smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)C(=[NH2+])Nc1ccc([N+](=O)[O-])cn1 ZINC001162656200 965092820 /nfs/dbraw/zinc/09/28/20/965092820.db2.gz RJTUYAVJKHXAAM-UHFFFAOYSA-N 1 2 222.248 2.425 20 5 BEBDLO CC(C)[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001227519710 975503130 /nfs/dbraw/zinc/50/31/30/975503130.db2.gz CPEATNVBUSQWRR-UHFFFAOYSA-N 1 2 236.271 2.066 20 5 BEBDLO COc1cc[nH+]cc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203566029 979817940 /nfs/dbraw/zinc/81/79/40/979817940.db2.gz BBUNNPXJVSLZGU-UHFFFAOYSA-N 1 2 246.226 2.137 20 5 BEBDLO Cc1nn(Cc2ccc(C)[nH+]c2C)cc1[N+](=O)[O-] ZINC000185410465 398303308 /nfs/dbraw/zinc/30/33/08/398303308.db2.gz FOSLZHXDMRFYRJ-UHFFFAOYSA-N 1 2 246.270 2.160 20 5 BEBDLO O=[N+]([O-])c1cc(Cl)ccc1Cn1cc[nH+]c1 ZINC000048546950 343583678 /nfs/dbraw/zinc/58/36/78/343583678.db2.gz XXSQKAZIPAUNHX-UHFFFAOYSA-N 1 2 237.646 2.493 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000611271846 344442429 /nfs/dbraw/zinc/44/24/29/344442429.db2.gz FCGOPTJDNSGQLN-JOYOIKCWSA-N 1 2 248.282 2.285 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000611271846 344442430 /nfs/dbraw/zinc/44/24/30/344442430.db2.gz FCGOPTJDNSGQLN-JOYOIKCWSA-N 1 2 248.282 2.285 20 5 BEBDLO O=[N+]([O-])c1cc(C[NH+]2CC(C3CC3)C2)cs1 ZINC000589736700 346734329 /nfs/dbraw/zinc/73/43/29/346734329.db2.gz BZLBSQAWHQMPSR-UHFFFAOYSA-N 1 2 238.312 2.498 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595807795 348349063 /nfs/dbraw/zinc/34/90/63/348349063.db2.gz AORAGGZSLBGASI-UWVGGRQHSA-N 1 2 248.282 2.142 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595807795 348349065 /nfs/dbraw/zinc/34/90/65/348349065.db2.gz AORAGGZSLBGASI-UWVGGRQHSA-N 1 2 248.282 2.142 20 5 BEBDLO Cc1nn(Cc2cc[nH+]c(C)c2)c(C)c1[N+](=O)[O-] ZINC000598707648 349023643 /nfs/dbraw/zinc/02/36/43/349023643.db2.gz YOSUIDHKIFITKV-UHFFFAOYSA-N 1 2 246.270 2.160 20 5 BEBDLO Cc1cc(N[C@H](C)c2[nH]cc[nH+]2)ncc1[N+](=O)[O-] ZINC000159413840 350123688 /nfs/dbraw/zinc/12/36/88/350123688.db2.gz FBTSMGCRHLDGFY-MRVPVSSYSA-N 1 2 247.258 2.194 20 5 BEBDLO COCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413023764 191343969 /nfs/dbraw/zinc/34/39/69/191343969.db2.gz KJKLXDYANWFAMJ-UHFFFAOYSA-N 1 2 247.254 2.201 20 5 BEBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1nccs1 ZINC000048659934 358646876 /nfs/dbraw/zinc/64/68/76/358646876.db2.gz VVJWQGCPFAXYCD-UHFFFAOYSA-N 1 2 249.295 2.341 20 5 BEBDLO Cc1nn(Cc2c[nH+]ccc2C)c(C)c1[N+](=O)[O-] ZINC000433393194 201183656 /nfs/dbraw/zinc/18/36/56/201183656.db2.gz BTKJLZMNQZBKAJ-UHFFFAOYSA-N 1 2 246.270 2.160 20 5 BEBDLO Cc1ccnc(N[C@H](C)c2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000139849252 372206187 /nfs/dbraw/zinc/20/61/87/372206187.db2.gz UVBHKESYEINANO-MRVPVSSYSA-N 1 2 247.258 2.194 20 5 BEBDLO CC[NH+](CC)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338898538 383850903 /nfs/dbraw/zinc/85/09/03/383850903.db2.gz VHGIAPBWXCNYFR-UHFFFAOYSA-N 1 2 224.260 2.142 20 5 BEBDLO Cc1cc([N+](=O)[O-])ccc1CNc1c[nH]c[nH+]1 ZINC000589514325 385322056 /nfs/dbraw/zinc/32/20/56/385322056.db2.gz WKMLBFXGHCXEDS-UHFFFAOYSA-N 1 2 232.243 2.238 20 5 BEBDLO C[C@H]([NH2+]Cc1cocn1)c1ccccc1[N+](=O)[O-] ZINC000346861600 387480358 /nfs/dbraw/zinc/48/03/58/387480358.db2.gz APBSJTINIXTQSS-VIFPVBQESA-N 1 2 247.254 2.434 20 5 BEBDLO C[C@@H]([NH2+]Cc1cocn1)c1ccccc1[N+](=O)[O-] ZINC000346861597 387480419 /nfs/dbraw/zinc/48/04/19/387480419.db2.gz APBSJTINIXTQSS-SECBINFHSA-N 1 2 247.254 2.434 20 5 BEBDLO C[C@H]([NH2+]Cc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000080581430 388711237 /nfs/dbraw/zinc/71/12/37/388711237.db2.gz AHPWWZZZYLPCFV-VIFPVBQESA-N 1 2 246.270 2.169 20 5 BEBDLO CC[C@H]1CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000332045960 388782838 /nfs/dbraw/zinc/78/28/38/388782838.db2.gz YXMRBNPRFKYLEV-JTQLQIEISA-N 1 2 236.271 2.285 20 5 BEBDLO CC[C@H]1CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000332045960 388782842 /nfs/dbraw/zinc/78/28/42/388782842.db2.gz YXMRBNPRFKYLEV-JTQLQIEISA-N 1 2 236.271 2.285 20 5 BEBDLO C[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330446618 177111071 /nfs/dbraw/zinc/11/10/71/177111071.db2.gz DYNJMESOIBECMN-VIFPVBQESA-N 1 2 236.271 2.285 20 5 BEBDLO C[C@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330446618 177111072 /nfs/dbraw/zinc/11/10/72/177111072.db2.gz DYNJMESOIBECMN-VIFPVBQESA-N 1 2 236.271 2.285 20 5 BEBDLO Cc1ncc([N+](=O)[O-])n1Cc1cc(C)cc(C)[nH+]1 ZINC000901477788 584448970 /nfs/dbraw/zinc/44/89/70/584448970.db2.gz RIZOKEYXIZNQRT-UHFFFAOYSA-N 1 2 246.270 2.160 20 5 BEBDLO Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cn2)c[nH+]1 ZINC000821037977 587090181 /nfs/dbraw/zinc/09/01/81/587090181.db2.gz FTCSGDSSQVXQIA-HNQUOIGGSA-N 1 2 242.238 2.137 20 5 BEBDLO O=[N+]([O-])c1cc2c(nc1-n1cc[nH+]c1)CCCC2 ZINC000825525448 587323385 /nfs/dbraw/zinc/32/33/85/587323385.db2.gz DKCWULNCEAYHFX-UHFFFAOYSA-N 1 2 244.254 2.054 20 5 BEBDLO C[N@H+](CC[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000929134593 645963089 /nfs/dbraw/zinc/96/30/89/645963089.db2.gz ZMBCSKPCKRRDNN-UHFFFAOYSA-N 1 2 234.708 2.110 20 5 BEBDLO C[N@@H+](CC[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000929134593 645963090 /nfs/dbraw/zinc/96/30/90/645963090.db2.gz ZMBCSKPCKRRDNN-UHFFFAOYSA-N 1 2 234.708 2.110 20 5 BEBDLO C[N@H+](CC[N+](=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC000930133173 646454546 /nfs/dbraw/zinc/45/45/46/646454546.db2.gz FRDHZAYNVJEDHP-UHFFFAOYSA-N 1 2 246.669 2.188 20 5 BEBDLO C[N@@H+](CC[N+](=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC000930133173 646454550 /nfs/dbraw/zinc/45/45/50/646454550.db2.gz FRDHZAYNVJEDHP-UHFFFAOYSA-N 1 2 246.669 2.188 20 5 BEBDLO [NH2+]=CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001167869171 961364624 /nfs/dbraw/zinc/36/46/24/961364624.db2.gz TUGWDLNRYQIEGX-UHFFFAOYSA-N 1 2 216.200 2.162 20 5 BEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCF)C2 ZINC001319394803 991857390 /nfs/dbraw/zinc/85/73/90/991857390.db2.gz PDEAXHAPKLBFNM-UHFFFAOYSA-N 1 2 224.235 2.270 20 5 BEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCF)C2 ZINC001319394803 991857395 /nfs/dbraw/zinc/85/73/95/991857395.db2.gz PDEAXHAPKLBFNM-UHFFFAOYSA-N 1 2 224.235 2.270 20 5 BEBDLO Cc1cc(NCc2[nH+]ccn2C)ccc1[N+](=O)[O-] ZINC000051924226 178177440 /nfs/dbraw/zinc/17/74/40/178177440.db2.gz BFARJMZKJPCFKO-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO Cc1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000034548823 178347356 /nfs/dbraw/zinc/34/73/56/178347356.db2.gz DVJFCBMEBFBNKF-UHFFFAOYSA-N 1 2 203.201 2.089 20 5 BEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccccc1[N+](=O)[O-] ZINC000049235890 343594345 /nfs/dbraw/zinc/59/43/45/343594345.db2.gz CQHCLIHVZJVVAE-SNVBAGLBSA-N 1 2 246.270 2.292 20 5 BEBDLO Cc1cnc(C[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000235957154 346174931 /nfs/dbraw/zinc/17/49/31/346174931.db2.gz UMCVAHYITVKJFL-UHFFFAOYSA-N 1 2 247.254 2.181 20 5 BEBDLO Cc1cccc(N(C)Cc2[nH]cc[nH+]2)c1[N+](=O)[O-] ZINC000338670419 179117727 /nfs/dbraw/zinc/11/77/27/179117727.db2.gz GPVICDPQMIOCBW-UHFFFAOYSA-N 1 2 246.270 2.263 20 5 BEBDLO CC12CC(C1)C[N@@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595919590 348401171 /nfs/dbraw/zinc/40/11/71/348401171.db2.gz KIUDYWSBWSCOFB-UHFFFAOYSA-N 1 2 248.282 2.285 20 5 BEBDLO CC12CC(C1)C[N@H+]2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000595919590 348401174 /nfs/dbraw/zinc/40/11/74/348401174.db2.gz KIUDYWSBWSCOFB-UHFFFAOYSA-N 1 2 248.282 2.285 20 5 BEBDLO O=[N+]([O-])c1ccccc1C[NH+]1CC(C(F)F)C1 ZINC000610892642 358228255 /nfs/dbraw/zinc/22/82/55/358228255.db2.gz HLQUDPFVFJBPBT-UHFFFAOYSA-N 1 2 242.225 2.292 20 5 BEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000049236014 358676697 /nfs/dbraw/zinc/67/66/97/358676697.db2.gz VANVQIJWRPNSQH-JTQLQIEISA-N 1 2 246.270 2.292 20 5 BEBDLO CC1(C)C[NH+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000602752248 371839166 /nfs/dbraw/zinc/83/91/66/371839166.db2.gz PAJBWKURWPLZSX-UHFFFAOYSA-N 1 2 226.301 2.498 20 5 BEBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2nccs2)cc1 ZINC000041654385 374169369 /nfs/dbraw/zinc/16/93/69/374169369.db2.gz XSDMZWSLKGEORH-UHFFFAOYSA-N 1 2 249.295 2.341 20 5 BEBDLO O=[N+]([O-])c1cccc(COCc2[nH]cc[nH+]2)c1 ZINC000123775697 182945237 /nfs/dbraw/zinc/94/52/37/182945237.db2.gz HVAHYGQBMBOXKX-UHFFFAOYSA-N 1 2 233.227 2.035 20 5 BEBDLO O=[N+]([O-])c1cccc(Cl)c1Cn1cc[nH+]c1 ZINC000108657937 384729120 /nfs/dbraw/zinc/72/91/20/384729120.db2.gz IIQCVRCUARABPL-UHFFFAOYSA-N 1 2 237.646 2.493 20 5 BEBDLO C[C@@H]([NH2+]Cc1cocn1)c1cccc([N+](=O)[O-])c1 ZINC000237367548 386482748 /nfs/dbraw/zinc/48/27/48/386482748.db2.gz OVKCZGXXVVOAFS-SECBINFHSA-N 1 2 247.254 2.434 20 5 BEBDLO C[C@@H]([NH2+]Cc1ccno1)c1ccccc1[N+](=O)[O-] ZINC000224009445 387545436 /nfs/dbraw/zinc/54/54/36/387545436.db2.gz UQWTVSICUWRBOL-SECBINFHSA-N 1 2 247.254 2.434 20 5 BEBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000139077075 387889757 /nfs/dbraw/zinc/88/97/57/387889757.db2.gz GIZCKUPEQSZXSB-VIFPVBQESA-N 1 2 246.270 2.169 20 5 BEBDLO CCc1cn(Cc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC001652207908 1173044587 /nfs/dbraw/zinc/04/45/87/1173044587.db2.gz IYSUAVBDDZXAEB-UHFFFAOYSA-N 1 2 231.255 2.402 20 5 BEBDLO CCCc1[nH+]c2ccccc2n1CC[N+](=O)[O-] ZINC000899859070 584242902 /nfs/dbraw/zinc/24/29/02/584242902.db2.gz GFSFGBGVMVDRRH-UHFFFAOYSA-N 1 2 233.271 2.266 20 5 BEBDLO C[N@H+](Cc1ccoc1)Cc1cccnc1[N+](=O)[O-] ZINC000885962595 592116089 /nfs/dbraw/zinc/11/60/89/592116089.db2.gz CNGSGUAKSSXJRU-UHFFFAOYSA-N 1 2 247.254 2.215 20 5 BEBDLO C[N@@H+](Cc1ccoc1)Cc1cccnc1[N+](=O)[O-] ZINC000885962595 592116092 /nfs/dbraw/zinc/11/60/92/592116092.db2.gz CNGSGUAKSSXJRU-UHFFFAOYSA-N 1 2 247.254 2.215 20 5 BEBDLO Cn1c[nH+]cc1CNc1ccsc1[N+](=O)[O-] ZINC000309609023 632582724 /nfs/dbraw/zinc/58/27/24/632582724.db2.gz YTMUOZBBNASHKA-UHFFFAOYSA-N 1 2 238.272 2.002 20 5 BEBDLO C[C@H]1c2ccc(F)cc2CC[N@H+]1CC[N+](=O)[O-] ZINC000929689977 641399130 /nfs/dbraw/zinc/39/91/30/641399130.db2.gz JZXBARPDBVHJAD-VIFPVBQESA-N 1 2 238.262 2.022 20 5 BEBDLO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC[N+](=O)[O-] ZINC000929689977 641399134 /nfs/dbraw/zinc/39/91/34/641399134.db2.gz JZXBARPDBVHJAD-VIFPVBQESA-N 1 2 238.262 2.022 20 5 BEBDLO C[C@H]1c2c(F)cccc2CC[N@H+]1CC[N+](=O)[O-] ZINC000929689248 646246711 /nfs/dbraw/zinc/24/67/11/646246711.db2.gz SUROQXVPYHNZMP-VIFPVBQESA-N 1 2 238.262 2.022 20 5 BEBDLO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC[N+](=O)[O-] ZINC000929689248 646246715 /nfs/dbraw/zinc/24/67/15/646246715.db2.gz SUROQXVPYHNZMP-VIFPVBQESA-N 1 2 238.262 2.022 20 5 BEBDLO CC(C)[NH+]1CC(Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763571 975064088 /nfs/dbraw/zinc/06/40/88/975064088.db2.gz WPHHHSJGNMEUAZ-UHFFFAOYSA-N 1 2 236.271 2.066 20 5 BEBDLO CSCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319545176 991890984 /nfs/dbraw/zinc/89/09/84/991890984.db2.gz SLSOIADGCADKMC-UHFFFAOYSA-N 1 2 238.312 2.273 20 5 BEBDLO CSCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319545176 991890989 /nfs/dbraw/zinc/89/09/89/991890989.db2.gz SLSOIADGCADKMC-UHFFFAOYSA-N 1 2 238.312 2.273 20 5 BEBDLO O=[N+]([O-])c1ccccc1COCc1[nH]cc[nH+]1 ZINC000123860681 398312725 /nfs/dbraw/zinc/31/27/25/398312725.db2.gz YQMDDULIOKUJMO-UHFFFAOYSA-N 1 2 233.227 2.035 20 5 BEBDLO Cc1cccc(NCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000291116813 349863194 /nfs/dbraw/zinc/86/31/94/349863194.db2.gz LXUCEJZPEIHYEB-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO O=[N+]([O-])c1ccc(C[NH+]2CC(C(F)F)C2)cc1 ZINC000610892638 344161806 /nfs/dbraw/zinc/16/18/06/344161806.db2.gz GYHPPRGIGFVVOZ-UHFFFAOYSA-N 1 2 242.225 2.292 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000611271845 344439801 /nfs/dbraw/zinc/43/98/01/344439801.db2.gz FCGOPTJDNSGQLN-CABZTGNLSA-N 1 2 248.282 2.285 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@@H]2CCC[C@@H]21 ZINC000611271845 344439802 /nfs/dbraw/zinc/43/98/02/344439802.db2.gz FCGOPTJDNSGQLN-CABZTGNLSA-N 1 2 248.282 2.285 20 5 BEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC=CCC2)c(F)c1 ZINC000611517404 344749026 /nfs/dbraw/zinc/74/90/26/344749026.db2.gz YOQNKXQTXALHTC-UHFFFAOYSA-N 1 2 236.246 2.496 20 5 BEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC=CCC2)c(F)c1 ZINC000611517404 344749028 /nfs/dbraw/zinc/74/90/28/344749028.db2.gz YOQNKXQTXALHTC-UHFFFAOYSA-N 1 2 236.246 2.496 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC=CCC1 ZINC000611521218 344749367 /nfs/dbraw/zinc/74/93/67/344749367.db2.gz WIKWPWQDBQTJLS-UHFFFAOYSA-N 1 2 234.255 2.062 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC=CCC1 ZINC000611521218 344749370 /nfs/dbraw/zinc/74/93/70/344749370.db2.gz WIKWPWQDBQTJLS-UHFFFAOYSA-N 1 2 234.255 2.062 20 5 BEBDLO Cc1cccc([N+](=O)[O-])c1N(C)Cc1[nH]cc[nH+]1 ZINC000357554163 179205980 /nfs/dbraw/zinc/20/59/80/179205980.db2.gz VDRJPUOLHMNSAQ-UHFFFAOYSA-N 1 2 246.270 2.263 20 5 BEBDLO Cc1noc(C[N@@H+]2CCC=C(C)C2)c1[N+](=O)[O-] ZINC000595474433 348251614 /nfs/dbraw/zinc/25/16/14/348251614.db2.gz LRJFSGDDYGNGLR-UHFFFAOYSA-N 1 2 237.259 2.043 20 5 BEBDLO Cc1noc(C[N@H+]2CCC=C(C)C2)c1[N+](=O)[O-] ZINC000595474433 348251615 /nfs/dbraw/zinc/25/16/15/348251615.db2.gz LRJFSGDDYGNGLR-UHFFFAOYSA-N 1 2 237.259 2.043 20 5 BEBDLO Cc1c[nH+]ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000107294621 179711963 /nfs/dbraw/zinc/71/19/63/179711963.db2.gz HLZYALKXGCJHAS-UHFFFAOYSA-N 1 2 247.210 2.144 20 5 BEBDLO COc1ccc(C[N@H+](C)CCF)cc1[N+](=O)[O-] ZINC000268289262 188023615 /nfs/dbraw/zinc/02/36/15/188023615.db2.gz INXGBDUXKYYQIW-UHFFFAOYSA-N 1 2 242.250 2.005 20 5 BEBDLO COc1ccc(C[N@@H+](C)CCF)cc1[N+](=O)[O-] ZINC000268289262 188023616 /nfs/dbraw/zinc/02/36/16/188023616.db2.gz INXGBDUXKYYQIW-UHFFFAOYSA-N 1 2 242.250 2.005 20 5 BEBDLO O=[N+]([O-])c1ccccc1C=CCNc1c[nH]c[nH+]1 ZINC000573651676 364883192 /nfs/dbraw/zinc/88/31/92/364883192.db2.gz OKLVSXXUESKKGI-HYXAFXHYSA-N 1 2 244.254 2.443 20 5 BEBDLO CC[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000139766848 367997315 /nfs/dbraw/zinc/99/73/15/367997315.db2.gz VUACLJISVMMXPL-SECBINFHSA-N 1 2 247.258 2.276 20 5 BEBDLO O=[N+]([O-])c1cccc(C[NH2+]Cc2nccs2)c1 ZINC000040444002 373265477 /nfs/dbraw/zinc/26/54/77/373265477.db2.gz VAICAQPVDBRSAH-UHFFFAOYSA-N 1 2 249.295 2.341 20 5 BEBDLO CCC[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338940622 169081695 /nfs/dbraw/zinc/08/16/95/169081695.db2.gz CRUTVCMSNCIWQJ-UHFFFAOYSA-N 1 2 224.260 2.142 20 5 BEBDLO CCC[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338940622 169081698 /nfs/dbraw/zinc/08/16/98/169081698.db2.gz CRUTVCMSNCIWQJ-UHFFFAOYSA-N 1 2 224.260 2.142 20 5 BEBDLO C[C@H]([NH2+]Cc1ccon1)c1cccc([N+](=O)[O-])c1 ZINC000129038415 385708186 /nfs/dbraw/zinc/70/81/86/385708186.db2.gz UMSUGHGPIVIEDS-VIFPVBQESA-N 1 2 247.254 2.434 20 5 BEBDLO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC(F)F ZINC000291516288 385885339 /nfs/dbraw/zinc/88/53/39/385885339.db2.gz YIEUBWASTNKBCT-HWKANZROSA-N 1 2 242.225 2.463 20 5 BEBDLO Cc1ccc([N+](=O)[O-])cc1NCc1c[nH+]cn1C ZINC000090165893 388393596 /nfs/dbraw/zinc/39/35/96/388393596.db2.gz RINMOSSACXTCQR-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO Cc1c(Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000070164319 388729010 /nfs/dbraw/zinc/72/90/10/388729010.db2.gz TZOXQAKMHFLBSJ-UHFFFAOYSA-N 1 2 217.228 2.148 20 5 BEBDLO C[N@H+](Cc1ccon1)Cc1ccc([N+](=O)[O-])cc1 ZINC000353867219 398003396 /nfs/dbraw/zinc/00/33/96/398003396.db2.gz JHQRTGPAOGHFQS-UHFFFAOYSA-N 1 2 247.254 2.215 20 5 BEBDLO C[N@@H+](Cc1ccon1)Cc1ccc([N+](=O)[O-])cc1 ZINC000353867219 398003400 /nfs/dbraw/zinc/00/34/00/398003400.db2.gz JHQRTGPAOGHFQS-UHFFFAOYSA-N 1 2 247.254 2.215 20 5 BEBDLO C[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000339578977 177260213 /nfs/dbraw/zinc/26/02/13/177260213.db2.gz UXCBAOWSYDJMOY-IUCAKERBSA-N 1 2 236.271 2.141 20 5 BEBDLO C[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000339578977 177260214 /nfs/dbraw/zinc/26/02/14/177260214.db2.gz UXCBAOWSYDJMOY-IUCAKERBSA-N 1 2 236.271 2.141 20 5 BEBDLO Cc1cc([N+](=O)[O-])ccc1N(C)Cc1[nH]cc[nH+]1 ZINC000757924886 585347087 /nfs/dbraw/zinc/34/70/87/585347087.db2.gz PGEAOGPLOZDVSV-UHFFFAOYSA-N 1 2 246.270 2.263 20 5 BEBDLO C[C@@H]([NH2+]CC[N+](=O)[O-])c1c(F)cccc1Cl ZINC000309363744 632022342 /nfs/dbraw/zinc/02/23/42/632022342.db2.gz AWFSZCQXVXTJAF-SSDOTTSWSA-N 1 2 246.669 2.406 20 5 BEBDLO C[C@@H](c1ccccc1F)[N@H+](C)CC[N+](=O)[O-] ZINC000791054618 712422280 /nfs/dbraw/zinc/42/22/80/712422280.db2.gz WHJBAIVTCGALHG-VIFPVBQESA-N 1 2 226.251 2.095 20 5 BEBDLO C[C@@H](c1ccccc1F)[N@@H+](C)CC[N+](=O)[O-] ZINC000791054618 712422282 /nfs/dbraw/zinc/42/22/82/712422282.db2.gz WHJBAIVTCGALHG-VIFPVBQESA-N 1 2 226.251 2.095 20 5 BEBDLO [NH2+]=CNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001167864529 961334117 /nfs/dbraw/zinc/33/41/17/961334117.db2.gz OCUXZEHDWWJWSA-UHFFFAOYSA-N 1 2 234.190 2.301 20 5 BEBDLO CC(C)(C)C(=[NH2+])Nc1cc([N+](=O)[O-])ccn1 ZINC001155176213 962999262 /nfs/dbraw/zinc/99/92/62/962999262.db2.gz UXIJFGUBLLZNEN-UHFFFAOYSA-N 1 2 222.248 2.425 20 5 BEBDLO Cc1[nH+]cn(C)c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210395862 969884433 /nfs/dbraw/zinc/88/44/33/969884433.db2.gz GEXUSROLDXYVQT-UHFFFAOYSA-N 1 2 248.242 2.086 20 5 BEBDLO Cc1cc([N+](=O)[O-])ccc1NCc1c[nH+]cn1C ZINC000090165927 178273154 /nfs/dbraw/zinc/27/31/54/178273154.db2.gz BAWRJFTZTJETIV-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO Cc1cc([N+](=O)[O-])ccc1OCc1c[nH+]cn1C ZINC000270168675 178273273 /nfs/dbraw/zinc/27/32/73/178273273.db2.gz ZQBPDIUYMKKBTK-UHFFFAOYSA-N 1 2 247.254 2.216 20 5 BEBDLO Cc1cccc([N+](=O)[O-])c1NCc1[nH+]ccn1C ZINC000158670599 179206553 /nfs/dbraw/zinc/20/65/53/179206553.db2.gz AHEHUZAAKASIKW-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO Cc1cccc([N+](=O)[O-])c1NCc1c[nH+]cn1C ZINC000357596235 179206996 /nfs/dbraw/zinc/20/69/96/179206996.db2.gz ODALSFWVKIKYIL-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO CC[C@H](Nc1ncccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000139771976 367994104 /nfs/dbraw/zinc/99/41/04/367994104.db2.gz ZFXSSKGOFVRZDY-QMMMGPOBSA-N 1 2 247.258 2.276 20 5 BEBDLO CC1C[NH+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000334820284 383960438 /nfs/dbraw/zinc/96/04/38/383960438.db2.gz WRYXCRABQOLMJM-UHFFFAOYSA-N 1 2 212.274 2.108 20 5 BEBDLO Cc1c(C[N@@H+]2CC[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000336259769 384189605 /nfs/dbraw/zinc/18/96/05/384189605.db2.gz SJNHYESWKPQFLW-LLVKDONJSA-N 1 2 238.262 2.447 20 5 BEBDLO Cc1c(C[N@H+]2CC[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000336259769 384189608 /nfs/dbraw/zinc/18/96/08/384189608.db2.gz SJNHYESWKPQFLW-LLVKDONJSA-N 1 2 238.262 2.447 20 5 BEBDLO Cc1c(NCc2[nH+]ccn2C)cccc1[N+](=O)[O-] ZINC000051922502 385840737 /nfs/dbraw/zinc/84/07/37/385840737.db2.gz OGQQZBLUTLZWIN-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO Cc1ccc([N+](=O)[O-])cc1NCc1[nH+]ccn1C ZINC000051922478 385841492 /nfs/dbraw/zinc/84/14/92/385841492.db2.gz OPOQANTYBKGDIA-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO C[C@@H]([NH2+]Cc1ccon1)c1ccccc1[N+](=O)[O-] ZINC000093326686 387247712 /nfs/dbraw/zinc/24/77/12/387247712.db2.gz XPWOGNVGONTQMK-SECBINFHSA-N 1 2 247.254 2.434 20 5 BEBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000139077193 387890144 /nfs/dbraw/zinc/89/01/44/387890144.db2.gz GIZCKUPEQSZXSB-SECBINFHSA-N 1 2 246.270 2.169 20 5 BEBDLO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000041014864 388430576 /nfs/dbraw/zinc/43/05/76/388430576.db2.gz LHPWASGXTVWEOB-VIFPVBQESA-N 1 2 246.270 2.169 20 5 BEBDLO Cc1ccc([N+](=O)[O-])c(NCCn2cc[nH+]c2)c1 ZINC000094659486 388640182 /nfs/dbraw/zinc/64/01/82/388640182.db2.gz TVADXRYPAHBIND-UHFFFAOYSA-N 1 2 246.270 2.212 20 5 BEBDLO C[C@@H]([NH2+]Cc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000080581435 388711038 /nfs/dbraw/zinc/71/10/38/388711038.db2.gz AHPWWZZZYLPCFV-SECBINFHSA-N 1 2 246.270 2.169 20 5 BEBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C ZINC000339578982 176301536 /nfs/dbraw/zinc/30/15/36/176301536.db2.gz UXCBAOWSYDJMOY-RKDXNWHRSA-N 1 2 236.271 2.141 20 5 BEBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1C ZINC000339578982 176301537 /nfs/dbraw/zinc/30/15/37/176301537.db2.gz UXCBAOWSYDJMOY-RKDXNWHRSA-N 1 2 236.271 2.141 20 5 BEBDLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339578973 177260253 /nfs/dbraw/zinc/26/02/53/177260253.db2.gz UXCBAOWSYDJMOY-DTWKUNHWSA-N 1 2 236.271 2.141 20 5 BEBDLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339578973 177260254 /nfs/dbraw/zinc/26/02/54/177260254.db2.gz UXCBAOWSYDJMOY-DTWKUNHWSA-N 1 2 236.271 2.141 20 5 BEBDLO Cc1c[nH+]c(CCn2nccc2[N+](=O)[O-])c(C)c1 ZINC000570681673 323066927 /nfs/dbraw/zinc/06/69/27/323066927.db2.gz AGKGLFCAOAORBA-UHFFFAOYSA-N 1 2 246.270 2.046 20 5 BEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC=CCC1 ZINC000778969505 585743109 /nfs/dbraw/zinc/74/31/09/585743109.db2.gz NTXZZUWDALJGQO-UHFFFAOYSA-N 1 2 236.246 2.496 20 5 BEBDLO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC=CCC1 ZINC000778969505 585743110 /nfs/dbraw/zinc/74/31/10/585743110.db2.gz NTXZZUWDALJGQO-UHFFFAOYSA-N 1 2 236.246 2.496 20 5 BEBDLO Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2[nH]cc[nH+]2)n1 ZINC000139917092 592438869 /nfs/dbraw/zinc/43/88/69/592438869.db2.gz LSGBHEGRXKWTKV-MRVPVSSYSA-N 1 2 247.258 2.194 20 5 BEBDLO O=[N+]([O-])CC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000930814597 639915421 /nfs/dbraw/zinc/91/54/21/639915421.db2.gz NIKZDAFYQGDKTK-UHFFFAOYSA-N 1 2 240.690 2.195 20 5 BEBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCCC(F)(F)C2)C1 ZINC001169008279 969333084 /nfs/dbraw/zinc/33/30/84/969333084.db2.gz SPVICJYDJDFDIZ-ZJUUUORDSA-N 1 2 248.273 2.163 20 5 BEBDLO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC(F)(F)C2)C1 ZINC001169008279 969333076 /nfs/dbraw/zinc/33/30/76/969333076.db2.gz SPVICJYDJDFDIZ-ZJUUUORDSA-N 1 2 248.273 2.163 20 5 BEBDLO [NH2+]=CNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001157077365 970076056 /nfs/dbraw/zinc/07/60/56/970076056.db2.gz AQSOHPJAROSFPT-UHFFFAOYSA-N 1 2 216.200 2.162 20 5 BEBDLO Cc1cc[nH+]c(C)c1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001227263381 975340581 /nfs/dbraw/zinc/34/05/81/975340581.db2.gz GAWQJNTUQCYKES-LLVKDONJSA-N 1 2 236.271 2.133 20 5 BEBDLO Cc1cc(NCc2ccccc2[N+](=O)[O-])nc[nH+]1 ZINC000050015858 178173801 /nfs/dbraw/zinc/17/38/01/178173801.db2.gz NZPNUSICGFRPAD-UHFFFAOYSA-N 1 2 244.254 2.305 20 5 BEBDLO Cc1cc([N+](=O)[O-])ccc1NCCn1cc[nH+]c1 ZINC000041120012 178272859 /nfs/dbraw/zinc/27/28/59/178272859.db2.gz OFGGLYSVCZDEKU-UHFFFAOYSA-N 1 2 246.270 2.212 20 5 BEBDLO Cc1noc(C[NH+](C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000599600922 349232078 /nfs/dbraw/zinc/23/20/78/349232078.db2.gz XZOKJHRGQMWRNC-UHFFFAOYSA-N 1 2 237.259 2.018 20 5 BEBDLO Cc1nc(NCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000054935912 180199908 /nfs/dbraw/zinc/19/99/08/180199908.db2.gz MITDORKBWIHZBV-UHFFFAOYSA-N 1 2 244.254 2.305 20 5 BEBDLO O=[N+]([O-])c1cc(C[NH2+]Cc2ccccn2)cs1 ZINC000037562514 364192062 /nfs/dbraw/zinc/19/20/62/364192062.db2.gz LDXIUKFUZISAPF-UHFFFAOYSA-N 1 2 249.295 2.341 20 5 BEBDLO CC[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1[nH]cc[nH+]1 ZINC000139778939 368155355 /nfs/dbraw/zinc/15/53/55/368155355.db2.gz HCJSAABCWBWMOX-SECBINFHSA-N 1 2 247.258 2.276 20 5 BEBDLO C[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000339578968 383997428 /nfs/dbraw/zinc/99/74/28/383997428.db2.gz UXCBAOWSYDJMOY-BDAKNGLRSA-N 1 2 236.271 2.141 20 5 BEBDLO C[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1C ZINC000339578968 383997434 /nfs/dbraw/zinc/99/74/34/383997434.db2.gz UXCBAOWSYDJMOY-BDAKNGLRSA-N 1 2 236.271 2.141 20 5 BEBDLO Cc1ccc(C[NH2+]C(CF)CF)cc1[N+](=O)[O-] ZINC000449374401 386011317 /nfs/dbraw/zinc/01/13/17/386011317.db2.gz YZXSTMQMYUQIEB-UHFFFAOYSA-N 1 2 244.241 2.300 20 5 BEBDLO C[C@H]([NH2+]Cc1ccon1)c1ccccc1[N+](=O)[O-] ZINC000093326685 388741272 /nfs/dbraw/zinc/74/12/72/388741272.db2.gz XPWOGNVGONTQMK-VIFPVBQESA-N 1 2 247.254 2.434 20 5 BEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(CF)CF ZINC000449382375 388748121 /nfs/dbraw/zinc/74/81/21/388748121.db2.gz WLHOOZPKVWBZEQ-UHFFFAOYSA-N 1 2 244.241 2.300 20 5 BEBDLO Cc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000336222781 518188783 /nfs/dbraw/zinc/18/87/83/518188783.db2.gz JLSDZGYOTWGOGU-NSHDSACASA-N 1 2 238.262 2.447 20 5 BEBDLO Cc1ccc(C[N@H+]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000336222781 518188784 /nfs/dbraw/zinc/18/87/84/518188784.db2.gz JLSDZGYOTWGOGU-NSHDSACASA-N 1 2 238.262 2.447 20 5 BEBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncco1 ZINC000886275528 592195317 /nfs/dbraw/zinc/19/53/17/592195317.db2.gz CFQQBLCQMNHMGX-SECBINFHSA-N 1 2 247.254 2.434 20 5 BEBDLO C[C@@H]1c2ccc(F)cc2CC[N@H+]1CC[N+](=O)[O-] ZINC000929689967 641398891 /nfs/dbraw/zinc/39/88/91/641398891.db2.gz JZXBARPDBVHJAD-SECBINFHSA-N 1 2 238.262 2.022 20 5 BEBDLO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC[N+](=O)[O-] ZINC000929689967 641398893 /nfs/dbraw/zinc/39/88/93/641398893.db2.gz JZXBARPDBVHJAD-SECBINFHSA-N 1 2 238.262 2.022 20 5 BEBDLO CCC[N@H+](CC[N+](=O)[O-])Cc1ccccc1F ZINC000929385061 646105381 /nfs/dbraw/zinc/10/53/81/646105381.db2.gz FGIQYDKNMSQTLB-UHFFFAOYSA-N 1 2 240.278 2.314 20 5 BEBDLO CCC[N@@H+](CC[N+](=O)[O-])Cc1ccccc1F ZINC000929385061 646105383 /nfs/dbraw/zinc/10/53/83/646105383.db2.gz FGIQYDKNMSQTLB-UHFFFAOYSA-N 1 2 240.278 2.314 20 5 BEBDLO Cc1nc(C)c([C@H](C)[N@H+](C)CC[N+](=O)[O-])s1 ZINC000929599792 646189578 /nfs/dbraw/zinc/18/95/78/646189578.db2.gz GWYVSDJBRPZPHK-QMMMGPOBSA-N 1 2 243.332 2.029 20 5 BEBDLO Cc1nc(C)c([C@H](C)[N@@H+](C)CC[N+](=O)[O-])s1 ZINC000929599792 646189582 /nfs/dbraw/zinc/18/95/82/646189582.db2.gz GWYVSDJBRPZPHK-QMMMGPOBSA-N 1 2 243.332 2.029 20 5 BEBDLO Cc1cc(NCc2cccc([N+](=O)[O-])c2)nc[nH+]1 ZINC000052942792 178173311 /nfs/dbraw/zinc/17/33/11/178173311.db2.gz FPFWUKNCNZWLLD-UHFFFAOYSA-N 1 2 244.254 2.305 20 5 BEBDLO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000349199460 136331498 /nfs/dbraw/zinc/33/14/98/136331498.db2.gz MFWLTEXGAQULSN-SECBINFHSA-N 1 2 247.254 2.434 20 5 BEBDLO O=[N+]([O-])c1cc(C[N@H+]2CC=CCC2)cs1 ZINC000611517613 344749528 /nfs/dbraw/zinc/74/95/28/344749528.db2.gz YJLMXXGOSPMMJS-UHFFFAOYSA-N 1 2 224.285 2.418 20 5 BEBDLO O=[N+]([O-])c1cc(C[N@@H+]2CC=CCC2)cs1 ZINC000611517613 344749530 /nfs/dbraw/zinc/74/95/30/344749530.db2.gz YJLMXXGOSPMMJS-UHFFFAOYSA-N 1 2 224.285 2.418 20 5 BEBDLO Cc1cc(N(C)Cc2c[nH+]c[nH]2)ccc1[N+](=O)[O-] ZINC000596307490 348492784 /nfs/dbraw/zinc/49/27/84/348492784.db2.gz YGBHSRWSXMFNLR-UHFFFAOYSA-N 1 2 246.270 2.263 20 5 BEBDLO Cc1cc(N(C)Cc2c[nH]c[nH+]2)ccc1[N+](=O)[O-] ZINC000596307490 348492785 /nfs/dbraw/zinc/49/27/85/348492785.db2.gz YGBHSRWSXMFNLR-UHFFFAOYSA-N 1 2 246.270 2.263 20 5 BEBDLO CN(Cc1[nH]cc[nH+]1)c1ccsc1[N+](=O)[O-] ZINC000617451028 351367536 /nfs/dbraw/zinc/36/75/36/351367536.db2.gz IYTQPEQMHKPKMY-UHFFFAOYSA-N 1 2 238.272 2.016 20 5 BEBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349235250 368141181 /nfs/dbraw/zinc/14/11/81/368141181.db2.gz BPKYWHKSRICFKD-VIFPVBQESA-N 1 2 247.254 2.434 20 5 BEBDLO CC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602796560 371840987 /nfs/dbraw/zinc/84/09/87/371840987.db2.gz CQSBHHLWSFQZPP-UHFFFAOYSA-N 1 2 248.282 2.148 20 5 BEBDLO CC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602796560 371840994 /nfs/dbraw/zinc/84/09/94/371840994.db2.gz CQSBHHLWSFQZPP-UHFFFAOYSA-N 1 2 248.282 2.148 20 5 BEBDLO Cc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000336222780 384161221 /nfs/dbraw/zinc/16/12/21/384161221.db2.gz JLSDZGYOTWGOGU-LLVKDONJSA-N 1 2 238.262 2.447 20 5 BEBDLO Cc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000336222780 384161228 /nfs/dbraw/zinc/16/12/28/384161228.db2.gz JLSDZGYOTWGOGU-LLVKDONJSA-N 1 2 238.262 2.447 20 5 BEBDLO Cc1ccc(C[NH2+]CC(F)F)cc1[N+](=O)[O-] ZINC000147309833 384452835 /nfs/dbraw/zinc/45/28/35/384452835.db2.gz IGKGALNVMJIDED-UHFFFAOYSA-N 1 2 230.214 2.258 20 5 BEBDLO Cc1c(C[NH2+]Cc2cocn2)cccc1[N+](=O)[O-] ZINC000395188750 384518223 /nfs/dbraw/zinc/51/82/23/384518223.db2.gz ZZPWHDDVSPANAO-UHFFFAOYSA-N 1 2 247.254 2.181 20 5 BEBDLO Cc1ccc([N+](=O)[O-])c(NCc2[nH+]ccn2C)c1 ZINC000084726562 384865785 /nfs/dbraw/zinc/86/57/85/384865785.db2.gz FAKAGTNCTOCOEM-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO Nc1ccc(CNc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000302792192 388345633 /nfs/dbraw/zinc/34/56/33/388345633.db2.gz ZEORKBLMZWVVST-UHFFFAOYSA-N 1 2 244.254 2.184 20 5 BEBDLO Cc1ccc(COCc2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000865362383 589426096 /nfs/dbraw/zinc/42/60/96/589426096.db2.gz SXVKNPPOILUBEU-UHFFFAOYSA-N 1 2 247.254 2.343 20 5 BEBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC(F)(F)C2)C1 ZINC001169008274 969332719 /nfs/dbraw/zinc/33/27/19/969332719.db2.gz SPVICJYDJDFDIZ-NXEZZACHSA-N 1 2 248.273 2.163 20 5 BEBDLO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCCC(F)(F)C2)C1 ZINC001169008274 969332724 /nfs/dbraw/zinc/33/27/24/969332724.db2.gz SPVICJYDJDFDIZ-NXEZZACHSA-N 1 2 248.273 2.163 20 5 BEBDLO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCC(F)(F)C2)C1 ZINC001169008275 969334919 /nfs/dbraw/zinc/33/49/19/969334919.db2.gz SPVICJYDJDFDIZ-UWVGGRQHSA-N 1 2 248.273 2.163 20 5 BEBDLO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCCC(F)(F)C2)C1 ZINC001169008275 969334924 /nfs/dbraw/zinc/33/49/24/969334924.db2.gz SPVICJYDJDFDIZ-UWVGGRQHSA-N 1 2 248.273 2.163 20 5 BEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOC1CC1)C2 ZINC001332658869 975242478 /nfs/dbraw/zinc/24/24/78/975242478.db2.gz YIFKRANDWSVLLT-UHFFFAOYSA-N 1 2 248.282 2.089 20 5 BEBDLO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOC1CC1)C2 ZINC001332658869 975242485 /nfs/dbraw/zinc/24/24/85/975242485.db2.gz YIFKRANDWSVLLT-UHFFFAOYSA-N 1 2 248.282 2.089 20 5 BEBDLO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)no1 ZINC000044692480 178027741 /nfs/dbraw/zinc/02/77/41/178027741.db2.gz ICVVCZZWCYSPHU-UHFFFAOYSA-N 1 2 247.254 2.181 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000611271842 344445381 /nfs/dbraw/zinc/44/53/81/344445381.db2.gz FCGOPTJDNSGQLN-BXKDBHETSA-N 1 2 248.282 2.285 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000611271842 344445383 /nfs/dbraw/zinc/44/53/83/344445383.db2.gz FCGOPTJDNSGQLN-BXKDBHETSA-N 1 2 248.282 2.285 20 5 BEBDLO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cscn1 ZINC000048556833 358640312 /nfs/dbraw/zinc/64/03/12/358640312.db2.gz ZFYBBXHMRZVUKM-UHFFFAOYSA-N 1 2 249.295 2.341 20 5 BEBDLO O=[N+]([O-])c1ccccc1C=CCNc1c[nH]c[nH+]1 ZINC000573651674 364884183 /nfs/dbraw/zinc/88/41/83/364884183.db2.gz OKLVSXXUESKKGI-HWKANZROSA-N 1 2 244.254 2.443 20 5 BEBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349235248 368141739 /nfs/dbraw/zinc/14/17/39/368141739.db2.gz BPKYWHKSRICFKD-SECBINFHSA-N 1 2 247.254 2.434 20 5 BEBDLO CCc1cn(Cc2csc([N+](=O)[O-])c2)c[nH+]1 ZINC001644228275 1172535695 /nfs/dbraw/zinc/53/56/95/1172535695.db2.gz VVKUVCAVAJEOGE-UHFFFAOYSA-N 1 2 237.284 2.464 20 5 BEBDLO Cc1c(C[N@@H+]2CC[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000336259770 384186033 /nfs/dbraw/zinc/18/60/33/384186033.db2.gz SJNHYESWKPQFLW-NSHDSACASA-N 1 2 238.262 2.447 20 5 BEBDLO Cc1c(C[N@H+]2CC[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000336259770 384186038 /nfs/dbraw/zinc/18/60/38/384186038.db2.gz SJNHYESWKPQFLW-NSHDSACASA-N 1 2 238.262 2.447 20 5 BEBDLO C[C@H]([NH2+]Cc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000080582008 384865144 /nfs/dbraw/zinc/86/51/44/384865144.db2.gz TUKMHCPYAJBSKU-VIFPVBQESA-N 1 2 246.270 2.169 20 5 BEBDLO CCC1C[NH+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000453611216 385771529 /nfs/dbraw/zinc/77/15/29/385771529.db2.gz ZYWARYUSAWHAOR-UHFFFAOYSA-N 1 2 226.301 2.498 20 5 BEBDLO Cc1nocc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000294249192 386646046 /nfs/dbraw/zinc/64/60/46/386646046.db2.gz UMQXBUXHFZEGHR-UHFFFAOYSA-N 1 2 247.254 2.181 20 5 BEBDLO C[C@H]([NH2+]Cc1cocn1)c1cccc([N+](=O)[O-])c1 ZINC000237521960 387596401 /nfs/dbraw/zinc/59/64/01/387596401.db2.gz OVKCZGXXVVOAFS-VIFPVBQESA-N 1 2 247.254 2.434 20 5 BEBDLO C[C@H]([NH2+]Cc1ccno1)c1ccccc1[N+](=O)[O-] ZINC000224009508 387545210 /nfs/dbraw/zinc/54/52/10/387545210.db2.gz UQWTVSICUWRBOL-VIFPVBQESA-N 1 2 247.254 2.434 20 5 BEBDLO O=[N+]([O-])c1ccc(-n2cc[nH+]c2)c2ccncc21 ZINC000070162908 388728478 /nfs/dbraw/zinc/72/84/78/388728478.db2.gz HMHMUDFFZPUZBQ-UHFFFAOYSA-N 1 2 240.222 2.329 20 5 BEBDLO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000168867656 176304088 /nfs/dbraw/zinc/30/40/88/176304088.db2.gz VLSJQCWTXAQFIP-SNVBAGLBSA-N 1 2 248.282 2.006 20 5 BEBDLO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000168867656 176304089 /nfs/dbraw/zinc/30/40/89/176304089.db2.gz VLSJQCWTXAQFIP-SNVBAGLBSA-N 1 2 248.282 2.006 20 5 BEBDLO Cc1ccc(CNc2c[nH]c[nH+]2)cc1[N+](=O)[O-] ZINC000566827778 326085965 /nfs/dbraw/zinc/08/59/65/326085965.db2.gz FLDSWDUKCDCCCD-UHFFFAOYSA-N 1 2 232.243 2.238 20 5 BEBDLO Cc1c(COCc2[nH]cc[nH+]2)cccc1[N+](=O)[O-] ZINC000123851429 488149844 /nfs/dbraw/zinc/14/98/44/488149844.db2.gz PFOWFNFDMNDTEI-UHFFFAOYSA-N 1 2 247.254 2.343 20 5 BEBDLO C[N@H+](CC[N+](=O)[O-])Cc1ccccc1Cl ZINC000791054469 585973122 /nfs/dbraw/zinc/97/31/22/585973122.db2.gz VKBNJADIJGHTHV-UHFFFAOYSA-N 1 2 228.679 2.049 20 5 BEBDLO C[N@@H+](CC[N+](=O)[O-])Cc1ccccc1Cl ZINC000791054469 585973123 /nfs/dbraw/zinc/97/31/23/585973123.db2.gz VKBNJADIJGHTHV-UHFFFAOYSA-N 1 2 228.679 2.049 20 5 BEBDLO CC(C)[N@H+](CC[N+](=O)[O-])Cc1ccccc1F ZINC000929380832 646104253 /nfs/dbraw/zinc/10/42/53/646104253.db2.gz VNAKMJVPUOFSFU-UHFFFAOYSA-N 1 2 240.278 2.313 20 5 BEBDLO CC(C)[N@@H+](CC[N+](=O)[O-])Cc1ccccc1F ZINC000929380832 646104261 /nfs/dbraw/zinc/10/42/61/646104261.db2.gz VNAKMJVPUOFSFU-UHFFFAOYSA-N 1 2 240.278 2.313 20 5 BEBDLO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC[N+](=O)[O-] ZINC000929689246 646245355 /nfs/dbraw/zinc/24/53/55/646245355.db2.gz SUROQXVPYHNZMP-SECBINFHSA-N 1 2 238.262 2.022 20 5 BEBDLO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC[N+](=O)[O-] ZINC000929689246 646245361 /nfs/dbraw/zinc/24/53/61/646245361.db2.gz SUROQXVPYHNZMP-SECBINFHSA-N 1 2 238.262 2.022 20 5 BEBDLO O=[N+]([O-])c1cc(Cn2cc[nH+]c2)ccc1Cl ZINC000034423537 646667636 /nfs/dbraw/zinc/66/76/36/646667636.db2.gz BWIVSLKGPPEFIP-UHFFFAOYSA-N 1 2 237.646 2.493 20 5 BEBDLO CC(C)(C)C(=[NH2+])Nc1cccc([N+](=O)[O-])n1 ZINC001155176251 962998410 /nfs/dbraw/zinc/99/84/10/962998410.db2.gz WCXOPXOHVBVUKI-UHFFFAOYSA-N 1 2 222.248 2.425 20 5 BEBDLO Cc1ccc2c(N)[nH+]ccc2c1[N+](=O)[O-] ZINC001161693772 964690081 /nfs/dbraw/zinc/69/00/81/964690081.db2.gz CZLMPMHXYKGDMO-UHFFFAOYSA-N 1 2 203.201 2.034 20 5 BEBDLO CC(C)[NH+]1CC(Oc2ccccc2[N+](=O)[O-])C1 ZINC001227481135 975460751 /nfs/dbraw/zinc/46/07/51/975460751.db2.gz RLGGMVDGWOYYEG-UHFFFAOYSA-N 1 2 236.271 2.066 20 5 BEBDLO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc[nH+]1 ZINC000078405639 398145793 /nfs/dbraw/zinc/14/57/93/398145793.db2.gz VDXOVHRWDQFAMU-UHFFFAOYSA-N 1 2 247.210 2.144 20 5 BEBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000334238730 343843081 /nfs/dbraw/zinc/84/30/81/343843081.db2.gz KBUHSYAZJJFKRQ-HTQZYQBOSA-N 1 2 226.301 2.497 20 5 BEBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000334238730 343843082 /nfs/dbraw/zinc/84/30/82/343843082.db2.gz KBUHSYAZJJFKRQ-HTQZYQBOSA-N 1 2 226.301 2.497 20 5 BEBDLO Cc1nn(Cc2ccc(C)[nH+]c2)c(C)c1[N+](=O)[O-] ZINC000610748879 344143366 /nfs/dbraw/zinc/14/33/66/344143366.db2.gz OWRCCMVROKWKKJ-UHFFFAOYSA-N 1 2 246.270 2.160 20 5 BEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC=CCC1 ZINC000595428164 348247787 /nfs/dbraw/zinc/24/77/87/348247787.db2.gz MYKXIUAMAJCYIV-UHFFFAOYSA-N 1 2 236.246 2.496 20 5 BEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC=CCC1 ZINC000595428164 348247789 /nfs/dbraw/zinc/24/77/89/348247789.db2.gz MYKXIUAMAJCYIV-UHFFFAOYSA-N 1 2 236.246 2.496 20 5 BEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000595513917 348266933 /nfs/dbraw/zinc/26/69/33/348266933.db2.gz HTHJRLWFYAMQIW-SNVBAGLBSA-N 1 2 242.225 2.278 20 5 BEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](F)C1 ZINC000595513917 348266935 /nfs/dbraw/zinc/26/69/35/348266935.db2.gz HTHJRLWFYAMQIW-SNVBAGLBSA-N 1 2 242.225 2.278 20 5 BEBDLO O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC1 ZINC000599022486 349077497 /nfs/dbraw/zinc/07/74/97/349077497.db2.gz LPFTWZFLRXABNS-UHFFFAOYSA-N 1 2 229.239 2.353 20 5 BEBDLO Cc1cccc(OCc2c[nH+]cn2C)c1[N+](=O)[O-] ZINC000270076653 188374726 /nfs/dbraw/zinc/37/47/26/188374726.db2.gz KOLQAYBOBOOJEW-UHFFFAOYSA-N 1 2 247.254 2.216 20 5 BEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC1 ZINC000093475660 353487055 /nfs/dbraw/zinc/48/70/55/353487055.db2.gz PVLKKQFGQKNIJV-UHFFFAOYSA-N 1 2 236.271 2.285 20 5 BEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CCC1 ZINC000093475660 353487056 /nfs/dbraw/zinc/48/70/56/353487056.db2.gz PVLKKQFGQKNIJV-UHFFFAOYSA-N 1 2 236.271 2.285 20 5 BEBDLO CC[C@H](Nc1ccc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000139766692 367996794 /nfs/dbraw/zinc/99/67/94/367996794.db2.gz VUACLJISVMMXPL-VIFPVBQESA-N 1 2 247.258 2.276 20 5 BEBDLO CC(C)(Nc1ccc([N+](=O)[O-])cn1)c1[nH]cc[nH+]1 ZINC000603407526 371890539 /nfs/dbraw/zinc/89/05/39/371890539.db2.gz VCQSRSGIILLKJP-UHFFFAOYSA-N 1 2 247.258 2.060 20 5 BEBDLO Cc1nc(N[C@H](C)c2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000139857147 372214575 /nfs/dbraw/zinc/21/45/75/372214575.db2.gz PJHFEDJOZGQYEA-MRVPVSSYSA-N 1 2 247.258 2.194 20 5 BEBDLO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC(F)F ZINC000362310256 384191654 /nfs/dbraw/zinc/19/16/54/384191654.db2.gz YIEUBWASTNKBCT-HYXAFXHYSA-N 1 2 242.225 2.463 20 5 BEBDLO C[N@H+](Cc1ccno1)Cc1ccccc1[N+](=O)[O-] ZINC000298286047 411437716 /nfs/dbraw/zinc/43/77/16/411437716.db2.gz PIKNOCFEUBPYEX-UHFFFAOYSA-N 1 2 247.254 2.215 20 5 BEBDLO C[N@@H+](Cc1ccno1)Cc1ccccc1[N+](=O)[O-] ZINC000298286047 411437718 /nfs/dbraw/zinc/43/77/18/411437718.db2.gz PIKNOCFEUBPYEX-UHFFFAOYSA-N 1 2 247.254 2.215 20 5 BEBDLO Cc1nc(NCc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000054936567 322857990 /nfs/dbraw/zinc/85/79/90/322857990.db2.gz GCEIAGFHSDAQLB-UHFFFAOYSA-N 1 2 244.254 2.305 20 5 BEBDLO CNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050848427 490563996 /nfs/dbraw/zinc/56/39/96/490563996.db2.gz VBICMMPMDGPLKN-UHFFFAOYSA-N 1 2 244.254 2.402 20 5 BEBDLO Cc1ccc(N(C)Cc2c[nH+]c[nH]2)c([N+](=O)[O-])c1 ZINC000853743127 588760921 /nfs/dbraw/zinc/76/09/21/588760921.db2.gz JZHQOXQUYMDADO-UHFFFAOYSA-N 1 2 246.270 2.263 20 5 BEBDLO Cc1ccc(N(C)Cc2c[nH]c[nH+]2)c([N+](=O)[O-])c1 ZINC000853743127 588760922 /nfs/dbraw/zinc/76/09/22/588760922.db2.gz JZHQOXQUYMDADO-UHFFFAOYSA-N 1 2 246.270 2.263 20 5 BEBDLO C[C@H](c1ccccc1F)[N@H+](C)CC[N+](=O)[O-] ZINC000791054615 585973200 /nfs/dbraw/zinc/97/32/00/585973200.db2.gz WHJBAIVTCGALHG-SECBINFHSA-N 1 2 226.251 2.095 20 5 BEBDLO C[C@H](c1ccccc1F)[N@@H+](C)CC[N+](=O)[O-] ZINC000791054615 585973201 /nfs/dbraw/zinc/97/32/01/585973201.db2.gz WHJBAIVTCGALHG-SECBINFHSA-N 1 2 226.251 2.095 20 5 BEBDLO C[C@@H]([NH2+]CCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872070442 589864276 /nfs/dbraw/zinc/86/42/76/589864276.db2.gz ZVTPVAFFLPCQGW-SSDOTTSWSA-N 1 2 230.214 2.354 20 5 BEBDLO Cc1nc(C)c([C@@H](C)[N@H+](C)CC[N+](=O)[O-])s1 ZINC000929599790 646191345 /nfs/dbraw/zinc/19/13/45/646191345.db2.gz GWYVSDJBRPZPHK-MRVPVSSYSA-N 1 2 243.332 2.029 20 5 BEBDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC[N+](=O)[O-])s1 ZINC000929599790 646191348 /nfs/dbraw/zinc/19/13/48/646191348.db2.gz GWYVSDJBRPZPHK-MRVPVSSYSA-N 1 2 243.332 2.029 20 5 BEBDLO [NH2+]=CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001157078491 970078732 /nfs/dbraw/zinc/07/87/32/970078732.db2.gz NJUFNEYATLPFQQ-UHFFFAOYSA-N 1 2 216.200 2.162 20 5 BEBDLO CCc1cn(Cc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC001559465958 991112611 /nfs/dbraw/zinc/11/26/11/991112611.db2.gz HMMORUUQUFDKRA-UHFFFAOYSA-N 1 2 231.255 2.402 20 5 BEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(F)F ZINC000298186230 178271084 /nfs/dbraw/zinc/27/10/84/178271084.db2.gz WILLLCQSRDMVQR-UHFFFAOYSA-N 1 2 230.214 2.258 20 5 BEBDLO O=[N+]([O-])c1cccc(C[NH+]2CC(C(F)F)C2)c1 ZINC000610892670 344159263 /nfs/dbraw/zinc/15/92/63/344159263.db2.gz PZHCYWKERIKRDB-UHFFFAOYSA-N 1 2 242.225 2.292 20 5 BEBDLO Cc1ccc([N+](=O)[O-])c(N(C)Cc2c[nH+]c[nH]2)c1 ZINC000596307548 348492666 /nfs/dbraw/zinc/49/26/66/348492666.db2.gz ZULKSVXVXREQHH-UHFFFAOYSA-N 1 2 246.270 2.263 20 5 BEBDLO Cc1ccc([N+](=O)[O-])c(N(C)Cc2c[nH]c[nH+]2)c1 ZINC000596307548 348492668 /nfs/dbraw/zinc/49/26/68/348492668.db2.gz ZULKSVXVXREQHH-UHFFFAOYSA-N 1 2 246.270 2.263 20 5 BEBDLO Cc1[nH+]cn(Cc2cc(O)ccc2[N+](=O)[O-])c1C ZINC000338995474 180287543 /nfs/dbraw/zinc/28/75/43/180287543.db2.gz PNGZKHMKNBJCAR-UHFFFAOYSA-N 1 2 247.254 2.162 20 5 BEBDLO Cc1cc([N+](=O)[O-])ccc1NCc1[nH+]ccn1C ZINC000051922510 350654434 /nfs/dbraw/zinc/65/44/34/350654434.db2.gz ZTSHCXFAFZUZBA-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO CC[C@@H](Nc1ncccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000139772113 367993958 /nfs/dbraw/zinc/99/39/58/367993958.db2.gz ZFXSSKGOFVRZDY-MRVPVSSYSA-N 1 2 247.258 2.276 20 5 BEBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349241493 368143403 /nfs/dbraw/zinc/14/34/03/368143403.db2.gz NRIPTEODZBJDMD-VIFPVBQESA-N 1 2 247.254 2.434 20 5 BEBDLO C[C@H]([NH2+]Cc1c[nH]cn1)c1ccc([N+](=O)[O-])cc1 ZINC000088750668 387721772 /nfs/dbraw/zinc/72/17/72/387721772.db2.gz BCPVPTHFXCHGLX-VIFPVBQESA-N 1 2 246.270 2.169 20 5 BEBDLO CN(CC[N@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000274458847 388732231 /nfs/dbraw/zinc/73/22/31/388732231.db2.gz KAPUERLFVNVPJE-UHFFFAOYSA-N 1 2 249.314 2.125 20 5 BEBDLO CN(CC[N@@H+](C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000274458847 388732237 /nfs/dbraw/zinc/73/22/37/388732237.db2.gz KAPUERLFVNVPJE-UHFFFAOYSA-N 1 2 249.314 2.125 20 5 BEBDLO O=[N+]([O-])c1cc(C[NH+]2CC3(CC3)C2)cs1 ZINC000334742520 133746046 /nfs/dbraw/zinc/74/60/46/133746046.db2.gz JRYQUYLXGLBOBS-UHFFFAOYSA-N 1 2 224.285 2.252 20 5 BEBDLO CC1=CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339155113 168100257 /nfs/dbraw/zinc/10/02/57/168100257.db2.gz ODRLXKHSQAFURV-UHFFFAOYSA-N 1 2 248.282 2.452 20 5 BEBDLO CC1=CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000339155113 168100260 /nfs/dbraw/zinc/10/02/60/168100260.db2.gz ODRLXKHSQAFURV-UHFFFAOYSA-N 1 2 248.282 2.452 20 5 BEBDLO CCOCC[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000093316680 170390900 /nfs/dbraw/zinc/39/09/00/170390900.db2.gz PNVIKMOKTVXBHN-UHFFFAOYSA-N 1 2 244.316 2.125 20 5 BEBDLO CCOCC[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000093316680 170390902 /nfs/dbraw/zinc/39/09/02/170390902.db2.gz PNVIKMOKTVXBHN-UHFFFAOYSA-N 1 2 244.316 2.125 20 5 BEBDLO Cc1cn(Cc2cc(C)cc(C)[nH+]2)nc1[N+](=O)[O-] ZINC000902738901 584663148 /nfs/dbraw/zinc/66/31/48/584663148.db2.gz NTDXPMPHDRVJEA-UHFFFAOYSA-N 1 2 246.270 2.160 20 5 BEBDLO CC[N@H+](CC[N+](=O)[O-])Cc1ccccc1Cl ZINC000791054803 585973003 /nfs/dbraw/zinc/97/30/03/585973003.db2.gz YDUPFHKEFYTLNZ-UHFFFAOYSA-N 1 2 242.706 2.439 20 5 BEBDLO CC[N@@H+](CC[N+](=O)[O-])Cc1ccccc1Cl ZINC000791054803 585973004 /nfs/dbraw/zinc/97/30/04/585973004.db2.gz YDUPFHKEFYTLNZ-UHFFFAOYSA-N 1 2 242.706 2.439 20 5 BEBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncco1 ZINC000886275529 592195495 /nfs/dbraw/zinc/19/54/95/592195495.db2.gz CFQQBLCQMNHMGX-VIFPVBQESA-N 1 2 247.254 2.434 20 5 BEBDLO CC1(C)C[N@H+](CC[N+](=O)[O-])[C@H]1c1cccs1 ZINC000930492843 639782322 /nfs/dbraw/zinc/78/23/22/639782322.db2.gz KEFYRWKDWHMJOF-JTQLQIEISA-N 1 2 240.328 2.408 20 5 BEBDLO CC1(C)C[N@@H+](CC[N+](=O)[O-])[C@H]1c1cccs1 ZINC000930492843 639782327 /nfs/dbraw/zinc/78/23/27/639782327.db2.gz KEFYRWKDWHMJOF-JTQLQIEISA-N 1 2 240.328 2.408 20 5 BEBDLO Cc1cc(N(C)Cc2[nH]cc[nH+]2)ccc1[N+](=O)[O-] ZINC000356868312 178099931 /nfs/dbraw/zinc/09/99/31/178099931.db2.gz SXZVDDGTAXVNPM-UHFFFAOYSA-N 1 2 246.270 2.263 20 5 BEBDLO Cc1cc(NCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000041065941 178163074 /nfs/dbraw/zinc/16/30/74/178163074.db2.gz OHLQYZVQOUVXHG-UHFFFAOYSA-N 1 2 246.270 2.212 20 5 BEBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000349199461 136331236 /nfs/dbraw/zinc/33/12/36/136331236.db2.gz MFWLTEXGAQULSN-VIFPVBQESA-N 1 2 247.254 2.434 20 5 BEBDLO O=[N+]([O-])c1ccc(-c2c[nH+]c3n2CCCC3)cn1 ZINC000600846140 344382796 /nfs/dbraw/zinc/38/27/96/344382796.db2.gz VPRWGLFBWVIFKW-UHFFFAOYSA-N 1 2 244.254 2.190 20 5 BEBDLO CC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000338906422 344588150 /nfs/dbraw/zinc/58/81/50/344588150.db2.gz UORSBHCVQGATKX-UHFFFAOYSA-N 1 2 236.271 2.285 20 5 BEBDLO CC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000338906422 344588153 /nfs/dbraw/zinc/58/81/53/344588153.db2.gz UORSBHCVQGATKX-UHFFFAOYSA-N 1 2 236.271 2.285 20 5 BEBDLO C[C@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092471177 345622172 /nfs/dbraw/zinc/62/21/72/345622172.db2.gz HQCDJOFEPRHXHT-VIFPVBQESA-N 1 2 236.271 2.142 20 5 BEBDLO C[C@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092471177 345622174 /nfs/dbraw/zinc/62/21/74/345622174.db2.gz HQCDJOFEPRHXHT-VIFPVBQESA-N 1 2 236.271 2.142 20 5 BEBDLO CC(F)(F)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000199342730 345727416 /nfs/dbraw/zinc/72/74/16/345727416.db2.gz ILHTUQQZQCLLBE-UHFFFAOYSA-N 1 2 230.214 2.340 20 5 BEBDLO COc1ccc(C[NH+]2CC3(CC3)C2)cc1[N+](=O)[O-] ZINC000449371055 201889489 /nfs/dbraw/zinc/88/94/89/201889489.db2.gz PUXDXTUJSOGDCG-UHFFFAOYSA-N 1 2 248.282 2.199 20 5 BEBDLO O=[N+]([O-])c1ccccc1NCCCn1cc[nH+]c1 ZINC000020298788 349327702 /nfs/dbraw/zinc/32/77/02/349327702.db2.gz YZWMISWSZWUJLG-UHFFFAOYSA-N 1 2 246.270 2.294 20 5 BEBDLO Cc1cc(-n2cc[nH+]c2)c([N+](=O)[O-])s1 ZINC001641990725 1172315847 /nfs/dbraw/zinc/31/58/47/1172315847.db2.gz PGWKEFKTMBCTJF-UHFFFAOYSA-N 1 2 209.230 2.150 20 5 BEBDLO CC1C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602637577 371826435 /nfs/dbraw/zinc/82/64/35/371826435.db2.gz FYBAYJNKXPVWCT-UHFFFAOYSA-N 1 2 247.254 2.188 20 5 BEBDLO CC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602800861 371842686 /nfs/dbraw/zinc/84/26/86/371842686.db2.gz XRSDGTMLMGPOIB-UHFFFAOYSA-N 1 2 248.282 2.148 20 5 BEBDLO CC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602800861 371842695 /nfs/dbraw/zinc/84/26/95/371842695.db2.gz XRSDGTMLMGPOIB-UHFFFAOYSA-N 1 2 248.282 2.148 20 5 BEBDLO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC000228512254 372039186 /nfs/dbraw/zinc/03/91/86/372039186.db2.gz KAJCYSREEUVRJA-SSDOTTSWSA-N 1 2 230.214 2.338 20 5 BEBDLO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000285846273 384220860 /nfs/dbraw/zinc/22/08/60/384220860.db2.gz CPOVLOLJFMVUPR-UHFFFAOYSA-N 1 2 242.225 2.467 20 5 BEBDLO C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000285846273 384220865 /nfs/dbraw/zinc/22/08/65/384220865.db2.gz CPOVLOLJFMVUPR-UHFFFAOYSA-N 1 2 242.225 2.467 20 5 BEBDLO Cc1c(NCc2c[nH+]cn2C)cccc1[N+](=O)[O-] ZINC000090165920 388393271 /nfs/dbraw/zinc/39/32/71/388393271.db2.gz FURATUWSUTXIQK-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO Cc1ccc(NCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000090165897 388394219 /nfs/dbraw/zinc/39/42/19/388394219.db2.gz OGXSBAGWFFYVIN-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO C[C@@H]([NH2+]Cc1c[nH]cn1)c1cccc([N+](=O)[O-])c1 ZINC000054765051 388584874 /nfs/dbraw/zinc/58/48/74/388584874.db2.gz NMWFLACWFOKWGT-SECBINFHSA-N 1 2 246.270 2.169 20 5 BEBDLO O=[N+]([O-])c1ccc(-n2cc[nH+]c2)c2ncccc12 ZINC000070163252 388728377 /nfs/dbraw/zinc/72/83/77/388728377.db2.gz VHXUNFJGBCXQGV-UHFFFAOYSA-N 1 2 240.222 2.329 20 5 BEBDLO CCn1cc[nH+]c1CNc1ccccc1[N+](=O)[O-] ZINC000051922472 172225428 /nfs/dbraw/zinc/22/54/28/172225428.db2.gz HCCJLJFMPHKVPW-UHFFFAOYSA-N 1 2 246.270 2.423 20 5 BEBDLO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549613733 325509866 /nfs/dbraw/zinc/50/98/66/325509866.db2.gz OBAIGQSYQSGPMW-RKDXNWHRSA-N 1 2 236.271 2.283 20 5 BEBDLO Cc1c(C[NH2+]CC(F)F)cccc1[N+](=O)[O-] ZINC000147618426 583663185 /nfs/dbraw/zinc/66/31/85/583663185.db2.gz VVUQTVHWWDFXFU-UHFFFAOYSA-N 1 2 230.214 2.258 20 5 BEBDLO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ncco1 ZINC000886275858 592195863 /nfs/dbraw/zinc/19/58/63/592195863.db2.gz OSGBQVVSNGJJRR-SECBINFHSA-N 1 2 247.254 2.434 20 5 BEBDLO CSc1ccccc1C[N@H+](C)CC[N+](=O)[O-] ZINC000930274536 639677479 /nfs/dbraw/zinc/67/74/79/639677479.db2.gz UILUJVFYOLCNTD-UHFFFAOYSA-N 1 2 240.328 2.117 20 5 BEBDLO CSc1ccccc1C[N@@H+](C)CC[N+](=O)[O-] ZINC000930274536 639677483 /nfs/dbraw/zinc/67/74/83/639677483.db2.gz UILUJVFYOLCNTD-UHFFFAOYSA-N 1 2 240.328 2.117 20 5 BEBDLO Cc1cc[nH+]c(C)c1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001227263382 975339675 /nfs/dbraw/zinc/33/96/75/975339675.db2.gz GAWQJNTUQCYKES-NSHDSACASA-N 1 2 236.271 2.133 20 5 BEBDLO Cc1cc(NCc2c[nH+]cn2C)ccc1[N+](=O)[O-] ZINC000090167158 178174566 /nfs/dbraw/zinc/17/45/66/178174566.db2.gz CENJCOREYRTMDZ-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO O=[N+]([O-])c1cc(F)c(Cn2cc[nH+]c2)c(F)c1 ZINC000335776444 344029221 /nfs/dbraw/zinc/02/92/21/344029221.db2.gz KEIJONWEFLRGHW-UHFFFAOYSA-N 1 2 239.181 2.118 20 5 BEBDLO C[C@@H](Cn1cc[nH+]c1)Nc1ccccc1[N+](=O)[O-] ZINC000049235889 343594327 /nfs/dbraw/zinc/59/43/27/343594327.db2.gz CQHCLIHVZJVVAE-JTQLQIEISA-N 1 2 246.270 2.292 20 5 BEBDLO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092471176 353424727 /nfs/dbraw/zinc/42/47/27/353424727.db2.gz HQCDJOFEPRHXHT-SECBINFHSA-N 1 2 236.271 2.142 20 5 BEBDLO C[C@@H]1CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000092471176 353424728 /nfs/dbraw/zinc/42/47/28/353424728.db2.gz HQCDJOFEPRHXHT-SECBINFHSA-N 1 2 236.271 2.142 20 5 BEBDLO C[C@H](Cn1cc[nH+]c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000049236015 358677000 /nfs/dbraw/zinc/67/70/00/358677000.db2.gz VANVQIJWRPNSQH-SNVBAGLBSA-N 1 2 246.270 2.292 20 5 BEBDLO C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000157200202 371534839 /nfs/dbraw/zinc/53/48/39/371534839.db2.gz PPECEPIZVBREAW-MRVPVSSYSA-N 1 2 232.243 2.491 20 5 BEBDLO Cc1cnc(N[C@H](C)c2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000139880345 372238727 /nfs/dbraw/zinc/23/87/27/372238727.db2.gz WDGOUGPYGNZCOY-MRVPVSSYSA-N 1 2 247.258 2.194 20 5 BEBDLO O=[N+]([O-])c1ccc(C[NH2+]Cc2cscn2)cc1 ZINC000040505223 373354973 /nfs/dbraw/zinc/35/49/73/373354973.db2.gz BSZNDGONGOOQQV-UHFFFAOYSA-N 1 2 249.295 2.341 20 5 BEBDLO CN(Cc1[nH]cc[nH+]1)c1sccc1[N+](=O)[O-] ZINC000611411889 383956411 /nfs/dbraw/zinc/95/64/11/383956411.db2.gz AWLZWDYUCZVLBU-UHFFFAOYSA-N 1 2 238.272 2.016 20 5 BEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](F)C2)cc1 ZINC000336222731 384165578 /nfs/dbraw/zinc/16/55/78/384165578.db2.gz GABAJMALYIVIGB-JTQLQIEISA-N 1 2 224.235 2.139 20 5 BEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](F)C2)cc1 ZINC000336222731 384165585 /nfs/dbraw/zinc/16/55/85/384165585.db2.gz GABAJMALYIVIGB-JTQLQIEISA-N 1 2 224.235 2.139 20 5 BEBDLO O=[N+]([O-])c1cccc2c1CC[C@H]2Nc1c[nH]c[nH+]1 ZINC000573106578 385441875 /nfs/dbraw/zinc/44/18/75/385441875.db2.gz LQVSZODMKKPARH-SNVBAGLBSA-N 1 2 244.254 2.417 20 5 BEBDLO C[C@H]([NH2+]Cc1ccon1)c1ccc([N+](=O)[O-])cc1 ZINC000094259811 386989241 /nfs/dbraw/zinc/98/92/41/386989241.db2.gz MJMHXNVMRSOWJZ-VIFPVBQESA-N 1 2 247.254 2.434 20 5 BEBDLO C[C@H]([NH2+]Cc1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000088750578 387723007 /nfs/dbraw/zinc/72/30/07/387723007.db2.gz QBIIHLJNAXDOQO-VIFPVBQESA-N 1 2 246.270 2.169 20 5 BEBDLO Cc1cn(Cc2ccc(C)[nH+]c2C)nc1[N+](=O)[O-] ZINC000330407955 388756811 /nfs/dbraw/zinc/75/68/11/388756811.db2.gz HDKMNARGDUJMRM-UHFFFAOYSA-N 1 2 246.270 2.160 20 5 BEBDLO Cc1cc(N2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000288821322 132307367 /nfs/dbraw/zinc/30/73/67/132307367.db2.gz AUCYVTVBRHZSSQ-UHFFFAOYSA-N 1 2 221.260 2.008 20 5 BEBDLO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)no1 ZINC000044692478 398129634 /nfs/dbraw/zinc/12/96/34/398129634.db2.gz ZZBJGXDMHCEPIM-UHFFFAOYSA-N 1 2 247.254 2.181 20 5 BEBDLO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000041014867 175897566 /nfs/dbraw/zinc/89/75/66/175897566.db2.gz LHPWASGXTVWEOB-SECBINFHSA-N 1 2 246.270 2.169 20 5 BEBDLO Cc1ccc(N(C)Cc2[nH]cc[nH+]2)c([N+](=O)[O-])c1 ZINC000754058767 585276958 /nfs/dbraw/zinc/27/69/58/585276958.db2.gz ZNRNQSGTCWXBAS-UHFFFAOYSA-N 1 2 246.270 2.263 20 5 BEBDLO O=[N+]([O-])CC[NH2+]Cc1c(Cl)cccc1Cl ZINC000905039129 637560064 /nfs/dbraw/zinc/56/00/64/637560064.db2.gz RSRJIHLEVYXFIP-UHFFFAOYSA-N 1 2 249.097 2.360 20 5 BEBDLO O=[N+]([O-])c1ccc(Cl)cc1Cn1cc[nH+]c1 ZINC000093097681 644677605 /nfs/dbraw/zinc/67/76/05/644677605.db2.gz YFRYTQUNVOIIGF-UHFFFAOYSA-N 1 2 237.646 2.493 20 5 BEBDLO CC(C)(C)C(=[NH2+])Nc1ccc([N+](=O)[O-])c(N)n1 ZINC001155179541 968914220 /nfs/dbraw/zinc/91/42/20/968914220.db2.gz AEWGMCGOSXHVMI-UHFFFAOYSA-N 1 2 237.263 2.007 20 5 BEBDLO O=[N+]([O-])c1c2ccncc2ccc1-n1cc[nH+]c1 ZINC001306917337 995274980 /nfs/dbraw/zinc/27/49/80/995274980.db2.gz PAQLTFZMSCXOFN-UHFFFAOYSA-N 1 2 240.222 2.329 20 5 BEBDLO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000334238732 343840754 /nfs/dbraw/zinc/84/07/54/343840754.db2.gz KBUHSYAZJJFKRQ-JGVFFNPUSA-N 1 2 226.301 2.497 20 5 BEBDLO C[C@@H]1[C@@H](C)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000334238732 343840757 /nfs/dbraw/zinc/84/07/57/343840757.db2.gz KBUHSYAZJJFKRQ-JGVFFNPUSA-N 1 2 226.301 2.497 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000611271848 344439858 /nfs/dbraw/zinc/43/98/58/344439858.db2.gz FCGOPTJDNSGQLN-SKDRFNHKSA-N 1 2 248.282 2.285 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000611271848 344439859 /nfs/dbraw/zinc/43/98/59/344439859.db2.gz FCGOPTJDNSGQLN-SKDRFNHKSA-N 1 2 248.282 2.285 20 5 BEBDLO COCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599013243 349082197 /nfs/dbraw/zinc/08/21/97/349082197.db2.gz FWXHXVXUKXHRQR-UHFFFAOYSA-N 1 2 247.254 2.201 20 5 BEBDLO Cc1nc(NCc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000054936438 180203051 /nfs/dbraw/zinc/20/30/51/180203051.db2.gz IJCYTDMRQNQNOL-UHFFFAOYSA-N 1 2 244.254 2.305 20 5 BEBDLO CCc1[nH+]ccn1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000436474524 201329058 /nfs/dbraw/zinc/32/90/58/201329058.db2.gz LPPYAZKCJHQERA-UHFFFAOYSA-N 1 2 247.254 2.108 20 5 BEBDLO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(F)F ZINC000459551396 203298747 /nfs/dbraw/zinc/29/87/47/203298747.db2.gz VVKJPALFEIELCE-MRVPVSSYSA-N 1 2 244.241 2.381 20 5 BEBDLO C[C@@H](Nc1ccccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000157199885 371535297 /nfs/dbraw/zinc/53/52/97/371535297.db2.gz SAOOEDYNNZASQQ-MRVPVSSYSA-N 1 2 232.243 2.491 20 5 BEBDLO CC(C)(Nc1ccc([N+](=O)[O-])nc1)c1[nH]cc[nH+]1 ZINC000603405666 371891136 /nfs/dbraw/zinc/89/11/36/371891136.db2.gz CGRNSDXAXDJRGG-UHFFFAOYSA-N 1 2 247.258 2.060 20 5 BEBDLO C[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CC1 ZINC000338925591 383865693 /nfs/dbraw/zinc/86/56/93/383865693.db2.gz BCNSDVYPKWUOPS-UHFFFAOYSA-N 1 2 236.271 2.142 20 5 BEBDLO C[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CC1 ZINC000338925591 383865699 /nfs/dbraw/zinc/86/56/99/383865699.db2.gz BCNSDVYPKWUOPS-UHFFFAOYSA-N 1 2 236.271 2.142 20 5 BEBDLO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1 ZINC000336222732 384163592 /nfs/dbraw/zinc/16/35/92/384163592.db2.gz GABAJMALYIVIGB-SNVBAGLBSA-N 1 2 224.235 2.139 20 5 BEBDLO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](F)C2)cc1 ZINC000336222732 384163599 /nfs/dbraw/zinc/16/35/99/384163599.db2.gz GABAJMALYIVIGB-SNVBAGLBSA-N 1 2 224.235 2.139 20 5 BEBDLO O=[N+]([O-])c1cc(F)c(C[NH+]2CCCC2)c(F)c1 ZINC000286119130 384242685 /nfs/dbraw/zinc/24/26/85/384242685.db2.gz VUYZYVHOTVSEPU-UHFFFAOYSA-N 1 2 242.225 2.469 20 5 BEBDLO Cc1ccc(OCc2c[nH+]cn2C)cc1[N+](=O)[O-] ZINC000270143918 387516557 /nfs/dbraw/zinc/51/65/57/387516557.db2.gz VLMBMSXHHLDTHT-UHFFFAOYSA-N 1 2 247.254 2.216 20 5 BEBDLO C[C@H]1C[C@H](C)[NH+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549613732 388395757 /nfs/dbraw/zinc/39/57/57/388395757.db2.gz OBAIGQSYQSGPMW-IUCAKERBSA-N 1 2 236.271 2.283 20 5 BEBDLO O=[N+]([O-])c1ccc(COCc2[nH]cc[nH+]2)cc1 ZINC000123717327 388734926 /nfs/dbraw/zinc/73/49/26/388734926.db2.gz PDUYQHVJZKRQPQ-UHFFFAOYSA-N 1 2 233.227 2.035 20 5 BEBDLO Cc1ncc([N+](=O)[O-])n1Cc1ccc(C)[nH+]c1C ZINC000331088387 388764214 /nfs/dbraw/zinc/76/42/14/388764214.db2.gz RURVMWLCDJVWDH-UHFFFAOYSA-N 1 2 246.270 2.160 20 5 BEBDLO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000168867747 177263068 /nfs/dbraw/zinc/26/30/68/177263068.db2.gz VLSJQCWTXAQFIP-JTQLQIEISA-N 1 2 248.282 2.006 20 5 BEBDLO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000168867747 177263069 /nfs/dbraw/zinc/26/30/69/177263069.db2.gz VLSJQCWTXAQFIP-JTQLQIEISA-N 1 2 248.282 2.006 20 5 BEBDLO Cc1c(C[NH2+]C(CF)CF)cccc1[N+](=O)[O-] ZINC000873129131 589985826 /nfs/dbraw/zinc/98/58/26/589985826.db2.gz JEHZWDKAZOCQGC-UHFFFAOYSA-N 1 2 244.241 2.300 20 5 BEBDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCF)c1 ZINC000308806645 631667309 /nfs/dbraw/zinc/66/73/09/631667309.db2.gz OULVIABEVKZJQJ-UHFFFAOYSA-N 1 2 232.642 2.307 20 5 BEBDLO C[C@@H]([NH2+]Cc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000080582015 644277213 /nfs/dbraw/zinc/27/72/13/644277213.db2.gz TUKMHCPYAJBSKU-SECBINFHSA-N 1 2 246.270 2.169 20 5 BEBDLO C[C@H](c1ccco1)[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000930024538 646398762 /nfs/dbraw/zinc/39/87/62/646398762.db2.gz TZMXRFZDUGVNFZ-SECBINFHSA-N 1 2 224.260 2.082 20 5 BEBDLO C[C@H](c1ccco1)[N@@H+](CC[N+](=O)[O-])C1CC1 ZINC000930024538 646398766 /nfs/dbraw/zinc/39/87/66/646398766.db2.gz TZMXRFZDUGVNFZ-SECBINFHSA-N 1 2 224.260 2.082 20 5 BEBDLO CC(C)(C)C(=[NH2+])Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001155180262 963006661 /nfs/dbraw/zinc/00/66/61/963006661.db2.gz OGHHRONNAQNRDH-UHFFFAOYSA-N 1 2 237.263 2.007 20 5 BEBDLO Cc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])no1 ZINC000044692481 178026820 /nfs/dbraw/zinc/02/68/20/178026820.db2.gz YKWNEZDPXGFIQI-UHFFFAOYSA-N 1 2 247.254 2.181 20 5 BEBDLO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000334238735 343842922 /nfs/dbraw/zinc/84/29/22/343842922.db2.gz KBUHSYAZJJFKRQ-YUMQZZPRSA-N 1 2 226.301 2.497 20 5 BEBDLO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000334238735 343842925 /nfs/dbraw/zinc/84/29/25/343842925.db2.gz KBUHSYAZJJFKRQ-YUMQZZPRSA-N 1 2 226.301 2.497 20 5 BEBDLO CC(C)C[N@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338935841 344593458 /nfs/dbraw/zinc/59/34/58/344593458.db2.gz YRMXAFFSTSGJDR-UHFFFAOYSA-N 1 2 238.287 2.388 20 5 BEBDLO CC(C)C[N@@H+](C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338935841 344593461 /nfs/dbraw/zinc/59/34/61/344593461.db2.gz YRMXAFFSTSGJDR-UHFFFAOYSA-N 1 2 238.287 2.388 20 5 BEBDLO Cc1cccc(NCc2[nH+]ccn2C)c1[N+](=O)[O-] ZINC000218849827 179152212 /nfs/dbraw/zinc/15/22/12/179152212.db2.gz UVVMTXCKUKOPII-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO Cc1cnc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000231787811 351341535 /nfs/dbraw/zinc/34/15/35/351341535.db2.gz CGINLGQUAKHFQK-UHFFFAOYSA-N 1 2 247.254 2.181 20 5 BEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CC(F)C3)c2c1 ZINC000413238978 191363858 /nfs/dbraw/zinc/36/38/58/191363858.db2.gz SPFWLEGNQMOJDK-UHFFFAOYSA-N 1 2 247.229 2.301 20 5 BEBDLO CC(=O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602782603 371840948 /nfs/dbraw/zinc/84/09/48/371840948.db2.gz IGOYHXIYJLLIEN-UHFFFAOYSA-N 1 2 248.282 2.148 20 5 BEBDLO CC(=O)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602782603 371840952 /nfs/dbraw/zinc/84/09/52/371840952.db2.gz IGOYHXIYJLLIEN-UHFFFAOYSA-N 1 2 248.282 2.148 20 5 BEBDLO CC(C)(Nc1ncccc1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000603407169 371890770 /nfs/dbraw/zinc/89/07/70/371890770.db2.gz PDPXPXYGFYSZHQ-UHFFFAOYSA-N 1 2 247.258 2.060 20 5 BEBDLO C[C@@H]([NH2+]Cc1ccon1)c1cccc([N+](=O)[O-])c1 ZINC000129038665 385708055 /nfs/dbraw/zinc/70/80/55/385708055.db2.gz UMSUGHGPIVIEDS-SECBINFHSA-N 1 2 247.254 2.434 20 5 BEBDLO Cc1ccc(NCc2[nH+]ccn2C)c([N+](=O)[O-])c1 ZINC000051922482 385841900 /nfs/dbraw/zinc/84/19/00/385841900.db2.gz GSYQBKNJYPSZBC-UHFFFAOYSA-N 1 2 246.270 2.249 20 5 BEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](F)C2)c1 ZINC000336222928 387063897 /nfs/dbraw/zinc/06/38/97/387063897.db2.gz WHYIWPZCUYIBHL-SNVBAGLBSA-N 1 2 224.235 2.139 20 5 BEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](F)C2)c1 ZINC000336222928 387063899 /nfs/dbraw/zinc/06/38/99/387063899.db2.gz WHYIWPZCUYIBHL-SNVBAGLBSA-N 1 2 224.235 2.139 20 5 BEBDLO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000139015283 388259561 /nfs/dbraw/zinc/25/95/61/388259561.db2.gz IKNLEZHHCFCPPQ-VIFPVBQESA-N 1 2 246.270 2.169 20 5 BEBDLO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(F)F ZINC000459551397 388362959 /nfs/dbraw/zinc/36/29/59/388362959.db2.gz VVKJPALFEIELCE-QMMMGPOBSA-N 1 2 244.241 2.381 20 5 BEBDLO O=[N+]([O-])c1cc(F)c(-n2cc[nH+]c2)c(F)c1 ZINC000142109088 388411830 /nfs/dbraw/zinc/41/18/30/388411830.db2.gz FWZRYGQQBFJTPI-UHFFFAOYSA-N 1 2 225.154 2.059 20 5 BEBDLO Cc1ccc([N+](=O)[O-])c(N(C)Cc2[nH]cc[nH+]2)c1 ZINC000428132374 388719972 /nfs/dbraw/zinc/71/99/72/388719972.db2.gz SKWHIGYVBQFQIX-UHFFFAOYSA-N 1 2 246.270 2.263 20 5 BEBDLO CCn1cc[nH+]c1CNc1ccc([N+](=O)[O-])cc1 ZINC000051922508 172226237 /nfs/dbraw/zinc/22/62/37/172226237.db2.gz FNTCEDAFKVABLS-UHFFFAOYSA-N 1 2 246.270 2.423 20 5 BEBDLO C[N@@H+](Cc1ccco1)Cc1cccnc1[N+](=O)[O-] ZINC000885933085 592109585 /nfs/dbraw/zinc/10/95/85/592109585.db2.gz JBQGHRPEIDOMLI-UHFFFAOYSA-N 1 2 247.254 2.215 20 5 BEBDLO C[N@H+](Cc1ccco1)Cc1cccnc1[N+](=O)[O-] ZINC000885933085 592109584 /nfs/dbraw/zinc/10/95/84/592109584.db2.gz JBQGHRPEIDOMLI-UHFFFAOYSA-N 1 2 247.254 2.215 20 5 BEBDLO C[N@H+](CCCF)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000887141093 592454518 /nfs/dbraw/zinc/45/45/18/592454518.db2.gz FVJDZLBBOGGGCJ-UHFFFAOYSA-N 1 2 242.250 2.092 20 5 BEBDLO C[N@@H+](CCCF)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000887141093 592454521 /nfs/dbraw/zinc/45/45/21/592454521.db2.gz FVJDZLBBOGGGCJ-UHFFFAOYSA-N 1 2 242.250 2.092 20 5 BEBDLO CC1(C)C[N@H+](CC[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000930492844 639781933 /nfs/dbraw/zinc/78/19/33/639781933.db2.gz KEFYRWKDWHMJOF-SNVBAGLBSA-N 1 2 240.328 2.408 20 5 BEBDLO CC1(C)C[N@@H+](CC[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000930492844 639781939 /nfs/dbraw/zinc/78/19/39/639781939.db2.gz KEFYRWKDWHMJOF-SNVBAGLBSA-N 1 2 240.328 2.408 20 5 BEBDLO C[C@@H]([NH2+]Cc1ccon1)c1ccc([N+](=O)[O-])cc1 ZINC000094259812 711748401 /nfs/dbraw/zinc/74/84/01/711748401.db2.gz MJMHXNVMRSOWJZ-SECBINFHSA-N 1 2 247.254 2.434 20 5 BEBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCC(F)(F)C2)C1 ZINC001169008277 969333772 /nfs/dbraw/zinc/33/37/72/969333772.db2.gz SPVICJYDJDFDIZ-VHSXEESVSA-N 1 2 248.273 2.163 20 5 BEBDLO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCCC(F)(F)C2)C1 ZINC001169008277 969333779 /nfs/dbraw/zinc/33/37/79/969333779.db2.gz SPVICJYDJDFDIZ-VHSXEESVSA-N 1 2 248.273 2.163 20 5 BEBDLO Cn1cc[nH+]c1CNc1sccc1[N+](=O)[O-] ZINC000309597841 342731246 /nfs/dbraw/zinc/73/12/46/342731246.db2.gz VHQMLMCSVZNDIB-UHFFFAOYSA-N 1 2 238.272 2.002 20 5 BEBDLO Cc1noc(C[N@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000595392221 348236802 /nfs/dbraw/zinc/23/68/02/348236802.db2.gz HKVAOHUPYUEKSY-UHFFFAOYSA-N 1 2 237.259 2.043 20 5 BEBDLO Cc1noc(C[N@@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000595392221 348236804 /nfs/dbraw/zinc/23/68/04/348236804.db2.gz HKVAOHUPYUEKSY-UHFFFAOYSA-N 1 2 237.259 2.043 20 5 BEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](F)C1 ZINC000595513914 348267152 /nfs/dbraw/zinc/26/71/52/348267152.db2.gz HTHJRLWFYAMQIW-JTQLQIEISA-N 1 2 242.225 2.278 20 5 BEBDLO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](F)C1 ZINC000595513914 348267154 /nfs/dbraw/zinc/26/71/54/348267154.db2.gz HTHJRLWFYAMQIW-JTQLQIEISA-N 1 2 242.225 2.278 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595807794 348348965 /nfs/dbraw/zinc/34/89/65/348348965.db2.gz AORAGGZSLBGASI-NXEZZACHSA-N 1 2 248.282 2.142 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595807794 348348967 /nfs/dbraw/zinc/34/89/67/348348967.db2.gz AORAGGZSLBGASI-NXEZZACHSA-N 1 2 248.282 2.142 20 5 BEBDLO CN(Cc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])s1 ZINC000617451001 351367527 /nfs/dbraw/zinc/36/75/27/351367527.db2.gz BGHHEWQTXFOCFR-UHFFFAOYSA-N 1 2 238.272 2.016 20 5 BEBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349241491 368143435 /nfs/dbraw/zinc/14/34/35/368143435.db2.gz NRIPTEODZBJDMD-SECBINFHSA-N 1 2 247.254 2.434 20 5 BEBDLO Cc1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000084726802 135474917 /nfs/dbraw/zinc/47/49/17/135474917.db2.gz FKNCKSGHJFLNCS-UHFFFAOYSA-N 1 2 203.201 2.089 20 5 BEBDLO CC1=CC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330455539 168115688 /nfs/dbraw/zinc/11/56/88/168115688.db2.gz OIPWEOVVDUVEMU-UHFFFAOYSA-N 1 2 248.282 2.452 20 5 BEBDLO CC1=CC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330455539 168115689 /nfs/dbraw/zinc/11/56/89/168115689.db2.gz OIPWEOVVDUVEMU-UHFFFAOYSA-N 1 2 248.282 2.452 20 5 BEBDLO O=[N+]([O-])CC[N@H+](Cc1ccccc1F)C1CC1 ZINC000791052825 585972753 /nfs/dbraw/zinc/97/27/53/585972753.db2.gz FPSMFCCHOUYSTO-UHFFFAOYSA-N 1 2 238.262 2.067 20 5 BEBDLO O=[N+]([O-])CC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000791052825 585972754 /nfs/dbraw/zinc/97/27/54/585972754.db2.gz FPSMFCCHOUYSTO-UHFFFAOYSA-N 1 2 238.262 2.067 20 5 BEBDLO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ncco1 ZINC000886275859 592195382 /nfs/dbraw/zinc/19/53/82/592195382.db2.gz OSGBQVVSNGJJRR-VIFPVBQESA-N 1 2 247.254 2.434 20 5 BEBDLO Cc1ncoc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000894188365 635744887 /nfs/dbraw/zinc/74/48/87/635744887.db2.gz WRSSYWVQAHZRAR-UHFFFAOYSA-N 1 2 247.254 2.181 20 5 BEBDLO C[C@H]([NH2+]CC[N+](=O)[O-])c1c(F)cccc1Cl ZINC000309363746 633901376 /nfs/dbraw/zinc/90/13/76/633901376.db2.gz AWFSZCQXVXTJAF-ZETCQYMHSA-N 1 2 246.669 2.406 20 5 BEBDLO C[C@@H](c1ccco1)[N@H+](CC[N+](=O)[O-])C1CC1 ZINC000930024540 646399751 /nfs/dbraw/zinc/39/97/51/646399751.db2.gz TZMXRFZDUGVNFZ-VIFPVBQESA-N 1 2 224.260 2.082 20 5 BEBDLO C[C@@H](c1ccco1)[N@@H+](CC[N+](=O)[O-])C1CC1 ZINC000930024540 646399753 /nfs/dbraw/zinc/39/97/53/646399753.db2.gz TZMXRFZDUGVNFZ-VIFPVBQESA-N 1 2 224.260 2.082 20 5 BEBDLO C[N@H+](CC[N+](=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC001354707880 983347878 /nfs/dbraw/zinc/34/78/78/983347878.db2.gz BJJMRYWNKAIBCJ-UHFFFAOYSA-N 1 2 246.669 2.188 20 5 BEBDLO C[N@@H+](CC[N+](=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC001354707880 983347886 /nfs/dbraw/zinc/34/78/86/983347886.db2.gz BJJMRYWNKAIBCJ-UHFFFAOYSA-N 1 2 246.669 2.188 20 5 BEBDLO Cc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])on1 ZINC000044986115 178027245 /nfs/dbraw/zinc/02/72/45/178027245.db2.gz KTGPJJJMJPEDOQ-UHFFFAOYSA-N 1 2 247.254 2.181 20 5 BEBDLO Cc1cc(NCc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000040727261 178172507 /nfs/dbraw/zinc/17/25/07/178172507.db2.gz CTBPNQGVGYZDTM-UHFFFAOYSA-N 1 2 244.254 2.305 20 5 BEBDLO CC(F)(F)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000378806423 345575636 /nfs/dbraw/zinc/57/56/36/345575636.db2.gz YGTZYXZLESTFKQ-UHFFFAOYSA-N 1 2 230.214 2.340 20 5 BEBDLO Cc1c(C[NH2+]Cc2ccon2)cccc1[N+](=O)[O-] ZINC000148874105 346473520 /nfs/dbraw/zinc/47/35/20/346473520.db2.gz LGTNKFIKJJKXBX-UHFFFAOYSA-N 1 2 247.254 2.181 20 5 BEBDLO Cc1nn(Cc2ccc[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000589254055 346678013 /nfs/dbraw/zinc/67/80/13/346678013.db2.gz UYXABIWSDQVRKG-UHFFFAOYSA-N 1 2 246.270 2.160 20 5 BEBDLO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)F ZINC000228512261 360475739 /nfs/dbraw/zinc/47/57/39/360475739.db2.gz KAJCYSREEUVRJA-ZETCQYMHSA-N 1 2 230.214 2.338 20 5 BEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](F)C1 ZINC000336222956 384163153 /nfs/dbraw/zinc/16/31/53/384163153.db2.gz XXZOPTMIGLLRNS-SNVBAGLBSA-N 1 2 224.235 2.139 20 5 BEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](F)C1 ZINC000336222956 384163156 /nfs/dbraw/zinc/16/31/56/384163156.db2.gz XXZOPTMIGLLRNS-SNVBAGLBSA-N 1 2 224.235 2.139 20 5 BEBDLO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](F)C1 ZINC000336222955 384163533 /nfs/dbraw/zinc/16/35/33/384163533.db2.gz XXZOPTMIGLLRNS-JTQLQIEISA-N 1 2 224.235 2.139 20 5 BEBDLO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](F)C1 ZINC000336222955 384163538 /nfs/dbraw/zinc/16/35/38/384163538.db2.gz XXZOPTMIGLLRNS-JTQLQIEISA-N 1 2 224.235 2.139 20 5 BEBDLO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](F)C2)c1 ZINC000336222927 384166700 /nfs/dbraw/zinc/16/67/00/384166700.db2.gz WHYIWPZCUYIBHL-JTQLQIEISA-N 1 2 224.235 2.139 20 5 BEBDLO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](F)C2)c1 ZINC000336222927 384166702 /nfs/dbraw/zinc/16/67/02/384166702.db2.gz WHYIWPZCUYIBHL-JTQLQIEISA-N 1 2 224.235 2.139 20 5 BEBDLO Cc1cc(-n2cc[nH+]c2)c(F)cc1[N+](=O)[O-] ZINC000335565413 384304933 /nfs/dbraw/zinc/30/49/33/384304933.db2.gz VTFFVXHNLLOENA-UHFFFAOYSA-N 1 2 221.191 2.228 20 5 BEBDLO C[C@@H]([NH2+]Cc1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000049715535 384559633 /nfs/dbraw/zinc/55/96/33/384559633.db2.gz JKDRDKNEVMOYFZ-SECBINFHSA-N 1 2 246.270 2.169 20 5 BEBDLO C[C@H]([NH2+]Cc1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000049715534 384561489 /nfs/dbraw/zinc/56/14/89/384561489.db2.gz JKDRDKNEVMOYFZ-VIFPVBQESA-N 1 2 246.270 2.169 20 5 BEBDLO C[C@@H]([NH2+]Cc1cnc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000088750579 387722538 /nfs/dbraw/zinc/72/25/38/387722538.db2.gz QBIIHLJNAXDOQO-SECBINFHSA-N 1 2 246.270 2.169 20 5 BEBDLO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549613731 388395975 /nfs/dbraw/zinc/39/59/75/388395975.db2.gz OBAIGQSYQSGPMW-DTORHVGOSA-N 1 2 236.271 2.283 20 5 BEBDLO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000549613731 388395978 /nfs/dbraw/zinc/39/59/78/388395978.db2.gz OBAIGQSYQSGPMW-DTORHVGOSA-N 1 2 236.271 2.283 20 5 BEBDLO CCOc1cc(-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000111551583 170515122 /nfs/dbraw/zinc/51/51/22/170515122.db2.gz FPWOFWDAUPNKJF-UHFFFAOYSA-N 1 2 233.227 2.179 20 5 BEBDLO Cc1c[nH+]c(CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000572119653 323542366 /nfs/dbraw/zinc/54/23/66/323542366.db2.gz PAEAJNFGFAZWGQ-UHFFFAOYSA-N 1 2 246.270 2.046 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH2+]C1(C2CC2)CC1 ZINC000549543387 325506975 /nfs/dbraw/zinc/50/69/75/325506975.db2.gz HRTVEUSLMMDQAD-UHFFFAOYSA-N 1 2 248.282 2.333 20 5 BEBDLO O=[N+]([O-])c1cccc2c1CC[C@@H]2Nc1c[nH]c[nH+]1 ZINC000573106577 326430048 /nfs/dbraw/zinc/43/00/48/326430048.db2.gz LQVSZODMKKPARH-JTQLQIEISA-N 1 2 244.254 2.417 20 5 BEBDLO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000334238734 343842940 /nfs/dbraw/zinc/84/29/40/343842940.db2.gz KBUHSYAZJJFKRQ-SFYZADRCSA-N 1 2 226.301 2.497 20 5 BEBDLO C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000334238734 343842942 /nfs/dbraw/zinc/84/29/42/343842942.db2.gz KBUHSYAZJJFKRQ-SFYZADRCSA-N 1 2 226.301 2.497 20 5 BEBDLO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1[nH]cc[nH+]1 ZINC000139852045 343956337 /nfs/dbraw/zinc/95/63/37/343956337.db2.gz VZCPZPGPNJNTPU-MRVPVSSYSA-N 1 2 247.258 2.194 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC12CCC2 ZINC000611273900 344443657 /nfs/dbraw/zinc/44/36/57/344443657.db2.gz QMJPERQXBVSHDF-UHFFFAOYSA-N 1 2 248.282 2.429 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC12CCC2 ZINC000611273900 344443659 /nfs/dbraw/zinc/44/36/59/344443659.db2.gz QMJPERQXBVSHDF-UHFFFAOYSA-N 1 2 248.282 2.429 20 5 BEBDLO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC=CCC1 ZINC000611517306 344748456 /nfs/dbraw/zinc/74/84/56/344748456.db2.gz PMMGDHXWWXAUPI-UHFFFAOYSA-N 1 2 236.246 2.496 20 5 BEBDLO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC=CCC1 ZINC000611517306 344748457 /nfs/dbraw/zinc/74/84/57/344748457.db2.gz PMMGDHXWWXAUPI-UHFFFAOYSA-N 1 2 236.246 2.496 20 5 BEBDLO Cc1ccc(NCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000041120013 178759399 /nfs/dbraw/zinc/75/93/99/178759399.db2.gz YNSAOXGABSEYQQ-UHFFFAOYSA-N 1 2 246.270 2.212 20 5 BEBDLO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cocn1 ZINC000612580287 344907030 /nfs/dbraw/zinc/90/70/30/344907030.db2.gz JXOZBMPYYKBOSF-UHFFFAOYSA-N 1 2 247.254 2.181 20 5 BEBDLO Cc1cccc([N+](=O)[O-])c1NCCn1cc[nH+]c1 ZINC000155098171 179206717 /nfs/dbraw/zinc/20/67/17/179206717.db2.gz JMXBVEQCRPVCLG-UHFFFAOYSA-N 1 2 246.270 2.212 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+](C1CC1)C1CC1 ZINC000599600195 349232073 /nfs/dbraw/zinc/23/20/73/349232073.db2.gz POUAHGULDIATBE-UHFFFAOYSA-N 1 2 248.282 2.427 20 5 BEBDLO O=[N+]([O-])c1ccc(NCCCn2cc[nH+]c2)cc1 ZINC000020298796 349328839 /nfs/dbraw/zinc/32/88/39/349328839.db2.gz BFAHJWIYBOERGS-UHFFFAOYSA-N 1 2 246.270 2.294 20 5 BEBDLO O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC3)c2c1 ZINC000413041785 191350032 /nfs/dbraw/zinc/35/00/32/191350032.db2.gz LERIKISRUNWTNX-UHFFFAOYSA-N 1 2 229.239 2.353 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1C2CCC1CC2 ZINC000581084139 367260763 /nfs/dbraw/zinc/26/07/63/367260763.db2.gz CIFHEEADSPAQEE-UHFFFAOYSA-N 1 2 248.282 2.427 20 5 BEBDLO CC[C@H](Nc1ccc([N+](=O)[O-])nc1)c1[nH]cc[nH+]1 ZINC000139778796 368154683 /nfs/dbraw/zinc/15/46/83/368154683.db2.gz HCJSAABCWBWMOX-VIFPVBQESA-N 1 2 247.258 2.276 20 5 BEBDLO Nc1ccc(CNc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000302657357 181707030 /nfs/dbraw/zinc/70/70/30/181707030.db2.gz AKMNROJGOBVPRF-UHFFFAOYSA-N 1 2 244.254 2.184 20 5 BEBDLO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000171618051 372710801 /nfs/dbraw/zinc/71/08/01/372710801.db2.gz BROLTXOEARVWME-UHFFFAOYSA-N 1 2 224.235 2.328 20 5 BEBDLO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000171618051 372710802 /nfs/dbraw/zinc/71/08/02/372710802.db2.gz BROLTXOEARVWME-UHFFFAOYSA-N 1 2 224.235 2.328 20 5 BEBDLO O=[N+]([O-])c1ccc(Cn2cc[nH+]c2)c(Cl)c1 ZINC000104291805 384668100 /nfs/dbraw/zinc/66/81/00/384668100.db2.gz BBKQRTBYEIDUFY-UHFFFAOYSA-N 1 2 237.646 2.493 20 5 BEBDLO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000139015407 388259565 /nfs/dbraw/zinc/25/95/65/388259565.db2.gz IKNLEZHHCFCPPQ-SECBINFHSA-N 1 2 246.270 2.169 20 5 BEBDLO C[C@H]([NH2+]Cc1c[nH]cn1)c1cccc([N+](=O)[O-])c1 ZINC000054765050 388584655 /nfs/dbraw/zinc/58/46/55/388584655.db2.gz NMWFLACWFOKWGT-VIFPVBQESA-N 1 2 246.270 2.169 20 5 BEBDLO O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCCCC1 ZINC000092106824 411181829 /nfs/dbraw/zinc/18/18/29/411181829.db2.gz NGOPTECSNKZITN-UHFFFAOYSA-N 1 2 236.271 2.286 20 5 BEBDLO CC[C@@H]1CC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000332045961 171025838 /nfs/dbraw/zinc/02/58/38/171025838.db2.gz YXMRBNPRFKYLEV-SNVBAGLBSA-N 1 2 236.271 2.285 20 5 BEBDLO CC[C@@H]1CC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000332045961 171025840 /nfs/dbraw/zinc/02/58/40/171025840.db2.gz YXMRBNPRFKYLEV-SNVBAGLBSA-N 1 2 236.271 2.285 20 5 BEBDLO C[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330446617 176109029 /nfs/dbraw/zinc/10/90/29/176109029.db2.gz DYNJMESOIBECMN-SECBINFHSA-N 1 2 236.271 2.285 20 5 BEBDLO C[C@@H]1CCC[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000330446617 176109030 /nfs/dbraw/zinc/10/90/30/176109030.db2.gz DYNJMESOIBECMN-SECBINFHSA-N 1 2 236.271 2.285 20 5 BEBDLO O=[N+]([O-])c1cc2ccccc2nc1-n1cc[nH+]c1 ZINC000788834712 585931232 /nfs/dbraw/zinc/93/12/32/585931232.db2.gz XRDZKNLFGNYFCL-UHFFFAOYSA-N 1 2 240.222 2.329 20 5 BEBDLO Nc1ccc(/C=C\c2ccc([N+](=O)[O-])cn2)c[nH+]1 ZINC000821037978 587089834 /nfs/dbraw/zinc/08/98/34/587089834.db2.gz FTCSGDSSQVXQIA-IWQZZHSRSA-N 1 2 242.238 2.137 20 5 BEBDLO C[C@H]([NH2+]CCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872070443 589864242 /nfs/dbraw/zinc/86/42/42/589864242.db2.gz ZVTPVAFFLPCQGW-ZETCQYMHSA-N 1 2 230.214 2.354 20 5 BEBDLO O=[N+]([O-])c1ccc(Cl)c(Cn2cc[nH+]c2)c1 ZINC000037403841 712603691 /nfs/dbraw/zinc/60/36/91/712603691.db2.gz BOJRFMLDDOSXDT-UHFFFAOYSA-N 1 2 237.646 2.493 20 5 BEBDLO