)[O-])c3C)cc[nH+]c12 ZINC000302656691 336363692 /nfs/dbraw/zinc/36/36/92/336363692.db2.gz DATFQCIYCITLMI-UHFFFAOYSA-N 1 2 323.352 4.072 20 5 DIBDLO O=[N+]([O-])c1cc(Cl)ccc1Oc1cccc(-n2cc[nH+]c2)c1 ZINC000302749618 336367750 /nfs/dbraw/zinc/36/77/50/336367750.db2.gz GMIZQXKZFAXRIJ-UHFFFAOYSA-N 1 2 315.716 4.226 20 5 DIBDLO CC1(C)C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)c2cc([N+](=O)[O-])ccc21 ZINC000423220575 337705240 /nfs/dbraw/zinc/70/52/40/337705240.db2.gz VRPISPLEQZFATR-GOSISDBHSA-N 1 2 323.396 4.397 20 5 DIBDLO COc1cccc(F)c1[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000537158539 337902376 /nfs/dbraw/zinc/90/23/76/337902376.db2.gz GLRWMXINXALPDY-RYUDHWBXSA-N 1 2 318.348 4.154 20 5 DIBDLO O=[N+]([O-])c1ccc(CNc2ccc(-c3ccccc3)c[nH+]2)c(F)c1 ZINC000466622503 339210738 /nfs/dbraw/zinc/21/07/38/339210738.db2.gz YWXYGKIIYGMEHB-UHFFFAOYSA-N 1 2 323.327 4.408 20 5 DIBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470958953 339333056 /nfs/dbraw/zinc/33/30/56/339333056.db2.gz MCZIEQYPYRSGPB-KWQFWETISA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470958953 339333057 /nfs/dbraw/zinc/33/30/57/339333057.db2.gz MCZIEQYPYRSGPB-KWQFWETISA-N 1 2 322.714 4.021 20 5 DIBDLO CSc1ccccc1C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000471006827 339333931 /nfs/dbraw/zinc/33/39/31/339333931.db2.gz KWRAKXALLVCMMG-UHFFFAOYSA-N 1 2 320.389 4.088 20 5 DIBDLO CSc1ccccc1C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000471006827 339333932 /nfs/dbraw/zinc/33/39/32/339333932.db2.gz KWRAKXALLVCMMG-UHFFFAOYSA-N 1 2 320.389 4.088 20 5 DIBDLO C[C@H](c1ccccc1Cl)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000501773902 340088376 /nfs/dbraw/zinc/08/83/76/340088376.db2.gz GCRAPUZUFTZWMU-GFCCVEGCSA-N 1 2 304.777 4.441 20 5 DIBDLO C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000501773902 340088377 /nfs/dbraw/zinc/08/83/77/340088377.db2.gz GCRAPUZUFTZWMU-GFCCVEGCSA-N 1 2 304.777 4.441 20 5 DIBDLO Cc1ccccc1C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000505795106 340178178 /nfs/dbraw/zinc/17/81/78/340178178.db2.gz HATPECIEHMYQJO-UHFFFAOYSA-N 1 2 314.360 4.207 20 5 DIBDLO Cc1ccccc1C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000505795106 340178179 /nfs/dbraw/zinc/17/81/79/340178179.db2.gz HATPECIEHMYQJO-UHFFFAOYSA-N 1 2 314.360 4.207 20 5 DIBDLO C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000506185660 340187906 /nfs/dbraw/zinc/18/79/06/340187906.db2.gz ASBXAYJRFQVMTN-NSHDSACASA-N 1 2 320.776 4.147 20 5 DIBDLO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000506185660 340187907 /nfs/dbraw/zinc/18/79/07/340187907.db2.gz ASBXAYJRFQVMTN-NSHDSACASA-N 1 2 320.776 4.147 20 5 DIBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)ccc1F ZINC000507140337 340209307 /nfs/dbraw/zinc/20/93/07/340209307.db2.gz CSKBYBOVLQGNAT-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)ccc1F ZINC000507140337 340209308 /nfs/dbraw/zinc/20/93/08/340209308.db2.gz CSKBYBOVLQGNAT-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO CC(C)[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000507157865 340210067 /nfs/dbraw/zinc/21/00/67/340210067.db2.gz XVWWCONUQHNXDT-UHFFFAOYSA-N 1 2 308.378 4.206 20 5 DIBDLO CC(C)[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000507157865 340210068 /nfs/dbraw/zinc/21/00/68/340210068.db2.gz XVWWCONUQHNXDT-UHFFFAOYSA-N 1 2 308.378 4.206 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000507167674 340210625 /nfs/dbraw/zinc/21/06/25/340210625.db2.gz NRQQULIXVJSFQE-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000507167674 340210626 /nfs/dbraw/zinc/21/06/26/340210626.db2.gz NRQQULIXVJSFQE-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H]2c2ccccc2)c(F)c1 ZINC000509855437 340281646 /nfs/dbraw/zinc/28/16/46/340281646.db2.gz YUYFDUOECINIJF-QGZVFWFLSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H]2c2ccccc2)c(F)c1 ZINC000509855437 340281647 /nfs/dbraw/zinc/28/16/47/340281647.db2.gz YUYFDUOECINIJF-QGZVFWFLSA-N 1 2 318.323 4.210 20 5 DIBDLO CO[C@@H](C)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000542939716 341026783 /nfs/dbraw/zinc/02/67/83/341026783.db2.gz NJORZBLLVNBWGN-LBPRGKRZSA-N 1 2 323.421 4.163 20 5 DIBDLO C[C@H]([NH2+]CC(F)(F)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000555003348 341472532 /nfs/dbraw/zinc/47/25/32/341472532.db2.gz UQDRYJHMGNXDEY-LBPRGKRZSA-N 1 2 306.312 4.037 20 5 DIBDLO CCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000162332092 522455001 /nfs/dbraw/zinc/45/50/01/522455001.db2.gz WPGCQBAUSFKUHV-RYUDHWBXSA-N 1 2 319.430 4.334 20 5 DIBDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000189785015 527081839 /nfs/dbraw/zinc/08/18/39/527081839.db2.gz FRXMKKCFZRNKDX-MRXNPFEDSA-N 1 2 317.414 4.005 20 5 DIBDLO Cc1nc([C@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000189785015 527081842 /nfs/dbraw/zinc/08/18/42/527081842.db2.gz FRXMKKCFZRNKDX-MRXNPFEDSA-N 1 2 317.414 4.005 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505309 1037614037 /nfs/dbraw/zinc/61/40/37/1037614037.db2.gz GLKMICIRBFLKAI-PXAZEXFGSA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505309 1037614041 /nfs/dbraw/zinc/61/40/41/1037614041.db2.gz GLKMICIRBFLKAI-PXAZEXFGSA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505505 1037619494 /nfs/dbraw/zinc/61/94/94/1037619494.db2.gz MWUPWDLOVUEYJQ-LRDDRELGSA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505505 1037619501 /nfs/dbraw/zinc/61/95/01/1037619501.db2.gz MWUPWDLOVUEYJQ-LRDDRELGSA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001167548797 1038585073 /nfs/dbraw/zinc/58/50/73/1038585073.db2.gz HQEACDDNWGMDGC-CYBMUJFWSA-N 1 2 308.381 4.160 20 5 DIBDLO C[C@H](c1ccc2c(c1)CCC2)[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001167548797 1038585075 /nfs/dbraw/zinc/58/50/75/1038585075.db2.gz HQEACDDNWGMDGC-CYBMUJFWSA-N 1 2 308.381 4.160 20 5 DIBDLO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1F ZINC000594019172 1038618341 /nfs/dbraw/zinc/61/83/41/1038618341.db2.gz CLCVBKQFGNZCAT-OAHLLOKOSA-N 1 2 306.312 4.114 20 5 DIBDLO O=[N+]([O-])c1cccc(C[NH2+][C@H](c2ccco2)c2ccccc2)c1 ZINC000061556101 1039111207 /nfs/dbraw/zinc/11/12/07/1039111207.db2.gz RXSBDINNQDDSJM-SFHVURJKSA-N 1 2 308.337 4.067 20 5 DIBDLO C[N@H+](Cc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542001409 1039779871 /nfs/dbraw/zinc/77/98/71/1039779871.db2.gz NEKIACTXCQHXNA-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542001409 1039779887 /nfs/dbraw/zinc/77/98/87/1039779887.db2.gz NEKIACTXCQHXNA-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccnc1Cl ZINC000271862172 1039852542 /nfs/dbraw/zinc/85/25/42/1039852542.db2.gz ZTGYRSAGXHFINN-QWRGUYRKSA-N 1 2 305.765 4.055 20 5 DIBDLO CC(C)[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811472032 1041525952 /nfs/dbraw/zinc/52/59/52/1041525952.db2.gz SHIVNMYTPFEKPT-LBPRGKRZSA-N 1 2 303.189 4.132 20 5 DIBDLO CC(C)[C@@H]1CC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811472032 1041525956 /nfs/dbraw/zinc/52/59/56/1041525956.db2.gz SHIVNMYTPFEKPT-LBPRGKRZSA-N 1 2 303.189 4.132 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(F)cc1F ZINC000105688631 1041613456 /nfs/dbraw/zinc/61/34/56/1041613456.db2.gz NHNCCLLVZFMJKJ-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000105688631 1041613460 /nfs/dbraw/zinc/61/34/60/1041613460.db2.gz NHNCCLLVZFMJKJ-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO CC(C)Oc1cccc(C[N@H+](C)Cc2csc([N+](=O)[O-])c2)c1 ZINC000120665671 1042529975 /nfs/dbraw/zinc/52/99/75/1042529975.db2.gz HBEVWNCSAVSZSH-UHFFFAOYSA-N 1 2 320.414 4.076 20 5 DIBDLO CC(C)Oc1cccc(C[N@@H+](C)Cc2csc([N+](=O)[O-])c2)c1 ZINC000120665671 1042529976 /nfs/dbraw/zinc/52/99/76/1042529976.db2.gz HBEVWNCSAVSZSH-UHFFFAOYSA-N 1 2 320.414 4.076 20 5 DIBDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000872016673 1043419201 /nfs/dbraw/zinc/41/92/01/1043419201.db2.gz MKJFZWRINZADIK-ZJUUUORDSA-N 1 2 324.302 4.424 20 5 DIBDLO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025444 1043423156 /nfs/dbraw/zinc/42/31/56/1043423156.db2.gz MZGIUCOGIUREAA-GMXVVIOVSA-N 1 2 318.348 4.301 20 5 DIBDLO CCC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000872030987 1043426404 /nfs/dbraw/zinc/42/64/04/1043426404.db2.gz FOTYWHAKQKQHBF-SWLSCSKDSA-N 1 2 317.364 4.321 20 5 DIBDLO C[C@@H]([NH2+][C@@H]1CSc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872034545 1043428060 /nfs/dbraw/zinc/42/80/60/1043428060.db2.gz JXNJDKJSVNTWPU-ZWNOBZJWSA-N 1 2 318.373 4.232 20 5 DIBDLO C[C@H]([NH2+][C@H]1CSc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872034537 1043428898 /nfs/dbraw/zinc/42/88/98/1043428898.db2.gz JXNJDKJSVNTWPU-GWCFXTLKSA-N 1 2 318.373 4.232 20 5 DIBDLO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872055073 1043437356 /nfs/dbraw/zinc/43/73/56/1043437356.db2.gz FMFFICBWPIQOHD-LLVKDONJSA-N 1 2 318.323 4.213 20 5 DIBDLO CC(C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000886901183 1044717522 /nfs/dbraw/zinc/71/75/22/1044717522.db2.gz SAEUXMJHRFDUCH-UHFFFAOYSA-N 1 2 324.302 4.037 20 5 DIBDLO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cn1 ZINC000779127040 1045300210 /nfs/dbraw/zinc/30/02/10/1045300210.db2.gz FGBHZDOKHGEVMC-CQSZACIVSA-N 1 2 323.755 4.023 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451833137 1045731738 /nfs/dbraw/zinc/73/17/38/1045731738.db2.gz HPDDMZYQCRHQEV-GUYCJALGSA-N 1 2 312.369 4.476 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451833137 1045731757 /nfs/dbraw/zinc/73/17/57/1045731757.db2.gz HPDDMZYQCRHQEV-GUYCJALGSA-N 1 2 312.369 4.476 20 5 DIBDLO CC1(C)C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000191664189 1045746228 /nfs/dbraw/zinc/74/62/28/1045746228.db2.gz SBZLLBJFXUQGGR-JTQLQIEISA-N 1 2 322.352 4.067 20 5 DIBDLO CC1(C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000191664189 1045746231 /nfs/dbraw/zinc/74/62/31/1045746231.db2.gz SBZLLBJFXUQGGR-JTQLQIEISA-N 1 2 322.352 4.067 20 5 DIBDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000748819937 1046406390 /nfs/dbraw/zinc/40/63/90/1046406390.db2.gz RDZWQHGGGMKHAL-QMTHXVAHSA-N 1 2 320.776 4.254 20 5 DIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1CC(CC2CC2)C1 ZINC001462458423 1047281218 /nfs/dbraw/zinc/28/12/18/1047281218.db2.gz KKUWENUQJWYCGB-UHFFFAOYSA-N 1 2 315.200 4.134 20 5 DIBDLO CC[C@@H](c1ccccc1OC)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000553992635 1047978576 /nfs/dbraw/zinc/97/85/76/1047978576.db2.gz SYOBGVPSVXQWNC-AWEZNQCLSA-N 1 2 320.414 4.248 20 5 DIBDLO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000553992635 1047978584 /nfs/dbraw/zinc/97/85/84/1047978584.db2.gz SYOBGVPSVXQWNC-AWEZNQCLSA-N 1 2 320.414 4.248 20 5 DIBDLO COc1ncc(Nc2ccc3[nH+]c4ccccc4cc3c2)cc1N ZINC001203507808 1048914318 /nfs/dbraw/zinc/91/43/18/1048914318.db2.gz ANTJREMCNLRECO-UHFFFAOYSA-N 1 2 316.364 4.117 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000775452000 1048923613 /nfs/dbraw/zinc/92/36/13/1048923613.db2.gz OSZHLUFIZHWPNZ-UHFFFAOYSA-N 1 2 320.751 4.166 20 5 DIBDLO Cc1cc(Oc2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)cc[nH+]1 ZINC001203581457 1048936009 /nfs/dbraw/zinc/93/60/09/1048936009.db2.gz WUQHDBGBYQHLHT-UHFFFAOYSA-N 1 2 322.324 4.229 20 5 DIBDLO Cc1cc([NH+](C)C)ccc1N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000776766951 1049003329 /nfs/dbraw/zinc/00/33/29/1049003329.db2.gz ODHZVODTHYYMTR-CQSZACIVSA-N 1 2 313.401 4.451 20 5 DIBDLO C[N@H+](Cc1cc2ccccc2o1)Cc1ccc([N+](=O)[O-])cc1F ZINC000490395216 1049826700 /nfs/dbraw/zinc/82/67/00/1049826700.db2.gz BBNPRZVSTDKMJK-UHFFFAOYSA-N 1 2 314.316 4.112 20 5 DIBDLO C[N@@H+](Cc1cc2ccccc2o1)Cc1ccc([N+](=O)[O-])cc1F ZINC000490395216 1049826709 /nfs/dbraw/zinc/82/67/09/1049826709.db2.gz BBNPRZVSTDKMJK-UHFFFAOYSA-N 1 2 314.316 4.112 20 5 DIBDLO Cc1ccnc(Nc2ccc([NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000734481343 1050275302 /nfs/dbraw/zinc/27/53/02/1050275302.db2.gz PTEKCEQAAXJNNS-UHFFFAOYSA-N 1 2 312.373 4.032 20 5 DIBDLO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734838031 1050324456 /nfs/dbraw/zinc/32/44/56/1050324456.db2.gz LQPKNXWKKBLNTH-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734838031 1050324470 /nfs/dbraw/zinc/32/44/70/1050324470.db2.gz LQPKNXWKKBLNTH-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC001171134111 1050463474 /nfs/dbraw/zinc/46/34/74/1050463474.db2.gz WDFWQJKUBYWZST-QGZVFWFLSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC001171134111 1050463482 /nfs/dbraw/zinc/46/34/82/1050463482.db2.gz WDFWQJKUBYWZST-QGZVFWFLSA-N 1 2 318.323 4.210 20 5 DIBDLO C[N@H+](Cc1cccc(F)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746655795 1050563010 /nfs/dbraw/zinc/56/30/10/1050563010.db2.gz YNXXSHVJONJPMN-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1cccc(F)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746655795 1050563019 /nfs/dbraw/zinc/56/30/19/1050563019.db2.gz YNXXSHVJONJPMN-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO Cc1cc(C)c(Nc2c(N)c3cccnc3c3ncccc32)c[nH+]1 ZINC001213518616 1050679378 /nfs/dbraw/zinc/67/93/78/1050679378.db2.gz YBYLVUZPDGVWIW-UHFFFAOYSA-N 1 2 315.380 4.121 20 5 DIBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000791583154 1051059839 /nfs/dbraw/zinc/05/98/39/1051059839.db2.gz LPFOTPRERKUSTN-KWQFWETISA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000791583154 1051059845 /nfs/dbraw/zinc/05/98/45/1051059845.db2.gz LPFOTPRERKUSTN-KWQFWETISA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000791583153 1051060775 /nfs/dbraw/zinc/06/07/75/1051060775.db2.gz LPFOTPRERKUSTN-KCJUWKMLSA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000791583153 1051060791 /nfs/dbraw/zinc/06/07/91/1051060791.db2.gz LPFOTPRERKUSTN-KCJUWKMLSA-N 1 2 322.714 4.021 20 5 DIBDLO CSc1ccccc1C[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000791599372 1051066766 /nfs/dbraw/zinc/06/67/66/1051066766.db2.gz QSIQXGLWVCPGCJ-UHFFFAOYSA-N 1 2 320.389 4.088 20 5 DIBDLO CSc1ccccc1C[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000791599372 1051066777 /nfs/dbraw/zinc/06/67/77/1051066777.db2.gz QSIQXGLWVCPGCJ-UHFFFAOYSA-N 1 2 320.389 4.088 20 5 DIBDLO CC1(C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC001168859071 1051453798 /nfs/dbraw/zinc/45/37/98/1051453798.db2.gz LEPBQVRUVYCYFR-UHFFFAOYSA-N 1 2 314.360 4.027 20 5 DIBDLO CC1(C)C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])Cc2ccccc21 ZINC001168859071 1051453809 /nfs/dbraw/zinc/45/38/09/1051453809.db2.gz LEPBQVRUVYCYFR-UHFFFAOYSA-N 1 2 314.360 4.027 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000494107252 1051690888 /nfs/dbraw/zinc/69/08/88/1051690888.db2.gz MAPOWGQZCZENCZ-SECBINFHSA-N 1 2 322.714 4.023 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000494107252 1051690892 /nfs/dbraw/zinc/69/08/92/1051690892.db2.gz MAPOWGQZCZENCZ-SECBINFHSA-N 1 2 322.714 4.023 20 5 DIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccsc1 ZINC000609193732 1051882405 /nfs/dbraw/zinc/88/24/05/1051882405.db2.gz WVQHXWBEBPIQRU-UHFFFAOYSA-N 1 2 320.414 4.076 20 5 DIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccsc1 ZINC000609193732 1051882413 /nfs/dbraw/zinc/88/24/13/1051882413.db2.gz WVQHXWBEBPIQRU-UHFFFAOYSA-N 1 2 320.414 4.076 20 5 DIBDLO NC(=O)c1cccc(Nc2ccc3[nH+]c4ccccc4cc3c2)c1 ZINC001174059567 1051945228 /nfs/dbraw/zinc/94/52/28/1051945228.db2.gz QXCUUIPOIMUWKX-UHFFFAOYSA-N 1 2 313.360 4.231 20 5 DIBDLO FC1(F)C[NH2+]C[C@H](Oc2ccc3cc4ccccc4cc3c2)C1 ZINC001218280192 1052218050 /nfs/dbraw/zinc/21/80/50/1052218050.db2.gz RYSSRAROXWDTHA-GOSISDBHSA-N 1 2 313.347 4.369 20 5 DIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000917086628 1052697371 /nfs/dbraw/zinc/69/73/71/1052697371.db2.gz GIMZEDKJNQJAMG-INIZCTEOSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000917086628 1052697372 /nfs/dbraw/zinc/69/73/72/1052697372.db2.gz GIMZEDKJNQJAMG-INIZCTEOSA-N 1 2 318.323 4.210 20 5 DIBDLO C[N@H+](Cc1cccc(F)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609704782 1052988347 /nfs/dbraw/zinc/98/83/47/1052988347.db2.gz KIGPDFINXGGDSZ-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000609704782 1052988350 /nfs/dbraw/zinc/98/83/50/1052988350.db2.gz KIGPDFINXGGDSZ-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000179795543 1053028007 /nfs/dbraw/zinc/02/80/07/1053028007.db2.gz CHJIUQDCBUTLTQ-OAHLLOKOSA-N 1 2 324.302 4.253 20 5 DIBDLO CCCCNc1[nH+]c2ccccc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000849477870 1053094126 /nfs/dbraw/zinc/09/41/26/1053094126.db2.gz FNQVCASAKGMAKP-UHFFFAOYSA-N 1 2 324.384 4.205 20 5 DIBDLO COc1c(C)c[nH+]c(CSCc2ccccc2[N+](=O)[O-])c1C ZINC001319859263 1053282474 /nfs/dbraw/zinc/28/24/74/1053282474.db2.gz SETBERNZXQHVKQ-UHFFFAOYSA-N 1 2 318.398 4.049 20 5 DIBDLO Cc1ccc([C@H](C)[NH2+]Cc2coc(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC001335611747 1054222010 /nfs/dbraw/zinc/22/20/10/1054222010.db2.gz DWNLGDTWFZLLFP-LBPRGKRZSA-N 1 2 317.389 4.040 20 5 DIBDLO CC[N@H+](Cc1ccccc1F)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001336757238 1054247446 /nfs/dbraw/zinc/24/74/46/1054247446.db2.gz RHJMDSHIFYLZHJ-UHFFFAOYSA-N 1 2 322.767 4.409 20 5 DIBDLO CC[N@@H+](Cc1ccccc1F)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001336757238 1054247458 /nfs/dbraw/zinc/24/74/58/1054247458.db2.gz RHJMDSHIFYLZHJ-UHFFFAOYSA-N 1 2 322.767 4.409 20 5 DIBDLO Cc1c(CNc2[nH+]c3ccccc3n2C(C)C)cccc1[N+](=O)[O-] ZINC001621051828 1056011282 /nfs/dbraw/zinc/01/12/82/1056011282.db2.gz UPAUODYDYSMKLF-UHFFFAOYSA-N 1 2 324.384 4.446 20 5 DIBDLO Cc1ccccc1[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)C ZINC000553439297 1056153227 /nfs/dbraw/zinc/15/32/27/1056153227.db2.gz VZBSPFNDKQZAFT-GOSISDBHSA-N 1 2 314.385 4.096 20 5 DIBDLO Cc1cc([NH+]2CCCC2)ccc1Nc1ccc([N+](=O)[O-])cc1F ZINC001611712326 1056181254 /nfs/dbraw/zinc/18/12/54/1056181254.db2.gz DJDRYGZLGYJXJR-UHFFFAOYSA-N 1 2 315.348 4.386 20 5 DIBDLO CC1(C)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001616891841 1056733962 /nfs/dbraw/zinc/73/39/62/1056733962.db2.gz JONHSVGWNMRGFZ-UHFFFAOYSA-N 1 2 314.360 4.027 20 5 DIBDLO CC1(C)C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001616891841 1056733968 /nfs/dbraw/zinc/73/39/68/1056733968.db2.gz JONHSVGWNMRGFZ-UHFFFAOYSA-N 1 2 314.360 4.027 20 5 DIBDLO COc1cccc(Cl)c1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000318148550 1057014739 /nfs/dbraw/zinc/01/47/39/1057014739.db2.gz GZJCCMHDSASBDZ-LLVKDONJSA-N 1 2 320.776 4.108 20 5 DIBDLO Cc1nc(C(C)C)ccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000338890787 1057079289 /nfs/dbraw/zinc/07/92/89/1057079289.db2.gz YPEUWUGCFSJFRE-UHFFFAOYSA-N 1 2 313.401 4.054 20 5 DIBDLO Cc1nc(C(C)C)ccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000338890787 1057079293 /nfs/dbraw/zinc/07/92/93/1057079293.db2.gz YPEUWUGCFSJFRE-UHFFFAOYSA-N 1 2 313.401 4.054 20 5 DIBDLO Cc1ccc(C[N@@H+]2CCc3cccc(F)c3[C@@H]2C)cc1[N+](=O)[O-] ZINC001559558397 1059373371 /nfs/dbraw/zinc/37/33/71/1059373371.db2.gz VWNQWPAQXDSCBV-ZDUSSCGKSA-N 1 2 314.360 4.162 20 5 DIBDLO Cc1ccc(C[N@H+]2CCc3cccc(F)c3[C@@H]2C)cc1[N+](=O)[O-] ZINC001559558397 1059373395 /nfs/dbraw/zinc/37/33/95/1059373395.db2.gz VWNQWPAQXDSCBV-ZDUSSCGKSA-N 1 2 314.360 4.162 20 5 DIBDLO CCCCC[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC001559685209 1059513139 /nfs/dbraw/zinc/51/31/39/1059513139.db2.gz VOQATBYLQDJXNX-MRXNPFEDSA-N 1 2 308.422 4.385 20 5 DIBDLO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc21 ZINC001460748866 1063036362 /nfs/dbraw/zinc/03/63/62/1063036362.db2.gz ZSGRSMYZZWMHCF-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc21 ZINC001460748866 1063036377 /nfs/dbraw/zinc/03/63/77/1063036377.db2.gz ZSGRSMYZZWMHCF-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO CNc1ccc(Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])c[nH+]1 ZINC001307071115 1065249121 /nfs/dbraw/zinc/24/91/21/1065249121.db2.gz BPAGFYZQMBXYHI-UHFFFAOYSA-N 1 2 313.144 4.082 20 5 DIBDLO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001307524161 1065461841 /nfs/dbraw/zinc/46/18/41/1065461841.db2.gz TVNQPAXYWVDTFB-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H](c1cccc(Cl)c1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001307524161 1065461843 /nfs/dbraw/zinc/46/18/43/1065461843.db2.gz TVNQPAXYWVDTFB-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO CC(C)(C)C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC001307834690 1065646535 /nfs/dbraw/zinc/64/65/35/1065646535.db2.gz IBRTXDCCIRDLHQ-AWEZNQCLSA-N 1 2 320.433 4.337 20 5 DIBDLO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1(C)C ZINC001307834690 1065646538 /nfs/dbraw/zinc/64/65/38/1065646538.db2.gz IBRTXDCCIRDLHQ-AWEZNQCLSA-N 1 2 320.433 4.337 20 5 DIBDLO Cc1c(Cl)ccc2c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001308022503 1065728627 /nfs/dbraw/zinc/72/86/27/1065728627.db2.gz NKPSGIJXDORPLP-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1c(Cl)ccc2c1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001308022503 1065728640 /nfs/dbraw/zinc/72/86/40/1065728640.db2.gz NKPSGIJXDORPLP-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO CC(C)c1nc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000076900457 185052327 /nfs/dbraw/zinc/05/23/27/185052327.db2.gz QLEFZQNBYXBLPH-NSHDSACASA-N 1 2 305.403 4.026 20 5 DIBDLO COc1ccc(CNc2[nH+]c3ccccc3cc2C)cc1[N+](=O)[O-] ZINC000532269186 435153526 /nfs/dbraw/zinc/15/35/26/435153526.db2.gz DXVWRGIYIKEWTQ-UHFFFAOYSA-N 1 2 323.352 4.072 20 5 DIBDLO Cc1[nH]c2ccc(COc3ccc(Cl)cc3[N+](=O)[O-])cc2[nH+]1 ZINC000460421055 333082907 /nfs/dbraw/zinc/08/29/07/333082907.db2.gz BJPSMYIKRKUUJG-UHFFFAOYSA-N 1 2 317.732 4.012 20 5 DIBDLO Cc1[nH]c2cc(COc3ccc(Cl)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000460421055 333082908 /nfs/dbraw/zinc/08/29/08/333082908.db2.gz BJPSMYIKRKUUJG-UHFFFAOYSA-N 1 2 317.732 4.012 20 5 DIBDLO CC(C)c1cc(NCc2ccccc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000301866093 336335046 /nfs/dbraw/zinc/33/50/46/336335046.db2.gz HDVVWCMWKJPOST-UHFFFAOYSA-N 1 2 314.389 4.244 20 5 DIBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1cc2ccccc2o1 ZINC000175184932 337145986 /nfs/dbraw/zinc/14/59/86/337145986.db2.gz CHOWWXSESACAFJ-UHFFFAOYSA-N 1 2 302.355 4.035 20 5 DIBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1cc2ccccc2o1 ZINC000175184932 337145987 /nfs/dbraw/zinc/14/59/87/337145987.db2.gz CHOWWXSESACAFJ-UHFFFAOYSA-N 1 2 302.355 4.035 20 5 DIBDLO Cc1[nH+]c(C(C)C)ccc1COc1ccc(F)cc1[N+](=O)[O-] ZINC000572182332 337595511 /nfs/dbraw/zinc/59/55/11/337595511.db2.gz YSYJJZHDMUGNAX-UHFFFAOYSA-N 1 2 304.321 4.140 20 5 DIBDLO C[C@@H](c1ccco1)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000086234715 338013498 /nfs/dbraw/zinc/01/34/98/338013498.db2.gz LUOGZKHWEUBCRF-NSHDSACASA-N 1 2 304.321 4.053 20 5 DIBDLO C[C@@H](c1ccco1)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000086234715 338013499 /nfs/dbraw/zinc/01/34/99/338013499.db2.gz LUOGZKHWEUBCRF-NSHDSACASA-N 1 2 304.321 4.053 20 5 DIBDLO Cc1cc([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)ccc1F ZINC000451163553 338723777 /nfs/dbraw/zinc/72/37/77/338723777.db2.gz QAQBHQKNUPQASK-SNVBAGLBSA-N 1 2 324.302 4.171 20 5 DIBDLO Cc1c(C[N@H+](C)Cc2ccc(F)cc2Cl)cccc1[N+](=O)[O-] ZINC000503622393 340132568 /nfs/dbraw/zinc/13/25/68/340132568.db2.gz NIBKYMCEBXFARI-UHFFFAOYSA-N 1 2 322.767 4.328 20 5 DIBDLO Cc1c(C[N@@H+](C)Cc2ccc(F)cc2Cl)cccc1[N+](=O)[O-] ZINC000503622393 340132569 /nfs/dbraw/zinc/13/25/69/340132569.db2.gz NIBKYMCEBXFARI-UHFFFAOYSA-N 1 2 322.767 4.328 20 5 DIBDLO C[N@H+](Cc1ccc(Cl)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505610693 340172951 /nfs/dbraw/zinc/17/29/51/340172951.db2.gz ORHLFPSLRCZCSU-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1ccc(Cl)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505610693 340172952 /nfs/dbraw/zinc/17/29/52/340172952.db2.gz ORHLFPSLRCZCSU-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000505786404 340178014 /nfs/dbraw/zinc/17/80/14/340178014.db2.gz ZUBKPPYRTLAOLL-MRXNPFEDSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000505786404 340178015 /nfs/dbraw/zinc/17/80/15/340178015.db2.gz ZUBKPPYRTLAOLL-MRXNPFEDSA-N 1 2 318.323 4.210 20 5 DIBDLO CC[N@H+](Cc1ccc(Cl)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505797149 340178275 /nfs/dbraw/zinc/17/82/75/340178275.db2.gz SYZZNAPCTCFGRC-UHFFFAOYSA-N 1 2 322.767 4.409 20 5 DIBDLO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505797149 340178276 /nfs/dbraw/zinc/17/82/76/340178276.db2.gz SYZZNAPCTCFGRC-UHFFFAOYSA-N 1 2 322.767 4.409 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](Cc1ccco1)C1CCCC1 ZINC000505816076 340178715 /nfs/dbraw/zinc/17/87/15/340178715.db2.gz SZXFCRZBTHNHBL-UHFFFAOYSA-N 1 2 318.348 4.272 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000505816076 340178716 /nfs/dbraw/zinc/17/87/16/340178716.db2.gz SZXFCRZBTHNHBL-UHFFFAOYSA-N 1 2 318.348 4.272 20 5 DIBDLO Cc1ccc([C@H](C)[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000505848469 340179623 /nfs/dbraw/zinc/17/96/23/340179623.db2.gz SVQCHNYJLMRSOC-ZDUSSCGKSA-N 1 2 302.349 4.235 20 5 DIBDLO Cc1ccc([C@H](C)[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])cc1 ZINC000505848469 340179624 /nfs/dbraw/zinc/17/96/24/340179624.db2.gz SVQCHNYJLMRSOC-ZDUSSCGKSA-N 1 2 302.349 4.235 20 5 DIBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)ccc1F ZINC000507159039 340209916 /nfs/dbraw/zinc/20/99/16/340209916.db2.gz GMJZGWQJYBMBDG-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)ccc1F ZINC000507159039 340209917 /nfs/dbraw/zinc/20/99/17/340209917.db2.gz GMJZGWQJYBMBDG-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO CC[N@H+](Cc1cccc(F)c1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509277770 340265113 /nfs/dbraw/zinc/26/51/13/340265113.db2.gz DNABQEDHBMOZCF-UHFFFAOYSA-N 1 2 324.302 4.034 20 5 DIBDLO CC[N@@H+](Cc1cccc(F)c1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509277770 340265114 /nfs/dbraw/zinc/26/51/14/340265114.db2.gz DNABQEDHBMOZCF-UHFFFAOYSA-N 1 2 324.302 4.034 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000511574075 340330925 /nfs/dbraw/zinc/33/09/25/340330925.db2.gz JOFAWJPQTKSRLW-MRXNPFEDSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000511574075 340330926 /nfs/dbraw/zinc/33/09/26/340330926.db2.gz JOFAWJPQTKSRLW-MRXNPFEDSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000511574074 340330943 /nfs/dbraw/zinc/33/09/43/340330943.db2.gz JOFAWJPQTKSRLW-INIZCTEOSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)cc1 ZINC000511574074 340330944 /nfs/dbraw/zinc/33/09/44/340330944.db2.gz JOFAWJPQTKSRLW-INIZCTEOSA-N 1 2 302.761 4.195 20 5 DIBDLO CC[C@@H](Nc1cc[nH+]c(C(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000174930996 340399460 /nfs/dbraw/zinc/39/94/60/340399460.db2.gz QSBKZHCFNAKGQU-CQSZACIVSA-N 1 2 300.362 4.071 20 5 DIBDLO COc1c(C)c[nH+]c(CSCc2ccc([N+](=O)[O-])cc2)c1C ZINC000513815172 340426225 /nfs/dbraw/zinc/42/62/25/340426225.db2.gz OKHKQLMDWVTBDE-UHFFFAOYSA-N 1 2 318.398 4.049 20 5 DIBDLO Cc1cccc(OCc2ccc(C(C)C)[nH+]c2C)c1[N+](=O)[O-] ZINC000549375687 341292637 /nfs/dbraw/zinc/29/26/37/341292637.db2.gz DMCLNAIMHYGJIJ-UHFFFAOYSA-N 1 2 300.358 4.309 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1sccc1Cl)C1CC1 ZINC000549385219 341292874 /nfs/dbraw/zinc/29/28/74/341292874.db2.gz CWBYNRGNFWZUQO-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1sccc1Cl)C1CC1 ZINC000549385219 341292875 /nfs/dbraw/zinc/29/28/75/341292875.db2.gz CWBYNRGNFWZUQO-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO CC(C)C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccs1 ZINC000549545605 341297155 /nfs/dbraw/zinc/29/71/55/341297155.db2.gz ZMZVDTQDDDWHHA-AWEZNQCLSA-N 1 2 320.414 4.239 20 5 DIBDLO CC(F)(F)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000549865501 341305443 /nfs/dbraw/zinc/30/54/43/341305443.db2.gz ANGUHYPSOUWWTQ-UHFFFAOYSA-N 1 2 312.341 4.068 20 5 DIBDLO CCCCc1nc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000180420900 521304756 /nfs/dbraw/zinc/30/47/56/521304756.db2.gz LAHAZSWIOXKXHP-GFCCVEGCSA-N 1 2 319.430 4.245 20 5 DIBDLO CCc1nc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000162332371 522453199 /nfs/dbraw/zinc/45/31/99/522453199.db2.gz WPGCQBAUSFKUHV-NEPJUHHUSA-N 1 2 319.430 4.334 20 5 DIBDLO Cc1nc([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000189918769 527081555 /nfs/dbraw/zinc/08/15/55/527081555.db2.gz ZTNTWALCAPAPCQ-MRXNPFEDSA-N 1 2 317.414 4.005 20 5 DIBDLO Cc1nc([C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000189918769 527081559 /nfs/dbraw/zinc/08/15/59/527081559.db2.gz ZTNTWALCAPAPCQ-MRXNPFEDSA-N 1 2 317.414 4.005 20 5 DIBDLO COc1ccccc1[C@@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000317596676 1037722685 /nfs/dbraw/zinc/72/26/85/1037722685.db2.gz PPLKYVLVMKYYOR-LLVKDONJSA-N 1 2 320.776 4.108 20 5 DIBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ncccc1Cl ZINC000599270177 1038263601 /nfs/dbraw/zinc/26/36/01/1038263601.db2.gz BQLOVWDUKVUDFI-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ncccc1Cl ZINC000599270177 1038263614 /nfs/dbraw/zinc/26/36/14/1038263614.db2.gz BQLOVWDUKVUDFI-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO CC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1F ZINC000594017795 1038618451 /nfs/dbraw/zinc/61/84/51/1038618451.db2.gz OEASQDXOBLBPGV-MRXNPFEDSA-N 1 2 324.302 4.253 20 5 DIBDLO CCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000178655401 1038905356 /nfs/dbraw/zinc/90/53/56/1038905356.db2.gz KTKGXFWKGGOPKZ-GHMZBOCLSA-N 1 2 305.403 4.026 20 5 DIBDLO Cc1noc(C[NH2+][C@H](c2ccccc2Cl)C(C)C)c1[N+](=O)[O-] ZINC000595419518 1039560501 /nfs/dbraw/zinc/56/05/01/1039560501.db2.gz ZUNMYFNPXISXJB-AWEZNQCLSA-N 1 2 323.780 4.032 20 5 DIBDLO C[N@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542001524 1039779257 /nfs/dbraw/zinc/77/92/57/1039779257.db2.gz NXPUDEBWJRNVBM-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000542001524 1039779276 /nfs/dbraw/zinc/77/92/76/1039779276.db2.gz NXPUDEBWJRNVBM-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(Cl)c1 ZINC000542001686 1039779535 /nfs/dbraw/zinc/77/95/35/1039779535.db2.gz SYCOWLLMUYAWDU-MRXNPFEDSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c(Cl)c1 ZINC000542001686 1039779555 /nfs/dbraw/zinc/77/95/55/1039779555.db2.gz SYCOWLLMUYAWDU-MRXNPFEDSA-N 1 2 302.761 4.195 20 5 DIBDLO COc1c(C)c[nH+]c(CSc2ccc([N+](=O)[O-])cc2F)c1C ZINC000613526127 1041089986 /nfs/dbraw/zinc/08/99/86/1041089986.db2.gz XCAFVICOMYWBPE-UHFFFAOYSA-N 1 2 322.361 4.047 20 5 DIBDLO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)c1cccnc1 ZINC000809766263 1041251980 /nfs/dbraw/zinc/25/19/80/1041251980.db2.gz WLOKBLGAGXEMDG-GFCCVEGCSA-N 1 2 319.792 4.226 20 5 DIBDLO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)c1cccnc1 ZINC000809766263 1041251992 /nfs/dbraw/zinc/25/19/92/1041251992.db2.gz WLOKBLGAGXEMDG-GFCCVEGCSA-N 1 2 319.792 4.226 20 5 DIBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000872016671 1043419274 /nfs/dbraw/zinc/41/92/74/1043419274.db2.gz MKJFZWRINZADIK-UWVGGRQHSA-N 1 2 324.302 4.424 20 5 DIBDLO CC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1c(C)noc1C ZINC000872051159 1043436122 /nfs/dbraw/zinc/43/61/22/1043436122.db2.gz HRPQKNOKONJOPI-RNCFNFMXSA-N 1 2 321.352 4.141 20 5 DIBDLO CC(C)c1cnc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000873183974 1043524425 /nfs/dbraw/zinc/52/44/25/1043524425.db2.gz UXGAPCVLLFNCNW-LLVKDONJSA-N 1 2 305.403 4.026 20 5 DIBDLO Cc1cc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)ccc1[NH+](C)C ZINC000777642944 1043725528 /nfs/dbraw/zinc/72/55/28/1043725528.db2.gz GNIUFKOLEZJSDI-CQSZACIVSA-N 1 2 313.401 4.451 20 5 DIBDLO CCCc1nc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cs1 ZINC000292198225 1044147210 /nfs/dbraw/zinc/14/72/10/1044147210.db2.gz RZMRBCVKRDEBFP-UHFFFAOYSA-N 1 2 319.430 4.029 20 5 DIBDLO Cc1cccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000042316408 1044587411 /nfs/dbraw/zinc/58/74/11/1044587411.db2.gz URMOBIMUOJYKEZ-UHFFFAOYSA-N 1 2 304.777 4.189 20 5 DIBDLO Cc1cccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000042316408 1044587424 /nfs/dbraw/zinc/58/74/24/1044587424.db2.gz URMOBIMUOJYKEZ-UHFFFAOYSA-N 1 2 304.777 4.189 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451833138 1045732392 /nfs/dbraw/zinc/73/23/92/1045732392.db2.gz HPDDMZYQCRHQEV-SUMWQHHRSA-N 1 2 312.369 4.476 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451833138 1045732402 /nfs/dbraw/zinc/73/24/02/1045732402.db2.gz HPDDMZYQCRHQEV-SUMWQHHRSA-N 1 2 312.369 4.476 20 5 DIBDLO CCc1cccnc1[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000780728138 1046400617 /nfs/dbraw/zinc/40/06/17/1046400617.db2.gz IDSYJEAOTQUPDL-NSHDSACASA-N 1 2 319.792 4.056 20 5 DIBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1F ZINC000783507582 1046601797 /nfs/dbraw/zinc/60/17/97/1046601797.db2.gz JJOPPFGGBSYSGF-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1F ZINC000783507582 1046601804 /nfs/dbraw/zinc/60/18/04/1046601804.db2.gz JJOPPFGGBSYSGF-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO Cc1nc(C[N@@H+](C)Cc2c3ccccc3cc3ccccc32)no1 ZINC001141722922 1047278397 /nfs/dbraw/zinc/27/83/97/1047278397.db2.gz KJKLXKMLSRHRFB-UHFFFAOYSA-N 1 2 317.392 4.316 20 5 DIBDLO Cc1nc(C[N@H+](C)Cc2c3ccccc3cc3ccccc32)no1 ZINC001141722922 1047278413 /nfs/dbraw/zinc/27/84/13/1047278413.db2.gz KJKLXKMLSRHRFB-UHFFFAOYSA-N 1 2 317.392 4.316 20 5 DIBDLO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(F)cc1F ZINC001197819087 1047891310 /nfs/dbraw/zinc/89/13/10/1047891310.db2.gz VSPHXDIPQWMVAT-UHFFFAOYSA-N 1 2 324.302 4.037 20 5 DIBDLO CCN(CC)c1ccc(Nc2cc(Cl)ccc2[N+](=O)[O-])c[nH+]1 ZINC001184865807 1048099476 /nfs/dbraw/zinc/09/94/76/1048099476.db2.gz WXCPIHNYVRGJQT-UHFFFAOYSA-N 1 2 320.780 4.233 20 5 DIBDLO N=C1C=C(Cl)C=C(N)[N@H+]1c1cc2ccccc2c2ccccc21 ZINC001175113547 1048122651 /nfs/dbraw/zinc/12/26/51/1048122651.db2.gz SHRVKWMAMIOHOW-UHFFFAOYSA-N 1 2 319.795 4.499 20 5 DIBDLO N=C1C=C(Cl)C=C(N)[N@@H+]1c1cc2ccccc2c2ccccc21 ZINC001175113547 1048122656 /nfs/dbraw/zinc/12/26/56/1048122656.db2.gz SHRVKWMAMIOHOW-UHFFFAOYSA-N 1 2 319.795 4.499 20 5 DIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000482958322 1048711836 /nfs/dbraw/zinc/71/18/36/1048711836.db2.gz HVCOUACGNIXCTN-OAHLLOKOSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000482958322 1048711850 /nfs/dbraw/zinc/71/18/50/1048711850.db2.gz HVCOUACGNIXCTN-OAHLLOKOSA-N 1 2 302.761 4.195 20 5 DIBDLO Cc1c[nH+]c(C)c(Nc2cc3nc4ccccc4nc3cc2N)c1 ZINC001203662972 1048955604 /nfs/dbraw/zinc/95/56/04/1048955604.db2.gz AVFFBRWWZLGRSM-UHFFFAOYSA-N 1 2 315.380 4.121 20 5 DIBDLO Cc1cc([NH+](C)C)ccc1N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000776766320 1049000290 /nfs/dbraw/zinc/00/02/90/1049000290.db2.gz DEPVBZSBGLBTJX-AWEZNQCLSA-N 1 2 313.401 4.451 20 5 DIBDLO c1cn2ccc(Nc3cc4cccnc4c4ncccc34)cc2[nH+]1 ZINC001204991747 1049332952 /nfs/dbraw/zinc/33/29/52/1049332952.db2.gz SUQMUSPRJWRDLK-UHFFFAOYSA-N 1 2 311.348 4.174 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)c(F)c1 ZINC000491094831 1049886877 /nfs/dbraw/zinc/88/68/77/1049886877.db2.gz ZIRFDTGKLHKFSX-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c(F)c1 ZINC000491094831 1049886885 /nfs/dbraw/zinc/88/68/85/1049886885.db2.gz ZIRFDTGKLHKFSX-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO COc1ccc([N+](=O)[O-])cc1Nc1ccc2c(C)cc[nH+]c2c1 ZINC001210446013 1050248940 /nfs/dbraw/zinc/24/89/40/1050248940.db2.gz MLDAHRKSYSZEPA-UHFFFAOYSA-N 1 2 309.325 4.204 20 5 DIBDLO CC(=O)c1cc(Nc2ccc3[nH+]c4ccccc4cc3c2)ccn1 ZINC001210596755 1050309676 /nfs/dbraw/zinc/30/96/76/1050309676.db2.gz ZTQNOZFPVZGZSM-UHFFFAOYSA-N 1 2 313.360 4.151 20 5 DIBDLO Cc1cccc2c1CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000734838796 1050324138 /nfs/dbraw/zinc/32/41/38/1050324138.db2.gz SLBGWNMFHFTDSD-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1cccc2c1CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000734838796 1050324146 /nfs/dbraw/zinc/32/41/46/1050324146.db2.gz SLBGWNMFHFTDSD-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO CC(C)[N@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735491415 1050404270 /nfs/dbraw/zinc/40/42/70/1050404270.db2.gz KZANVBBHWZOJDD-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO CC(C)[N@@H+](Cc1ccccn1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000735491415 1050404276 /nfs/dbraw/zinc/40/42/76/1050404276.db2.gz KZANVBBHWZOJDD-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO OCc1cncc(Nc2ccc3[nH+]c4ccccc4cc3c2)c1 ZINC001211107241 1050477384 /nfs/dbraw/zinc/47/73/84/1050477384.db2.gz ONCRJQQMMCLJCD-UHFFFAOYSA-N 1 2 301.349 4.019 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCCc2sccc2C1 ZINC000746666619 1050582971 /nfs/dbraw/zinc/58/29/71/1050582971.db2.gz SBNFGGCFBYVNAQ-UHFFFAOYSA-N 1 2 322.817 4.258 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CCCc2sccc2C1 ZINC000746666619 1050582988 /nfs/dbraw/zinc/58/29/88/1050582988.db2.gz SBNFGGCFBYVNAQ-UHFFFAOYSA-N 1 2 322.817 4.258 20 5 DIBDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000740003922 1050594958 /nfs/dbraw/zinc/59/49/58/1050594958.db2.gz CDXGLEQJAOHEJE-QMTHXVAHSA-N 1 2 320.776 4.254 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2F)C2CC2)cc1F ZINC000788470658 1050685395 /nfs/dbraw/zinc/68/53/95/1050685395.db2.gz KYXFTGDKTDOICG-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2F)C2CC2)cc1F ZINC000788470658 1050685398 /nfs/dbraw/zinc/68/53/98/1050685398.db2.gz KYXFTGDKTDOICG-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596592990 1050748354 /nfs/dbraw/zinc/74/83/54/1050748354.db2.gz OOKLBRRLVOQSSM-CXAGYDPISA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596592990 1050748366 /nfs/dbraw/zinc/74/83/66/1050748366.db2.gz OOKLBRRLVOQSSM-CXAGYDPISA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596592993 1050748818 /nfs/dbraw/zinc/74/88/18/1050748818.db2.gz OOKLBRRLVOQSSM-SUMWQHHRSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596592993 1050748833 /nfs/dbraw/zinc/74/88/33/1050748833.db2.gz OOKLBRRLVOQSSM-SUMWQHHRSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596592991 1050749130 /nfs/dbraw/zinc/74/91/30/1050749130.db2.gz OOKLBRRLVOQSSM-DYVFJYSZSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596592991 1050749148 /nfs/dbraw/zinc/74/91/48/1050749148.db2.gz OOKLBRRLVOQSSM-DYVFJYSZSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596592992 1050749397 /nfs/dbraw/zinc/74/93/97/1050749397.db2.gz OOKLBRRLVOQSSM-GUYCJALGSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596592992 1050749418 /nfs/dbraw/zinc/74/94/18/1050749418.db2.gz OOKLBRRLVOQSSM-GUYCJALGSA-N 1 2 311.385 4.134 20 5 DIBDLO Cc1ccc([C@@H](C)[NH2+][C@@H](CF)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000601317946 1050786925 /nfs/dbraw/zinc/78/69/25/1050786925.db2.gz FGDOEWURFQFOOH-WBMJQRKESA-N 1 2 320.339 4.404 20 5 DIBDLO Cc1ccc(C[N@@H+]2CCc3cc(Cl)ccc3C2)cc1[N+](=O)[O-] ZINC001169219123 1051554868 /nfs/dbraw/zinc/55/48/68/1051554868.db2.gz VNRQKDVPTAWSBS-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1ccc(C[N@H+]2CCc3cc(Cl)ccc3C2)cc1[N+](=O)[O-] ZINC001169219123 1051554879 /nfs/dbraw/zinc/55/48/79/1051554879.db2.gz VNRQKDVPTAWSBS-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1cc([NH+](C)C)ccc1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761515935 1051587975 /nfs/dbraw/zinc/58/79/75/1051587975.db2.gz WVRHLROTDGKHAA-UHFFFAOYSA-N 1 2 319.792 4.235 20 5 DIBDLO C[C@@H](c1ccccc1)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494146801 1051694170 /nfs/dbraw/zinc/69/41/70/1051694170.db2.gz VQSMLXRNVIAHRB-LBPRGKRZSA-N 1 2 304.777 4.441 20 5 DIBDLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494146801 1051694173 /nfs/dbraw/zinc/69/41/73/1051694173.db2.gz VQSMLXRNVIAHRB-LBPRGKRZSA-N 1 2 304.777 4.441 20 5 DIBDLO Cc1c(C[NH2+][C@@H](c2ccco2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000326281335 1052463752 /nfs/dbraw/zinc/46/37/52/1052463752.db2.gz LGSMIGYUZPVOEB-LJQANCHMSA-N 1 2 322.364 4.375 20 5 DIBDLO Cc1ccc(C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)o1 ZINC000609705210 1052988509 /nfs/dbraw/zinc/98/85/09/1052988509.db2.gz GEEJUTCCISTLQV-UHFFFAOYSA-N 1 2 320.776 4.314 20 5 DIBDLO Cc1ccc(C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)o1 ZINC000609705210 1052988512 /nfs/dbraw/zinc/98/85/12/1052988512.db2.gz GEEJUTCCISTLQV-UHFFFAOYSA-N 1 2 320.776 4.314 20 5 DIBDLO CCCCNc1[nH+]c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000849478589 1053094536 /nfs/dbraw/zinc/09/45/36/1053094536.db2.gz ZHBVHWXTXUVDEC-UHFFFAOYSA-N 1 2 324.384 4.205 20 5 DIBDLO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000182433003 1053434150 /nfs/dbraw/zinc/43/41/50/1053434150.db2.gz OCSOAWXSKMEOKP-NEPJUHHUSA-N 1 2 311.341 4.148 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@H]1CCc3cc(Cl)ccc31)C2 ZINC001321871815 1053438409 /nfs/dbraw/zinc/43/84/09/1053438409.db2.gz YVVFROKVUVRFMW-KRWDZBQOSA-N 1 2 314.772 4.251 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+]([C@H]1CCc3cc(Cl)ccc31)C2 ZINC001321871815 1053438414 /nfs/dbraw/zinc/43/84/14/1053438414.db2.gz YVVFROKVUVRFMW-KRWDZBQOSA-N 1 2 314.772 4.251 20 5 DIBDLO CC(C)(C)[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000553598530 1056207028 /nfs/dbraw/zinc/20/70/28/1056207028.db2.gz POWXYOXSNVAHAL-KRWDZBQOSA-N 1 2 314.385 4.177 20 5 DIBDLO CCc1cc(N[C@H](CC)c2cccc([N+](=O)[O-])c2)nc(CC)[nH+]1 ZINC001612149117 1056245954 /nfs/dbraw/zinc/24/59/54/1056245954.db2.gz VIQLTXMIAMZCCG-OAHLLOKOSA-N 1 2 314.389 4.073 20 5 DIBDLO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc([N+](=O)[O-])cc1 ZINC000154837028 1057038008 /nfs/dbraw/zinc/03/80/08/1057038008.db2.gz GAKMBTYIYWQACD-CYBMUJFWSA-N 1 2 323.352 4.101 20 5 DIBDLO C[C@H]1c2ccccc2CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001559589450 1059421517 /nfs/dbraw/zinc/42/15/17/1059421517.db2.gz BJXQWPYZQMWKSE-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001559589450 1059421527 /nfs/dbraw/zinc/42/15/27/1059421527.db2.gz BJXQWPYZQMWKSE-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H]1c2sccc2CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001560113108 1059923223 /nfs/dbraw/zinc/92/32/23/1059923223.db2.gz YOLIIDNITWANCT-SNVBAGLBSA-N 1 2 322.817 4.429 20 5 DIBDLO C[C@@H]1c2sccc2CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001560113108 1059923237 /nfs/dbraw/zinc/92/32/37/1059923237.db2.gz YOLIIDNITWANCT-SNVBAGLBSA-N 1 2 322.817 4.429 20 5 DIBDLO Cc1ncc([N+](=O)[O-])cc1Nc1ccc([NH+]2CCCCC2)cc1 ZINC001249548739 1060283556 /nfs/dbraw/zinc/28/35/56/1060283556.db2.gz RSNKCIISCRYPQP-UHFFFAOYSA-N 1 2 312.373 4.032 20 5 DIBDLO CC(C)Cc1ccccc1C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001473202812 1060964091 /nfs/dbraw/zinc/96/40/91/1060964091.db2.gz ZEHMULQCVBCAKU-UHFFFAOYSA-N 1 2 310.397 4.309 20 5 DIBDLO CC(C)Cc1ccccc1C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001473202812 1060964114 /nfs/dbraw/zinc/96/41/14/1060964114.db2.gz ZEHMULQCVBCAKU-UHFFFAOYSA-N 1 2 310.397 4.309 20 5 DIBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001473208678 1060973857 /nfs/dbraw/zinc/97/38/57/1060973857.db2.gz SQZBSHVVAMFRPS-YVEFUNNKSA-N 1 2 316.788 4.441 20 5 DIBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001473208678 1060973876 /nfs/dbraw/zinc/97/38/76/1060973876.db2.gz SQZBSHVVAMFRPS-YVEFUNNKSA-N 1 2 316.788 4.441 20 5 DIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC001473280739 1061050882 /nfs/dbraw/zinc/05/08/82/1061050882.db2.gz VAAVAXGLAVMAKX-MRXNPFEDSA-N 1 2 318.417 4.235 20 5 DIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC001473280739 1061050899 /nfs/dbraw/zinc/05/08/99/1061050899.db2.gz VAAVAXGLAVMAKX-MRXNPFEDSA-N 1 2 318.417 4.235 20 5 DIBDLO Cc1cc(-c2[nH]c3ccc(N4CCCC4)cc3[nH+]2)ccc1[N+](=O)[O-] ZINC001250855669 1061096092 /nfs/dbraw/zinc/09/60/92/1061096092.db2.gz NINMHIJPDORTQH-UHFFFAOYSA-N 1 2 322.368 4.047 20 5 DIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC2(CCCCC2)CC1 ZINC001473384337 1061128077 /nfs/dbraw/zinc/12/80/77/1061128077.db2.gz QJEAOBJRINCHMQ-UHFFFAOYSA-N 1 2 318.417 4.237 20 5 DIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC2(CCCCC2)CC1 ZINC001473384337 1061128088 /nfs/dbraw/zinc/12/80/88/1061128088.db2.gz QJEAOBJRINCHMQ-UHFFFAOYSA-N 1 2 318.417 4.237 20 5 DIBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001459605238 1062240777 /nfs/dbraw/zinc/24/07/77/1062240777.db2.gz CITCTPQZKZLODI-SJKOYZFVSA-N 1 2 316.788 4.441 20 5 DIBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001459605238 1062240788 /nfs/dbraw/zinc/24/07/88/1062240788.db2.gz CITCTPQZKZLODI-SJKOYZFVSA-N 1 2 316.788 4.441 20 5 DIBDLO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC001459903074 1062487456 /nfs/dbraw/zinc/48/74/56/1062487456.db2.gz KYPSJMBSZFXIGR-SECBINFHSA-N 1 2 319.411 4.117 20 5 DIBDLO O=[N+]([O-])c1ccc(Nc2ccc([NH+]3CCCCC3)cc2)c(F)c1 ZINC001306914984 1064718042 /nfs/dbraw/zinc/71/80/42/1064718042.db2.gz YKHFKRYDXASCNE-UHFFFAOYSA-N 1 2 315.348 4.468 20 5 DIBDLO Cc1cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2)nc(C2CCC2)[nH+]1 ZINC001306936484 1065211414 /nfs/dbraw/zinc/21/14/14/1065211414.db2.gz QJNDASKYIWJKFU-LBPRGKRZSA-N 1 2 312.373 4.134 20 5 DIBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC001307514538 1065453540 /nfs/dbraw/zinc/45/35/40/1065453540.db2.gz SDTPNUXIQFLZLW-SJKOYZFVSA-N 1 2 316.788 4.441 20 5 DIBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 ZINC001307514538 1065453545 /nfs/dbraw/zinc/45/35/45/1065453545.db2.gz SDTPNUXIQFLZLW-SJKOYZFVSA-N 1 2 316.788 4.441 20 5 DIBDLO CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000076900454 185052128 /nfs/dbraw/zinc/05/21/28/185052128.db2.gz QLEFZQNBYXBLPH-LLVKDONJSA-N 1 2 305.403 4.026 20 5 DIBDLO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(C(F)F)CC2)s1 ZINC000500474925 333244564 /nfs/dbraw/zinc/24/45/64/333244564.db2.gz JPAKDFXIAWKPJR-UHFFFAOYSA-N 1 2 324.352 4.211 20 5 DIBDLO CC[C@@H](CC(F)(F)F)Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413224303 333838310 /nfs/dbraw/zinc/83/83/10/333838310.db2.gz DRSSKDQAROGMCM-JTQLQIEISA-N 1 2 313.279 4.286 20 5 DIBDLO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000103465134 336241129 /nfs/dbraw/zinc/24/11/29/336241129.db2.gz LOBLSCOLUPUOIM-SNVBAGLBSA-N 1 2 308.740 4.238 20 5 DIBDLO Cc1cc(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000301624474 336319036 /nfs/dbraw/zinc/31/90/36/336319036.db2.gz AIOLVMDCOYUJGV-ZDUSSCGKSA-N 1 2 314.389 4.298 20 5 DIBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccncc1Cl ZINC000173572286 337136531 /nfs/dbraw/zinc/13/65/31/337136531.db2.gz JILDFBJJGHKNIU-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccncc1Cl ZINC000173572286 337136532 /nfs/dbraw/zinc/13/65/32/337136532.db2.gz JILDFBJJGHKNIU-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO O=[N+]([O-])c1cccc(-c2ccc(CNc3cc[nH+]cc3F)o2)c1 ZINC000192150537 337303297 /nfs/dbraw/zinc/30/32/97/337303297.db2.gz ISIQIBAEAZEHAI-UHFFFAOYSA-N 1 2 313.288 4.001 20 5 DIBDLO CC(C)c1ccc(C[NH2+][C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000106250758 337814765 /nfs/dbraw/zinc/81/47/65/337814765.db2.gz IQKRAJLOOAOXLS-NSHDSACASA-N 1 2 305.403 4.026 20 5 DIBDLO O=[N+]([O-])c1ccc2sc(/C=C\c3cccc4[nH+]ccn43)nc2c1 ZINC000433758680 338200916 /nfs/dbraw/zinc/20/09/16/338200916.db2.gz NQSJGRKAOCGAJQ-ALCCZGGFSA-N 1 2 322.349 4.023 20 5 DIBDLO COC[C@H](C)Sc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000463047309 339103087 /nfs/dbraw/zinc/10/30/87/339103087.db2.gz GFYOOTTVPYIAEW-LBPRGKRZSA-N 1 2 323.421 4.163 20 5 DIBDLO C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000464724170 339150016 /nfs/dbraw/zinc/15/00/16/339150016.db2.gz FHMCGMINRYPYRK-XHDPSFHLSA-N 1 2 320.389 4.379 20 5 DIBDLO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000464724170 339150017 /nfs/dbraw/zinc/15/00/17/339150017.db2.gz FHMCGMINRYPYRK-XHDPSFHLSA-N 1 2 320.389 4.379 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000492060573 339890304 /nfs/dbraw/zinc/89/03/04/339890304.db2.gz JCPGRVNYYFNXBC-UHFFFAOYSA-N 1 2 320.751 4.166 20 5 DIBDLO O=[N+]([O-])c1cc(Cl)ccc1CSc1[nH+]cc2ccccn21 ZINC000501150964 340075151 /nfs/dbraw/zinc/07/51/51/340075151.db2.gz UWZJXMKURXEFRL-UHFFFAOYSA-N 1 2 319.773 4.188 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000505608476 340172765 /nfs/dbraw/zinc/17/27/65/340172765.db2.gz IYSBHAVPBVOJNT-INIZCTEOSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000505608476 340172766 /nfs/dbraw/zinc/17/27/66/340172766.db2.gz IYSBHAVPBVOJNT-INIZCTEOSA-N 1 2 318.323 4.210 20 5 DIBDLO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505615463 340173128 /nfs/dbraw/zinc/17/31/28/340173128.db2.gz ZSAUSBUGPKWQKQ-JTQLQIEISA-N 1 2 324.302 4.205 20 5 DIBDLO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505615463 340173129 /nfs/dbraw/zinc/17/31/29/340173129.db2.gz ZSAUSBUGPKWQKQ-JTQLQIEISA-N 1 2 324.302 4.205 20 5 DIBDLO CC(C)[N@H+](Cc1ccccc1F)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505791606 340178165 /nfs/dbraw/zinc/17/81/65/340178165.db2.gz WNYHPDOYSGJLQT-UHFFFAOYSA-N 1 2 320.339 4.284 20 5 DIBDLO CC(C)[N@@H+](Cc1ccccc1F)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505791606 340178166 /nfs/dbraw/zinc/17/81/66/340178166.db2.gz WNYHPDOYSGJLQT-UHFFFAOYSA-N 1 2 320.339 4.284 20 5 DIBDLO C[N@H+](Cc1cccc(Cl)c1F)Cc1ccccc1[N+](=O)[O-] ZINC000507115120 340207887 /nfs/dbraw/zinc/20/78/87/340207887.db2.gz DWFAGQYOXAINMA-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1cccc(Cl)c1F)Cc1ccccc1[N+](=O)[O-] ZINC000507115120 340207888 /nfs/dbraw/zinc/20/78/88/340207888.db2.gz DWFAGQYOXAINMA-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cccc(F)c2F)C2CC2)c1 ZINC000507156184 340209992 /nfs/dbraw/zinc/20/99/92/340209992.db2.gz RQURLWRWINFOCE-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cccc(F)c2F)C2CC2)c1 ZINC000507156184 340209993 /nfs/dbraw/zinc/20/99/93/340209993.db2.gz RQURLWRWINFOCE-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO C[C@@H](c1cccs1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509292843 340265492 /nfs/dbraw/zinc/26/54/92/340265492.db2.gz BXWYKVFSITXSRZ-VIFPVBQESA-N 1 2 312.341 4.128 20 5 DIBDLO C[C@@H](c1cccs1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509292843 340265493 /nfs/dbraw/zinc/26/54/93/340265493.db2.gz BXWYKVFSITXSRZ-VIFPVBQESA-N 1 2 312.341 4.128 20 5 DIBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2c2cccs2)c(F)c1 ZINC000509834930 340281111 /nfs/dbraw/zinc/28/11/11/340281111.db2.gz BVKGQSLCNOSIQN-AWEZNQCLSA-N 1 2 324.352 4.272 20 5 DIBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]2c2cccs2)c(F)c1 ZINC000509834930 340281112 /nfs/dbraw/zinc/28/11/12/340281112.db2.gz BVKGQSLCNOSIQN-AWEZNQCLSA-N 1 2 324.352 4.272 20 5 DIBDLO Cc1[nH+]c(C(C)C)ccc1COc1ccc([N+](=O)[O-])cc1F ZINC000549348332 341291986 /nfs/dbraw/zinc/29/19/86/341291986.db2.gz FGLGSHFINHNBEM-UHFFFAOYSA-N 1 2 304.321 4.140 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1c(F)cccc1F ZINC000549947069 341307706 /nfs/dbraw/zinc/30/77/06/341307706.db2.gz KYIBVYOJORBHFC-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1c(F)cccc1F ZINC000549947069 341307707 /nfs/dbraw/zinc/30/77/07/341307707.db2.gz KYIBVYOJORBHFC-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000266481317 522424199 /nfs/dbraw/zinc/42/41/99/522424199.db2.gz QEDRZGTZCPNABJ-WDEREUQCSA-N 1 2 305.403 4.026 20 5 DIBDLO CCc1nc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000173408773 522453770 /nfs/dbraw/zinc/45/37/70/522453770.db2.gz NRGBVLIOIVMZLG-MNOVXSKESA-N 1 2 305.403 4.026 20 5 DIBDLO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000266517624 522741739 /nfs/dbraw/zinc/74/17/39/522741739.db2.gz YVEWKEBOPLFNMU-YPMHNXCESA-N 1 2 305.403 4.162 20 5 DIBDLO COc1ccc([N+](=O)[O-])cc1OCc1ccc(C(C)C)[nH+]c1C ZINC000338517493 525472491 /nfs/dbraw/zinc/47/24/91/525472491.db2.gz SJEBSHMJJLOIDS-UHFFFAOYSA-N 1 2 316.357 4.009 20 5 DIBDLO C[C@H](c1ccco1)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000119208817 1037207549 /nfs/dbraw/zinc/20/75/49/1037207549.db2.gz QAAPQWWTVWPGMP-LLVKDONJSA-N 1 2 304.321 4.053 20 5 DIBDLO C[C@H](c1ccco1)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000119208817 1037207574 /nfs/dbraw/zinc/20/75/74/1037207574.db2.gz QAAPQWWTVWPGMP-LLVKDONJSA-N 1 2 304.321 4.053 20 5 DIBDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000171591266 1038448573 /nfs/dbraw/zinc/44/85/73/1038448573.db2.gz QWEGIKCJFCVGDR-JTQLQIEISA-N 1 2 323.393 4.000 20 5 DIBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000171591266 1038448580 /nfs/dbraw/zinc/44/85/80/1038448580.db2.gz QWEGIKCJFCVGDR-JTQLQIEISA-N 1 2 323.393 4.000 20 5 DIBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000171591263 1038449151 /nfs/dbraw/zinc/44/91/51/1038449151.db2.gz QWEGIKCJFCVGDR-SNVBAGLBSA-N 1 2 323.393 4.000 20 5 DIBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])s1 ZINC000171591263 1038449157 /nfs/dbraw/zinc/44/91/57/1038449157.db2.gz QWEGIKCJFCVGDR-SNVBAGLBSA-N 1 2 323.393 4.000 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2ccsc2Cl)c1 ZINC000312777514 1039937023 /nfs/dbraw/zinc/93/70/23/1039937023.db2.gz IFYYBZKIHSFYEO-UHFFFAOYSA-N 1 2 317.197 4.253 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000493002680 1040053769 /nfs/dbraw/zinc/05/37/69/1040053769.db2.gz JWYCUYWBTBWJMZ-HNNXBMFYSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000493002680 1040053788 /nfs/dbraw/zinc/05/37/88/1040053788.db2.gz JWYCUYWBTBWJMZ-HNNXBMFYSA-N 1 2 302.761 4.195 20 5 DIBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000418117424 1041725977 /nfs/dbraw/zinc/72/59/77/1041725977.db2.gz TUAWGJHNFMGEQZ-LBPRGKRZSA-N 1 2 312.369 4.029 20 5 DIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000815649990 1041984269 /nfs/dbraw/zinc/98/42/69/1041984269.db2.gz DXCXBZYIZLDUOT-SNVBAGLBSA-N 1 2 324.302 4.171 20 5 DIBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000266496509 1042973680 /nfs/dbraw/zinc/97/36/80/1042973680.db2.gz UIOZXHKLTGZUDJ-QWRGUYRKSA-N 1 2 306.312 4.285 20 5 DIBDLO O=[N+]([O-])c1cccc(CNc2ccc([N@@H+]3C[C@H]4CC[C@@H]3C4)cc2)c1 ZINC000192215424 1043267043 /nfs/dbraw/zinc/26/70/43/1043267043.db2.gz QGFBTDULQZDFDQ-MAUKXSAKSA-N 1 2 323.396 4.196 20 5 DIBDLO O=[N+]([O-])c1cccc(CNc2ccc([N@H+]3C[C@H]4CC[C@@H]3C4)cc2)c1 ZINC000192215424 1043267047 /nfs/dbraw/zinc/26/70/47/1043267047.db2.gz QGFBTDULQZDFDQ-MAUKXSAKSA-N 1 2 323.396 4.196 20 5 DIBDLO Cc1nc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000268866452 1043337629 /nfs/dbraw/zinc/33/76/29/1043337629.db2.gz FOYWYISMCDMSSD-WDEREUQCSA-N 1 2 305.403 4.080 20 5 DIBDLO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025446 1043423742 /nfs/dbraw/zinc/42/37/42/1043423742.db2.gz MZGIUCOGIUREAA-MDZLAQPJSA-N 1 2 318.348 4.301 20 5 DIBDLO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000354025407 1043674707 /nfs/dbraw/zinc/67/47/07/1043674707.db2.gz DCQHSFDPXVOQKE-DGCLKSJQSA-N 1 2 306.387 4.223 20 5 DIBDLO C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000354025407 1043674713 /nfs/dbraw/zinc/67/47/13/1043674713.db2.gz DCQHSFDPXVOQKE-DGCLKSJQSA-N 1 2 306.387 4.223 20 5 DIBDLO O=[N+]([O-])c1cccnc1Nc1ccc([NH2+]CC2CCCC2)cc1 ZINC000523241868 1044572596 /nfs/dbraw/zinc/57/25/96/1044572596.db2.gz PLEQGWUZWZGHCY-UHFFFAOYSA-N 1 2 312.373 4.336 20 5 DIBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ncc(C(C)(C)C)o1 ZINC000296532651 1044625613 /nfs/dbraw/zinc/62/56/13/1044625613.db2.gz DGSKOIYHUPOWDB-RYUDHWBXSA-N 1 2 317.389 4.292 20 5 DIBDLO O=[N+]([O-])c1cccc(SCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000337939680 1044966277 /nfs/dbraw/zinc/96/62/77/1044966277.db2.gz ZNCUDNXBJGBLSU-UHFFFAOYSA-N 1 2 311.366 4.073 20 5 DIBDLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000048609621 1045248662 /nfs/dbraw/zinc/24/86/62/1045248662.db2.gz RMPIQICVHZHWAR-LBPRGKRZSA-N 1 2 308.428 4.227 20 5 DIBDLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000048609621 1045248673 /nfs/dbraw/zinc/24/86/73/1045248673.db2.gz RMPIQICVHZHWAR-LBPRGKRZSA-N 1 2 308.428 4.227 20 5 DIBDLO Cc1cc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)oc1C ZINC000800482434 1045625019 /nfs/dbraw/zinc/62/50/19/1045625019.db2.gz SWMIXOFRWBXHDS-JTQLQIEISA-N 1 2 308.765 4.309 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451833127 1045732074 /nfs/dbraw/zinc/73/20/74/1045732074.db2.gz HPDDMZYQCRHQEV-CXAGYDPISA-N 1 2 312.369 4.476 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451833127 1045732085 /nfs/dbraw/zinc/73/20/85/1045732085.db2.gz HPDDMZYQCRHQEV-CXAGYDPISA-N 1 2 312.369 4.476 20 5 DIBDLO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1(c2ccccc2Cl)CC1 ZINC000829475347 1045978264 /nfs/dbraw/zinc/97/82/64/1045978264.db2.gz OXTHRDLGDVOWPS-UHFFFAOYSA-N 1 2 320.751 4.166 20 5 DIBDLO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000052075164 1046358745 /nfs/dbraw/zinc/35/87/45/1046358745.db2.gz AATBXEDGUPSOTF-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000052075164 1046358755 /nfs/dbraw/zinc/35/87/55/1046358755.db2.gz AATBXEDGUPSOTF-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000748819935 1046405680 /nfs/dbraw/zinc/40/56/80/1046405680.db2.gz RDZWQHGGGMKHAL-IINYFYTJSA-N 1 2 320.776 4.254 20 5 DIBDLO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1Cl ZINC000094774435 1046685702 /nfs/dbraw/zinc/68/57/02/1046685702.db2.gz LDRIWECIKPIRAG-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccc1Cl ZINC000094774435 1046685706 /nfs/dbraw/zinc/68/57/06/1046685706.db2.gz LDRIWECIKPIRAG-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO CC[N@@H+](c1ccc(Nc2ncc([N+](=O)[O-])s2)cc1)C(C)C ZINC000799923816 1047075817 /nfs/dbraw/zinc/07/58/17/1047075817.db2.gz BVSIQJHNCBCPIW-UHFFFAOYSA-N 1 2 306.391 4.030 20 5 DIBDLO CC[N@H+](c1ccc(Nc2ncc([N+](=O)[O-])s2)cc1)C(C)C ZINC000799923816 1047075828 /nfs/dbraw/zinc/07/58/28/1047075828.db2.gz BVSIQJHNCBCPIW-UHFFFAOYSA-N 1 2 306.391 4.030 20 5 DIBDLO O=[N+]([O-])c1ccc(CNc2ccc3c(c2)CCC[NH2+]3)cc1Cl ZINC000841037423 1047373488 /nfs/dbraw/zinc/37/34/88/1047373488.db2.gz SVCGAPHNHUOZIT-UHFFFAOYSA-N 1 2 317.776 4.218 20 5 DIBDLO CC(C)(C)C(=[NH2+])Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001155181786 1047671021 /nfs/dbraw/zinc/67/10/21/1047671021.db2.gz QIGBCBXWQNSZIA-UHFFFAOYSA-N 1 2 316.336 4.231 20 5 DIBDLO CC(C)n1c[nH+]cc1CNc1ccc2ccc3cccnc3c2n1 ZINC001161563328 1048138650 /nfs/dbraw/zinc/13/86/50/1048138650.db2.gz ZIYVJTKWJHCLKD-UHFFFAOYSA-N 1 2 317.396 4.173 20 5 DIBDLO CCc1cc(N[C@@H](CC)c2cccc([N+](=O)[O-])c2)nc(CC)[nH+]1 ZINC001185979929 1048249197 /nfs/dbraw/zinc/24/91/97/1048249197.db2.gz VIQLTXMIAMZCCG-HNNXBMFYSA-N 1 2 314.389 4.073 20 5 DIBDLO c1[nH]nc2ncc(Nc3ccc4[nH+]c5ccccc5cc4c3)cc12 ZINC001175404945 1048298982 /nfs/dbraw/zinc/29/89/82/1048298982.db2.gz QOVVIWKBZJZDGR-UHFFFAOYSA-N 1 2 311.348 4.403 20 5 DIBDLO CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001180431019 1049355932 /nfs/dbraw/zinc/35/59/32/1049355932.db2.gz UDNSJXAVRWGUPA-UHFFFAOYSA-N 1 2 303.189 4.134 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccc(F)cc1F ZINC000489116015 1049728513 /nfs/dbraw/zinc/72/85/13/1049728513.db2.gz WQIYCEHMKFGQFN-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccc(F)cc1F ZINC000489116015 1049728524 /nfs/dbraw/zinc/72/85/24/1049728524.db2.gz 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C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595706295 1050662891 /nfs/dbraw/zinc/66/28/91/1050662891.db2.gz YIVRWSBZAKLOHF-WBMJQRKESA-N 1 2 300.333 4.242 20 5 DIBDLO Cc1c[nH+]cc(Nc2c(N)c3cccnc3c3ncccc32)c1C ZINC001213532554 1050682108 /nfs/dbraw/zinc/68/21/08/1050682108.db2.gz NXARAPJAAUSQHF-UHFFFAOYSA-N 1 2 315.380 4.121 20 5 DIBDLO C[N@H+](C/C=C/c1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000788464904 1050682773 /nfs/dbraw/zinc/68/27/73/1050682773.db2.gz SXBQPQJKQNQNJO-VMPITWQZSA-N 1 2 316.788 4.393 20 5 DIBDLO C[N@@H+](C/C=C/c1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000788464904 1050682781 /nfs/dbraw/zinc/68/27/81/1050682781.db2.gz SXBQPQJKQNQNJO-VMPITWQZSA-N 1 2 316.788 4.393 20 5 DIBDLO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788478364 1050688687 /nfs/dbraw/zinc/68/86/87/1050688687.db2.gz IGDRLXPIPLCSAH-JTQLQIEISA-N 1 2 324.302 4.205 20 5 DIBDLO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788478364 1050688692 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O=[N+]([O-])c1ccccc1[C@@H](Oc1cc[nH+]cc1)c1ccccc1 ZINC001225296245 1052770493 /nfs/dbraw/zinc/77/04/93/1052770493.db2.gz SFCJNGDJXHMPMK-SFHVURJKSA-N 1 2 306.321 4.158 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1cc3ccccc3s1)C2 ZINC001319715403 1053267026 /nfs/dbraw/zinc/26/70/26/1053267026.db2.gz AGODQTVODDKNKD-UHFFFAOYSA-N 1 2 310.378 4.325 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1cc3ccccc3s1)C2 ZINC001319715403 1053267037 /nfs/dbraw/zinc/26/70/37/1053267037.db2.gz AGODQTVODDKNKD-UHFFFAOYSA-N 1 2 310.378 4.325 20 5 DIBDLO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000182433022 1053433413 /nfs/dbraw/zinc/43/34/13/1053433413.db2.gz OCSOAWXSKMEOKP-NWDGAFQWSA-N 1 2 311.341 4.148 20 5 DIBDLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000183493114 1053665962 /nfs/dbraw/zinc/66/59/62/1053665962.db2.gz WDWWHGVQSONUGQ-HZMBPMFUSA-N 1 2 320.776 4.254 20 5 DIBDLO C[C@@H](Oc1ccc(-c2c[nH+]cn2C)cc1)c1ccccc1[N+](=O)[O-] ZINC001231083951 1053672214 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DIBDLO Cc1cc2ccccc2[nH+]c1N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000301837807 336333409 /nfs/dbraw/zinc/33/34/09/336333409.db2.gz WHWMIDGALOCZBS-UHFFFAOYSA-N 1 2 319.364 4.014 20 5 DIBDLO O=[N+]([O-])c1ccc(-c2ccc(CNc3cc[nH+]cc3F)o2)cc1 ZINC000186425764 337256042 /nfs/dbraw/zinc/25/60/42/337256042.db2.gz JWIFWZOSQXXISA-UHFFFAOYSA-N 1 2 313.288 4.001 20 5 DIBDLO Cc1ccoc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000426328594 338027191 /nfs/dbraw/zinc/02/71/91/338027191.db2.gz YOFZFOAQSCTZNA-IBGZPJMESA-N 1 2 322.364 4.375 20 5 DIBDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000464724167 339150091 /nfs/dbraw/zinc/15/00/91/339150091.db2.gz FHMCGMINRYPYRK-ABAIWWIYSA-N 1 2 320.389 4.379 20 5 DIBDLO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000464724167 339150092 /nfs/dbraw/zinc/15/00/92/339150092.db2.gz FHMCGMINRYPYRK-ABAIWWIYSA-N 1 2 320.389 4.379 20 5 DIBDLO O=[N+]([O-])c1ccc(CNc2[nH+]cccc2-c2ccccc2)c(F)c1 ZINC000466638245 339211447 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DIBDLO C[C@@H](c1ccccc1)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000505777564 340177558 /nfs/dbraw/zinc/17/75/58/340177558.db2.gz PPWXKZGZIKBJKT-ZDUSSCGKSA-N 1 2 314.360 4.460 20 5 DIBDLO C[C@@H](c1ccccc1)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000505777564 340177559 /nfs/dbraw/zinc/17/75/59/340177559.db2.gz PPWXKZGZIKBJKT-ZDUSSCGKSA-N 1 2 314.360 4.460 20 5 DIBDLO CO[C@H](C)CSc1nc2ccccc2c2[nH+]c3ccccc3n21 ZINC000542939715 341026867 /nfs/dbraw/zinc/02/68/67/341026867.db2.gz NJORZBLLVNBWGN-GFCCVEGCSA-N 1 2 323.421 4.163 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@H]2c2ccccc2)cs1 ZINC000552085889 341368510 /nfs/dbraw/zinc/36/85/10/341368510.db2.gz QIWNONCWZQWYSJ-MRXNPFEDSA-N 1 2 314.410 4.384 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)cs1 ZINC000552085889 341368511 /nfs/dbraw/zinc/36/85/11/341368511.db2.gz QIWNONCWZQWYSJ-MRXNPFEDSA-N 1 2 314.410 4.384 20 5 DIBDLO C[C@@H]([NH2+]CC(F)(F)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000555003347 341472405 /nfs/dbraw/zinc/47/24/05/341472405.db2.gz UQDRYJHMGNXDEY-GFCCVEGCSA-N 1 2 306.312 4.037 20 5 DIBDLO CC(C)c1ccc(C[NH2+][C@@H](C)c2cscn2)cc1[N+](=O)[O-] ZINC000565244950 341521121 /nfs/dbraw/zinc/52/11/21/341521121.db2.gz USFJCUSXJSPGBT-NSHDSACASA-N 1 2 305.403 4.026 20 5 DIBDLO CCCc1nc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000181807557 521515550 /nfs/dbraw/zinc/51/55/50/521515550.db2.gz ADXARUUAFWEOME-LBPRGKRZSA-N 1 2 319.430 4.163 20 5 DIBDLO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001211286427 1037274870 /nfs/dbraw/zinc/27/48/70/1037274870.db2.gz UFCWLVBNZFNUBG-UHFFFAOYSA-N 1 2 312.373 4.032 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505506 1037619329 /nfs/dbraw/zinc/61/93/29/1037619329.db2.gz MWUPWDLOVUEYJQ-MLGOLLRUSA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505506 1037619334 /nfs/dbraw/zinc/61/93/34/1037619334.db2.gz MWUPWDLOVUEYJQ-MLGOLLRUSA-N 1 2 300.333 4.242 20 5 DIBDLO CCCc1csc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000492310202 1039948005 /nfs/dbraw/zinc/94/80/05/1039948005.db2.gz GJOVSSQAWQEOPV-UHFFFAOYSA-N 1 2 319.430 4.029 20 5 DIBDLO Cc1c([C@H](C)[NH2+]Cc2c(F)cc(F)cc2F)cccc1[N+](=O)[O-] ZINC000815650274 1041985168 /nfs/dbraw/zinc/98/51/68/1041985168.db2.gz NHLLXRVJQIBPLH-JTQLQIEISA-N 1 2 324.302 4.171 20 5 DIBDLO C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000279218559 1042283258 /nfs/dbraw/zinc/28/32/58/1042283258.db2.gz WYZHMAQGSTWMBI-NSHDSACASA-N 1 2 319.430 4.200 20 5 DIBDLO C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000279218557 1042283705 /nfs/dbraw/zinc/28/37/05/1042283705.db2.gz WYZHMAQGSTWMBI-LLVKDONJSA-N 1 2 319.430 4.200 20 5 DIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000517123925 1042868809 /nfs/dbraw/zinc/86/88/09/1042868809.db2.gz BHVMVRLNWIFBBC-ZDUSSCGKSA-N 1 2 318.373 4.168 20 5 DIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000517123925 1042868816 /nfs/dbraw/zinc/86/88/16/1042868816.db2.gz BHVMVRLNWIFBBC-ZDUSSCGKSA-N 1 2 318.373 4.168 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cs1 ZINC000054173454 1042925436 /nfs/dbraw/zinc/92/54/36/1042925436.db2.gz CMBOAMNZYYVMNI-CQSZACIVSA-N 1 2 306.362 4.133 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cs1 ZINC000054173454 1042925439 /nfs/dbraw/zinc/92/54/39/1042925439.db2.gz CMBOAMNZYYVMNI-CQSZACIVSA-N 1 2 306.362 4.133 20 5 DIBDLO CCc1nc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000178655386 1043134555 /nfs/dbraw/zinc/13/45/55/1043134555.db2.gz KTKGXFWKGGOPKZ-QWRGUYRKSA-N 1 2 305.403 4.026 20 5 DIBDLO CC(C)c1nc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC000184721978 1043188127 /nfs/dbraw/zinc/18/81/27/1043188127.db2.gz UGUPWMTWQWMMQO-NSHDSACASA-N 1 2 305.403 4.026 20 5 DIBDLO CC(C)c1nc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC000184721962 1043188548 /nfs/dbraw/zinc/18/85/48/1043188548.db2.gz UGUPWMTWQWMMQO-LLVKDONJSA-N 1 2 305.403 4.026 20 5 DIBDLO C[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000872054415 1043437795 /nfs/dbraw/zinc/43/77/95/1043437795.db2.gz VNYWSWGEWREAEU-UWVGGRQHSA-N 1 2 324.302 4.424 20 5 DIBDLO CC(C)c1cnc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000873183531 1043524343 /nfs/dbraw/zinc/52/43/43/1043524343.db2.gz UXGAPCVLLFNCNW-NSHDSACASA-N 1 2 305.403 4.026 20 5 DIBDLO CCCCc1nc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000932180643 1044107232 /nfs/dbraw/zinc/10/72/32/1044107232.db2.gz BIAOLKUQOUVUCW-GFCCVEGCSA-N 1 2 319.430 4.245 20 5 DIBDLO Cc1ccc(F)c(C[N@@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000444728847 1044610965 /nfs/dbraw/zinc/61/09/65/1044610965.db2.gz CFYXCKJRWHRRPB-CYBMUJFWSA-N 1 2 302.349 4.235 20 5 DIBDLO Cc1ccc(F)c(C[N@H+](C)[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000444728847 1044610973 /nfs/dbraw/zinc/61/09/73/1044610973.db2.gz CFYXCKJRWHRRPB-CYBMUJFWSA-N 1 2 302.349 4.235 20 5 DIBDLO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cscn1 ZINC000568783103 1044648313 /nfs/dbraw/zinc/64/83/13/1044648313.db2.gz MJUMWDSRJPRHJK-YGRLFVJLSA-N 1 2 317.414 4.125 20 5 DIBDLO Cc1ccc(C[N@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)cc1C ZINC000524619831 1044893689 /nfs/dbraw/zinc/89/36/89/1044893689.db2.gz KXCFYMSFICPBMQ-UHFFFAOYSA-N 1 2 316.426 4.438 20 5 DIBDLO Cc1ccc(C[N@@H+](Cc2csc([N+](=O)[O-])c2)C2CC2)cc1C ZINC000524619831 1044893700 /nfs/dbraw/zinc/89/37/00/1044893700.db2.gz KXCFYMSFICPBMQ-UHFFFAOYSA-N 1 2 316.426 4.438 20 5 DIBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000578966811 1045286025 /nfs/dbraw/zinc/28/60/25/1045286025.db2.gz IJTWMUSGSOGERN-GFCCVEGCSA-N 1 2 318.348 4.023 20 5 DIBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000578966811 1045286028 /nfs/dbraw/zinc/28/60/28/1045286028.db2.gz IJTWMUSGSOGERN-GFCCVEGCSA-N 1 2 318.348 4.023 20 5 DIBDLO CC[N@H+](CCC(F)(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000689122497 1046201572 /nfs/dbraw/zinc/20/15/72/1046201572.db2.gz OZSRARBSPIUSBG-UHFFFAOYSA-N 1 2 310.703 4.023 20 5 DIBDLO CC[N@@H+](CCC(F)(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000689122497 1046201581 /nfs/dbraw/zinc/20/15/81/1046201581.db2.gz OZSRARBSPIUSBG-UHFFFAOYSA-N 1 2 310.703 4.023 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000748819401 1046406228 /nfs/dbraw/zinc/40/62/28/1046406228.db2.gz GOLCKBDQJFPMFR-INIZCTEOSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000748819401 1046406235 /nfs/dbraw/zinc/40/62/35/1046406235.db2.gz GOLCKBDQJFPMFR-INIZCTEOSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000748819403 1046407144 /nfs/dbraw/zinc/40/71/44/1046407144.db2.gz GOLCKBDQJFPMFR-MRXNPFEDSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000748819403 1046407147 /nfs/dbraw/zinc/40/71/47/1046407147.db2.gz GOLCKBDQJFPMFR-MRXNPFEDSA-N 1 2 302.761 4.195 20 5 DIBDLO CC(C)([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000795953312 1046700551 /nfs/dbraw/zinc/70/05/51/1046700551.db2.gz PFJDRJCJRCJYKY-UHFFFAOYSA-N 1 2 324.302 4.037 20 5 DIBDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000491181435 1049889325 /nfs/dbraw/zinc/88/93/25/1049889325.db2.gz DLTRZNVXPKCKNI-SNVBAGLBSA-N 1 2 324.302 4.205 20 5 DIBDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000491181435 1049889330 /nfs/dbraw/zinc/88/93/30/1049889330.db2.gz DLTRZNVXPKCKNI-SNVBAGLBSA-N 1 2 324.302 4.205 20 5 DIBDLO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1F ZINC000593062435 1050362040 /nfs/dbraw/zinc/36/20/40/1050362040.db2.gz CLCVBKQFGNZCAT-HNNXBMFYSA-N 1 2 306.312 4.114 20 5 DIBDLO C[C@H](c1ccco1)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595380046 1050630950 /nfs/dbraw/zinc/63/09/50/1050630950.db2.gz JNJBTRYAZNWNQZ-LLVKDONJSA-N 1 2 304.321 4.053 20 5 DIBDLO C[C@H](c1ccco1)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595380046 1050630954 /nfs/dbraw/zinc/63/09/54/1050630954.db2.gz JNJBTRYAZNWNQZ-LLVKDONJSA-N 1 2 304.321 4.053 20 5 DIBDLO Cc1cc(C)c(Nc2cc3nc4ccccc4nc3cc2N)c[nH+]1 ZINC001213515820 1050677225 /nfs/dbraw/zinc/67/72/25/1050677225.db2.gz NLHXRQORNKRNSO-UHFFFAOYSA-N 1 2 315.380 4.121 20 5 DIBDLO Cc1cc(CNc2ccc(C(F)F)cc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000596278879 1050696039 /nfs/dbraw/zinc/69/60/39/1050696039.db2.gz JWVDKSQKKIFJAZ-UHFFFAOYSA-N 1 2 307.300 4.156 20 5 DIBDLO Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1[N+](=O)[O-] ZINC001213661763 1050713508 /nfs/dbraw/zinc/71/35/08/1050713508.db2.gz VMIKMCIUTMGPFI-UHFFFAOYSA-N 1 2 312.373 4.032 20 5 DIBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000601319098 1050787799 /nfs/dbraw/zinc/78/77/99/1050787799.db2.gz WPJDAGMTRIAACP-HZPDHXFCSA-N 1 2 318.323 4.022 20 5 DIBDLO CCc1ccc([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000773041956 1051033722 /nfs/dbraw/zinc/03/37/22/1051033722.db2.gz UQCSEQMBHOWEDQ-JTQLQIEISA-N 1 2 308.765 4.254 20 5 DIBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000791586234 1051064449 /nfs/dbraw/zinc/06/44/49/1051064449.db2.gz XMZIIGNDFAGHFQ-GZMMTYOYSA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000791586234 1051064460 /nfs/dbraw/zinc/06/44/60/1051064460.db2.gz XMZIIGNDFAGHFQ-GZMMTYOYSA-N 1 2 322.714 4.021 20 5 DIBDLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001171815049 1051228624 /nfs/dbraw/zinc/22/86/24/1051228624.db2.gz DIXOPTDQESBDIM-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001171815049 1051228638 /nfs/dbraw/zinc/22/86/38/1051228638.db2.gz DIXOPTDQESBDIM-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO OCC[N@@H+](Cc1c2ccccc2cc2ccccc21)CC(F)F ZINC000793308684 1051277348 /nfs/dbraw/zinc/27/73/48/1051277348.db2.gz WTLCFNMGAUEQLU-UHFFFAOYSA-N 1 2 315.363 4.052 20 5 DIBDLO OCC[N@H+](Cc1c2ccccc2cc2ccccc21)CC(F)F ZINC000793308684 1051277360 /nfs/dbraw/zinc/27/73/60/1051277360.db2.gz WTLCFNMGAUEQLU-UHFFFAOYSA-N 1 2 315.363 4.052 20 5 DIBDLO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1cccs1 ZINC000805840124 1051689125 /nfs/dbraw/zinc/68/91/25/1051689125.db2.gz LUDKNSCABQSDJC-OAHLLOKOSA-N 1 2 320.389 4.379 20 5 DIBDLO CC1(C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1c1cccs1 ZINC000805840124 1051689128 /nfs/dbraw/zinc/68/91/28/1051689128.db2.gz LUDKNSCABQSDJC-OAHLLOKOSA-N 1 2 320.389 4.379 20 5 DIBDLO Cc1ccsc1C[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494162480 1051701078 /nfs/dbraw/zinc/70/10/78/1051701078.db2.gz JWHDRYQQVAZXMJ-UHFFFAOYSA-N 1 2 310.806 4.250 20 5 DIBDLO Cc1ccsc1C[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494162480 1051701099 /nfs/dbraw/zinc/70/10/99/1051701099.db2.gz JWHDRYQQVAZXMJ-UHFFFAOYSA-N 1 2 310.806 4.250 20 5 DIBDLO Cc1cnc(Nc2ccc([NH+]3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000742428668 1051862201 /nfs/dbraw/zinc/86/22/01/1051862201.db2.gz HGHPYRXMZLDRQH-UHFFFAOYSA-N 1 2 312.373 4.032 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2sccc2Cl)C2CC2)cc1 ZINC000495068213 1052206800 /nfs/dbraw/zinc/20/68/00/1052206800.db2.gz QCJVJEBMNHIJMV-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2sccc2Cl)C2CC2)cc1 ZINC000495068213 1052206806 /nfs/dbraw/zinc/20/68/06/1052206806.db2.gz QCJVJEBMNHIJMV-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1Cl ZINC000487859825 1052255776 /nfs/dbraw/zinc/25/57/76/1052255776.db2.gz MMKSQVWYQJVRQC-GFCCVEGCSA-N 1 2 304.777 4.441 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1Cl ZINC000487859825 1052255787 /nfs/dbraw/zinc/25/57/87/1052255787.db2.gz MMKSQVWYQJVRQC-GFCCVEGCSA-N 1 2 304.777 4.441 20 5 DIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000917005881 1052679029 /nfs/dbraw/zinc/67/90/29/1052679029.db2.gz DTOYYZLFXAPQQP-MRXNPFEDSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000917005881 1052679034 /nfs/dbraw/zinc/67/90/34/1052679034.db2.gz DTOYYZLFXAPQQP-MRXNPFEDSA-N 1 2 318.323 4.210 20 5 DIBDLO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917006015 1052679593 /nfs/dbraw/zinc/67/95/93/1052679593.db2.gz GZIKPRMXWQRXGB-SNVBAGLBSA-N 1 2 324.302 4.205 20 5 DIBDLO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917006015 1052679600 /nfs/dbraw/zinc/67/96/00/1052679600.db2.gz GZIKPRMXWQRXGB-SNVBAGLBSA-N 1 2 324.302 4.205 20 5 DIBDLO O=[N+]([O-])c1ccccc1[C@H](Oc1cc[nH+]cc1)c1ccccc1 ZINC001225296244 1052770670 /nfs/dbraw/zinc/77/06/70/1052770670.db2.gz SFCJNGDJXHMPMK-GOSISDBHSA-N 1 2 306.321 4.158 20 5 DIBDLO C[C@@H](Oc1ccc(-c2c[nH+]cn2C)cc1)c1cccc([N+](=O)[O-])c1 ZINC001231083131 1053672099 /nfs/dbraw/zinc/67/20/99/1053672099.db2.gz CPYNGEXVMCIVOV-CYBMUJFWSA-N 1 2 323.352 4.135 20 5 DIBDLO CN[C@H]1CC[N@@H+]1Cc1c2ccccc2c2cc3ccccc3oc1-2 ZINC001236165881 1054977323 /nfs/dbraw/zinc/97/73/23/1054977323.db2.gz AWZJKXNGOZBZLR-HXUWFJFHSA-N 1 2 316.404 4.442 20 5 DIBDLO CN[C@H]1CC[N@H+]1Cc1c2ccccc2c2cc3ccccc3oc1-2 ZINC001236165881 1054977332 /nfs/dbraw/zinc/97/73/32/1054977332.db2.gz AWZJKXNGOZBZLR-HXUWFJFHSA-N 1 2 316.404 4.442 20 5 DIBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001473208675 1060972647 /nfs/dbraw/zinc/97/26/47/1060972647.db2.gz SQZBSHVVAMFRPS-PXAZEXFGSA-N 1 2 316.788 4.441 20 5 DIBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC001473208675 1060972662 /nfs/dbraw/zinc/97/26/62/1060972662.db2.gz SQZBSHVVAMFRPS-PXAZEXFGSA-N 1 2 316.788 4.441 20 5 DIBDLO Cc1cc(Cl)ccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001473219620 1060995640 /nfs/dbraw/zinc/99/56/40/1060995640.db2.gz KLKAFJDBFDCOHQ-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1cc(Cl)ccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001473219620 1060995665 /nfs/dbraw/zinc/99/56/65/1060995665.db2.gz KLKAFJDBFDCOHQ-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC001307920333 1065682147 /nfs/dbraw/zinc/68/21/47/1065682147.db2.gz IXHWJVHLASBOHW-QGZVFWFLSA-N 1 2 312.369 4.305 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC001307920333 1065682154 /nfs/dbraw/zinc/68/21/54/1065682154.db2.gz IXHWJVHLASBOHW-QGZVFWFLSA-N 1 2 312.369 4.305 20 5 DIBDLO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001308057029 1065743232 /nfs/dbraw/zinc/74/32/32/1065743232.db2.gz NYCGMJZEQNLIBU-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001308057029 1065743240 /nfs/dbraw/zinc/74/32/40/1065743240.db2.gz NYCGMJZEQNLIBU-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])o1 ZINC001308885137 1066364880 /nfs/dbraw/zinc/36/48/80/1066364880.db2.gz XUPQERCNGFHNDZ-UHFFFAOYSA-N 1 2 315.156 4.093 20 5 DIBDLO C[C@H](c1ccccc1F)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000319331428 333283910 /nfs/dbraw/zinc/28/39/10/333283910.db2.gz MUZKUGTUPWHSNG-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000319331428 333283911 /nfs/dbraw/zinc/28/39/11/333283911.db2.gz MUZKUGTUPWHSNG-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO Cc1[nH+]c2ccccc2n1CCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000301105402 336290231 /nfs/dbraw/zinc/29/02/31/336290231.db2.gz QRVMREXABNZBOF-UHFFFAOYSA-N 1 2 324.384 4.064 20 5 DIBDLO Cc1cc(NCc2cccc([N+](=O)[O-])c2)c2cccc(F)c2[nH+]1 ZINC000301652262 336320883 /nfs/dbraw/zinc/32/08/83/336320883.db2.gz GQIQPNYSWLNEHS-UHFFFAOYSA-N 1 2 311.316 4.203 20 5 DIBDLO Cc1cc([N+](=O)[O-])cnc1Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000301969158 336340580 /nfs/dbraw/zinc/34/05/80/336340580.db2.gz ZWTJWZLCSZHKJK-UHFFFAOYSA-N 1 2 322.324 4.229 20 5 DIBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC000173976176 337138130 /nfs/dbraw/zinc/13/81/30/337138130.db2.gz CMZSXOGNWIKQTP-CYBMUJFWSA-N 1 2 323.352 4.101 20 5 DIBDLO Cc1cc(Oc2cccc(-n3cc[nH+]c3)c2)c(F)cc1[N+](=O)[O-] ZINC000461942296 339069254 /nfs/dbraw/zinc/06/92/54/339069254.db2.gz BDLFSSSSUNSELH-UHFFFAOYSA-N 1 2 313.288 4.020 20 5 DIBDLO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000464852026 339157838 /nfs/dbraw/zinc/15/78/38/339157838.db2.gz HOLLNWWMEZLBGZ-WBMJQRKESA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000464852026 339157839 /nfs/dbraw/zinc/15/78/39/339157839.db2.gz HOLLNWWMEZLBGZ-WBMJQRKESA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470958955 339333101 /nfs/dbraw/zinc/33/31/01/339333101.db2.gz MCZIEQYPYRSGPB-LDYMZIIASA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470958955 339333102 /nfs/dbraw/zinc/33/31/02/339333102.db2.gz MCZIEQYPYRSGPB-LDYMZIIASA-N 1 2 322.714 4.021 20 5 DIBDLO Cc1ccc(COc2ccc([N+](=O)[O-])c3ccccc23)c(C)[nH+]1 ZINC000478959666 339525327 /nfs/dbraw/zinc/52/53/27/339525327.db2.gz UERMRDNJGXPTSV-UHFFFAOYSA-N 1 2 308.337 4.339 20 5 DIBDLO CC(C)c1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000505694079 340175130 /nfs/dbraw/zinc/17/51/30/340175130.db2.gz KBNDGQHWKNOGQU-CQSZACIVSA-N 1 2 313.401 4.097 20 5 DIBDLO CC(C)c1ccc(C[N@H+]2CCn3cccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000505694079 340175131 /nfs/dbraw/zinc/17/51/31/340175131.db2.gz KBNDGQHWKNOGQU-CQSZACIVSA-N 1 2 313.401 4.097 20 5 DIBDLO CCC[N@H+](Cc1ccc(F)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505778608 340177709 /nfs/dbraw/zinc/17/77/09/340177709.db2.gz VQNQIAGDSZTOIE-UHFFFAOYSA-N 1 2 320.339 4.285 20 5 DIBDLO CCC[N@@H+](Cc1ccc(F)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505778608 340177710 /nfs/dbraw/zinc/17/77/10/340177710.db2.gz VQNQIAGDSZTOIE-UHFFFAOYSA-N 1 2 320.339 4.285 20 5 DIBDLO CC(C)[N@H+](Cc1cccs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505784794 340177958 /nfs/dbraw/zinc/17/79/58/340177958.db2.gz RKKIRVANROORKF-UHFFFAOYSA-N 1 2 308.378 4.206 20 5 DIBDLO CC(C)[N@@H+](Cc1cccs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505784794 340177959 /nfs/dbraw/zinc/17/79/59/340177959.db2.gz RKKIRVANROORKF-UHFFFAOYSA-N 1 2 308.378 4.206 20 5 DIBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000505801536 340178458 /nfs/dbraw/zinc/17/84/58/340178458.db2.gz IPELHRPVEMPBLN-GFCCVEGCSA-N 1 2 320.339 4.456 20 5 DIBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000505801536 340178459 /nfs/dbraw/zinc/17/84/59/340178459.db2.gz IPELHRPVEMPBLN-GFCCVEGCSA-N 1 2 320.339 4.456 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000505827622 340178999 /nfs/dbraw/zinc/17/89/99/340178999.db2.gz RLCPSUXAPUQVPD-AWEZNQCLSA-N 1 2 306.362 4.133 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000505827622 340179000 /nfs/dbraw/zinc/17/90/00/340179000.db2.gz RLCPSUXAPUQVPD-AWEZNQCLSA-N 1 2 306.362 4.133 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511606721 340332034 /nfs/dbraw/zinc/33/20/34/340332034.db2.gz XCPOJECMZYKSEW-OAHLLOKOSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000511606721 340332035 /nfs/dbraw/zinc/33/20/35/340332035.db2.gz XCPOJECMZYKSEW-OAHLLOKOSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccccc2Cl)C2CC2)cc1 ZINC000549832990 341304452 /nfs/dbraw/zinc/30/44/52/341304452.db2.gz IKJRUGWMOFAUGO-UHFFFAOYSA-N 1 2 316.788 4.413 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccccc2Cl)C2CC2)cc1 ZINC000549832990 341304453 /nfs/dbraw/zinc/30/44/53/341304453.db2.gz IKJRUGWMOFAUGO-UHFFFAOYSA-N 1 2 316.788 4.413 20 5 DIBDLO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC000552065115 341366637 /nfs/dbraw/zinc/36/66/37/341366637.db2.gz FLFFPNMIBCWURB-YEODSOHDSA-N 1 2 323.396 4.086 20 5 DIBDLO CC1(C)C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1c1ccncc1 ZINC000552065115 341366638 /nfs/dbraw/zinc/36/66/38/341366638.db2.gz FLFFPNMIBCWURB-YEODSOHDSA-N 1 2 323.396 4.086 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505310 1037612984 /nfs/dbraw/zinc/61/29/84/1037612984.db2.gz GLKMICIRBFLKAI-SJCJKPOMSA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505310 1037612998 /nfs/dbraw/zinc/61/29/98/1037612998.db2.gz GLKMICIRBFLKAI-SJCJKPOMSA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505507 1037619135 /nfs/dbraw/zinc/61/91/35/1037619135.db2.gz MWUPWDLOVUEYJQ-WBMJQRKESA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610505507 1037619143 /nfs/dbraw/zinc/61/91/43/1037619143.db2.gz MWUPWDLOVUEYJQ-WBMJQRKESA-N 1 2 300.333 4.242 20 5 DIBDLO O=[N+]([O-])c1cc(C[NH2+]C2(c3c(F)cccc3F)CCC2)cs1 ZINC000599019220 1038220373 /nfs/dbraw/zinc/22/03/73/1038220373.db2.gz AWRMZIRHZCJTFZ-UHFFFAOYSA-N 1 2 324.352 4.104 20 5 DIBDLO C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc2ccccc2c1 ZINC000603933544 1038321745 /nfs/dbraw/zinc/32/17/45/1038321745.db2.gz IQUKPWPWUBOMRU-UHFFFAOYSA-N 1 2 312.394 4.442 20 5 DIBDLO C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc2ccccc2c1 ZINC000603933544 1038321757 /nfs/dbraw/zinc/32/17/57/1038321757.db2.gz IQUKPWPWUBOMRU-UHFFFAOYSA-N 1 2 312.394 4.442 20 5 DIBDLO Cc1nc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)s1 ZINC000443630791 1039765016 /nfs/dbraw/zinc/76/50/16/1039765016.db2.gz VWFGCPAMYUSDQM-UHFFFAOYSA-N 1 2 319.430 4.079 20 5 DIBDLO Cc1nc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)s1 ZINC000443630791 1039765034 /nfs/dbraw/zinc/76/50/34/1039765034.db2.gz VWFGCPAMYUSDQM-UHFFFAOYSA-N 1 2 319.430 4.079 20 5 DIBDLO CCCCc1nc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000271723892 1039788055 /nfs/dbraw/zinc/78/80/55/1039788055.db2.gz LOMPTUVSOBLJHN-LBPRGKRZSA-N 1 2 319.430 4.245 20 5 DIBDLO C[C@H]([NH2+][C@H](CF)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000601319116 1039952853 /nfs/dbraw/zinc/95/28/53/1039952853.db2.gz XCBGACKKZKXZKY-MEDUHNTESA-N 1 2 306.312 4.095 20 5 DIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH+]1C2CCC1CC2 ZINC000809936220 1041275487 /nfs/dbraw/zinc/27/54/87/1041275487.db2.gz ZDALHWIQWUUQSM-UHFFFAOYSA-N 1 2 301.173 4.028 20 5 DIBDLO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872018981 1043420494 /nfs/dbraw/zinc/42/04/94/1043420494.db2.gz RDXGKECRUGAOPV-NEPJUHHUSA-N 1 2 318.348 4.154 20 5 DIBDLO C[C@H]([NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025445 1043423886 /nfs/dbraw/zinc/42/38/86/1043423886.db2.gz MZGIUCOGIUREAA-GVXVVHGQSA-N 1 2 318.348 4.301 20 5 DIBDLO CCC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000872030985 1043426713 /nfs/dbraw/zinc/42/67/13/1043426713.db2.gz FOTYWHAKQKQHBF-DOMZBBRYSA-N 1 2 317.364 4.321 20 5 DIBDLO Cc1c(C[N@@H+]2CCc3c(Cl)cccc3C2)cccc1[N+](=O)[O-] ZINC000524811784 1044926696 /nfs/dbraw/zinc/92/66/96/1044926696.db2.gz OVIVFJZCEJKSGR-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1c(C[N@H+]2CCc3c(Cl)cccc3C2)cccc1[N+](=O)[O-] ZINC000524811784 1044926707 /nfs/dbraw/zinc/92/67/07/1044926707.db2.gz OVIVFJZCEJKSGR-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO C[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000153417048 1045057984 /nfs/dbraw/zinc/05/79/84/1045057984.db2.gz HPPFBFOUPXZWHC-NSHDSACASA-N 1 2 319.430 4.200 20 5 DIBDLO O=[N+]([O-])c1cc(C[NH+]2CCC(C(F)(F)F)CC2)ccc1Cl ZINC000088420051 1046230347 /nfs/dbraw/zinc/23/03/47/1046230347.db2.gz UXFPLAZSLUNMRW-UHFFFAOYSA-N 1 2 322.714 4.023 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000748820592 1046405599 /nfs/dbraw/zinc/40/55/99/1046405599.db2.gz VHFWYKAYFQFEPP-OAHLLOKOSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000748820592 1046405602 /nfs/dbraw/zinc/40/56/02/1046405602.db2.gz VHFWYKAYFQFEPP-OAHLLOKOSA-N 1 2 302.761 4.195 20 5 DIBDLO Cc1ccc(CNc2c[nH+]ccc2OC(C)(C)C)cc1[N+](=O)[O-] ZINC000533584224 1046756985 /nfs/dbraw/zinc/75/69/85/1046756985.db2.gz TWSIVJZNFOKLDR-UHFFFAOYSA-N 1 2 315.373 4.088 20 5 DIBDLO c1ccc2c(c1)cc(-c1noc(C[NH+]3CCC3)n1)c1ccccc21 ZINC001212095519 1046933124 /nfs/dbraw/zinc/93/31/24/1046933124.db2.gz LPIDALIKBYATQT-UHFFFAOYSA-N 1 2 315.376 4.249 20 5 DIBDLO CCC(CC)n1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000537125173 1047138820 /nfs/dbraw/zinc/13/88/20/1047138820.db2.gz AUYYDEBSWHSFMT-CYBMUJFWSA-N 1 2 316.405 4.003 20 5 DIBDLO Nc1ccc(Nc2c(N)c3ccccc3c3ccccc32)c[nH+]1 ZINC001201291752 1048228884 /nfs/dbraw/zinc/22/88/84/1048228884.db2.gz BFTPOVJXAJVCFV-UHFFFAOYSA-N 1 2 300.365 4.296 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2ccccc2Cl)C2CC2)c1 ZINC000555593418 1048397209 /nfs/dbraw/zinc/39/72/09/1048397209.db2.gz KXPIHOKAMDXIDA-UHFFFAOYSA-N 1 2 316.788 4.413 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccccc2Cl)C2CC2)c1 ZINC000555593418 1048397222 /nfs/dbraw/zinc/39/72/22/1048397222.db2.gz KXPIHOKAMDXIDA-UHFFFAOYSA-N 1 2 316.788 4.413 20 5 DIBDLO Cc1cc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)nc(C2CCC2)[nH+]1 ZINC001187576795 1048412777 /nfs/dbraw/zinc/41/27/77/1048412777.db2.gz VKTDYIMQMGCDRI-GFCCVEGCSA-N 1 2 312.373 4.134 20 5 DIBDLO O=[N+]([O-])/C=C/c1ccc(Nc2[nH+]cccc2N2CCCCC2)cc1 ZINC001175902556 1048496222 /nfs/dbraw/zinc/49/62/22/1048496222.db2.gz OKCITMMLJZYUAA-GXDHUFHOSA-N 1 2 324.384 4.063 20 5 DIBDLO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC001191214892 1048889787 /nfs/dbraw/zinc/88/97/87/1048889787.db2.gz RGPMXJFIYRXBHG-MLGOLLRUSA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC001191214892 1048889807 /nfs/dbraw/zinc/88/98/07/1048889807.db2.gz RGPMXJFIYRXBHG-MLGOLLRUSA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001191329626 1048928032 /nfs/dbraw/zinc/92/80/32/1048928032.db2.gz IJWNCAGUUWBNTL-LBPRGKRZSA-N 1 2 316.788 4.195 20 5 DIBDLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001191329626 1048928039 /nfs/dbraw/zinc/92/80/39/1048928039.db2.gz IJWNCAGUUWBNTL-LBPRGKRZSA-N 1 2 316.788 4.195 20 5 DIBDLO Cc1c[nH+]c(C)c(Nc2c(N)c3cccnc3c3ncccc32)c1 ZINC001203663510 1048953844 /nfs/dbraw/zinc/95/38/44/1048953844.db2.gz NKUNICGURBUSID-UHFFFAOYSA-N 1 2 315.380 4.121 20 5 DIBDLO CCc1nc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000173408736 1049399217 /nfs/dbraw/zinc/39/92/17/1049399217.db2.gz NRGBVLIOIVMZLG-WDEREUQCSA-N 1 2 305.403 4.026 20 5 DIBDLO CC(C)C[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339064204 1049595920 /nfs/dbraw/zinc/59/59/20/1049595920.db2.gz SVNOPURVPRGOSR-QGZVFWFLSA-N 1 2 314.385 4.177 20 5 DIBDLO Cc1cc(NCc2ccc(Cl)cc2[N+](=O)[O-])ccc1[NH+](C)C ZINC000864003373 1049613148 /nfs/dbraw/zinc/61/31/48/1049613148.db2.gz KEWRFKDHNULRBU-UHFFFAOYSA-N 1 2 319.792 4.235 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2cscc2Cl)c1 ZINC000771972467 1050307012 /nfs/dbraw/zinc/30/70/12/1050307012.db2.gz UKHCBDBMYSORTF-UHFFFAOYSA-N 1 2 317.197 4.253 20 5 DIBDLO O=[N+]([O-])c1cc(Nc2ccc([NH+]3CCCCC3)cc2)ccc1F ZINC001211193327 1050510640 /nfs/dbraw/zinc/51/06/40/1050510640.db2.gz QEYQSTLHNOMXRR-UHFFFAOYSA-N 1 2 315.348 4.468 20 5 DIBDLO CCCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)c1ccc(C)o1 ZINC000595297628 1050619361 /nfs/dbraw/zinc/61/93/61/1050619361.db2.gz XNQFELWSYASYPL-ZDUSSCGKSA-N 1 2 321.377 4.156 20 5 DIBDLO CCCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H](C)c1ccc(C)o1 ZINC000595297628 1050619366 /nfs/dbraw/zinc/61/93/66/1050619366.db2.gz XNQFELWSYASYPL-ZDUSSCGKSA-N 1 2 321.377 4.156 20 5 DIBDLO C[C@@H](c1ccco1)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595380047 1050631212 /nfs/dbraw/zinc/63/12/12/1050631212.db2.gz JNJBTRYAZNWNQZ-NSHDSACASA-N 1 2 304.321 4.053 20 5 DIBDLO C[C@@H](c1ccco1)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595380047 1050631219 /nfs/dbraw/zinc/63/12/19/1050631219.db2.gz JNJBTRYAZNWNQZ-NSHDSACASA-N 1 2 304.321 4.053 20 5 DIBDLO C[N@H+](C/C=C\c1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000788464906 1050683538 /nfs/dbraw/zinc/68/35/38/1050683538.db2.gz SXBQPQJKQNQNJO-YVMONPNESA-N 1 2 316.788 4.393 20 5 DIBDLO C[N@@H+](C/C=C\c1ccccc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000788464906 1050683539 /nfs/dbraw/zinc/68/35/39/1050683539.db2.gz SXBQPQJKQNQNJO-YVMONPNESA-N 1 2 316.788 4.393 20 5 DIBDLO Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1[N+](=O)[O-] ZINC001213661458 1050710850 /nfs/dbraw/zinc/71/08/50/1050710850.db2.gz ICIGBKMWXAJGRH-UHFFFAOYSA-N 1 2 312.373 4.032 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596590415 1050747375 /nfs/dbraw/zinc/74/73/75/1050747375.db2.gz DQYOTTSEAOOIJD-GUYCJALGSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596590415 1050747390 /nfs/dbraw/zinc/74/73/90/1050747390.db2.gz DQYOTTSEAOOIJD-GUYCJALGSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596589628 1050748761 /nfs/dbraw/zinc/74/87/61/1050748761.db2.gz AKAACYNRPIVDCD-DYVFJYSZSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596589628 1050748776 /nfs/dbraw/zinc/74/87/76/1050748776.db2.gz AKAACYNRPIVDCD-DYVFJYSZSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000791583155 1051059756 /nfs/dbraw/zinc/05/97/56/1051059756.db2.gz LPFOTPRERKUSTN-LDYMZIIASA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000791583155 1051059765 /nfs/dbraw/zinc/05/97/65/1051059765.db2.gz LPFOTPRERKUSTN-LDYMZIIASA-N 1 2 322.714 4.021 20 5 DIBDLO Cc1ccc2c(Nc3c(F)ccc([N+](=O)[O-])c3F)cccc2[nH+]1 ZINC001215298095 1051158571 /nfs/dbraw/zinc/15/85/71/1051158571.db2.gz XXFSYGDXQCNPGL-UHFFFAOYSA-N 1 2 315.279 4.473 20 5 DIBDLO CCCC[C@H](C)[N@H+](CCCC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001170518263 1051877246 /nfs/dbraw/zinc/87/72/46/1051877246.db2.gz FPIJVHRLGYVMDG-AWEZNQCLSA-N 1 2 308.422 4.481 20 5 DIBDLO CCCC[C@H](C)[N@@H+](CCCC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001170518263 1051877252 /nfs/dbraw/zinc/87/72/52/1051877252.db2.gz FPIJVHRLGYVMDG-AWEZNQCLSA-N 1 2 308.422 4.481 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cc(Cl)sc1Cl ZINC000312590166 1052431727 /nfs/dbraw/zinc/43/17/27/1052431727.db2.gz WXVOMPZDWNZKKR-UHFFFAOYSA-N 1 2 317.197 4.253 20 5 DIBDLO Cc1ccc(C2=CC[N@H+](Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000917393915 1052724082 /nfs/dbraw/zinc/72/40/82/1052724082.db2.gz NNXNTWYSCRBYPH-UHFFFAOYSA-N 1 2 314.410 4.254 20 5 DIBDLO Cc1ccc(C2=CC[N@@H+](Cc3csc([N+](=O)[O-])c3)CC2)cc1 ZINC000917393915 1052724086 /nfs/dbraw/zinc/72/40/86/1052724086.db2.gz NNXNTWYSCRBYPH-UHFFFAOYSA-N 1 2 314.410 4.254 20 5 DIBDLO C[C@H](Oc1ccc(-c2c[nH+]cn2C)cc1)c1ccccc1[N+](=O)[O-] ZINC001231083952 1053671622 /nfs/dbraw/zinc/67/16/22/1053671622.db2.gz QOGUBQYGPWXNFF-ZDUSSCGKSA-N 1 2 323.352 4.135 20 5 DIBDLO CCCC[N@H+](C)c1ccc(Nc2cc(C)c([N+](=O)[O-])cn2)cc1 ZINC001611952614 1056211921 /nfs/dbraw/zinc/21/19/21/1056211921.db2.gz FSPMPOOEAYZITK-UHFFFAOYSA-N 1 2 314.389 4.278 20 5 DIBDLO CCCC[N@@H+](C)c1ccc(Nc2cc(C)c([N+](=O)[O-])cn2)cc1 ZINC001611952614 1056211934 /nfs/dbraw/zinc/21/19/34/1056211934.db2.gz FSPMPOOEAYZITK-UHFFFAOYSA-N 1 2 314.389 4.278 20 5 DIBDLO CC[N@H+](Cc1ccccc1F)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001615322039 1056491268 /nfs/dbraw/zinc/49/12/68/1056491268.db2.gz HGPKSIYTFPGWDQ-UHFFFAOYSA-N 1 2 322.767 4.409 20 5 DIBDLO CC[N@@H+](Cc1ccccc1F)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001615322039 1056491270 /nfs/dbraw/zinc/49/12/70/1056491270.db2.gz HGPKSIYTFPGWDQ-UHFFFAOYSA-N 1 2 322.767 4.409 20 5 DIBDLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)s1 ZINC000611395323 1057596617 /nfs/dbraw/zinc/59/66/17/1057596617.db2.gz SMDFXUPWWVPMCZ-NXEZZACHSA-N 1 2 305.403 4.080 20 5 DIBDLO Cc1ccc([N+](=O)[O-])c(Nc2ccc([NH+]3CCCCC3)cc2)n1 ZINC001559053139 1058951317 /nfs/dbraw/zinc/95/13/17/1058951317.db2.gz WOOIFTKNJDEXLI-UHFFFAOYSA-N 1 2 312.373 4.032 20 5 DIBDLO CC(C)(C)C1=CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001559719628 1059552141 /nfs/dbraw/zinc/55/21/41/1059552141.db2.gz LLMJXJWSMGIBOA-UHFFFAOYSA-N 1 2 310.344 4.051 20 5 DIBDLO CC(C)(C)C1=CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001559719628 1059552159 /nfs/dbraw/zinc/55/21/59/1059552159.db2.gz LLMJXJWSMGIBOA-UHFFFAOYSA-N 1 2 310.344 4.051 20 5 DIBDLO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2o1 ZINC001560134152 1059934607 /nfs/dbraw/zinc/93/46/07/1059934607.db2.gz XGDYYVLTVASMFE-RYUDHWBXSA-N 1 2 311.341 4.148 20 5 DIBDLO Cc1ncc([N+](=O)[O-])cc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC001249546920 1060284217 /nfs/dbraw/zinc/28/42/17/1060284217.db2.gz SJBBPKCUYMUCGK-UHFFFAOYSA-N 1 2 314.732 4.243 20 5 DIBDLO C[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001473208677 1060972774 /nfs/dbraw/zinc/97/27/74/1060972774.db2.gz SQZBSHVVAMFRPS-SJKOYZFVSA-N 1 2 316.788 4.441 20 5 DIBDLO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC001473208677 1060972809 /nfs/dbraw/zinc/97/28/09/1060972809.db2.gz SQZBSHVVAMFRPS-SJKOYZFVSA-N 1 2 316.788 4.441 20 5 DIBDLO CCOc1ccc([C@H](C)Nc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC001254237773 1062059525 /nfs/dbraw/zinc/05/95/25/1062059525.db2.gz HONXJJAYAIECQQ-LBPRGKRZSA-N 1 2 315.373 4.178 20 5 DIBDLO CCOc1ccc([C@@H](C)Nc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC001254237772 1062059785 /nfs/dbraw/zinc/05/97/85/1062059785.db2.gz HONXJJAYAIECQQ-GFCCVEGCSA-N 1 2 315.373 4.178 20 5 DIBDLO Cc1c(C[N@@H+]2CCc3ccc(Cl)cc3C2)cccc1[N+](=O)[O-] ZINC001459873318 1062464089 /nfs/dbraw/zinc/46/40/89/1062464089.db2.gz KIIGHMGFSZUBKH-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1c(C[N@H+]2CCc3ccc(Cl)cc3C2)cccc1[N+](=O)[O-] ZINC001459873318 1062464100 /nfs/dbraw/zinc/46/41/00/1062464100.db2.gz KIIGHMGFSZUBKH-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO CCCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC001307804419 1065630150 /nfs/dbraw/zinc/63/01/50/1065630150.db2.gz OBARIKGDPOPJML-ZBFHGGJFSA-N 1 2 320.433 4.481 20 5 DIBDLO CCCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC001307804419 1065630154 /nfs/dbraw/zinc/63/01/54/1065630154.db2.gz OBARIKGDPOPJML-ZBFHGGJFSA-N 1 2 320.433 4.481 20 5 DIBDLO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001308057028 1065743363 /nfs/dbraw/zinc/74/33/63/1065743363.db2.gz NYCGMJZEQNLIBU-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001308057028 1065743380 /nfs/dbraw/zinc/74/33/80/1065743380.db2.gz NYCGMJZEQNLIBU-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO CC[C@H]([NH2+][C@H](C)c1c(F)cncc1F)c1cccc([N+](=O)[O-])c1 ZINC000285722572 131196423 /nfs/dbraw/zinc/19/64/23/131196423.db2.gz QHOYHJCIHMSCAM-BMIGLBTASA-N 1 2 321.327 4.070 20 5 DIBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccsc2Cl)c(Cl)c1 ZINC000312756237 331728868 /nfs/dbraw/zinc/72/88/68/331728868.db2.gz HCKMYOCYBCUQLU-UHFFFAOYSA-N 1 2 317.197 4.253 20 5 DIBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000181755400 333032320 /nfs/dbraw/zinc/03/23/20/333032320.db2.gz DHIQZSQFUPUSNK-SNVBAGLBSA-N 1 2 308.740 4.238 20 5 DIBDLO C[N@H+](Cc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000313781711 333069224 /nfs/dbraw/zinc/06/92/24/333069224.db2.gz AZZWZDBQWJWPJI-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000313781711 333069225 /nfs/dbraw/zinc/06/92/25/333069225.db2.gz AZZWZDBQWJWPJI-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO CCc1cnc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000346132261 335379573 /nfs/dbraw/zinc/37/95/73/335379573.db2.gz KSQPZYJMWYJHGF-UHFFFAOYSA-N 1 2 319.430 4.024 20 5 DIBDLO CCc1cnc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)s1 ZINC000346132261 335379574 /nfs/dbraw/zinc/37/95/74/335379574.db2.gz KSQPZYJMWYJHGF-UHFFFAOYSA-N 1 2 319.430 4.024 20 5 DIBDLO Cc1csc([C@H]2CCCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000331903374 336152183 /nfs/dbraw/zinc/15/21/83/336152183.db2.gz HYOPKABVWXSIRN-OAHLLOKOSA-N 1 2 317.414 4.087 20 5 DIBDLO Cc1csc([C@H]2CCCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000331903374 336152184 /nfs/dbraw/zinc/15/21/84/336152184.db2.gz HYOPKABVWXSIRN-OAHLLOKOSA-N 1 2 317.414 4.087 20 5 DIBDLO Cc1ccc([C@H](C)Nc2cc[nH+]c(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000301499761 336310670 /nfs/dbraw/zinc/31/06/70/336310670.db2.gz AFNLOANHOVMCMI-LBPRGKRZSA-N 1 2 314.389 4.164 20 5 DIBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncc(-c2ccccc2)o1 ZINC000174010343 337140608 /nfs/dbraw/zinc/14/06/08/337140608.db2.gz VKFLOGSNUPJZER-ZDUSSCGKSA-N 1 2 323.352 4.101 20 5 DIBDLO O=[N+]([O-])c1ccc2sc(/C=C/c3cccc4[nH+]ccn43)nc2c1 ZINC000433758681 338200876 /nfs/dbraw/zinc/20/08/76/338200876.db2.gz NQSJGRKAOCGAJQ-FNORWQNLSA-N 1 2 322.349 4.023 20 5 DIBDLO Cc1cnc(Nc2ccc(Nc3ccccc3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000463059288 339103592 /nfs/dbraw/zinc/10/35/92/339103592.db2.gz ZSFZAHTWPMWCGO-UHFFFAOYSA-N 1 2 321.340 4.180 20 5 DIBDLO Cc1[nH]c2ccc(COc3c(Cl)cccc3[N+](=O)[O-])cc2[nH+]1 ZINC000467208594 339228315 /nfs/dbraw/zinc/22/83/15/339228315.db2.gz SURONLWEAJOJLA-UHFFFAOYSA-N 1 2 317.732 4.012 20 5 DIBDLO Cc1[nH]c2cc(COc3c(Cl)cccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000467208594 339228316 /nfs/dbraw/zinc/22/83/16/339228316.db2.gz SURONLWEAJOJLA-UHFFFAOYSA-N 1 2 317.732 4.012 20 5 DIBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000470942522 339331856 /nfs/dbraw/zinc/33/18/56/339331856.db2.gz CCWOLIVNPSKADU-WCBMZHEXSA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000470942522 339331857 /nfs/dbraw/zinc/33/18/57/339331857.db2.gz CCWOLIVNPSKADU-WCBMZHEXSA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470958951 339333107 /nfs/dbraw/zinc/33/31/07/339333107.db2.gz MCZIEQYPYRSGPB-KCJUWKMLSA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000470958951 339333108 /nfs/dbraw/zinc/33/31/08/339333108.db2.gz MCZIEQYPYRSGPB-KCJUWKMLSA-N 1 2 322.714 4.021 20 5 DIBDLO C[N@H+](Cc1cc2ccccc2o1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000472291119 339369132 /nfs/dbraw/zinc/36/91/32/339369132.db2.gz JCZOGCXJMKOZRM-UHFFFAOYSA-N 1 2 314.316 4.112 20 5 DIBDLO C[N@@H+](Cc1cc2ccccc2o1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000472291119 339369133 /nfs/dbraw/zinc/36/91/33/339369133.db2.gz JCZOGCXJMKOZRM-UHFFFAOYSA-N 1 2 314.316 4.112 20 5 DIBDLO C[N@H+](Cc1ccc(Cl)cc1F)Cc1ccccc1[N+](=O)[O-] ZINC000503639880 340132815 /nfs/dbraw/zinc/13/28/15/340132815.db2.gz QEVJGPSEIYDLLF-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1ccc(Cl)cc1F)Cc1ccccc1[N+](=O)[O-] ZINC000503639880 340132816 /nfs/dbraw/zinc/13/28/16/340132816.db2.gz QEVJGPSEIYDLLF-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000505801537 340178506 /nfs/dbraw/zinc/17/85/06/340178506.db2.gz IPELHRPVEMPBLN-LBPRGKRZSA-N 1 2 320.339 4.456 20 5 DIBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000505801537 340178507 /nfs/dbraw/zinc/17/85/07/340178507.db2.gz IPELHRPVEMPBLN-LBPRGKRZSA-N 1 2 320.339 4.456 20 5 DIBDLO CC[N@H+](Cc1cccc(Cl)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505848087 340179502 /nfs/dbraw/zinc/17/95/02/340179502.db2.gz LXKCBGUZCPHWSH-UHFFFAOYSA-N 1 2 322.767 4.409 20 5 DIBDLO CC[N@@H+](Cc1cccc(Cl)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505848087 340179503 /nfs/dbraw/zinc/17/95/03/340179503.db2.gz LXKCBGUZCPHWSH-UHFFFAOYSA-N 1 2 322.767 4.409 20 5 DIBDLO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505864481 340180029 /nfs/dbraw/zinc/18/00/29/340180029.db2.gz MEQDZKYTBZQUKZ-CQSZACIVSA-N 1 2 320.389 4.305 20 5 DIBDLO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505864481 340180030 /nfs/dbraw/zinc/18/00/30/340180030.db2.gz MEQDZKYTBZQUKZ-CQSZACIVSA-N 1 2 320.389 4.305 20 5 DIBDLO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505913640 340181491 /nfs/dbraw/zinc/18/14/91/340181491.db2.gz VLBWOPOMGSOLOA-CYBMUJFWSA-N 1 2 302.349 4.235 20 5 DIBDLO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505913640 340181492 /nfs/dbraw/zinc/18/14/92/340181492.db2.gz VLBWOPOMGSOLOA-CYBMUJFWSA-N 1 2 302.349 4.235 20 5 DIBDLO O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H]2c2ccccc2)c(F)c1 ZINC000509855426 340281678 /nfs/dbraw/zinc/28/16/78/340281678.db2.gz YUYFDUOECINIJF-KRWDZBQOSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H]2c2ccccc2)c(F)c1 ZINC000509855426 340281679 /nfs/dbraw/zinc/28/16/79/340281679.db2.gz YUYFDUOECINIJF-KRWDZBQOSA-N 1 2 318.323 4.210 20 5 DIBDLO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1cccc([N+](=O)[O-])c1 ZINC000173371582 340363546 /nfs/dbraw/zinc/36/35/46/340363546.db2.gz VLDQJOADQWDXNE-CYBMUJFWSA-N 1 2 323.352 4.101 20 5 DIBDLO O=[N+]([O-])c1ccccc1-c1ccc(CNc2cccc[nH+]2)s1 ZINC000237957275 341223828 /nfs/dbraw/zinc/22/38/28/341223828.db2.gz DJQCCURZSZFTFX-UHFFFAOYSA-N 1 2 311.366 4.330 20 5 DIBDLO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)cs1 ZINC000136133757 341253396 /nfs/dbraw/zinc/25/33/96/341253396.db2.gz UZHCDPATAQKDSO-UHFFFAOYSA-N 1 2 324.352 4.104 20 5 DIBDLO CC(C)(C)c1ccc(NCc2cn3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000551361943 341339518 /nfs/dbraw/zinc/33/95/18/341339518.db2.gz MRUMMAMSWJMCFP-UHFFFAOYSA-N 1 2 324.384 4.152 20 5 DIBDLO CC(C)(C)[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000553598533 341432274 /nfs/dbraw/zinc/43/22/74/341432274.db2.gz POWXYOXSNVAHAL-QGZVFWFLSA-N 1 2 314.385 4.177 20 5 DIBDLO Cc1nc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000268866449 527066002 /nfs/dbraw/zinc/06/60/02/527066002.db2.gz FOYWYISMCDMSSD-MNOVXSKESA-N 1 2 305.403 4.080 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCCC[C@@H]2c2ccco2)cs1 ZINC000609916299 1036494040 /nfs/dbraw/zinc/49/40/40/1036494040.db2.gz UICFMKDFSUSVAO-CYBMUJFWSA-N 1 2 306.387 4.367 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCCC[C@@H]2c2ccco2)cs1 ZINC000609916299 1036494049 /nfs/dbraw/zinc/49/40/49/1036494049.db2.gz UICFMKDFSUSVAO-CYBMUJFWSA-N 1 2 306.387 4.367 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2ccc(F)cc2)C2CC2)c(F)c1 ZINC000491857086 1039884187 /nfs/dbraw/zinc/88/41/87/1039884187.db2.gz PATUVVPFFMBSDN-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)c(F)c1 ZINC000491857086 1039884201 /nfs/dbraw/zinc/88/42/01/1039884201.db2.gz PATUVVPFFMBSDN-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000493002681 1040055460 /nfs/dbraw/zinc/05/54/60/1040055460.db2.gz JWYCUYWBTBWJMZ-OAHLLOKOSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000493002681 1040055474 /nfs/dbraw/zinc/05/54/74/1040055474.db2.gz JWYCUYWBTBWJMZ-OAHLLOKOSA-N 1 2 302.761 4.195 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1ccc(F)cc1F ZINC000105688628 1041612905 /nfs/dbraw/zinc/61/29/05/1041612905.db2.gz NHNCCLLVZFMJKJ-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccc(F)cc1F ZINC000105688628 1041612910 /nfs/dbraw/zinc/61/29/10/1041612910.db2.gz NHNCCLLVZFMJKJ-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO Cc1cc([C@@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])c(C)o1 ZINC000107904582 1041901071 /nfs/dbraw/zinc/90/10/71/1041901071.db2.gz CDVVMPRYZDLCLT-SNVBAGLBSA-N 1 2 308.765 4.309 20 5 DIBDLO Cc1c([C@@H](C)[NH2+]Cc2c(F)cc(F)cc2F)cccc1[N+](=O)[O-] ZINC000815650275 1041985392 /nfs/dbraw/zinc/98/53/92/1041985392.db2.gz NHLLXRVJQIBPLH-SNVBAGLBSA-N 1 2 324.302 4.171 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@H+](Cc2cccs2)C2CC2)c1 ZINC000049024089 1043019595 /nfs/dbraw/zinc/01/95/95/1043019595.db2.gz CPLHXAPURDRPPR-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000049024089 1043019600 /nfs/dbraw/zinc/01/96/00/1043019600.db2.gz CPLHXAPURDRPPR-UHFFFAOYSA-N 1 2 322.817 4.474 20 5 DIBDLO C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)c1c(F)cccc1[N+](=O)[O-] ZINC000872025447 1043424180 /nfs/dbraw/zinc/42/41/80/1043424180.db2.gz MZGIUCOGIUREAA-NTZNESFSSA-N 1 2 318.348 4.301 20 5 DIBDLO CCC[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000872030986 1043426560 /nfs/dbraw/zinc/42/65/60/1043426560.db2.gz FOTYWHAKQKQHBF-IUODEOHRSA-N 1 2 317.364 4.321 20 5 DIBDLO CCC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC000872030988 1043426635 /nfs/dbraw/zinc/42/66/35/1043426635.db2.gz FOTYWHAKQKQHBF-WFASDCNBSA-N 1 2 317.364 4.321 20 5 DIBDLO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872055074 1043437480 /nfs/dbraw/zinc/43/74/80/1043437480.db2.gz FMFFICBWPIQOHD-NSHDSACASA-N 1 2 318.323 4.213 20 5 DIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000353917182 1043657739 /nfs/dbraw/zinc/65/77/39/1043657739.db2.gz SSOWJUHAACBYGF-MRXNPFEDSA-N 1 2 316.357 4.011 20 5 DIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000353917182 1043657741 /nfs/dbraw/zinc/65/77/41/1043657741.db2.gz SSOWJUHAACBYGF-MRXNPFEDSA-N 1 2 316.357 4.011 20 5 DIBDLO CC(C)([NH2+]Cc1cc(F)c(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000291695363 1044095572 /nfs/dbraw/zinc/09/55/72/1044095572.db2.gz JPCRRTINEQDUIF-UHFFFAOYSA-N 1 2 324.302 4.037 20 5 DIBDLO COc1cc(COc2cc(C)[nH+]c3ccccc32)ccc1[N+](=O)[O-] ZINC000578701139 1045266178 /nfs/dbraw/zinc/26/61/78/1045266178.db2.gz YLZKDVCXSQARTH-UHFFFAOYSA-N 1 2 324.336 4.039 20 5 DIBDLO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1F ZINC000048873761 1045283856 /nfs/dbraw/zinc/28/38/56/1045283856.db2.gz KRPISIXOZMIFIX-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1F ZINC000048873761 1045283867 /nfs/dbraw/zinc/28/38/67/1045283867.db2.gz KRPISIXOZMIFIX-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451853916 1045734793 /nfs/dbraw/zinc/73/47/93/1045734793.db2.gz MITIXRICKVOZLM-GUYCJALGSA-N 1 2 312.369 4.476 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451853916 1045734804 /nfs/dbraw/zinc/73/48/04/1045734804.db2.gz MITIXRICKVOZLM-GUYCJALGSA-N 1 2 312.369 4.476 20 5 DIBDLO CC1(C)C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000191664208 1045745043 /nfs/dbraw/zinc/74/50/43/1045745043.db2.gz SBZLLBJFXUQGGR-SNVBAGLBSA-N 1 2 322.352 4.067 20 5 DIBDLO CC1(C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000191664208 1045745057 /nfs/dbraw/zinc/74/50/57/1045745057.db2.gz SBZLLBJFXUQGGR-SNVBAGLBSA-N 1 2 322.352 4.067 20 5 DIBDLO C[C@@H](c1ccc(F)cc1F)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000195594329 1046124254 /nfs/dbraw/zinc/12/42/54/1046124254.db2.gz MYJBJHWZQHCNQX-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@@H](c1ccc(F)cc1F)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000195594329 1046124262 /nfs/dbraw/zinc/12/42/62/1046124262.db2.gz MYJBJHWZQHCNQX-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO COc1cccc(F)c1[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000537158537 1047142876 /nfs/dbraw/zinc/14/28/76/1047142876.db2.gz GLRWMXINXALPDY-NEPJUHHUSA-N 1 2 318.348 4.154 20 5 DIBDLO COc1c(C)c[nH+]c(CSCc2cccc([N+](=O)[O-])c2)c1C ZINC001116493872 1047150468 /nfs/dbraw/zinc/15/04/68/1047150468.db2.gz ZRPKEGXSNRIBIB-UHFFFAOYSA-N 1 2 318.398 4.049 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000538632386 1047693005 /nfs/dbraw/zinc/69/30/05/1047693005.db2.gz KKIZLZHKDJSUTB-SNVBAGLBSA-N 1 2 324.302 4.205 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000538632386 1047693009 /nfs/dbraw/zinc/69/30/09/1047693009.db2.gz KKIZLZHKDJSUTB-SNVBAGLBSA-N 1 2 324.302 4.205 20 5 DIBDLO C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000555420647 1048343797 /nfs/dbraw/zinc/34/37/97/1048343797.db2.gz NSJWNJNHINNQBN-ZDUSSCGKSA-N 1 2 322.364 4.304 20 5 DIBDLO Cc1cc(N[C@H](C)c2ccccc2[N+](=O)[O-])nc(C2CCC2)[nH+]1 ZINC001187519287 1048403664 /nfs/dbraw/zinc/40/36/64/1048403664.db2.gz XWYIYWALLCMGJP-GFCCVEGCSA-N 1 2 312.373 4.134 20 5 DIBDLO O=[N+]([O-])c1ccc(F)c(Nc2ccc([NH+]3CCCCC3)cc2)c1 ZINC001175736951 1048430267 /nfs/dbraw/zinc/43/02/67/1048430267.db2.gz PQUWKSWUSZIEFW-UHFFFAOYSA-N 1 2 315.348 4.468 20 5 DIBDLO O=[N+]([O-])/C=C/c1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)cc1 ZINC001175898953 1048493683 /nfs/dbraw/zinc/49/36/83/1048493683.db2.gz GQVPXEKCGVBMQU-JLHYYAGUSA-N 1 2 324.384 4.063 20 5 DIBDLO C[N@H+](Cc1ccc(F)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042316385 1048533657 /nfs/dbraw/zinc/53/36/57/1048533657.db2.gz XBODICHEZGCHQS-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1ccc(F)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042316385 1048533668 /nfs/dbraw/zinc/53/36/68/1048533668.db2.gz XBODICHEZGCHQS-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO COc1ccc(Nc2ccc3c(C)cc[nH+]c3c2)cc1[N+](=O)[O-] ZINC001176363062 1048660870 /nfs/dbraw/zinc/66/08/70/1048660870.db2.gz MLRRWXDEFJPYCR-UHFFFAOYSA-N 1 2 309.325 4.204 20 5 DIBDLO c1cc2ncc(Nc3ccc4[nH+]c5ccccc5cc4c3)cn2n1 ZINC001204821052 1049276402 /nfs/dbraw/zinc/27/64/02/1049276402.db2.gz OYTAVGOVCCZFEM-UHFFFAOYSA-N 1 2 311.348 4.174 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(F)c2F)C2CC2)cc1 ZINC000490822654 1049866318 /nfs/dbraw/zinc/86/63/18/1049866318.db2.gz DAMIGMHBYDNMKW-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccc(F)c2F)C2CC2)cc1 ZINC000490822654 1049866328 /nfs/dbraw/zinc/86/63/28/1049866328.db2.gz DAMIGMHBYDNMKW-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000491081204 1049882019 /nfs/dbraw/zinc/88/20/19/1049882019.db2.gz BMCXWOZEMYQDFH-KRWDZBQOSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000491081204 1049882024 /nfs/dbraw/zinc/88/20/24/1049882024.db2.gz BMCXWOZEMYQDFH-KRWDZBQOSA-N 1 2 318.323 4.210 20 5 DIBDLO CC1(C)C[C@@H]([NH2+][C@@H]2CCCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000588232470 1049977034 /nfs/dbraw/zinc/97/70/34/1049977034.db2.gz IJMKUUKZMLMLMX-ZIAGYGMSSA-N 1 2 310.344 4.095 20 5 DIBDLO CC(C)Oc1ccccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000055901856 1049977480 /nfs/dbraw/zinc/97/74/80/1049977480.db2.gz MMZNJDUBGBDMKP-UHFFFAOYSA-N 1 2 314.385 4.014 20 5 DIBDLO CC(C)Oc1ccccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000055901856 1049977484 /nfs/dbraw/zinc/97/74/84/1049977484.db2.gz MMZNJDUBGBDMKP-UHFFFAOYSA-N 1 2 314.385 4.014 20 5 DIBDLO C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1ccc([NH+](C)C)cc1 ZINC000786821188 1050522646 /nfs/dbraw/zinc/52/26/46/1050522646.db2.gz YOTQKUQXWJZFCX-KAMYIIQDSA-N 1 2 311.385 4.176 20 5 DIBDLO CC(C)[N@H+](Cc1ccccn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746660928 1050569843 /nfs/dbraw/zinc/56/98/43/1050569843.db2.gz AYHZKCRSCOPKQX-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO CC(C)[N@@H+](Cc1ccccn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746660928 1050569851 /nfs/dbraw/zinc/56/98/51/1050569851.db2.gz AYHZKCRSCOPKQX-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO C[N@H+](Cc1cc2ccccc2o1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746676416 1050590579 /nfs/dbraw/zinc/59/05/79/1050590579.db2.gz VATLOTLSBWORPY-UHFFFAOYSA-N 1 2 314.316 4.112 20 5 DIBDLO C[N@@H+](Cc1cc2ccccc2o1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746676416 1050590590 /nfs/dbraw/zinc/59/05/90/1050590590.db2.gz VATLOTLSBWORPY-UHFFFAOYSA-N 1 2 314.316 4.112 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596589630 1050748606 /nfs/dbraw/zinc/74/86/06/1050748606.db2.gz AKAACYNRPIVDCD-SUMWQHHRSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596589630 1050748621 /nfs/dbraw/zinc/74/86/21/1050748621.db2.gz AKAACYNRPIVDCD-SUMWQHHRSA-N 1 2 311.385 4.134 20 5 DIBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000601319096 1050786759 /nfs/dbraw/zinc/78/67/59/1050786759.db2.gz WPJDAGMTRIAACP-CVEARBPZSA-N 1 2 318.323 4.022 20 5 DIBDLO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000601318923 1050787314 /nfs/dbraw/zinc/78/73/14/1050787314.db2.gz UITUWSYCSYSQDM-SJKOYZFVSA-N 1 2 320.339 4.404 20 5 DIBDLO Cc1c([C@H](C)[NH2+][C@H](CF)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000601317867 1050787880 /nfs/dbraw/zinc/78/78/80/1050787880.db2.gz CVWSUGSQMIBJQR-BLLLJJGKSA-N 1 2 320.339 4.404 20 5 DIBDLO Cc1c([C@H](C)[NH2+][C@@H](CF)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000601317869 1050788081 /nfs/dbraw/zinc/78/80/81/1050788081.db2.gz CVWSUGSQMIBJQR-LRDDRELGSA-N 1 2 320.339 4.404 20 5 DIBDLO Cc1c([C@@H](C)[NH2+][C@@H](CF)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000601317873 1050788652 /nfs/dbraw/zinc/78/86/52/1050788652.db2.gz CVWSUGSQMIBJQR-WBMJQRKESA-N 1 2 320.339 4.404 20 5 DIBDLO CC(C)[N@H+](Cc1ccccc1F)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746134693 1051325575 /nfs/dbraw/zinc/32/55/75/1051325575.db2.gz VMYMBSGXEHVVCG-UHFFFAOYSA-N 1 2 320.339 4.284 20 5 DIBDLO CC(C)[N@@H+](Cc1ccccc1F)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000746134693 1051325582 /nfs/dbraw/zinc/32/55/82/1051325582.db2.gz VMYMBSGXEHVVCG-UHFFFAOYSA-N 1 2 320.339 4.284 20 5 DIBDLO Cc1nn(C)c(C)c1Nc1ccc2[nH+]c3ccccc3cc2c1 ZINC001174228792 1052065623 /nfs/dbraw/zinc/06/56/23/1052065623.db2.gz HUPVCPAXFUUKMN-UHFFFAOYSA-N 1 2 302.381 4.482 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1C[NH2+]C1(c2ccccc2)CC1 ZINC000494806894 1052118675 /nfs/dbraw/zinc/11/86/75/1052118675.db2.gz CMCXAMBBEAKRBP-UHFFFAOYSA-N 1 2 302.761 4.027 20 5 DIBDLO CC[C@H]1c2ccsc2CC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000915685719 1052468638 /nfs/dbraw/zinc/46/86/38/1052468638.db2.gz FGQYIDZCLDELOT-AWEZNQCLSA-N 1 2 320.389 4.305 20 5 DIBDLO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000915685719 1052468643 /nfs/dbraw/zinc/46/86/43/1052468643.db2.gz FGQYIDZCLDELOT-AWEZNQCLSA-N 1 2 320.389 4.305 20 5 DIBDLO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000179632117 1053018671 /nfs/dbraw/zinc/01/86/71/1053018671.db2.gz UIGLJDGGNKKXCU-OAHLLOKOSA-N 1 2 324.302 4.253 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1csc3ccccc13)C2 ZINC001319948215 1053289189 /nfs/dbraw/zinc/28/91/89/1053289189.db2.gz KNIGVICPPULDLN-UHFFFAOYSA-N 1 2 310.378 4.325 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1csc3ccccc13)C2 ZINC001319948215 1053289199 /nfs/dbraw/zinc/28/91/99/1053289199.db2.gz KNIGVICPPULDLN-UHFFFAOYSA-N 1 2 310.378 4.325 20 5 DIBDLO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182335534 1053414503 /nfs/dbraw/zinc/41/45/03/1053414503.db2.gz NECUXXQDHMEUJJ-LLVKDONJSA-N 1 2 320.776 4.147 20 5 DIBDLO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182335534 1053414508 /nfs/dbraw/zinc/41/45/08/1053414508.db2.gz NECUXXQDHMEUJJ-LLVKDONJSA-N 1 2 320.776 4.147 20 5 DIBDLO C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000183493132 1053665045 /nfs/dbraw/zinc/66/50/45/1053665045.db2.gz WDWWHGVQSONUGQ-QMTHXVAHSA-N 1 2 320.776 4.254 20 5 DIBDLO Cc1cc([NH+](C)C)ccc1N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848537168 1054132646 /nfs/dbraw/zinc/13/26/46/1054132646.db2.gz BBUJJKFTULKUTF-KRWDZBQOSA-N 1 2 311.385 4.069 20 5 DIBDLO Cc1cc(N[C@H]2CCc3c2cccc3[N+](=O)[O-])ccc1[NH+](C)C ZINC000848542621 1054139546 /nfs/dbraw/zinc/13/95/46/1054139546.db2.gz MLJVCXXCWIKLPX-INIZCTEOSA-N 1 2 311.385 4.069 20 5 DIBDLO CC(C)Oc1ccc[nH+]c1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001343420353 1054444547 /nfs/dbraw/zinc/44/45/47/1054444547.db2.gz CUJLUPOOXSQQED-UHFFFAOYSA-N 1 2 321.764 4.043 20 5 DIBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC001560124255 1059925414 /nfs/dbraw/zinc/92/54/14/1059925414.db2.gz RGGWRQWNRIJPLI-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC001560124255 1059925439 /nfs/dbraw/zinc/92/54/39/1059925439.db2.gz RGGWRQWNRIJPLI-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1cscc1Cl ZINC001561010116 1060868423 /nfs/dbraw/zinc/86/84/23/1060868423.db2.gz IFRRAMOFTFHCPX-UHFFFAOYSA-N 1 2 317.197 4.253 20 5 DIBDLO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC001473624277 1061299693 /nfs/dbraw/zinc/29/96/93/1061299693.db2.gz RZAQZAXKEIAJNX-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC001473624277 1061299713 /nfs/dbraw/zinc/29/97/13/1061299713.db2.gz RZAQZAXKEIAJNX-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001459873439 1062462816 /nfs/dbraw/zinc/46/28/16/1062462816.db2.gz LUZYKQGLHCKSIO-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2ccc(Cl)cc2C1 ZINC001459873439 1062462829 /nfs/dbraw/zinc/46/28/29/1062462829.db2.gz LUZYKQGLHCKSIO-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC(C)(C)CC(C)(C)C1 ZINC001460374883 1062822845 /nfs/dbraw/zinc/82/28/45/1062822845.db2.gz OQZLQZDPWGSGHZ-UHFFFAOYSA-N 1 2 320.433 4.337 20 5 DIBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC(C)(C)CC(C)(C)C1 ZINC001460374883 1062822870 /nfs/dbraw/zinc/82/28/70/1062822870.db2.gz OQZLQZDPWGSGHZ-UHFFFAOYSA-N 1 2 320.433 4.337 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(F)c3ccccc13)C2 ZINC001461917095 1063800933 /nfs/dbraw/zinc/80/09/33/1063800933.db2.gz YZUQPAIOSXDVCQ-UHFFFAOYSA-N 1 2 322.339 4.403 20 5 DIBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(F)c3ccccc13)C2 ZINC001461917095 1063800951 /nfs/dbraw/zinc/80/09/51/1063800951.db2.gz YZUQPAIOSXDVCQ-UHFFFAOYSA-N 1 2 322.339 4.403 20 5 DIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2csc(C3CC3)n2)cc1[N+](=O)[O-] ZINC001307616819 1065520184 /nfs/dbraw/zinc/52/01/84/1065520184.db2.gz OOIFWJNNHMDIFI-LLVKDONJSA-N 1 2 317.414 4.088 20 5 DIBDLO CCCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC001307804418 1065629393 /nfs/dbraw/zinc/62/93/93/1065629393.db2.gz OBARIKGDPOPJML-HOCLYGCPSA-N 1 2 320.433 4.481 20 5 DIBDLO CCCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC001307804418 1065629400 /nfs/dbraw/zinc/62/94/00/1065629400.db2.gz OBARIKGDPOPJML-HOCLYGCPSA-N 1 2 320.433 4.481 20 5 DIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC12CCCC2 ZINC001307905209 1065676411 /nfs/dbraw/zinc/67/64/11/1065676411.db2.gz REIXCVVJTGVTKS-UHFFFAOYSA-N 1 2 315.200 4.420 20 5 DIBDLO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[N@H+]1CCC12CCCC2 ZINC001307905209 1065676416 /nfs/dbraw/zinc/67/64/16/1065676416.db2.gz REIXCVVJTGVTKS-UHFFFAOYSA-N 1 2 315.200 4.420 20 5 DIBDLO Cc1cc(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc(C2CC2)[nH+]1 ZINC000487670554 435628022 /nfs/dbraw/zinc/62/80/22/435628022.db2.gz XLXQFZKBDNMROZ-GFCCVEGCSA-N 1 2 312.373 4.052 20 5 DIBDLO C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)c1ccccc1[N+](=O)[O-] ZINC000279099784 334105414 /nfs/dbraw/zinc/10/54/14/334105414.db2.gz JEICLWKSCPPTQM-NSHDSACASA-N 1 2 319.430 4.200 20 5 DIBDLO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182377603 337188124 /nfs/dbraw/zinc/18/81/24/337188124.db2.gz DRVFXYCMOMMELA-INIZCTEOSA-N 1 2 319.792 4.226 20 5 DIBDLO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182377603 337188125 /nfs/dbraw/zinc/18/81/25/337188125.db2.gz DRVFXYCMOMMELA-INIZCTEOSA-N 1 2 319.792 4.226 20 5 DIBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000183643466 337194005 /nfs/dbraw/zinc/19/40/05/337194005.db2.gz TYHDZVMPFHWAPC-IBGZPJMESA-N 1 2 322.364 4.375 20 5 DIBDLO O=[N+]([O-])c1ccccc1-c1ccc(CNc2cc[nH+]cc2F)o1 ZINC000192150687 337303332 /nfs/dbraw/zinc/30/33/32/337303332.db2.gz GRDDFYOOKUBVQV-UHFFFAOYSA-N 1 2 313.288 4.001 20 5 DIBDLO CC[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1c(C)noc1C ZINC000119877882 337867301 /nfs/dbraw/zinc/86/73/01/337867301.db2.gz IQLLRWWMZXIJTJ-ZDUSSCGKSA-N 1 2 323.780 4.094 20 5 DIBDLO Cc1[nH]c2ccc(CSCc3ccc([N+](=O)[O-])cc3)cc2[nH+]1 ZINC000467199840 339227940 /nfs/dbraw/zinc/22/79/40/339227940.db2.gz DTACQZFVMHZSOV-UHFFFAOYSA-N 1 2 313.382 4.213 20 5 DIBDLO Cc1[nH]c2cc(CSCc3ccc([N+](=O)[O-])cc3)ccc2[nH+]1 ZINC000467199840 339227941 /nfs/dbraw/zinc/22/79/41/339227941.db2.gz DTACQZFVMHZSOV-UHFFFAOYSA-N 1 2 313.382 4.213 20 5 DIBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000470942520 339331919 /nfs/dbraw/zinc/33/19/19/339331919.db2.gz CCWOLIVNPSKADU-SCZZXKLOSA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000470942520 339331920 /nfs/dbraw/zinc/33/19/20/339331920.db2.gz CCWOLIVNPSKADU-SCZZXKLOSA-N 1 2 322.714 4.021 20 5 DIBDLO O=[N+]([O-])c1cccc(Cl)c1CSc1[nH+]cc2ccccn21 ZINC000487690425 339761115 /nfs/dbraw/zinc/76/11/15/339761115.db2.gz MTMIXHBPGDTWSD-UHFFFAOYSA-N 1 2 319.773 4.188 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000505827623 340179059 /nfs/dbraw/zinc/17/90/59/340179059.db2.gz RLCPSUXAPUQVPD-CQSZACIVSA-N 1 2 306.362 4.133 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000505827623 340179060 /nfs/dbraw/zinc/17/90/60/340179060.db2.gz RLCPSUXAPUQVPD-CQSZACIVSA-N 1 2 306.362 4.133 20 5 DIBDLO C[C@H](c1ccccc1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509244280 340264390 /nfs/dbraw/zinc/26/43/90/340264390.db2.gz AQAWOBXWQBBVRY-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@H](c1ccccc1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509244280 340264391 /nfs/dbraw/zinc/26/43/91/340264391.db2.gz AQAWOBXWQBBVRY-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@@H](c1ccccc1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509244281 340264425 /nfs/dbraw/zinc/26/44/25/340264425.db2.gz AQAWOBXWQBBVRY-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@@H](c1ccccc1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509244281 340264426 /nfs/dbraw/zinc/26/44/26/340264426.db2.gz AQAWOBXWQBBVRY-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511606720 340332075 /nfs/dbraw/zinc/33/20/75/340332075.db2.gz XCPOJECMZYKSEW-HNNXBMFYSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000511606720 340332076 /nfs/dbraw/zinc/33/20/76/340332076.db2.gz XCPOJECMZYKSEW-HNNXBMFYSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(C(F)F)CCCCC1 ZINC000512891004 340382670 /nfs/dbraw/zinc/38/26/70/340382670.db2.gz NAVDJMIKIVLSQS-VURMDHGXSA-N 1 2 310.344 4.166 20 5 DIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000174180887 340383574 /nfs/dbraw/zinc/38/35/74/340383574.db2.gz BVPKQGJQBIHQHJ-UHFFFAOYSA-N 1 2 322.714 4.023 20 5 DIBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc(Cl)c2Cl)cs1 ZINC000538395981 340820917 /nfs/dbraw/zinc/82/09/17/340820917.db2.gz LOEWLMHKHDCMKN-UHFFFAOYSA-N 1 2 317.197 4.253 20 5 DIBDLO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000080933408 341276853 /nfs/dbraw/zinc/27/68/53/341276853.db2.gz VDGKWBQCLWRMOE-LBPRGKRZSA-N 1 2 318.348 4.023 20 5 DIBDLO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000080933408 341276854 /nfs/dbraw/zinc/27/68/54/341276854.db2.gz VDGKWBQCLWRMOE-LBPRGKRZSA-N 1 2 318.348 4.023 20 5 DIBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2c(Cl)cccc2Cl)cs1 ZINC000551240727 341335097 /nfs/dbraw/zinc/33/50/97/341335097.db2.gz BXKLRJXGEHTHOY-UHFFFAOYSA-N 1 2 317.197 4.253 20 5 DIBDLO C[C@H]([NH2+]Cc1cc(-c2ccccc2)on1)c1ccc([N+](=O)[O-])cc1 ZINC000154836917 341596800 /nfs/dbraw/zinc/59/68/00/341596800.db2.gz GAKMBTYIYWQACD-ZDUSSCGKSA-N 1 2 323.352 4.101 20 5 DIBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC000267029416 526743019 /nfs/dbraw/zinc/74/30/19/526743019.db2.gz MCNUDSSMLDIUED-SNVBAGLBSA-N 1 2 323.393 4.000 20 5 DIBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)s1 ZINC000267029416 526743027 /nfs/dbraw/zinc/74/30/27/526743027.db2.gz MCNUDSSMLDIUED-SNVBAGLBSA-N 1 2 323.393 4.000 20 5 DIBDLO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610216360 1035757569 /nfs/dbraw/zinc/75/75/69/1035757569.db2.gz WCIPYACVBRAQIN-GFCCVEGCSA-N 1 2 316.788 4.195 20 5 DIBDLO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610216360 1035757584 /nfs/dbraw/zinc/75/75/84/1035757584.db2.gz WCIPYACVBRAQIN-GFCCVEGCSA-N 1 2 316.788 4.195 20 5 DIBDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccnc1Cl ZINC000171079584 1038319579 /nfs/dbraw/zinc/31/95/79/1038319579.db2.gz FKFUEPGQDCBDHP-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccnc1Cl ZINC000171079584 1038319593 /nfs/dbraw/zinc/31/95/93/1038319593.db2.gz FKFUEPGQDCBDHP-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO CCc1nc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000178655420 1038906096 /nfs/dbraw/zinc/90/60/96/1038906096.db2.gz KTKGXFWKGGOPKZ-MNOVXSKESA-N 1 2 305.403 4.026 20 5 DIBDLO Cc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1[N+](=O)[O-] ZINC000061556180 1039112180 /nfs/dbraw/zinc/11/21/80/1039112180.db2.gz OMXHPUMMZKBPKC-IBGZPJMESA-N 1 2 322.364 4.375 20 5 DIBDLO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1Cl ZINC000065684173 1039938490 /nfs/dbraw/zinc/93/84/90/1039938490.db2.gz XMVSZTFQBXQGNJ-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1Cl ZINC000065684173 1039938505 /nfs/dbraw/zinc/93/85/05/1039938505.db2.gz XMVSZTFQBXQGNJ-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000492978303 1040049253 /nfs/dbraw/zinc/04/92/53/1040049253.db2.gz XFNYDZKCXXQVBY-OAHLLOKOSA-N 1 2 320.776 4.487 20 5 DIBDLO Cc1ccc([C@H]2CCC[N@H+]2Cc2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000492978303 1040049272 /nfs/dbraw/zinc/04/92/72/1040049272.db2.gz XFNYDZKCXXQVBY-OAHLLOKOSA-N 1 2 320.776 4.487 20 5 DIBDLO CC[C@H](c1ccncc1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179707636 1040522559 /nfs/dbraw/zinc/52/25/59/1040522559.db2.gz YWGLROKDFYXPBX-MRXNPFEDSA-N 1 2 319.792 4.226 20 5 DIBDLO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000179707636 1040522578 /nfs/dbraw/zinc/52/25/78/1040522578.db2.gz YWGLROKDFYXPBX-MRXNPFEDSA-N 1 2 319.792 4.226 20 5 DIBDLO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1c(F)cc(F)cc1F ZINC000815649989 1041984291 /nfs/dbraw/zinc/98/42/91/1041984291.db2.gz DXCXBZYIZLDUOT-JTQLQIEISA-N 1 2 324.302 4.171 20 5 DIBDLO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872018984 1043421642 /nfs/dbraw/zinc/42/16/42/1043421642.db2.gz RDXGKECRUGAOPV-VXGBXAGGSA-N 1 2 318.348 4.154 20 5 DIBDLO C[C@H]([NH2+][C@@H]1CCCc2occc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872020984 1043422220 /nfs/dbraw/zinc/42/22/20/1043422220.db2.gz MFJWACNUXWQKRU-GXFFZTMASA-N 1 2 304.321 4.055 20 5 DIBDLO CCC(CC)n1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000271696291 1043450590 /nfs/dbraw/zinc/45/05/90/1043450590.db2.gz SNVMLFGHCXLHHY-CYBMUJFWSA-N 1 2 316.405 4.003 20 5 DIBDLO C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000354025406 1043674775 /nfs/dbraw/zinc/67/47/75/1043674775.db2.gz DCQHSFDPXVOQKE-AAEUAGOBSA-N 1 2 306.387 4.223 20 5 DIBDLO C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000354025406 1043674778 /nfs/dbraw/zinc/67/47/78/1043674778.db2.gz DCQHSFDPXVOQKE-AAEUAGOBSA-N 1 2 306.387 4.223 20 5 DIBDLO Cc1cc(N[C@@H](C)c2cccc([N+](=O)[O-])c2C)ccc1[NH+](C)C ZINC000777642942 1043724848 /nfs/dbraw/zinc/72/48/48/1043724848.db2.gz GNIUFKOLEZJSDI-AWEZNQCLSA-N 1 2 313.401 4.451 20 5 DIBDLO Cc1ccc([C@@H](C)Nc2ccc([NH+](C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000777642919 1043724893 /nfs/dbraw/zinc/72/48/93/1043724893.db2.gz GHQUGGJJFAJKIB-CQSZACIVSA-N 1 2 313.401 4.451 20 5 DIBDLO CC(C)[N@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360210477 1044245302 /nfs/dbraw/zinc/24/53/02/1044245302.db2.gz YTTKLSNAEHRBHE-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO CC(C)[N@@H+](Cc1cccnc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360210477 1044245312 /nfs/dbraw/zinc/24/53/12/1044245312.db2.gz YTTKLSNAEHRBHE-UHFFFAOYSA-N 1 2 319.792 4.054 20 5 DIBDLO Cc1c(C[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000451846718 1045736084 /nfs/dbraw/zinc/73/60/84/1045736084.db2.gz WUARDXMIXIVICA-QGZVFWFLSA-N 1 2 312.369 4.223 20 5 DIBDLO Cc1c(C[N@H+]2CC3(CCC3)[C@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000451846718 1045736097 /nfs/dbraw/zinc/73/60/97/1045736097.db2.gz WUARDXMIXIVICA-QGZVFWFLSA-N 1 2 312.369 4.223 20 5 DIBDLO Cc1c(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000451846717 1045736663 /nfs/dbraw/zinc/73/66/63/1045736663.db2.gz WUARDXMIXIVICA-KRWDZBQOSA-N 1 2 312.369 4.223 20 5 DIBDLO Cc1c(C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)cccc1[N+](=O)[O-] ZINC000451846717 1045736669 /nfs/dbraw/zinc/73/66/69/1045736669.db2.gz WUARDXMIXIVICA-KRWDZBQOSA-N 1 2 312.369 4.223 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(F)c(F)c1)C1CC1 ZINC000195732296 1046133023 /nfs/dbraw/zinc/13/30/23/1046133023.db2.gz KESFDXQWOXVCBH-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(F)c(F)c1)C1CC1 ZINC000195732296 1046133032 /nfs/dbraw/zinc/13/30/32/1046133032.db2.gz KESFDXQWOXVCBH-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO C[N@H+](Cc1csnn1)Cc1c2ccccc2cc2ccccc21 ZINC001140997327 1046973514 /nfs/dbraw/zinc/97/35/14/1046973514.db2.gz OZDARWYTJSAPMO-UHFFFAOYSA-N 1 2 319.433 4.477 20 5 DIBDLO C[N@@H+](Cc1csnn1)Cc1c2ccccc2cc2ccccc21 ZINC001140997327 1046973526 /nfs/dbraw/zinc/97/35/26/1046973526.db2.gz OZDARWYTJSAPMO-UHFFFAOYSA-N 1 2 319.433 4.477 20 5 DIBDLO Cc1cc(N(C)Cc2ccccc2[N+](=O)[O-])[nH+]c2ccccc12 ZINC001115839325 1047086019 /nfs/dbraw/zinc/08/60/19/1047086019.db2.gz VUZFTHGNDORODS-UHFFFAOYSA-N 1 2 307.353 4.088 20 5 DIBDLO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC001191214894 1048888863 /nfs/dbraw/zinc/88/88/63/1048888863.db2.gz RGPMXJFIYRXBHG-WBMJQRKESA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC001191214894 1048888877 /nfs/dbraw/zinc/88/88/77/1048888877.db2.gz RGPMXJFIYRXBHG-WBMJQRKESA-N 1 2 318.348 4.300 20 5 DIBDLO O=[N+]([O-])c1ccc(Nc2ccc3[nH+]c4ccccc4cc3c2)cn1 ZINC001203579126 1048935408 /nfs/dbraw/zinc/93/54/08/1048935408.db2.gz FGAKTDWOLINQAS-UHFFFAOYSA-N 1 2 316.320 4.435 20 5 DIBDLO C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(F)F ZINC001179437599 1049163534 /nfs/dbraw/zinc/16/35/34/1049163534.db2.gz JZIBSDUUCOMODH-VIFPVBQESA-N 1 2 312.341 4.067 20 5 DIBDLO C[C@@H]([NH2+][C@@H](C)c1ncc(C(C)(C)C)o1)c1ccc([N+](=O)[O-])cc1 ZINC000905851918 1049266447 /nfs/dbraw/zinc/26/64/47/1049266447.db2.gz DGSKOIYHUPOWDB-NEPJUHHUSA-N 1 2 317.389 4.292 20 5 DIBDLO CCCC1CCC([N@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001194052478 1049307770 /nfs/dbraw/zinc/30/77/70/1049307770.db2.gz VWICORMSHBZVFO-UHFFFAOYSA-N 1 2 306.406 4.091 20 5 DIBDLO CCCC1CCC([N@@H+](C)Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001194052478 1049307779 /nfs/dbraw/zinc/30/77/79/1049307779.db2.gz VWICORMSHBZVFO-UHFFFAOYSA-N 1 2 306.406 4.091 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000488118319 1049603253 /nfs/dbraw/zinc/60/32/53/1049603253.db2.gz ZLYXAFJKUZIPDM-CYBMUJFWSA-N 1 2 321.380 4.195 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000488118319 1049603263 /nfs/dbraw/zinc/60/32/63/1049603263.db2.gz ZLYXAFJKUZIPDM-CYBMUJFWSA-N 1 2 321.380 4.195 20 5 DIBDLO Cc1cc([NH+](C)C)ccc1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000864004658 1049613532 /nfs/dbraw/zinc/61/35/32/1049613532.db2.gz UETQUZHJKKVJMI-UHFFFAOYSA-N 1 2 319.792 4.235 20 5 DIBDLO C[C@H]1c2sccc2CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001197431967 1049752912 /nfs/dbraw/zinc/75/29/12/1049752912.db2.gz MDSBLZHIYJRAKG-JTQLQIEISA-N 1 2 322.817 4.429 20 5 DIBDLO C[C@H]1c2sccc2CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001197431967 1049752919 /nfs/dbraw/zinc/75/29/19/1049752919.db2.gz MDSBLZHIYJRAKG-JTQLQIEISA-N 1 2 322.817 4.429 20 5 DIBDLO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccccc3Cl)CC2)c(F)c1 ZINC000592138171 1050273700 /nfs/dbraw/zinc/27/37/00/1050273700.db2.gz VJLAOMBKQGQRHQ-UHFFFAOYSA-N 1 2 320.751 4.166 20 5 DIBDLO CC[N@H+](CCC(F)(F)F)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746662725 1050575964 /nfs/dbraw/zinc/57/59/64/1050575964.db2.gz HGWHAQPUQPVYOT-UHFFFAOYSA-N 1 2 310.703 4.023 20 5 DIBDLO CC[N@@H+](CCC(F)(F)F)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746662725 1050575978 /nfs/dbraw/zinc/57/59/78/1050575978.db2.gz HGWHAQPUQPVYOT-UHFFFAOYSA-N 1 2 310.703 4.023 20 5 DIBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000595315088 1050621797 /nfs/dbraw/zinc/62/17/97/1050621797.db2.gz XCHHNHRDVSMMRV-SNVBAGLBSA-N 1 2 323.393 4.000 20 5 DIBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000595315088 1050621807 /nfs/dbraw/zinc/62/18/07/1050621807.db2.gz XCHHNHRDVSMMRV-SNVBAGLBSA-N 1 2 323.393 4.000 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591183 1050748082 /nfs/dbraw/zinc/74/80/82/1050748082.db2.gz HPRFRXRBDDEMAX-GUYCJALGSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596591183 1050748093 /nfs/dbraw/zinc/74/80/93/1050748093.db2.gz HPRFRXRBDDEMAX-GUYCJALGSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000601319115 1050788052 /nfs/dbraw/zinc/78/80/52/1050788052.db2.gz XCBGACKKZKXZKY-BZNIZROVSA-N 1 2 306.312 4.095 20 5 DIBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000791586238 1051065243 /nfs/dbraw/zinc/06/52/43/1051065243.db2.gz XMZIIGNDFAGHFQ-KWQFWETISA-N 1 2 322.714 4.021 20 5 DIBDLO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000791586238 1051065255 /nfs/dbraw/zinc/06/52/55/1051065255.db2.gz XMZIIGNDFAGHFQ-KWQFWETISA-N 1 2 322.714 4.021 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(Nc2cccc3[nH+]ccn32)c1Cl ZINC001215580740 1051256572 /nfs/dbraw/zinc/25/65/72/1051256572.db2.gz FZBJKNCZEXGWHU-UHFFFAOYSA-N 1 2 323.139 4.293 20 5 DIBDLO Cc1ccc(C[N@@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000493494713 1051629542 /nfs/dbraw/zinc/62/95/42/1051629542.db2.gz ADGQTDBFAAGLSN-UHFFFAOYSA-N 1 2 310.806 4.250 20 5 DIBDLO Cc1ccc(C[N@H+](C)Cc2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000493494713 1051629553 /nfs/dbraw/zinc/62/95/53/1051629553.db2.gz ADGQTDBFAAGLSN-UHFFFAOYSA-N 1 2 310.806 4.250 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000610079976 1053006862 /nfs/dbraw/zinc/00/68/62/1053006862.db2.gz RAPIABDMXIYIPN-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2c(Cl)cccc2C1 ZINC000610079976 1053006864 /nfs/dbraw/zinc/00/68/64/1053006864.db2.gz RAPIABDMXIYIPN-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H](c1ccco1)[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000175688068 1053008230 /nfs/dbraw/zinc/00/82/30/1053008230.db2.gz DIXRRHCGGOQBJT-LLVKDONJSA-N 1 2 304.321 4.053 20 5 DIBDLO C[C@H](c1ccco1)[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000175688068 1053008233 /nfs/dbraw/zinc/00/82/33/1053008233.db2.gz DIXRRHCGGOQBJT-LLVKDONJSA-N 1 2 304.321 4.053 20 5 DIBDLO C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000183493153 1053665725 /nfs/dbraw/zinc/66/57/25/1053665725.db2.gz WDWWHGVQSONUGQ-IINYFYTJSA-N 1 2 320.776 4.254 20 5 DIBDLO Cc1ccc([C@H](C)[NH2+]Cc2csc(C(C)C)n2)cc1[N+](=O)[O-] ZINC001620818187 1056078916 /nfs/dbraw/zinc/07/89/16/1056078916.db2.gz PDTIHIFPVOFNJP-LBPRGKRZSA-N 1 2 319.430 4.334 20 5 DIBDLO Cc1cccc(CCCNc2ccc([N+](=O)[O-])cc2C(F)F)[nH+]1 ZINC001612362371 1056277209 /nfs/dbraw/zinc/27/72/09/1056277209.db2.gz MQHFOYMVLZBFJM-UHFFFAOYSA-N 1 2 321.327 4.281 20 5 DIBDLO O=[N+]([O-])c1ccc2sc(/C=C/c3c[nH+]c4ccccn34)nc2c1 ZINC000133161911 1057167120 /nfs/dbraw/zinc/16/71/20/1057167120.db2.gz NSGLLAGGWSOEHB-FNORWQNLSA-N 1 2 322.349 4.023 20 5 DIBDLO Cc1cc(Nc2ccc(NC3CCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC001559090834 1058982054 /nfs/dbraw/zinc/98/20/54/1058982054.db2.gz QRKFUODHTGLXHQ-UHFFFAOYSA-N 1 2 312.373 4.396 20 5 DIBDLO CCCCC[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC001559685208 1059513584 /nfs/dbraw/zinc/51/35/84/1059513584.db2.gz VOQATBYLQDJXNX-INIZCTEOSA-N 1 2 308.422 4.385 20 5 DIBDLO C[C@H]1c2sccc2CC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001560113107 1059921062 /nfs/dbraw/zinc/92/10/62/1059921062.db2.gz YOLIIDNITWANCT-JTQLQIEISA-N 1 2 322.817 4.429 20 5 DIBDLO C[C@H]1c2sccc2CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001560113107 1059921072 /nfs/dbraw/zinc/92/10/72/1059921072.db2.gz YOLIIDNITWANCT-JTQLQIEISA-N 1 2 322.817 4.429 20 5 DIBDLO Cc1ccc(CNc2[nH+]c3ccccc3n2C(C)C)cc1[N+](=O)[O-] ZINC001560574382 1060387219 /nfs/dbraw/zinc/38/72/19/1060387219.db2.gz AAVNIRHKFRLGPF-UHFFFAOYSA-N 1 2 324.384 4.446 20 5 DIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC001473280738 1061051522 /nfs/dbraw/zinc/05/15/22/1061051522.db2.gz VAAVAXGLAVMAKX-INIZCTEOSA-N 1 2 318.417 4.235 20 5 DIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC001473280738 1061051535 /nfs/dbraw/zinc/05/15/35/1061051535.db2.gz VAAVAXGLAVMAKX-INIZCTEOSA-N 1 2 318.417 4.235 20 5 DIBDLO Cc1ccc([N+](=O)[O-])cc1-c1[nH]c2ccc(N3CCCC3)cc2[nH+]1 ZINC001250871533 1061102283 /nfs/dbraw/zinc/10/22/83/1061102283.db2.gz CACMGZYBYUDLCW-UHFFFAOYSA-N 1 2 322.368 4.047 20 5 DIBDLO Cc1c(C[NH2+][C@@H](C(F)F)C2CCCCC2)cccc1[N+](=O)[O-] ZINC001473657253 1061321562 /nfs/dbraw/zinc/32/15/62/1061321562.db2.gz ITXUGVLOWWOUKP-OAHLLOKOSA-N 1 2 312.360 4.207 20 5 DIBDLO CCN(CC)c1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC001458109042 1061572528 /nfs/dbraw/zinc/57/25/28/1061572528.db2.gz OPIWPWVARJCHQZ-UHFFFAOYSA-N 1 2 320.780 4.233 20 5 DIBDLO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001459605242 1062239607 /nfs/dbraw/zinc/23/96/07/1062239607.db2.gz CITCTPQZKZLODI-YVEFUNNKSA-N 1 2 316.788 4.441 20 5 DIBDLO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC001459605242 1062239612 /nfs/dbraw/zinc/23/96/12/1062239612.db2.gz CITCTPQZKZLODI-YVEFUNNKSA-N 1 2 316.788 4.441 20 5 DIBDLO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001459718673 1062333928 /nfs/dbraw/zinc/33/39/28/1062333928.db2.gz DOSDJOMNFJBYPX-OAHLLOKOSA-N 1 2 306.406 4.091 20 5 DIBDLO CC(C)CC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC001459718673 1062333948 /nfs/dbraw/zinc/33/39/48/1062333948.db2.gz DOSDJOMNFJBYPX-OAHLLOKOSA-N 1 2 306.406 4.091 20 5 DIBDLO Cc1c(Cl)ccc2c1C[N@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001460668003 1062974403 /nfs/dbraw/zinc/97/44/03/1062974403.db2.gz WHFNMZDCRINDTP-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO Cc1c(Cl)ccc2c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001460668003 1062974429 /nfs/dbraw/zinc/97/44/29/1062974429.db2.gz WHFNMZDCRINDTP-UHFFFAOYSA-N 1 2 316.788 4.115 20 5 DIBDLO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc21 ZINC001460748864 1063035108 /nfs/dbraw/zinc/03/51/08/1063035108.db2.gz ZSGRSMYZZWMHCF-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)Cc2ccccc21 ZINC001460748864 1063035130 /nfs/dbraw/zinc/03/51/30/1063035130.db2.gz ZSGRSMYZZWMHCF-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO CC[N@@H+](c1ccc(Nc2nccc(C)c2[N+](=O)[O-])cc1)C(C)C ZINC001306926006 1065208235 /nfs/dbraw/zinc/20/82/35/1065208235.db2.gz MOVBJCWCFICFNC-UHFFFAOYSA-N 1 2 314.389 4.277 20 5 DIBDLO CC[N@H+](c1ccc(Nc2nccc(C)c2[N+](=O)[O-])cc1)C(C)C ZINC001306926006 1065208244 /nfs/dbraw/zinc/20/82/44/1065208244.db2.gz MOVBJCWCFICFNC-UHFFFAOYSA-N 1 2 314.389 4.277 20 5 DIBDLO CC1(c2ccccc2)C[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001308873856 1066353154 /nfs/dbraw/zinc/35/31/54/1066353154.db2.gz PJPMISYUPBYGTB-UHFFFAOYSA-N 1 2 316.788 4.022 20 5 DIBDLO COc1cccc(Cl)c1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000318148551 332611917 /nfs/dbraw/zinc/61/19/17/332611917.db2.gz GZJCCMHDSASBDZ-NSHDSACASA-N 1 2 320.776 4.108 20 5 DIBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000181755382 333032316 /nfs/dbraw/zinc/03/23/16/333032316.db2.gz DHIQZSQFUPUSNK-JTQLQIEISA-N 1 2 308.740 4.238 20 5 DIBDLO C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000319331429 333283993 /nfs/dbraw/zinc/28/39/93/333283993.db2.gz MUZKUGTUPWHSNG-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000319331429 333283995 /nfs/dbraw/zinc/28/39/95/333283995.db2.gz MUZKUGTUPWHSNG-NSHDSACASA-N 1 2 306.312 4.066 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)cs1 ZINC000535068265 334363515 /nfs/dbraw/zinc/36/35/15/334363515.db2.gz KDIGFADJQOIRIO-UHFFFAOYSA-N 1 2 318.373 4.085 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cs1 ZINC000535068265 334363516 /nfs/dbraw/zinc/36/35/16/334363516.db2.gz KDIGFADJQOIRIO-UHFFFAOYSA-N 1 2 318.373 4.085 20 5 DIBDLO CC[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000301602648 336317754 /nfs/dbraw/zinc/31/77/54/336317754.db2.gz WKVHQCUEIOEAKI-OAHLLOKOSA-N 1 2 314.389 4.380 20 5 DIBDLO Cc1cc(NCc2ccc([N+](=O)[O-])cc2)c2cccc(F)c2[nH+]1 ZINC000301695491 336324063 /nfs/dbraw/zinc/32/40/63/336324063.db2.gz YOSZNPJBMUKTSH-UHFFFAOYSA-N 1 2 311.316 4.203 20 5 DIBDLO Cc1cc(NCc2ccc([N+](=O)[O-])cc2Cl)nc(C(C)C)[nH+]1 ZINC000302209059 336353985 /nfs/dbraw/zinc/35/39/85/336353985.db2.gz LOTUTZPUSZNBDE-UHFFFAOYSA-N 1 2 320.780 4.082 20 5 DIBDLO COc1ccc2[nH+]c(NCc3cccc([N+](=O)[O-])c3C)ccc2c1 ZINC000302720926 336366412 /nfs/dbraw/zinc/36/64/12/336366412.db2.gz LYIXEAFYGZVSCF-UHFFFAOYSA-N 1 2 323.352 4.072 20 5 DIBDLO CC[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1c(C)noc1C ZINC000119877980 337867325 /nfs/dbraw/zinc/86/73/25/337867325.db2.gz IQLLRWWMZXIJTJ-CYBMUJFWSA-N 1 2 323.780 4.094 20 5 DIBDLO CC(C)([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])c1ccccc1F ZINC000429266683 338075283 /nfs/dbraw/zinc/07/52/83/338075283.db2.gz UZIYSRRFMCHPSB-UHFFFAOYSA-N 1 2 322.767 4.412 20 5 DIBDLO C[N@H+](Cc1cccc(Cl)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505629070 340173419 /nfs/dbraw/zinc/17/34/19/340173419.db2.gz FBISIIMVHRMXSQ-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1cccc(Cl)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505629070 340173420 /nfs/dbraw/zinc/17/34/20/340173420.db2.gz FBISIIMVHRMXSQ-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO Cc1ccc(COc2cc(C)c([N+](=O)[O-])cc2Cl)c(C)[nH+]1 ZINC000506434220 340194544 /nfs/dbraw/zinc/19/45/44/340194544.db2.gz UOPRYRIMHJYKKP-UHFFFAOYSA-N 1 2 306.749 4.147 20 5 DIBDLO CC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1 ZINC000507130949 340208558 /nfs/dbraw/zinc/20/85/58/340208558.db2.gz BAXFKYHSHGEVLK-UHFFFAOYSA-N 1 2 310.806 4.332 20 5 DIBDLO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1 ZINC000507130949 340208559 /nfs/dbraw/zinc/20/85/59/340208559.db2.gz BAXFKYHSHGEVLK-UHFFFAOYSA-N 1 2 310.806 4.332 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@H+](Cc2cc(F)ccc2F)C2CC2)c1 ZINC000507176209 340211371 /nfs/dbraw/zinc/21/13/71/340211371.db2.gz XXGSSGQBTQZRHZ-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@@H+](Cc2cc(F)ccc2F)C2CC2)c1 ZINC000507176209 340211372 /nfs/dbraw/zinc/21/13/72/340211372.db2.gz XXGSSGQBTQZRHZ-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509814290 340279867 /nfs/dbraw/zinc/27/98/67/340279867.db2.gz SUUOBDNUGMWFPY-JTQLQIEISA-N 1 2 324.302 4.205 20 5 DIBDLO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509814290 340279868 /nfs/dbraw/zinc/27/98/68/340279868.db2.gz SUUOBDNUGMWFPY-JTQLQIEISA-N 1 2 324.302 4.205 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000511586511 340331566 /nfs/dbraw/zinc/33/15/66/340331566.db2.gz RJBLJTYWSNNWSG-MRXNPFEDSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000511586511 340331567 /nfs/dbraw/zinc/33/15/67/340331567.db2.gz RJBLJTYWSNNWSG-MRXNPFEDSA-N 1 2 302.761 4.195 20 5 DIBDLO C[N@H+](Cc1cccc(F)c1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000549343743 341291750 /nfs/dbraw/zinc/29/17/50/341291750.db2.gz NJKJXVDEXLZBIP-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1cccc(F)c1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000549343743 341291751 /nfs/dbraw/zinc/29/17/51/341291751.db2.gz NJKJXVDEXLZBIP-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC000552065114 341366659 /nfs/dbraw/zinc/36/66/59/341366659.db2.gz FLFFPNMIBCWURB-SUQGKYDKSA-N 1 2 323.396 4.086 20 5 DIBDLO CC1(C)C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1c1ccncc1 ZINC000552065114 341366660 /nfs/dbraw/zinc/36/66/60/341366660.db2.gz FLFFPNMIBCWURB-SUQGKYDKSA-N 1 2 323.396 4.086 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC3(CCC3)[C@@H]2c2ccccc2)cs1 ZINC000552085888 341368469 /nfs/dbraw/zinc/36/84/69/341368469.db2.gz QIWNONCWZQWYSJ-INIZCTEOSA-N 1 2 314.410 4.384 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)cs1 ZINC000552085888 341368470 /nfs/dbraw/zinc/36/84/70/341368470.db2.gz QIWNONCWZQWYSJ-INIZCTEOSA-N 1 2 314.410 4.384 20 5 DIBDLO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cscn1 ZINC000568783101 341681570 /nfs/dbraw/zinc/68/15/70/341681570.db2.gz MJUMWDSRJPRHJK-IINYFYTJSA-N 1 2 317.414 4.125 20 5 DIBDLO CCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000162332225 522422004 /nfs/dbraw/zinc/42/20/04/522422004.db2.gz WPGCQBAUSFKUHV-VXGBXAGGSA-N 1 2 319.430 4.334 20 5 DIBDLO CCc1nc([C@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000266481313 522453392 /nfs/dbraw/zinc/45/33/92/522453392.db2.gz QEDRZGTZCPNABJ-MNOVXSKESA-N 1 2 305.403 4.026 20 5 DIBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])s1 ZINC000106874760 526743240 /nfs/dbraw/zinc/74/32/40/526743240.db2.gz UDLDPRMQECYEQK-SNVBAGLBSA-N 1 2 323.393 4.000 20 5 DIBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])s1 ZINC000106874760 526743244 /nfs/dbraw/zinc/74/32/44/526743244.db2.gz UDLDPRMQECYEQK-SNVBAGLBSA-N 1 2 323.393 4.000 20 5 DIBDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])s1 ZINC000106874763 526750512 /nfs/dbraw/zinc/75/05/12/526750512.db2.gz UDLDPRMQECYEQK-JTQLQIEISA-N 1 2 323.393 4.000 20 5 DIBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])s1 ZINC000106874763 526750520 /nfs/dbraw/zinc/75/05/20/526750520.db2.gz UDLDPRMQECYEQK-JTQLQIEISA-N 1 2 323.393 4.000 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505311 1037614810 /nfs/dbraw/zinc/61/48/10/1037614810.db2.gz GLKMICIRBFLKAI-SJKOYZFVSA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610505311 1037614818 /nfs/dbraw/zinc/61/48/18/1037614818.db2.gz GLKMICIRBFLKAI-SJKOYZFVSA-N 1 2 300.333 4.242 20 5 DIBDLO CCC[C@@H](Nc1cc(COC)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000593724696 1038269753 /nfs/dbraw/zinc/26/97/53/1038269753.db2.gz GWVPAQWCOQXCDT-MRXNPFEDSA-N 1 2 315.373 4.090 20 5 DIBDLO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167544723 1038567371 /nfs/dbraw/zinc/56/73/71/1038567371.db2.gz UIZDMKSNAZHQLC-LBPRGKRZSA-N 1 2 316.788 4.195 20 5 DIBDLO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001167544723 1038567376 /nfs/dbraw/zinc/56/73/76/1038567376.db2.gz UIZDMKSNAZHQLC-LBPRGKRZSA-N 1 2 316.788 4.195 20 5 DIBDLO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001167548798 1038584252 /nfs/dbraw/zinc/58/42/52/1038584252.db2.gz HQEACDDNWGMDGC-ZDUSSCGKSA-N 1 2 308.381 4.160 20 5 DIBDLO C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001167548798 1038584260 /nfs/dbraw/zinc/58/42/60/1038584260.db2.gz HQEACDDNWGMDGC-ZDUSSCGKSA-N 1 2 308.381 4.160 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC000179674499 1040522893 /nfs/dbraw/zinc/52/28/93/1040522893.db2.gz GWMRGDRMQCWBFN-UHFFFAOYSA-N 1 2 320.751 4.166 20 5 DIBDLO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1 ZINC000066236365 1040738006 /nfs/dbraw/zinc/73/80/06/1040738006.db2.gz ROASECIOMKVLGC-GOSISDBHSA-N 1 2 308.337 4.067 20 5 DIBDLO Cc1ccc([C@H](C)[NH2+]Cc2c(F)cc(F)cc2F)cc1[N+](=O)[O-] ZINC000815650214 1041986001 /nfs/dbraw/zinc/98/60/01/1041986001.db2.gz LSSDXRGNLKCZLT-JTQLQIEISA-N 1 2 324.302 4.171 20 5 DIBDLO Cc1sccc1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000816482495 1042056516 /nfs/dbraw/zinc/05/65/16/1042056516.db2.gz HYSFPHITAXSGDP-UHFFFAOYSA-N 1 2 310.806 4.250 20 5 DIBDLO Cc1sccc1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000816482495 1042056522 /nfs/dbraw/zinc/05/65/22/1042056522.db2.gz HYSFPHITAXSGDP-UHFFFAOYSA-N 1 2 310.806 4.250 20 5 DIBDLO Cc1cc(CNc2ccc([N+](=O)[O-])cc2C(F)F)cc(C)[nH+]1 ZINC000865882999 1043143390 /nfs/dbraw/zinc/14/33/90/1043143390.db2.gz DZBTUIFENFKCCS-UHFFFAOYSA-N 1 2 307.300 4.156 20 5 DIBDLO Cc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000268866447 1043337815 /nfs/dbraw/zinc/33/78/15/1043337815.db2.gz FOYWYISMCDMSSD-GHMZBOCLSA-N 1 2 305.403 4.080 20 5 DIBDLO C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872020987 1043421254 /nfs/dbraw/zinc/42/12/54/1043421254.db2.gz MFJWACNUXWQKRU-ZWNOBZJWSA-N 1 2 304.321 4.055 20 5 DIBDLO C[C@@H]([NH2+][C@H]1CSc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872034542 1043428877 /nfs/dbraw/zinc/42/88/77/1043428877.db2.gz JXNJDKJSVNTWPU-MFKMUULPSA-N 1 2 318.373 4.232 20 5 DIBDLO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000872084853 1043453726 /nfs/dbraw/zinc/45/37/26/1043453726.db2.gz LDMVBHSSFVGSOC-ZJUUUORDSA-N 1 2 323.443 4.185 20 5 DIBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cscn1 ZINC000872084848 1043454531 /nfs/dbraw/zinc/45/45/31/1043454531.db2.gz LDMVBHSSFVGSOC-UWVGGRQHSA-N 1 2 323.443 4.185 20 5 DIBDLO C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000354025408 1043674540 /nfs/dbraw/zinc/67/45/40/1043674540.db2.gz DCQHSFDPXVOQKE-WCQYABFASA-N 1 2 306.387 4.223 20 5 DIBDLO C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000354025408 1043674542 /nfs/dbraw/zinc/67/45/42/1043674542.db2.gz DCQHSFDPXVOQKE-WCQYABFASA-N 1 2 306.387 4.223 20 5 DIBDLO Cc1ccc([C@H](C)Nc2ccc([NH+](C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000777642917 1043725379 /nfs/dbraw/zinc/72/53/79/1043725379.db2.gz GHQUGGJJFAJKIB-AWEZNQCLSA-N 1 2 313.401 4.451 20 5 DIBDLO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cscn1 ZINC000568783102 1044649138 /nfs/dbraw/zinc/64/91/38/1044649138.db2.gz MJUMWDSRJPRHJK-QMTHXVAHSA-N 1 2 317.414 4.125 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451853915 1045734304 /nfs/dbraw/zinc/73/43/04/1045734304.db2.gz MITIXRICKVOZLM-DYVFJYSZSA-N 1 2 312.369 4.476 20 5 DIBDLO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451853915 1045734312 /nfs/dbraw/zinc/73/43/12/1045734312.db2.gz MITIXRICKVOZLM-DYVFJYSZSA-N 1 2 312.369 4.476 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533513138 1046739509 /nfs/dbraw/zinc/73/95/09/1046739509.db2.gz VUPBLTIUHSNUPE-ZDUSSCGKSA-N 1 2 321.380 4.195 20 5 DIBDLO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000533513138 1046739523 /nfs/dbraw/zinc/73/95/23/1046739523.db2.gz VUPBLTIUHSNUPE-ZDUSSCGKSA-N 1 2 321.380 4.195 20 5 DIBDLO CC(C)C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000553865518 1047958505 /nfs/dbraw/zinc/95/85/05/1047958505.db2.gz OYOVHVJBBATSTP-UHFFFAOYSA-N 1 2 322.405 4.454 20 5 DIBDLO CC(C)C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000553865518 1047958511 /nfs/dbraw/zinc/95/85/11/1047958511.db2.gz OYOVHVJBBATSTP-UHFFFAOYSA-N 1 2 322.405 4.454 20 5 DIBDLO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC001191214888 1048888135 /nfs/dbraw/zinc/88/81/35/1048888135.db2.gz RGPMXJFIYRXBHG-BLLLJJGKSA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC001191214888 1048888155 /nfs/dbraw/zinc/88/81/55/1048888155.db2.gz RGPMXJFIYRXBHG-BLLLJJGKSA-N 1 2 318.348 4.300 20 5 DIBDLO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000339003197 1049140120 /nfs/dbraw/zinc/14/01/20/1049140120.db2.gz YDVFRXUPJAYOIJ-OAHLLOKOSA-N 1 2 318.398 4.007 20 5 DIBDLO Cc1ccc([C@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000339003197 1049140127 /nfs/dbraw/zinc/14/01/27/1049140127.db2.gz YDVFRXUPJAYOIJ-OAHLLOKOSA-N 1 2 318.398 4.007 20 5 DIBDLO C[N@H+](Cc1cccc(F)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037389161 1049142415 /nfs/dbraw/zinc/14/24/15/1049142415.db2.gz XVHGCXQGKFUABY-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1cccc(F)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037389161 1049142424 /nfs/dbraw/zinc/14/24/24/1049142424.db2.gz XVHGCXQGKFUABY-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(F)F ZINC001179437598 1049163972 /nfs/dbraw/zinc/16/39/72/1049163972.db2.gz JZIBSDUUCOMODH-SECBINFHSA-N 1 2 312.341 4.067 20 5 DIBDLO c1nn2cccnc2c1Nc1ccc2[nH+]c3ccccc3cc2c1 ZINC001205997607 1049623848 /nfs/dbraw/zinc/62/38/48/1049623848.db2.gz SRXPXVLKMIVZPE-UHFFFAOYSA-N 1 2 311.348 4.174 20 5 DIBDLO CC1(C)C[C@H]([NH2+][C@H]2CCCC2(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000588232467 1049976746 /nfs/dbraw/zinc/97/67/46/1049976746.db2.gz IJMKUUKZMLMLMX-KBPBESRZSA-N 1 2 310.344 4.095 20 5 DIBDLO CC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccccc1F ZINC000593061151 1050362018 /nfs/dbraw/zinc/36/20/18/1050362018.db2.gz OEASQDXOBLBPGV-INIZCTEOSA-N 1 2 324.302 4.253 20 5 DIBDLO O=[N+]([O-])c1cc(Nc2cc[nH+]c3ccc(Cl)cc23)ccc1F ZINC001211190049 1050509269 /nfs/dbraw/zinc/50/92/69/1050509269.db2.gz IMNYZOUFBHJLIY-UHFFFAOYSA-N 1 2 317.707 4.101 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000746675675 1050588337 /nfs/dbraw/zinc/58/83/37/1050588337.db2.gz VBABVAUAVZYQRT-UHFFFAOYSA-N 1 2 322.714 4.023 20 5 DIBDLO C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000740003920 1050595589 /nfs/dbraw/zinc/59/55/89/1050595589.db2.gz CDXGLEQJAOHEJE-HZMBPMFUSA-N 1 2 320.776 4.254 20 5 DIBDLO CCCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)c1ccc(C)o1 ZINC000595297623 1050619153 /nfs/dbraw/zinc/61/91/53/1050619153.db2.gz XNQFELWSYASYPL-CYBMUJFWSA-N 1 2 321.377 4.156 20 5 DIBDLO CCCC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H](C)c1ccc(C)o1 ZINC000595297623 1050619161 /nfs/dbraw/zinc/61/91/61/1050619161.db2.gz XNQFELWSYASYPL-CYBMUJFWSA-N 1 2 321.377 4.156 20 5 DIBDLO Cc1noc(C[NH2+]C(C)(C)c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000595373901 1050631137 /nfs/dbraw/zinc/63/11/37/1050631137.db2.gz XJKILUSLISBIBM-UHFFFAOYSA-N 1 2 317.389 4.040 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596590417 1050749332 /nfs/dbraw/zinc/74/93/32/1050749332.db2.gz DQYOTTSEAOOIJD-SUMWQHHRSA-N 1 2 311.385 4.134 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596590417 1050749351 /nfs/dbraw/zinc/74/93/51/1050749351.db2.gz DQYOTTSEAOOIJD-SUMWQHHRSA-N 1 2 311.385 4.134 20 5 DIBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000601319097 1050787941 /nfs/dbraw/zinc/78/79/41/1050787941.db2.gz WPJDAGMTRIAACP-HOTGVXAUSA-N 1 2 318.323 4.022 20 5 DIBDLO Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)c([N+](=O)[O-])c1 ZINC001214165411 1050837443 /nfs/dbraw/zinc/83/74/43/1050837443.db2.gz TWGKZQVUQZIJQF-UHFFFAOYSA-N 1 2 312.373 4.032 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(Nc2cccn3cc[nH+]c23)c1Cl ZINC001215582727 1051256721 /nfs/dbraw/zinc/25/67/21/1051256721.db2.gz ZBVYDSPFZLJEER-UHFFFAOYSA-N 1 2 323.139 4.293 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CCCc3sccc3C2)ccc1Cl ZINC000768541605 1051943328 /nfs/dbraw/zinc/94/33/28/1051943328.db2.gz JGDYIUSUUNGIJB-UHFFFAOYSA-N 1 2 322.817 4.258 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+]2CCCc3sccc3C2)ccc1Cl ZINC000768541605 1051943334 /nfs/dbraw/zinc/94/33/34/1051943334.db2.gz JGDYIUSUUNGIJB-UHFFFAOYSA-N 1 2 322.817 4.258 20 5 DIBDLO C[C@@H](c1ccco1)[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000175688049 1053008314 /nfs/dbraw/zinc/00/83/14/1053008314.db2.gz DIXRRHCGGOQBJT-NSHDSACASA-N 1 2 304.321 4.053 20 5 DIBDLO C[C@@H](c1ccco1)[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000175688049 1053008317 /nfs/dbraw/zinc/00/83/17/1053008317.db2.gz DIXRRHCGGOQBJT-NSHDSACASA-N 1 2 304.321 4.053 20 5 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DIBDLO C[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1Cl ZINC000503616016 340132535 /nfs/dbraw/zinc/13/25/35/340132535.db2.gz IVYWDDFQTUTKOK-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1Cl ZINC000503616016 340132536 /nfs/dbraw/zinc/13/25/36/340132536.db2.gz IVYWDDFQTUTKOK-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000505609135 340172697 /nfs/dbraw/zinc/17/26/97/340172697.db2.gz IQNIUWWIYWMYFN-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000505609135 340172698 /nfs/dbraw/zinc/17/26/98/340172698.db2.gz IQNIUWWIYWMYFN-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000505608478 340172773 /nfs/dbraw/zinc/17/27/73/340172773.db2.gz IYSBHAVPBVOJNT-MRXNPFEDSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000505608478 340172774 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CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)Cc1c(F)cccc1F ZINC000507274764 340216366 /nfs/dbraw/zinc/21/63/66/340216366.db2.gz RPAYPIFGIBACLU-UHFFFAOYSA-N 1 2 320.339 4.204 20 5 DIBDLO C[C@@H]1C[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000509657011 340276015 /nfs/dbraw/zinc/27/60/15/340276015.db2.gz ZJXTWLITWCSJCE-PIGZYNQJSA-N 1 2 318.323 4.066 20 5 DIBDLO C[C@@H]1C[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000509657011 340276016 /nfs/dbraw/zinc/27/60/16/340276016.db2.gz ZJXTWLITWCSJCE-PIGZYNQJSA-N 1 2 318.323 4.066 20 5 DIBDLO O=[N+]([O-])c1ccc(-c2ccc(CNc3cccc[nH+]3)s2)cc1 ZINC000539423031 340885054 /nfs/dbraw/zinc/88/50/54/340885054.db2.gz BZOIMRUDNFDVBP-UHFFFAOYSA-N 1 2 311.366 4.330 20 5 DIBDLO Cc1ccc(OCc2ccc(C(C)C)[nH+]c2C)c([N+](=O)[O-])c1 ZINC000549340689 341291531 /nfs/dbraw/zinc/29/15/31/341291531.db2.gz XIRDCLMCNLERRN-UHFFFAOYSA-N 1 2 300.358 4.309 20 5 DIBDLO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1c(F)cccc1F ZINC000552120134 341370892 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5 DIBDLO CC[N@H+](Cc1ccccc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000603598815 1038253633 /nfs/dbraw/zinc/25/36/33/1038253633.db2.gz ZMOFLWRKCVFLNW-UHFFFAOYSA-N 1 2 304.777 4.270 20 5 DIBDLO CC[N@@H+](Cc1ccccc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000603598815 1038253645 /nfs/dbraw/zinc/25/36/45/1038253645.db2.gz ZMOFLWRKCVFLNW-UHFFFAOYSA-N 1 2 304.777 4.270 20 5 DIBDLO CCC[C@H](Nc1cc(COC)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000593724695 1038268984 /nfs/dbraw/zinc/26/89/84/1038268984.db2.gz GWVPAQWCOQXCDT-INIZCTEOSA-N 1 2 315.373 4.090 20 5 DIBDLO CC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(Cl)c1 ZINC000603934242 1038330181 /nfs/dbraw/zinc/33/01/81/1038330181.db2.gz ZWAYZNUCEDRJQU-UHFFFAOYSA-N 1 2 310.806 4.332 20 5 DIBDLO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1cccc(Cl)c1 ZINC000603934242 1038330191 /nfs/dbraw/zinc/33/01/91/1038330191.db2.gz ZWAYZNUCEDRJQU-UHFFFAOYSA-N 1 2 310.806 4.332 20 5 DIBDLO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172180067 1038561909 /nfs/dbraw/zinc/56/19/09/1038561909.db2.gz DSVUYAWCRUDGFX-NSHDSACASA-N 1 2 320.776 4.147 20 5 DIBDLO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172180067 1038561919 /nfs/dbraw/zinc/56/19/19/1038561919.db2.gz DSVUYAWCRUDGFX-NSHDSACASA-N 1 2 320.776 4.147 20 5 DIBDLO C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000534235841 1039016911 /nfs/dbraw/zinc/01/69/11/1039016911.db2.gz ZZDSSSTWIQMMFQ-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000534235841 1039016928 /nfs/dbraw/zinc/01/69/28/1039016928.db2.gz ZZDSSSTWIQMMFQ-UHFFFAOYSA-N 1 2 308.740 4.019 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c(Cl)c1 ZINC000542001615 1042234130 /nfs/dbraw/zinc/23/41/30/1042234130.db2.gz SYCOWLLMUYAWDU-INIZCTEOSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c(Cl)c1 ZINC000542001615 1042234135 /nfs/dbraw/zinc/23/41/35/1042234135.db2.gz SYCOWLLMUYAWDU-INIZCTEOSA-N 1 2 302.761 4.195 20 5 DIBDLO CC1(C)C[C@H](Nc2ccc3c(c2)CC[NH2+]3)c2cc([N+](=O)[O-])ccc21 ZINC000423220576 1042701405 /nfs/dbraw/zinc/70/14/05/1042701405.db2.gz VRPISPLEQZFATR-SFHVURJKSA-N 1 2 323.396 4.397 20 5 DIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000517123924 1042868661 /nfs/dbraw/zinc/86/86/61/1042868661.db2.gz BHVMVRLNWIFBBC-CYBMUJFWSA-N 1 2 318.373 4.168 20 5 DIBDLO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000517123924 1042868669 /nfs/dbraw/zinc/86/86/69/1042868669.db2.gz BHVMVRLNWIFBBC-CYBMUJFWSA-N 1 2 318.373 4.168 20 5 DIBDLO CCC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ncccc1Cl ZINC000925310686 1043411076 /nfs/dbraw/zinc/41/10/76/1043411076.db2.gz OQBREUSPUWWOFY-CQSZACIVSA-N 1 2 319.792 4.274 20 5 DIBDLO C[C@H]([NH2+][C@H]1CCCc2occc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872020983 1043421109 /nfs/dbraw/zinc/42/11/09/1043421109.db2.gz MFJWACNUXWQKRU-GWCFXTLKSA-N 1 2 304.321 4.055 20 5 DIBDLO C[C@@H]([NH2+][C@H]1CCCc2occc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872020986 1043421130 /nfs/dbraw/zinc/42/11/30/1043421130.db2.gz MFJWACNUXWQKRU-MFKMUULPSA-N 1 2 304.321 4.055 20 5 DIBDLO C[C@H]([NH2+][C@@H]1CSc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872034541 1043428223 /nfs/dbraw/zinc/42/82/23/1043428223.db2.gz JXNJDKJSVNTWPU-GXFFZTMASA-N 1 2 318.373 4.232 20 5 DIBDLO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1F)c1c(F)cccc1[N+](=O)[O-] ZINC000872054416 1043437568 /nfs/dbraw/zinc/43/75/68/1043437568.db2.gz VNYWSWGEWREAEU-VHSXEESVSA-N 1 2 324.302 4.424 20 5 DIBDLO CCC(CC)n1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000271696293 1043449531 /nfs/dbraw/zinc/44/95/31/1043449531.db2.gz SNVMLFGHCXLHHY-ZDUSSCGKSA-N 1 2 316.405 4.003 20 5 DIBDLO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cscn1 ZINC000872084851 1043453691 /nfs/dbraw/zinc/45/36/91/1043453691.db2.gz LDMVBHSSFVGSOC-VHSXEESVSA-N 1 2 323.443 4.185 20 5 DIBDLO C[C@H]([NH2+]Cc1cc(C(F)(F)F)co1)c1ccccc1[N+](=O)[O-] ZINC000878373774 1043882384 /nfs/dbraw/zinc/88/23/84/1043882384.db2.gz OJZWZXJEELNLRG-VIFPVBQESA-N 1 2 314.263 4.057 20 5 DIBDLO Cc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1F ZINC001168045233 1044025830 /nfs/dbraw/zinc/02/58/30/1044025830.db2.gz XOCXMLJARDBWQV-UHFFFAOYSA-N 1 2 322.767 4.328 20 5 DIBDLO Cc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1F ZINC001168045233 1044025847 /nfs/dbraw/zinc/02/58/47/1044025847.db2.gz XOCXMLJARDBWQV-UHFFFAOYSA-N 1 2 322.767 4.328 20 5 DIBDLO CC(C)c1ccc(C[NH2+][C@H](C)c2cscn2)cc1[N+](=O)[O-] ZINC000565244949 1044423044 /nfs/dbraw/zinc/42/30/44/1044423044.db2.gz USFJCUSXJSPGBT-LLVKDONJSA-N 1 2 305.403 4.026 20 5 DIBDLO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)c1cscn1 ZINC000568783100 1044648140 /nfs/dbraw/zinc/64/81/40/1044648140.db2.gz MJUMWDSRJPRHJK-HZMBPMFUSA-N 1 2 317.414 4.125 20 5 DIBDLO Cc1nc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)sc1C ZINC000088579638 1044674346 /nfs/dbraw/zinc/67/43/46/1044674346.db2.gz LOADASIZAUSGRS-UHFFFAOYSA-N 1 2 319.430 4.079 20 5 DIBDLO Cc1nc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)sc1C ZINC000088579638 1044674357 /nfs/dbraw/zinc/67/43/57/1044674357.db2.gz LOADASIZAUSGRS-UHFFFAOYSA-N 1 2 319.430 4.079 20 5 DIBDLO C[C@H](c1ccc(F)cc1F)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000195594331 1046124066 /nfs/dbraw/zinc/12/40/66/1046124066.db2.gz MYJBJHWZQHCNQX-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO C[C@H](c1ccc(F)cc1F)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000195594331 1046124075 /nfs/dbraw/zinc/12/40/75/1046124075.db2.gz MYJBJHWZQHCNQX-LLVKDONJSA-N 1 2 306.312 4.066 20 5 DIBDLO COc1ccc2[nH+]c(C)cc(OCc3cccc([N+](=O)[O-])c3)c2c1 ZINC000195581070 1046124284 /nfs/dbraw/zinc/12/42/84/1046124284.db2.gz DRXQAJNNKFYLBB-UHFFFAOYSA-N 1 2 324.336 4.039 20 5 DIBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000088420048 1046230171 /nfs/dbraw/zinc/23/01/71/1046230171.db2.gz REWPMTPOUYZQMR-UHFFFAOYSA-N 1 2 322.714 4.023 20 5 DIBDLO COc1ccc([N+](=O)[O-])cc1CSCc1ccc(C)[nH+]c1C ZINC000774549952 1047847964 /nfs/dbraw/zinc/84/79/64/1047847964.db2.gz JXRIGWYMPYMQPW-UHFFFAOYSA-N 1 2 318.398 4.049 20 5 DIBDLO CC(C)n1c2ccccc2[nH+]c1NCCc1ccc([N+](=O)[O-])cc1 ZINC001184463118 1048044026 /nfs/dbraw/zinc/04/40/26/1048044026.db2.gz WSHAZQNXQPCXBE-UHFFFAOYSA-N 1 2 324.384 4.180 20 5 DIBDLO c1[nH]c2c(cccc2Nc2cc3cccnc3c3ncccc23)[nH+]1 ZINC001213032779 1048131397 /nfs/dbraw/zinc/13/13/97/1048131397.db2.gz XOJWJVZLYRQEHF-UHFFFAOYSA-N 1 2 311.348 4.403 20 5 DIBDLO CC[N@@H+](c1ccc(Nc2nc(C)ccc2[N+](=O)[O-])cc1)C(C)C ZINC001162084098 1048223967 /nfs/dbraw/zinc/22/39/67/1048223967.db2.gz NYOWUTYKTLHEJU-UHFFFAOYSA-N 1 2 314.389 4.277 20 5 DIBDLO CC[N@H+](c1ccc(Nc2nc(C)ccc2[N+](=O)[O-])cc1)C(C)C ZINC001162084098 1048223982 /nfs/dbraw/zinc/22/39/82/1048223982.db2.gz NYOWUTYKTLHEJU-UHFFFAOYSA-N 1 2 314.389 4.277 20 5 DIBDLO COc1cccc2c1C[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C2 ZINC000600207205 1048391762 /nfs/dbraw/zinc/39/17/62/1048391762.db2.gz KNGRVWYMKFRVFR-ZROIWOOFSA-N 1 2 324.380 4.023 20 5 DIBDLO COc1cccc2c1C[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C2 ZINC000600207205 1048391776 /nfs/dbraw/zinc/39/17/76/1048391776.db2.gz KNGRVWYMKFRVFR-ZROIWOOFSA-N 1 2 324.380 4.023 20 5 DIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000482958321 1048712158 /nfs/dbraw/zinc/71/21/58/1048712158.db2.gz HVCOUACGNIXCTN-HNNXBMFYSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000482958321 1048712169 /nfs/dbraw/zinc/71/21/69/1048712169.db2.gz HVCOUACGNIXCTN-HNNXBMFYSA-N 1 2 302.761 4.195 20 5 DIBDLO Cc1cc([NH+](C)C)ccc1N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000776766321 1049000154 /nfs/dbraw/zinc/00/01/54/1049000154.db2.gz DEPVBZSBGLBTJX-CQSZACIVSA-N 1 2 313.401 4.451 20 5 DIBDLO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000339003192 1049139362 /nfs/dbraw/zinc/13/93/62/1049139362.db2.gz YDVFRXUPJAYOIJ-HNNXBMFYSA-N 1 2 318.398 4.007 20 5 DIBDLO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000339003192 1049139368 /nfs/dbraw/zinc/13/93/68/1049139368.db2.gz YDVFRXUPJAYOIJ-HNNXBMFYSA-N 1 2 318.398 4.007 20 5 DIBDLO CC(C)C[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000339064203 1049595275 /nfs/dbraw/zinc/59/52/75/1049595275.db2.gz SVNOPURVPRGOSR-KRWDZBQOSA-N 1 2 314.385 4.177 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c(F)c1 ZINC000491167254 1049889138 /nfs/dbraw/zinc/88/91/38/1049889138.db2.gz LUPRTSITTBKELM-QGZVFWFLSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c(F)c1 ZINC000491167254 1049889144 /nfs/dbraw/zinc/88/91/44/1049889144.db2.gz LUPRTSITTBKELM-QGZVFWFLSA-N 1 2 318.323 4.210 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccco1)Cc1ccccc1 ZINC000058016614 1050144137 /nfs/dbraw/zinc/14/41/37/1050144137.db2.gz XBQXQEYZABFAPS-UHFFFAOYSA-N 1 2 322.364 4.390 20 5 DIBDLO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000058016614 1050144144 /nfs/dbraw/zinc/14/41/44/1050144144.db2.gz XBQXQEYZABFAPS-UHFFFAOYSA-N 1 2 322.364 4.390 20 5 DIBDLO Cc1[nH+]cc(Nc2ccc3nc4ccccc4cc3c2)cc1N ZINC001210289565 1050191605 /nfs/dbraw/zinc/19/16/05/1050191605.db2.gz RRJGVMQYIDCKQV-UHFFFAOYSA-N 1 2 300.365 4.417 20 5 DIBDLO O=[N+]([O-])c1cccc(Nc2ccc([NH+]3CCCCC3)cc2)c1F ZINC001210384110 1050226406 /nfs/dbraw/zinc/22/64/06/1050226406.db2.gz GOHYSKFOFAIBMD-UHFFFAOYSA-N 1 2 315.348 4.468 20 5 DIBDLO O=[N+]([O-])c1cc(C[NH2+]C2(c3ccccc3Cl)CC2)cs1 ZINC000592138137 1050274304 /nfs/dbraw/zinc/27/43/04/1050274304.db2.gz TVXJCBCYFSQMTA-UHFFFAOYSA-N 1 2 308.790 4.089 20 5 DIBDLO O=c1[nH]cc(Nc2ccc3[nH+]c4ccccc4cc3c2)cc1F ZINC001210607153 1050311464 /nfs/dbraw/zinc/31/14/64/1050311464.db2.gz MSAVLXNAOOMYHJ-UHFFFAOYSA-N 1 2 305.312 4.371 20 5 DIBDLO C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1ccc([NH+](C)C)cc1 ZINC000786821191 1050521519 /nfs/dbraw/zinc/52/15/19/1050521519.db2.gz YOTQKUQXWJZFCX-SDNWHVSQSA-N 1 2 311.385 4.176 20 5 DIBDLO Cc1noc(C[NH2+][C@@H](c2ccccc2Cl)C(C)C)c1[N+](=O)[O-] ZINC000595419519 1050633191 /nfs/dbraw/zinc/63/31/91/1050633191.db2.gz ZUNMYFNPXISXJB-CQSZACIVSA-N 1 2 323.780 4.032 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595706292 1050662947 /nfs/dbraw/zinc/66/29/47/1050662947.db2.gz YIVRWSBZAKLOHF-BLLLJJGKSA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595706292 1050662954 /nfs/dbraw/zinc/66/29/54/1050662954.db2.gz YIVRWSBZAKLOHF-BLLLJJGKSA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595706293 1050663538 /nfs/dbraw/zinc/66/35/38/1050663538.db2.gz YIVRWSBZAKLOHF-LRDDRELGSA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595706293 1050663544 /nfs/dbraw/zinc/66/35/44/1050663544.db2.gz YIVRWSBZAKLOHF-LRDDRELGSA-N 1 2 300.333 4.242 20 5 DIBDLO C[C@@H]([NH2+][C@@H](CF)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601319079 1050787696 /nfs/dbraw/zinc/78/76/96/1050787696.db2.gz WBERPZQGGYSGMS-BZNIZROVSA-N 1 2 306.312 4.095 20 5 DIBDLO Cc1ccc(Nc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC001214165382 1050836504 /nfs/dbraw/zinc/83/65/04/1050836504.db2.gz SMYAWFBLQIWMDF-UHFFFAOYSA-N 1 2 312.373 4.032 20 5 DIBDLO CCc1ccc([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000773041957 1051034100 /nfs/dbraw/zinc/03/41/00/1051034100.db2.gz UQCSEQMBHOWEDQ-SNVBAGLBSA-N 1 2 308.765 4.254 20 5 DIBDLO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000743876276 1051088889 /nfs/dbraw/zinc/08/88/89/1051088889.db2.gz YEYMZEKLBKCWOS-WBMJQRKESA-N 1 2 318.348 4.300 20 5 DIBDLO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000743876276 1051088901 /nfs/dbraw/zinc/08/89/01/1051088901.db2.gz YEYMZEKLBKCWOS-WBMJQRKESA-N 1 2 318.348 4.300 20 5 DIBDLO Cc1cc[nH+]c2cc(Nc3c(F)ccc([N+](=O)[O-])c3F)ccc12 ZINC001215297835 1051157815 /nfs/dbraw/zinc/15/78/15/1051157815.db2.gz RGEHCPJWJPJHHW-UHFFFAOYSA-N 1 2 315.279 4.473 20 5 DIBDLO CSc1ccccc1C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001169898312 1051725511 /nfs/dbraw/zinc/72/55/11/1051725511.db2.gz APKFRUFVRXZOOL-UHFFFAOYSA-N 1 2 320.389 4.088 20 5 DIBDLO CSc1ccccc1C[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC001169898312 1051725523 /nfs/dbraw/zinc/72/55/23/1051725523.db2.gz APKFRUFVRXZOOL-UHFFFAOYSA-N 1 2 320.389 4.088 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)ccc1Cl ZINC000768555901 1051942975 /nfs/dbraw/zinc/94/29/75/1051942975.db2.gz TYNSEKZGGVKOKA-OAHLLOKOSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]2c2ccccc2)ccc1Cl ZINC000768555901 1051942984 /nfs/dbraw/zinc/94/29/84/1051942984.db2.gz TYNSEKZGGVKOKA-OAHLLOKOSA-N 1 2 302.761 4.195 20 5 DIBDLO O=[N+]([O-])c1ccc(Nc2ccc([NH2+]C3CCCCC3)cc2)cn1 ZINC000609797171 1052992205 /nfs/dbraw/zinc/99/22/05/1052992205.db2.gz IHVGBJHMTAILQA-UHFFFAOYSA-N 1 2 312.373 4.478 20 5 DIBDLO CC(C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000180873900 1053100601 /nfs/dbraw/zinc/10/06/01/1053100601.db2.gz RZUITVFIAGPLIL-UHFFFAOYSA-N 1 2 324.302 4.037 20 5 DIBDLO COc1ccc(CNc2cc(C)c3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC001319137111 1053221296 /nfs/dbraw/zinc/22/12/96/1053221296.db2.gz YGAULIQZUSSCDJ-UHFFFAOYSA-N 1 2 323.352 4.072 20 5 DIBDLO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000183493093 1053665645 /nfs/dbraw/zinc/66/56/45/1053665645.db2.gz WDWWHGVQSONUGQ-YGRLFVJLSA-N 1 2 320.776 4.254 20 5 DIBDLO C[C@@H](Oc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC001231082003 1053671451 /nfs/dbraw/zinc/67/14/51/1053671451.db2.gz QHBYCHIVOXNPKT-GFCCVEGCSA-N 1 2 309.325 4.125 20 5 DIBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2Nc1ccc([NH+]2CCCC2)cc1 ZINC000848537387 1054132834 /nfs/dbraw/zinc/13/28/34/1054132834.db2.gz GVSKGKDQOMUFNE-GOSISDBHSA-N 1 2 323.396 4.294 20 5 DIBDLO Cc1ccc([C@@H](C)[NH2+]Cc2csc(C(C)C)n2)cc1[N+](=O)[O-] ZINC001620818186 1056078665 /nfs/dbraw/zinc/07/86/65/1056078665.db2.gz PDTIHIFPVOFNJP-GFCCVEGCSA-N 1 2 319.430 4.334 20 5 DIBDLO CC(C)Cc1ccc(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001615728835 1056570686 /nfs/dbraw/zinc/57/06/86/1056570686.db2.gz SJOZNBAMWLGVPY-UHFFFAOYSA-N 1 2 310.397 4.309 20 5 DIBDLO CC(C)Cc1ccc(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001615728835 1056570700 /nfs/dbraw/zinc/57/07/00/1056570700.db2.gz SJOZNBAMWLGVPY-UHFFFAOYSA-N 1 2 310.397 4.309 20 5 DIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001616972682 1056749362 /nfs/dbraw/zinc/74/93/62/1056749362.db2.gz DWJAYPFKXPXOTJ-KRWDZBQOSA-N 1 2 312.369 4.028 20 5 DIBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001616972682 1056749369 /nfs/dbraw/zinc/74/93/69/1056749369.db2.gz DWJAYPFKXPXOTJ-KRWDZBQOSA-N 1 2 312.369 4.028 20 5 DIBDLO CC1=C(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001617597117 1056855214 /nfs/dbraw/zinc/85/52/14/1056855214.db2.gz BSTYHVYGXHQETE-UHFFFAOYSA-N 1 2 315.200 4.444 20 5 DIBDLO CC1=C(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC001617597117 1056855221 /nfs/dbraw/zinc/85/52/21/1056855221.db2.gz BSTYHVYGXHQETE-UHFFFAOYSA-N 1 2 315.200 4.444 20 5 DIBDLO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001559594802 1059427662 /nfs/dbraw/zinc/42/76/62/1059427662.db2.gz UMDFZDMRNQTYKR-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001559594802 1059427672 /nfs/dbraw/zinc/42/76/72/1059427672.db2.gz UMDFZDMRNQTYKR-GFCCVEGCSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001559594803 1059428676 /nfs/dbraw/zinc/42/86/76/1059428676.db2.gz UMDFZDMRNQTYKR-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001559594803 1059428682 /nfs/dbraw/zinc/42/86/82/1059428682.db2.gz UMDFZDMRNQTYKR-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCc2cccc(Cl)c2C1 ZINC001473537938 1061228672 /nfs/dbraw/zinc/22/86/72/1061228672.db2.gz AKLCKIZWNICJRV-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCc2cccc(Cl)c2C1 ZINC001473537938 1061228695 /nfs/dbraw/zinc/22/86/95/1061228695.db2.gz AKLCKIZWNICJRV-LBPRGKRZSA-N 1 2 316.788 4.368 20 5 DIBDLO C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC001473940019 1061484731 /nfs/dbraw/zinc/48/47/31/1061484731.db2.gz KVVNNOGKNPKVME-ZDUSSCGKSA-N 1 2 323.352 4.101 20 5 DIBDLO CCc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC001459750329 1062361722 /nfs/dbraw/zinc/36/17/22/1062361722.db2.gz QQUKFKBLDLXCGU-UHFFFAOYSA-N 1 2 318.804 4.443 20 5 DIBDLO CCc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC001459750329 1062361746 /nfs/dbraw/zinc/36/17/46/1062361746.db2.gz QQUKFKBLDLXCGU-UHFFFAOYSA-N 1 2 318.804 4.443 20 5 DIBDLO Cc1cc(N[C@H](C)c2cccc([N+](=O)[O-])c2)nc(C2CCC2)[nH+]1 ZINC001306936482 1065211771 /nfs/dbraw/zinc/21/17/71/1065211771.db2.gz QJNDASKYIWJKFU-GFCCVEGCSA-N 1 2 312.373 4.134 20 5 DIBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC001307420653 1065381837 /nfs/dbraw/zinc/38/18/37/1065381837.db2.gz JNKOELLCWCYFMJ-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC001307420653 1065381850 /nfs/dbraw/zinc/38/18/50/1065381850.db2.gz JNKOELLCWCYFMJ-UHFFFAOYSA-N 1 2 318.323 4.038 20 5 DIBDLO Cc1cc(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c[nH+]c1C ZINC001308503622 1066032306 /nfs/dbraw/zinc/03/23/06/1066032306.db2.gz PLYWZMYJGKAZCG-UHFFFAOYSA-N 1 2 323.352 4.479 20 5 DIBDLO