smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(-c2nnn[n-]2)c1 ZINC000542337996 944638158 /nfs/dbraw/zinc/63/81/58/944638158.db2.gz PAEAQRCRUBLKSU-UHFFFAOYSA-N -1 3 390.812 3.159 20 5 GGBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(-c2nn[n-]n2)c1 ZINC000542337996 944638165 /nfs/dbraw/zinc/63/81/65/944638165.db2.gz PAEAQRCRUBLKSU-UHFFFAOYSA-N -1 3 390.812 3.159 20 5 GGBDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1 ZINC000825609492 947257536 /nfs/dbraw/zinc/25/75/36/947257536.db2.gz NRZBCRKRJZPBHL-ZRDIBKRKSA-N -1 3 395.375 3.183 20 5 GGBDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1 ZINC000825609492 947257548 /nfs/dbraw/zinc/25/75/48/947257548.db2.gz NRZBCRKRJZPBHL-ZRDIBKRKSA-N -1 3 395.375 3.183 20 5 GGBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001575508970 949108311 /nfs/dbraw/zinc/10/83/11/949108311.db2.gz AIAVHYPTKDTAKU-JTQLQIEISA-N -1 3 386.799 3.262 20 5 GGBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001575508970 949108322 /nfs/dbraw/zinc/10/83/22/949108322.db2.gz AIAVHYPTKDTAKU-JTQLQIEISA-N -1 3 386.799 3.262 20 5 GGBDHM CC(C)(C)O[C@H]1C[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC001573863367 950478120 /nfs/dbraw/zinc/47/81/20/950478120.db2.gz FJHAISKXIZTJKU-GJZGRUSLSA-N -1 3 390.419 3.452 20 5 GGBDHM CC(C)(C)O[C@H]1C[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC001573863367 950478136 /nfs/dbraw/zinc/47/81/36/950478136.db2.gz FJHAISKXIZTJKU-GJZGRUSLSA-N -1 3 390.419 3.452 20 5 GGBDHM C[C@@H]1CCc2ccccc2N1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001576214793 950682710 /nfs/dbraw/zinc/68/27/10/950682710.db2.gz CFYTZYCQIHEMSR-CYBMUJFWSA-N -1 3 379.424 3.028 20 5 GGBDHM C[C@@H]1CCc2ccccc2N1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001576214793 950682719 /nfs/dbraw/zinc/68/27/19/950682719.db2.gz CFYTZYCQIHEMSR-CYBMUJFWSA-N -1 3 379.424 3.028 20 5 GGBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001573887979 950860797 /nfs/dbraw/zinc/86/07/97/950860797.db2.gz MDGPJNFQJADOLF-HUUCEWRRSA-N -1 3 395.423 3.074 20 5 GGBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001573887979 950860821 /nfs/dbraw/zinc/86/08/21/950860821.db2.gz MDGPJNFQJADOLF-HUUCEWRRSA-N -1 3 395.423 3.074 20 5 GGBDHM C[C@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC001575121980 952000538 /nfs/dbraw/zinc/00/05/38/952000538.db2.gz ITQDMOPJIMMXPJ-SECBINFHSA-N -1 3 392.778 3.447 20 5 GGBDHM C[C@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC001575121980 952000548 /nfs/dbraw/zinc/00/05/48/952000548.db2.gz ITQDMOPJIMMXPJ-SECBINFHSA-N -1 3 392.778 3.447 20 5 GGBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000568074575 953642842 /nfs/dbraw/zinc/64/28/42/953642842.db2.gz MQRHOYOSBFBUAL-DJJJIMSYSA-N -1 3 380.441 3.325 20 5 GGBDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001593755329 954447097 /nfs/dbraw/zinc/44/70/97/954447097.db2.gz HKIBCLYEQJVCTL-INIZCTEOSA-N -1 3 387.436 3.163 20 5 GGBDHM C[C@](NCc1ccc(Br)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC001589128158 956175976 /nfs/dbraw/zinc/17/59/76/956175976.db2.gz AHHKJOXKFDFPFE-MRXNPFEDSA-N -1 3 379.210 3.447 20 5 GGBDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001604180833 972604545 /nfs/dbraw/zinc/60/45/45/972604545.db2.gz XHBMVKFYZBKGDS-UHFFFAOYSA-N -1 3 387.436 3.163 20 5 GGBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](C)N(Cc3ccccc3)CC2)n1 ZINC000563204278 974519365 /nfs/dbraw/zinc/51/93/65/974519365.db2.gz APOANNVUQFAIMN-HNNXBMFYSA-N -1 3 384.436 3.097 20 5 GGBDHM O=C([O-])CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCOCC1 ZINC000564969844 974560521 /nfs/dbraw/zinc/56/05/21/974560521.db2.gz CREDAOLCWSSTOM-UHFFFAOYSA-N -1 3 391.449 3.174 20 5 GGBDHM CC(C)Oc1ccc([C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000569697016 974696738 /nfs/dbraw/zinc/69/67/38/974696738.db2.gz FVYVPOJWCRISJQ-QGZVFWFLSA-N -1 3 388.424 3.190 20 5 GGBDHM O=C([O-])CCN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000579133046 974869433 /nfs/dbraw/zinc/86/94/33/974869433.db2.gz UCOXEGWENQMCEB-UHFFFAOYSA-N -1 3 380.347 3.229 20 5 GGBDHM Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000864172272 979803965 /nfs/dbraw/zinc/80/39/65/979803965.db2.gz RFXCODQPOKXPSC-IEBWSBKVSA-N -1 3 395.415 3.050 20 5 GGBDHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000901826607 980546415 /nfs/dbraw/zinc/54/64/15/980546415.db2.gz ITGBHGDKDYKGOF-LJQANCHMSA-N -1 3 392.358 3.425 20 5 GGBDHM CO[C@@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000902031718 980703385 /nfs/dbraw/zinc/70/33/85/980703385.db2.gz LFBQMHRQBZTIOE-YLJYHZDGSA-N -1 3 399.447 3.427 20 5 GGBDHM O=C([O-])/C=C\c1ccc(NCC2(N3CCSCC3)CCCC2)c([N+](=O)[O-])c1 ZINC000915213374 982665228 /nfs/dbraw/zinc/66/52/28/982665228.db2.gz WPNGUVNFHSQPBS-XQRVVYSFSA-N -1 3 391.493 3.466 20 5 GGBDHM CCN1CCN(c2ccc(Nc3ccc(CC(=O)[O-])cc3[N+](=O)[O-])cc2)CC1 ZINC001596441830 984130165 /nfs/dbraw/zinc/13/01/65/984130165.db2.gz BTRHIPNTFAEGKD-UHFFFAOYSA-N -1 3 384.436 3.107 20 5 GGBDHM CCO[C@H]1C[C@@](NCc2cc([N+](=O)[O-])ccc2OC(C)C)(C(=O)[O-])C1(C)C ZINC001596836949 985488999 /nfs/dbraw/zinc/48/89/99/985488999.db2.gz GSUPAWTXFZEVPB-QFBILLFUSA-N -1 3 380.441 3.130 20 5 GGBDHM CN(C)c1ncc(CN[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC001598359186 991488559 /nfs/dbraw/zinc/48/85/59/991488559.db2.gz JEKCNLYIYREXPB-NRFANRHFSA-N -1 3 394.431 3.299 20 5 GGBDHM CN(c1ccccc1)c1ccc(CN[C@]2(CC(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC001598545038 992935842 /nfs/dbraw/zinc/93/58/42/992935842.db2.gz LYTXUXDALSPXDX-FQEVSTJZSA-N -1 3 385.420 3.086 20 5 GGBDHM CN1CCC[C@@H](CNc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598591869 993446213 /nfs/dbraw/zinc/44/62/13/993446213.db2.gz DYQPDIKCPBKQTB-AWEZNQCLSA-N -1 3 397.431 3.278 20 5 GGBDHM C[C@](NCc1ccc(Br)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593291708 994670073 /nfs/dbraw/zinc/67/00/73/994670073.db2.gz BOBJKNWOBSLMOK-MRXNPFEDSA-N -1 3 379.210 3.447 20 5 GGBDHM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC001593298084 994709883 /nfs/dbraw/zinc/70/98/83/994709883.db2.gz DLZLCGVQDOGZMD-AWEZNQCLSA-N -1 3 396.403 3.095 20 5 GGBDHM C[C@@](NCc1ccc2c(c1)COC(C)(C)O2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593980917 997196217 /nfs/dbraw/zinc/19/62/17/997196217.db2.gz PAMKKSDIXUVOTJ-FQEVSTJZSA-N -1 3 386.404 3.330 20 5 GGBDHM COc1ccc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C(=O)[O-])c(Cl)c1OC ZINC000426805692 1126091550 /nfs/dbraw/zinc/09/15/50/1126091550.db2.gz DVTXCFSDQRFTBE-ZDUSSCGKSA-N -1 3 394.811 3.051 20 5 GGBDHM O=c1[n-]c(SCc2cccc([N+](=O)[O-])c2)nc2c1cnn2-c1ccccc1 ZINC000010612721 204337624 /nfs/dbraw/zinc/33/76/24/204337624.db2.gz FGEZPANHHFWUNZ-UHFFFAOYSA-N -1 3 379.401 3.309 20 5 GGBDHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000055193328 205145885 /nfs/dbraw/zinc/14/58/85/205145885.db2.gz XWUXZAPSUUFSJN-UHFFFAOYSA-N -1 3 377.784 3.184 20 5 GGBDHM Cc1oc(C(N)=O)cc1-c1csc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000114701937 564180294 /nfs/dbraw/zinc/18/02/94/564180294.db2.gz SUHGKJAGCYRPCB-UHFFFAOYSA-N -1 3 378.391 3.032 20 5 GGBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000017333938 564298209 /nfs/dbraw/zinc/29/82/09/564298209.db2.gz IQGLBWILCOHMDE-UHFFFAOYSA-N -1 3 390.248 3.292 20 5 GGBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)c1C ZINC000120669886 564331636 /nfs/dbraw/zinc/33/16/36/564331636.db2.gz MUEFGKZSSUFFJF-UHFFFAOYSA-N -1 3 381.479 3.416 20 5 GGBDHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])sc1C ZINC000120756289 564336191 /nfs/dbraw/zinc/33/61/91/564336191.db2.gz HMURTMYYSQFTDA-UHFFFAOYSA-N -1 3 383.495 3.499 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000025376484 564338706 /nfs/dbraw/zinc/33/87/06/564338706.db2.gz ZZDKAOWJVRKMMF-ZJUUUORDSA-N -1 3 382.360 3.003 20 5 GGBDHM COc1ccc(C)cc1C[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000028321079 564361660 /nfs/dbraw/zinc/36/16/60/564361660.db2.gz MNFDSWBQRWJTME-UHFFFAOYSA-N -1 3 384.841 3.352 20 5 GGBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1C ZINC000028782441 564364856 /nfs/dbraw/zinc/36/48/56/564364856.db2.gz HGPIHTLHJGBLTR-UHFFFAOYSA-N -1 3 384.797 3.395 20 5 GGBDHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1ccccc1[N+](=O)[O-] ZINC000028899502 564365686 /nfs/dbraw/zinc/36/56/86/564365686.db2.gz GRPVKXMUWCUTHJ-UHFFFAOYSA-N -1 3 388.181 3.395 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cccc(Cl)c1 ZINC000029940213 564375852 /nfs/dbraw/zinc/37/58/52/564375852.db2.gz YNAFXKKMEWLBCR-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM COc1ccc(C)cc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029969891 564375880 /nfs/dbraw/zinc/37/58/80/564375880.db2.gz BWBYTWUAVIHZDI-UHFFFAOYSA-N -1 3 384.841 3.086 20 5 GGBDHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000029969589 564375942 /nfs/dbraw/zinc/37/59/42/564375942.db2.gz CEMLFCUJGYTLHA-UHFFFAOYSA-N -1 3 384.841 3.222 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000032412647 564398394 /nfs/dbraw/zinc/39/83/94/564398394.db2.gz LOGHBTQJGOOBMS-UWVGGRQHSA-N -1 3 382.360 3.003 20 5 GGBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000122543125 564418403 /nfs/dbraw/zinc/41/84/03/564418403.db2.gz XSLJKEZMYJHPCA-UHFFFAOYSA-N -1 3 376.862 3.123 20 5 GGBDHM COc1ccc([C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C2CC2)cc1 ZINC000122923845 564432387 /nfs/dbraw/zinc/43/23/87/564432387.db2.gz UOMOFDKNXLOXBK-MRXNPFEDSA-N -1 3 382.463 3.403 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2cc(Br)cs2)cc1[N+](=O)[O-] ZINC000123212851 564441945 /nfs/dbraw/zinc/44/19/45/564441945.db2.gz JQADJMVAHKIAFM-UHFFFAOYSA-N -1 3 397.297 3.267 20 5 GGBDHM CCCOCc1ccccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000123223109 564442087 /nfs/dbraw/zinc/44/20/87/564442087.db2.gz YHDQMCVYOYYXHA-UHFFFAOYSA-N -1 3 384.479 3.370 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)cc1[N+](=O)[O-] ZINC000123517402 564451710 /nfs/dbraw/zinc/45/17/10/564451710.db2.gz QXHKEWNTKLCPGO-UHFFFAOYSA-N -1 3 379.419 3.098 20 5 GGBDHM Cc1csc(CCCC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000123550970 564452299 /nfs/dbraw/zinc/45/22/99/564452299.db2.gz BFXQKTLVKMVMIR-UHFFFAOYSA-N -1 3 375.497 3.031 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000124157941 564473281 /nfs/dbraw/zinc/47/32/81/564473281.db2.gz LMUAKRSNDWISSH-FZMZJTMJSA-N -1 3 376.500 3.084 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000124158609 564473524 /nfs/dbraw/zinc/47/35/24/564473524.db2.gz LMUAKRSNDWISSH-BXUZGUMPSA-N -1 3 376.500 3.084 20 5 GGBDHM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)sc1C ZINC000124184186 564473868 /nfs/dbraw/zinc/47/38/68/564473868.db2.gz SONVYXDWQNKQDH-UHFFFAOYSA-N -1 3 375.497 3.252 20 5 GGBDHM CC[C@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1nc(C)cs1 ZINC000124599235 564487434 /nfs/dbraw/zinc/48/74/34/564487434.db2.gz GHAAPHVYNGBQAS-ZDUSSCGKSA-N -1 3 375.497 3.333 20 5 GGBDHM CC[C@@](C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1nc(C)cs1 ZINC000124599462 564487745 /nfs/dbraw/zinc/48/77/45/564487745.db2.gz GHAAPHVYNGBQAS-CYBMUJFWSA-N -1 3 375.497 3.333 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc3ccccc3s2)c(Cl)c1 ZINC000047543160 564522776 /nfs/dbraw/zinc/52/27/76/564522776.db2.gz VSWZCMLMWUPMJZ-UHFFFAOYSA-N -1 3 383.838 3.336 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc(OC(F)F)c1 ZINC000051157518 564562162 /nfs/dbraw/zinc/56/21/62/564562162.db2.gz PAGBOKZJKASHLP-UHFFFAOYSA-N -1 3 392.767 3.328 20 5 GGBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000127303239 564580343 /nfs/dbraw/zinc/58/03/43/564580343.db2.gz HXXPDABTKYASQM-UHFFFAOYSA-N -1 3 383.857 3.419 20 5 GGBDHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000055676920 564629661 /nfs/dbraw/zinc/62/96/61/564629661.db2.gz OQCGQMOBIRPEOW-UHFFFAOYSA-N -1 3 383.813 3.316 20 5 GGBDHM CO[C@@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000128968949 564635146 /nfs/dbraw/zinc/63/51/46/564635146.db2.gz WNOSZKCBTPRRFF-MEDUHNTESA-N -1 3 384.841 3.303 20 5 GGBDHM CO[C@H](c1ccc(Cl)cc1)[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000128968538 564635312 /nfs/dbraw/zinc/63/53/12/564635312.db2.gz WNOSZKCBTPRRFF-ZBEGNZNMSA-N -1 3 384.841 3.303 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)c(F)c1 ZINC000055991259 564637070 /nfs/dbraw/zinc/63/70/70/564637070.db2.gz KRLRFINUSHIOIP-CYBMUJFWSA-N -1 3 386.401 3.388 20 5 GGBDHM 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376.862 3.263 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1c(F)cccc1Br ZINC000160098826 565230530 /nfs/dbraw/zinc/23/05/30/565230530.db2.gz RUDJLWIBEWOMAM-UHFFFAOYSA-N -1 3 375.175 3.297 20 5 GGBDHM Cc1csc([C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000186488357 565263089 /nfs/dbraw/zinc/26/30/89/565263089.db2.gz LINCKMJXEUSWLI-MRVPVSSYSA-N -1 3 375.859 3.095 20 5 GGBDHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000186488337 565263416 /nfs/dbraw/zinc/26/34/16/565263416.db2.gz LINCKMJXEUSWLI-QMMMGPOBSA-N -1 3 375.859 3.095 20 5 GGBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nccs1 ZINC000186671630 565276844 /nfs/dbraw/zinc/27/68/44/565276844.db2.gz CLVDULRBLDYWLG-QMMMGPOBSA-N -1 3 395.384 3.152 20 5 GGBDHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nccs1 ZINC000163365971 565344204 /nfs/dbraw/zinc/34/42/04/565344204.db2.gz ULUILIWRHGLQHD-UHFFFAOYSA-N -1 3 395.384 3.284 20 5 GGBDHM 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CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000173835980 565591930 /nfs/dbraw/zinc/59/19/30/565591930.db2.gz LNBSMKGPXYCDEM-SNVBAGLBSA-N -1 3 395.384 3.500 20 5 GGBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000173971485 565602628 /nfs/dbraw/zinc/60/26/28/565602628.db2.gz BLHZHUUKWSYRHT-UHFFFAOYSA-N -1 3 383.813 3.180 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1 ZINC000191879038 565639239 /nfs/dbraw/zinc/63/92/39/565639239.db2.gz KTYBWZJXXRSGLB-UHFFFAOYSA-N -1 3 393.165 3.436 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000191905135 565641274 /nfs/dbraw/zinc/64/12/74/565641274.db2.gz JUEFZQKRODTFHF-UHFFFAOYSA-N -1 3 376.843 3.105 20 5 GGBDHM Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c1[O-] ZINC000174936705 565668824 /nfs/dbraw/zinc/66/88/24/565668824.db2.gz ABRCRJOAPPIWHE-UHFFFAOYSA-N -1 3 398.156 3.466 20 5 GGBDHM O=C([N-]c1cc(F)c(F)cc1I)c1ccc([N+](=O)[O-])o1 ZINC000175413201 565698755 /nfs/dbraw/zinc/69/87/55/565698755.db2.gz LVUAOZKHXSUKLO-UHFFFAOYSA-N -1 3 394.071 3.323 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1csc(-c2ccccc2)n1 ZINC000192813452 565711897 /nfs/dbraw/zinc/71/18/97/565711897.db2.gz FKNPTVWCUHAPKR-UHFFFAOYSA-N -1 3 375.431 3.197 20 5 GGBDHM Cc1nc(C)c(-c2csc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n2)s1 ZINC000193425035 565750183 /nfs/dbraw/zinc/75/01/83/565750183.db2.gz KIHHOPRACUSPCO-UHFFFAOYSA-N -1 3 377.407 3.145 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1[N+](=O)[O-] ZINC000176725409 565798651 /nfs/dbraw/zinc/79/86/51/565798651.db2.gz KWINGMKDFQESDZ-UHFFFAOYSA-N -1 3 378.740 3.336 20 5 GGBDHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000414457376 565936660 /nfs/dbraw/zinc/93/66/60/565936660.db2.gz JDPVWGDPHPYAFJ-UHFFFAOYSA-N -1 3 383.857 3.419 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)cc1[N+](=O)[O-] ZINC000416507865 566078974 /nfs/dbraw/zinc/07/89/74/566078974.db2.gz MPGLIDBVGYZELR-ZYHUDNBSSA-N -1 3 388.492 3.225 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3cccs3)C2)c([N+](=O)[O-])c1 ZINC000416506916 566079323 /nfs/dbraw/zinc/07/93/23/566079323.db2.gz IKPMWPRQSLJABU-TZMCWYRMSA-N -1 3 382.463 3.163 20 5 GGBDHM CCC(C)(C)OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000416529147 566081422 /nfs/dbraw/zinc/08/14/22/566081422.db2.gz ZKIHYJLLTLZCOQ-UHFFFAOYSA-N -1 3 384.376 3.097 20 5 GGBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)c2nc3c(s2)CCC3)c1[N+](=O)[O-] ZINC000416542659 566084766 /nfs/dbraw/zinc/08/47/66/566084766.db2.gz XONCEPOBYFMWSK-LLVKDONJSA-N -1 3 381.479 3.196 20 5 GGBDHM O=C([N-]c1ccn(-c2ccccc2)n1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444856722 566254678 /nfs/dbraw/zinc/25/46/78/566254678.db2.gz ZYUUFWZAIPZCFB-UHFFFAOYSA-N -1 3 393.222 3.279 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000481862823 566258235 /nfs/dbraw/zinc/25/82/35/566258235.db2.gz BUDSGPFVJSJTEP-UHFFFAOYSA-N -1 3 383.857 3.419 20 5 GGBDHM COC(=O)c1sccc1[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000481902134 566261920 /nfs/dbraw/zinc/26/19/20/566261920.db2.gz SHOQQYOIDZUKHF-UHFFFAOYSA-N -1 3 382.419 3.426 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)c1ccc(Cl)cc1 ZINC000556062075 566269799 /nfs/dbraw/zinc/26/97/99/566269799.db2.gz LAQKQWGODHGNAX-UHFFFAOYSA-N -1 3 384.841 3.470 20 5 GGBDHM COC(=O)c1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])cc1 ZINC000445245775 566275082 /nfs/dbraw/zinc/27/50/82/566275082.db2.gz BPTJHPGZDFSWNJ-UHFFFAOYSA-N -1 3 385.195 3.458 20 5 GGBDHM COC(=O)c1cccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000445245846 566275180 /nfs/dbraw/zinc/27/51/80/566275180.db2.gz CAKDIGQGZFQRFU-UHFFFAOYSA-N -1 3 385.195 3.458 20 5 GGBDHM COc1ccc(CC(C)(C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000445740276 566309979 /nfs/dbraw/zinc/30/99/79/566309979.db2.gz JCXVISXNYSMDEB-UHFFFAOYSA-N -1 3 384.479 3.273 20 5 GGBDHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000462532118 566318750 /nfs/dbraw/zinc/31/87/50/566318750.db2.gz XKXWAYNVDRVKQR-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)Oc1ccc(Cl)cc1 ZINC000462576096 566327323 /nfs/dbraw/zinc/32/73/23/566327323.db2.gz OXILVMOZCZREHV-LBPRGKRZSA-N -1 3 384.841 3.302 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]C[C@H](C)Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000462600436 566332270 /nfs/dbraw/zinc/33/22/70/566332270.db2.gz FSFMQFOOZYMZTL-LBPRGKRZSA-N -1 3 382.463 3.063 20 5 GGBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C12CCCC2 ZINC000462656860 566337003 /nfs/dbraw/zinc/33/70/03/566337003.db2.gz LVNOOUVGOSGWBG-GJZGRUSLSA-N -1 3 388.873 3.264 20 5 GGBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000462668175 566338373 /nfs/dbraw/zinc/33/83/73/566338373.db2.gz KNWASBXSBNPETM-HNNXBMFYSA-N -1 3 384.841 3.223 20 5 GGBDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCCC2 ZINC000462673392 566339835 /nfs/dbraw/zinc/33/98/35/566339835.db2.gz FQSJCHOBIUPUEM-GJZGRUSLSA-N -1 3 388.873 3.264 20 5 GGBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1F ZINC000462702583 566343312 /nfs/dbraw/zinc/34/33/12/566343312.db2.gz LYZOFKISFHJSJD-JTQLQIEISA-N -1 3 388.804 3.133 20 5 GGBDHM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462705335 566344603 /nfs/dbraw/zinc/34/46/03/566344603.db2.gz AAOFZUQWGBLIBN-GFCCVEGCSA-N -1 3 384.841 3.302 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000462705517 566344716 /nfs/dbraw/zinc/34/47/16/566344716.db2.gz OHUDXBVKVWTNGF-GFCCVEGCSA-N -1 3 384.841 3.302 20 5 GGBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1cccc(F)c1 ZINC000462703591 566344830 /nfs/dbraw/zinc/34/48/30/566344830.db2.gz LKCLSDZRUKYUBT-JTQLQIEISA-N -1 3 388.804 3.133 20 5 GGBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Oc1ccccc1Cl ZINC000462711463 566346527 /nfs/dbraw/zinc/34/65/27/566346527.db2.gz JSPLGNSVGBVIMO-SNVBAGLBSA-N -1 3 388.804 3.133 20 5 GGBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000462709584 566346673 /nfs/dbraw/zinc/34/66/73/566346673.db2.gz YQDLJPCSGGVXNR-JTQLQIEISA-N -1 3 388.804 3.133 20 5 GGBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000462714515 566346725 /nfs/dbraw/zinc/34/67/25/566346725.db2.gz NOXZIHIEWRLBNJ-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)c(F)c1 ZINC000576670433 566367864 /nfs/dbraw/zinc/36/78/64/566367864.db2.gz NUFWDQWPISWFCK-JTQLQIEISA-N -1 3 376.818 3.415 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cccc2F)c(Br)c1 ZINC000447005626 566378394 /nfs/dbraw/zinc/37/83/94/566378394.db2.gz HTOYJSIAATZHGE-UHFFFAOYSA-N -1 3 393.165 3.436 20 5 GGBDHM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447021859 566379526 /nfs/dbraw/zinc/37/95/26/566379526.db2.gz AVGSKPSGYNWFOB-JOYOIKCWSA-N -1 3 377.260 3.214 20 5 GGBDHM CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCC1 ZINC000447040514 566381363 /nfs/dbraw/zinc/38/13/63/566381363.db2.gz SHYNKHMEQZOTLE-UHFFFAOYSA-N -1 3 377.260 3.216 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCSCC2)c(C(F)(F)F)c1 ZINC000447038311 566381689 /nfs/dbraw/zinc/38/16/89/566381689.db2.gz KYIURSYNBAUXGT-UHFFFAOYSA-N -1 3 384.401 3.035 20 5 GGBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N=c1[nH][n-]cc1Br ZINC000557392975 566382161 /nfs/dbraw/zinc/38/21/61/566382161.db2.gz KAPMVTJPYQMWOY-UHFFFAOYSA-N -1 3 385.243 3.255 20 5 GGBDHM C[C@H](C(=O)NCc1ccc([O-])c(Br)c1)c1cccc([N+](=O)[O-])c1 ZINC000576895718 566387796 /nfs/dbraw/zinc/38/77/96/566387796.db2.gz HEMDOYLEOYOZPI-JTQLQIEISA-N -1 3 379.210 3.483 20 5 GGBDHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ccc(S(C)(=O)=O)s1 ZINC000421898707 566415215 /nfs/dbraw/zinc/41/52/15/566415215.db2.gz YSSVQMIEHSWZRY-UHFFFAOYSA-N -1 3 383.451 3.132 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@@H](CCO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000557859130 566429591 /nfs/dbraw/zinc/42/95/91/566429591.db2.gz RLKHSCPHGATUHY-LBPRGKRZSA-N -1 3 390.870 3.020 20 5 GGBDHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000511389983 566461244 /nfs/dbraw/zinc/46/12/44/566461244.db2.gz GRFIBGGUOOQREN-UHFFFAOYSA-N -1 3 395.600 3.333 20 5 GGBDHM Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000511857203 566492776 /nfs/dbraw/zinc/49/27/76/566492776.db2.gz CFKXRIWMPBSCIL-UHFFFAOYSA-N -1 3 384.841 3.222 20 5 GGBDHM C[S@@](=O)c1cccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000485500051 566504655 /nfs/dbraw/zinc/50/46/55/566504655.db2.gz YDOFYAGDDXFBNK-OAQYLSRUSA-N -1 3 389.252 3.409 20 5 GGBDHM C[S@](=O)c1cccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000485500050 566505563 /nfs/dbraw/zinc/50/55/63/566505563.db2.gz YDOFYAGDDXFBNK-NRFANRHFSA-N -1 3 389.252 3.409 20 5 GGBDHM Cn1ncc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1C(F)(F)F ZINC000485685755 566518357 /nfs/dbraw/zinc/51/83/57/566518357.db2.gz VMJJMFGQVBYQFE-UHFFFAOYSA-N -1 3 399.148 3.423 20 5 GGBDHM CSc1cccc(C(=O)[N-]c2ccccc2SCC(N)=O)c1[N+](=O)[O-] ZINC000485772703 566526057 /nfs/dbraw/zinc/52/60/57/566526057.db2.gz UHLDAQHYNMNIPG-UHFFFAOYSA-N -1 3 377.447 3.146 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1cccc(Cl)c1 ZINC000578573659 566535482 /nfs/dbraw/zinc/53/54/82/566535482.db2.gz FGNVMJLGGMLOKB-LBPRGKRZSA-N -1 3 390.870 3.284 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSCc2ccccc2F)c(F)c1 ZINC000604021652 566550489 /nfs/dbraw/zinc/55/04/89/566550489.db2.gz IFARNEJTOKCRCB-UHFFFAOYSA-N -1 3 388.417 3.085 20 5 GGBDHM Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1 ZINC000512891624 566566723 /nfs/dbraw/zinc/56/67/23/566566723.db2.gz RITAMVXGFLHBFY-UHFFFAOYSA-N -1 3 398.156 3.466 20 5 GGBDHM O=C([O-])C1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000559980295 566582058 /nfs/dbraw/zinc/58/20/58/566582058.db2.gz HRQULLQHDXJNGT-UHFFFAOYSA-N -1 3 381.182 3.324 20 5 GGBDHM O=C([N-]c1cccc2c1OCCO2)c1sc(Br)cc1[N+](=O)[O-] ZINC000486425238 566587643 /nfs/dbraw/zinc/58/76/43/566587643.db2.gz MNNMALLCZUZFTJ-UHFFFAOYSA-N -1 3 385.195 3.442 20 5 GGBDHM CO[C@@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467049669 566621482 /nfs/dbraw/zinc/62/14/82/566621482.db2.gz VKTLPBYIKHBMFC-BJOHPYRUSA-N -1 3 388.442 3.158 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000467065521 566622452 /nfs/dbraw/zinc/62/24/52/566622452.db2.gz ZJAGVMYKNCBSNI-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467064285 566623055 /nfs/dbraw/zinc/62/30/55/566623055.db2.gz UWZWEELVUHLMCO-PSLIRLAXSA-N -1 3 388.442 3.158 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000467070800 566624271 /nfs/dbraw/zinc/62/42/71/566624271.db2.gz GGEZQIWEFWTIBH-SECBINFHSA-N -1 3 390.870 3.364 20 5 GGBDHM CCCCCn1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c(C)n1 ZINC000467078083 566624417 /nfs/dbraw/zinc/62/44/17/566624417.db2.gz FQRLZEMDRPOJQT-UHFFFAOYSA-N -1 3 386.499 3.138 20 5 GGBDHM CCO[C@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CCCC1 ZINC000467081134 566625090 /nfs/dbraw/zinc/62/50/90/566625090.db2.gz KQUYDPDXXCSQOK-CQSZACIVSA-N -1 3 376.500 3.228 20 5 GGBDHM CCO[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C1CCCC1 ZINC000467081033 566625178 /nfs/dbraw/zinc/62/51/78/566625178.db2.gz KQUYDPDXXCSQOK-AWEZNQCLSA-N -1 3 376.500 3.228 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](C)c2nc(C(F)(F)F)cs2)c([N+](=O)[O-])c1 ZINC000486836129 566626992 /nfs/dbraw/zinc/62/69/92/566626992.db2.gz XSTBWKWNVNWHPC-QMMMGPOBSA-N -1 3 395.384 3.418 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000467395778 566643178 /nfs/dbraw/zinc/64/31/78/566643178.db2.gz VFIFDYBVIHEQFY-LBPRGKRZSA-N -1 3 384.479 3.096 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000467399786 566643276 /nfs/dbraw/zinc/64/32/76/566643276.db2.gz QNLXWMDWQVBBDS-HOCLYGCPSA-N -1 3 382.463 3.163 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2csc(Br)c2)cc1[N+](=O)[O-] ZINC000467403423 566643351 /nfs/dbraw/zinc/64/33/51/566643351.db2.gz WJYWZQAZHVEDLL-UHFFFAOYSA-N -1 3 397.297 3.267 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(Cl)cc1 ZINC000487337196 566665448 /nfs/dbraw/zinc/66/54/48/566665448.db2.gz NGJAHYXRGYUHSG-HNNXBMFYSA-N -1 3 384.841 3.223 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487367017 566666652 /nfs/dbraw/zinc/66/66/52/566666652.db2.gz MAVKZSIBKHSAGK-AWEZNQCLSA-N -1 3 384.841 3.223 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1ccc(Cl)cc1 ZINC000487391951 566668897 /nfs/dbraw/zinc/66/88/97/566668897.db2.gz ASEUXGGILDUNEJ-HNNXBMFYSA-N -1 3 384.841 3.223 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487413328 566671502 /nfs/dbraw/zinc/67/15/02/566671502.db2.gz RTEOCKDMABELSS-AWEZNQCLSA-N -1 3 384.841 3.223 20 5 GGBDHM O=C(Nc1nc2c(cccc2Br)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000561459614 566706671 /nfs/dbraw/zinc/70/66/71/566706671.db2.gz SMZSJSZNQYTLNJ-UHFFFAOYSA-N -1 3 395.194 3.320 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000541308462 566713514 /nfs/dbraw/zinc/71/35/14/566713514.db2.gz IJGKLPBDTDLTFD-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM CN(CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000515730155 566730553 /nfs/dbraw/zinc/73/05/53/566730553.db2.gz XCGHQABLJSGDBN-UHFFFAOYSA-N -1 3 383.857 3.053 20 5 GGBDHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000515758843 566732166 /nfs/dbraw/zinc/73/21/66/566732166.db2.gz RKPHBCMMTIWMTG-BXUZGUMPSA-N -1 3 376.862 3.122 20 5 GGBDHM O=C(NCc1ccc([O-])c(Br)c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000488684656 566741782 /nfs/dbraw/zinc/74/17/82/566741782.db2.gz KHFKMKLJCKBNQQ-UHFFFAOYSA-N -1 3 390.193 3.474 20 5 GGBDHM Cc1cc(=O)[n-]c(C=Cc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000516221015 566753747 /nfs/dbraw/zinc/75/37/47/566753747.db2.gz LIRJCNYQYWYLKG-IHWYPQMZSA-N -1 3 383.145 3.174 20 5 GGBDHM Cc1ccccc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488862807 566754115 /nfs/dbraw/zinc/75/41/15/566754115.db2.gz TZYACEFXGIMDQU-UHFFFAOYSA-N -1 3 385.239 3.144 20 5 GGBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)c1 ZINC000609333920 566758736 /nfs/dbraw/zinc/75/87/36/566758736.db2.gz SAEGPUFSDNKIBN-UHFFFAOYSA-N -1 3 375.431 3.197 20 5 GGBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])c(C)c1 ZINC000488998005 566762017 /nfs/dbraw/zinc/76/20/17/566762017.db2.gz AMOVEWRIGXDXRG-UHFFFAOYSA-N -1 3 399.266 3.453 20 5 GGBDHM O=[N+]([O-])c1ccc(Sc2cccc([O-])c2)c(S(=O)(=O)N2CCCC2)c1 ZINC000542523595 566809154 /nfs/dbraw/zinc/80/91/54/566809154.db2.gz IFWJMXDNUZZANI-UHFFFAOYSA-N -1 3 380.447 3.236 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2Cl)c(F)c1 ZINC000610134990 566810261 /nfs/dbraw/zinc/81/02/61/566810261.db2.gz IJPWWFUCYPQQJG-NOZJJQNGSA-N -1 3 388.779 3.361 20 5 GGBDHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000610263577 566820184 /nfs/dbraw/zinc/82/01/84/566820184.db2.gz RHNNZKGIBQWYLH-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3c2CCCN3)c(Cl)c1 ZINC000490002956 566823332 /nfs/dbraw/zinc/82/33/32/566823332.db2.gz HBTKHZBPPURGEU-UHFFFAOYSA-N -1 3 381.841 3.085 20 5 GGBDHM Cc1occc1C[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000610338262 566824920 /nfs/dbraw/zinc/82/49/20/566824920.db2.gz AGWRNIOQLOLWIH-UHFFFAOYSA-N -1 3 389.227 3.046 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1c(F)c(F)cc(F)c1F ZINC000610591636 566846455 /nfs/dbraw/zinc/84/64/55/566846455.db2.gz AZAIJDIEFGYNQT-UHFFFAOYSA-N -1 3 398.721 3.283 20 5 GGBDHM CCSc1cccc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000490433244 566850490 /nfs/dbraw/zinc/85/04/90/566850490.db2.gz BNRZDRHDKFJUBX-UHFFFAOYSA-N -1 3 382.463 3.194 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000518003395 566859559 /nfs/dbraw/zinc/85/95/59/566859559.db2.gz YDMBQEYWCPCIAZ-UHFFFAOYSA-N -1 3 383.838 3.336 20 5 GGBDHM CC1(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCC1 ZINC000518215965 566872132 /nfs/dbraw/zinc/87/21/32/566872132.db2.gz DGTRWHKNIWZRFZ-UHFFFAOYSA-N -1 3 377.260 3.216 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)[C@@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000490624821 566872339 /nfs/dbraw/zinc/87/23/39/566872339.db2.gz BFRPKTLIRCTWBL-CLAHSXSESA-N -1 3 388.492 3.007 20 5 GGBDHM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000470610296 566886930 /nfs/dbraw/zinc/88/69/30/566886930.db2.gz DJTBIIWQKPPSHY-ZDUSSCGKSA-N -1 3 382.825 3.223 20 5 GGBDHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000470610295 566887132 /nfs/dbraw/zinc/88/71/32/566887132.db2.gz DJTBIIWQKPPSHY-CYBMUJFWSA-N -1 3 382.825 3.223 20 5 GGBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)c1 ZINC000451830882 566890886 /nfs/dbraw/zinc/89/08/86/566890886.db2.gz YUINMGVSSNTLFH-MRVPVSSYSA-N -1 3 399.213 3.071 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000518595169 566893986 /nfs/dbraw/zinc/89/39/86/566893986.db2.gz NDJJDQBTVUVVKV-QWHCGFSZSA-N -1 3 397.250 3.192 20 5 GGBDHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000491533802 566908350 /nfs/dbraw/zinc/90/83/50/566908350.db2.gz SQWRDRKPBNOLIY-MNOVXSKESA-N -1 3 392.474 3.085 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1nc(C(C)(C)C)cs1 ZINC000519151797 566923328 /nfs/dbraw/zinc/92/33/28/566923328.db2.gz HJQFHOHYBRZYNQ-UHFFFAOYSA-N -1 3 383.495 3.178 20 5 GGBDHM O=[N+]([O-])c1ccc2ncnc(NCc3ccc([O-])c(Br)c3)c2c1 ZINC000611711790 566934305 /nfs/dbraw/zinc/93/43/05/566934305.db2.gz QRNWLMAFPYVIFO-UHFFFAOYSA-N -1 3 375.182 3.040 20 5 GGBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cscc1Br ZINC000493319868 566945504 /nfs/dbraw/zinc/94/55/04/566945504.db2.gz KSMDUGDPSDDJDM-UHFFFAOYSA-N -1 3 393.222 3.483 20 5 GGBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000564100634 566945572 /nfs/dbraw/zinc/94/55/72/566945572.db2.gz BWNISDOGPBWKSF-CQSZACIVSA-N -1 3 384.841 3.223 20 5 GGBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c1 ZINC000429979281 566972326 /nfs/dbraw/zinc/97/23/26/566972326.db2.gz YNXYAEYNRNCMFF-MRVPVSSYSA-N -1 3 399.213 3.071 20 5 GGBDHM C[C@@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000520028243 566982372 /nfs/dbraw/zinc/98/23/72/566982372.db2.gz HYYNHOCIMZMWHT-NSHDSACASA-N -1 3 399.266 3.267 20 5 GGBDHM C[C@H](Cc1cccc(Br)c1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000520028242 566982776 /nfs/dbraw/zinc/98/27/76/566982776.db2.gz HYYNHOCIMZMWHT-LLVKDONJSA-N -1 3 399.266 3.267 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000472211015 567009978 /nfs/dbraw/zinc/00/99/78/567009978.db2.gz XRPQFFYBJXNVMK-UHFFFAOYSA-N -1 3 392.405 3.087 20 5 GGBDHM CSc1cccc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000472243189 567011110 /nfs/dbraw/zinc/01/11/10/567011110.db2.gz WAXJMIORXMQLNJ-UHFFFAOYSA-N -1 3 380.447 3.281 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000545229117 567030563 /nfs/dbraw/zinc/03/05/63/567030563.db2.gz CTXJIQKADFUKSA-UHFFFAOYSA-N -1 3 392.405 3.087 20 5 GGBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1Cl ZINC000613477105 567040227 /nfs/dbraw/zinc/04/02/27/567040227.db2.gz BXZDBNPPTJRFRU-ZDUSSCGKSA-N -1 3 390.870 3.284 20 5 GGBDHM CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccccc1Cl ZINC000613477096 567040505 /nfs/dbraw/zinc/04/05/05/567040505.db2.gz BXZDBNPPTJRFRU-CYBMUJFWSA-N -1 3 390.870 3.284 20 5 GGBDHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000431068237 567050737 /nfs/dbraw/zinc/05/07/37/567050737.db2.gz BJCQNPOXXXHLKK-NSHDSACASA-N -1 3 382.825 3.188 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2csc3ccccc23)c(F)c1 ZINC000521386307 567058045 /nfs/dbraw/zinc/05/80/45/567058045.db2.gz HVCQYTUQZSCOCQ-UHFFFAOYSA-N -1 3 380.422 3.470 20 5 GGBDHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1Cl ZINC000431183275 567063254 /nfs/dbraw/zinc/06/32/54/567063254.db2.gz OXQFQSQNCRPWBA-UHFFFAOYSA-N -1 3 384.797 3.144 20 5 GGBDHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000521766180 567077319 /nfs/dbraw/zinc/07/73/19/567077319.db2.gz LSOYXTXGXRPMQX-GXSJLCMTSA-N -1 3 377.260 3.214 20 5 GGBDHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000521766185 567077469 /nfs/dbraw/zinc/07/74/69/567077469.db2.gz LSOYXTXGXRPMQX-ONGXEEELSA-N -1 3 377.260 3.214 20 5 GGBDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000521766183 567078069 /nfs/dbraw/zinc/07/80/69/567078069.db2.gz LSOYXTXGXRPMQX-MWLCHTKSSA-N -1 3 377.260 3.214 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000521771919 567079184 /nfs/dbraw/zinc/07/91/84/567079184.db2.gz AFRCNKOLJNSKBZ-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM Cc1cc(S(=O)(=O)[N-]CCNc2ccc([N+](=O)[O-])cc2)sc1Cl ZINC000473916588 567114923 /nfs/dbraw/zinc/11/49/23/567114923.db2.gz STOIROJRLNVVES-UHFFFAOYSA-N -1 3 375.859 3.009 20 5 GGBDHM CCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCCO)s1 ZINC000497657115 567116014 /nfs/dbraw/zinc/11/60/14/567116014.db2.gz WAGBTKSUFBJBOS-UHFFFAOYSA-N -1 3 382.467 3.126 20 5 GGBDHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000497788416 567125174 /nfs/dbraw/zinc/12/51/74/567125174.db2.gz QYEYCRVJZVMYGX-UHFFFAOYSA-N -1 3 384.841 3.352 20 5 GGBDHM COc1cc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)ccc1[N+](=O)[O-] ZINC000432045390 567127507 /nfs/dbraw/zinc/12/75/07/567127507.db2.gz DLANKQHRMCGGFP-UHFFFAOYSA-N -1 3 384.797 3.260 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)cc1[N+](=O)[O-] ZINC000432060459 567129449 /nfs/dbraw/zinc/12/94/49/567129449.db2.gz DPSDVBQDXFXQMV-UHFFFAOYSA-N -1 3 384.797 3.260 20 5 GGBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1sccc1Br ZINC000523164645 567146666 /nfs/dbraw/zinc/14/66/66/567146666.db2.gz YYHYNNFFBNMPOS-UHFFFAOYSA-N -1 3 393.222 3.483 20 5 GGBDHM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)ccc1[N+](=O)[O-] ZINC000523728436 567169455 /nfs/dbraw/zinc/16/94/55/567169455.db2.gz WYSLIAOIKWITFC-UHFFFAOYSA-N -1 3 384.797 3.129 20 5 GGBDHM CCCCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000523908796 567176345 /nfs/dbraw/zinc/17/63/45/567176345.db2.gz QAZRCEITIBZRIW-CYBMUJFWSA-N -1 3 389.905 3.181 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000589919366 567197391 /nfs/dbraw/zinc/19/73/91/567197391.db2.gz IURVPSQUXKIYCA-LLVKDONJSA-N -1 3 378.397 3.097 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000589919371 567198172 /nfs/dbraw/zinc/19/81/72/567198172.db2.gz IURVPSQUXKIYCA-NSHDSACASA-N -1 3 378.397 3.097 20 5 GGBDHM CC(C)(C)c1csc([N-]C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000454944534 567215807 /nfs/dbraw/zinc/21/58/07/567215807.db2.gz KGUTTZZENCUOSY-UHFFFAOYSA-N -1 3 383.451 3.005 20 5 GGBDHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1csc(Br)c1 ZINC000499046390 567221647 /nfs/dbraw/zinc/22/16/47/567221647.db2.gz WAVWWXZFEHTCBL-UHFFFAOYSA-N -1 3 393.222 3.483 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c(Cl)c1Cl ZINC000525688679 567258300 /nfs/dbraw/zinc/25/83/00/567258300.db2.gz GUFBNBNBHJMAQU-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2SC)c([N+](=O)[O-])c1 ZINC000499643768 567263247 /nfs/dbraw/zinc/26/32/47/567263247.db2.gz RLLJSLOLHCGNRI-LLVKDONJSA-N -1 3 382.463 3.365 20 5 GGBDHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000617222869 567291873 /nfs/dbraw/zinc/29/18/73/567291873.db2.gz WOFOMQPNPPUDMU-QMMMGPOBSA-N -1 3 395.275 3.141 20 5 GGBDHM CC(C)(C)OC(=O)Cn1cc([N-]c2ncc(Br)cc2[N+](=O)[O-])cn1 ZINC000591956598 567305247 /nfs/dbraw/zinc/30/52/47/567305247.db2.gz SXTRZBUWNQAURS-UHFFFAOYSA-N -1 3 398.217 3.034 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(c2ccccc2Cl)CC1 ZINC000592067518 567312903 /nfs/dbraw/zinc/31/29/03/567312903.db2.gz YKSITYMRVLMJCS-UHFFFAOYSA-N -1 3 382.825 3.224 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cc(F)cc(F)c1 ZINC000500398755 567317283 /nfs/dbraw/zinc/31/72/83/567317283.db2.gz NZKOVHNUUDOGGY-UHFFFAOYSA-N -1 3 376.768 3.047 20 5 GGBDHM Cc1nn(C)c2ncc([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])cc12 ZINC000618345138 567376126 /nfs/dbraw/zinc/37/61/26/567376126.db2.gz TYDCQABYABMNGJ-UHFFFAOYSA-N -1 3 396.226 3.261 20 5 GGBDHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000549240687 567380714 /nfs/dbraw/zinc/38/07/14/567380714.db2.gz HJABIRRNTULHLV-GHMZBOCLSA-N -1 3 376.862 3.120 20 5 GGBDHM CN(c1ccc([O-])cc1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000435722807 567385592 /nfs/dbraw/zinc/38/55/92/567385592.db2.gz OTBUBUHKTUXGDZ-UHFFFAOYSA-N -1 3 377.205 3.432 20 5 GGBDHM O=C([N-]c1ccccc1-n1cncn1)c1sc(Br)cc1[N+](=O)[O-] ZINC000618398475 567386504 /nfs/dbraw/zinc/38/65/04/567386504.db2.gz QOQGQKLHUOCMLS-UHFFFAOYSA-N -1 3 394.210 3.252 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(F)cc(Cl)cc1F ZINC000619467860 567455714 /nfs/dbraw/zinc/45/57/14/567455714.db2.gz JTZRTGBFZVLSEY-UHFFFAOYSA-N -1 3 378.740 3.336 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000619473777 567457104 /nfs/dbraw/zinc/45/71/04/567457104.db2.gz LUWAVTKPZVXNCO-LBPRGKRZSA-N -1 3 380.447 3.119 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000619473776 567457399 /nfs/dbraw/zinc/45/73/99/567457399.db2.gz LUWAVTKPZVXNCO-GFCCVEGCSA-N -1 3 380.447 3.119 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000619476962 567457579 /nfs/dbraw/zinc/45/75/79/567457579.db2.gz JOHCZDAIEUJFKD-UHFFFAOYSA-N -1 3 378.431 3.297 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1c(Cl)cccc1Cl ZINC000619479735 567457947 /nfs/dbraw/zinc/45/79/47/567457947.db2.gz ZQQRKRUQZQTHBW-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccsc1 ZINC000619752198 567478897 /nfs/dbraw/zinc/47/88/97/567478897.db2.gz MNZKXNAWRIATAA-QMMMGPOBSA-N -1 3 391.268 3.458 20 5 GGBDHM COCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCCC1 ZINC000478789409 567484394 /nfs/dbraw/zinc/48/43/94/567484394.db2.gz RTZFTEGROSWWMB-UHFFFAOYSA-N -1 3 376.500 3.230 20 5 GGBDHM CCOc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1Cl ZINC000551206508 567487327 /nfs/dbraw/zinc/48/73/27/567487327.db2.gz CWGDZSJJOWYHBQ-UHFFFAOYSA-N -1 3 390.870 3.495 20 5 GGBDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000437725015 567506377 /nfs/dbraw/zinc/50/63/77/567506377.db2.gz UWIXPGYXRSWYHP-VIFPVBQESA-N -1 3 397.316 3.167 20 5 GGBDHM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594755385 567508357 /nfs/dbraw/zinc/50/83/57/567508357.db2.gz XACTXKJSWGFWGG-NEPJUHHUSA-N -1 3 381.479 3.096 20 5 GGBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594767011 567510823 /nfs/dbraw/zinc/51/08/23/567510823.db2.gz AJUOVSCELUYXAE-VIFPVBQESA-N -1 3 377.344 3.152 20 5 GGBDHM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594795929 567513958 /nfs/dbraw/zinc/51/39/58/567513958.db2.gz OIIWYSOXTJJHFR-ZIAGYGMSSA-N -1 3 381.479 3.096 20 5 GGBDHM CSCC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000594815952 567515786 /nfs/dbraw/zinc/51/57/86/567515786.db2.gz LCGAPDAXASFBRB-UHFFFAOYSA-N -1 3 398.428 3.425 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000479920314 567568390 /nfs/dbraw/zinc/56/83/90/567568390.db2.gz RAFPNBGCMKHBAE-UHFFFAOYSA-N -1 3 376.768 3.047 20 5 GGBDHM O=c1[n-]ccc(N2CCO[C@H](c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000596097000 567608011 /nfs/dbraw/zinc/60/80/11/567608011.db2.gz BPIJYJMHFLMDCS-ZDUSSCGKSA-N -1 3 380.198 3.036 20 5 GGBDHM O=c1[n-]ccc(N[C@H]2CCN(c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000596112529 567609496 /nfs/dbraw/zinc/60/94/96/567609496.db2.gz RSMIUYSGAHHPLT-NSHDSACASA-N -1 3 379.214 3.149 20 5 GGBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC000480707920 567622729 /nfs/dbraw/zinc/62/27/29/567622729.db2.gz KZGIKXYFKPRCJE-ZDUSSCGKSA-N -1 3 382.825 3.277 20 5 GGBDHM COc1ccc(CC(=O)Nc2cc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000530776979 567623354 /nfs/dbraw/zinc/62/33/54/567623354.db2.gz BQBMXKUITSGHRU-UHFFFAOYSA-N -1 3 381.182 3.253 20 5 GGBDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1cccc([O-])c1Br)CCO2 ZINC000459553887 567635930 /nfs/dbraw/zinc/63/59/30/567635930.db2.gz CDCVMYPQHZZXEO-UHFFFAOYSA-N -1 3 379.210 3.458 20 5 GGBDHM C[N-]S(=O)(=O)c1ccc(CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])s1 ZINC000572431595 567638123 /nfs/dbraw/zinc/63/81/23/567638123.db2.gz VPWGHRVKJSYVET-UHFFFAOYSA-N -1 3 396.277 3.483 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCCC3)O2)c(Cl)c1 ZINC000480899616 567641242 /nfs/dbraw/zinc/64/12/42/567641242.db2.gz PUCNWRRTSLQSHO-ZDUSSCGKSA-N -1 3 388.873 3.408 20 5 GGBDHM C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000481219888 567663653 /nfs/dbraw/zinc/66/36/53/567663653.db2.gz HNGMQSGLECJYQN-VHSXEESVSA-N -1 3 377.260 3.072 20 5 GGBDHM CS(=O)(=O)c1cc(C(=O)[N-]c2cc(Cl)cc(F)c2F)cc([N+](=O)[O-])c1 ZINC000441612887 567671405 /nfs/dbraw/zinc/67/14/05/567671405.db2.gz PWESPGVREQURNV-UHFFFAOYSA-N -1 3 390.751 3.182 20 5 GGBDHM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000507892912 567713404 /nfs/dbraw/zinc/71/34/04/567713404.db2.gz WPQPTTVDSDQZRX-SECBINFHSA-N -1 3 377.260 3.214 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]Cc2sccc2Br)c([N+](=O)[O-])c1 ZINC000507956500 567718995 /nfs/dbraw/zinc/71/89/95/567718995.db2.gz QNFVTSWSVQLAMG-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(C2CC2)C2CC2)c(Br)c1 ZINC000532615443 567724802 /nfs/dbraw/zinc/72/48/02/567724802.db2.gz WROYWUSEELVDBK-UHFFFAOYSA-N -1 3 389.271 3.072 20 5 GGBDHM COC(=O)c1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000508113654 567730672 /nfs/dbraw/zinc/73/06/72/567730672.db2.gz VPLIJNSVXAHRGX-UHFFFAOYSA-N -1 3 384.797 3.144 20 5 GGBDHM Cc1ccc([N+](=O)[O-])c(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000443896569 567779402 /nfs/dbraw/zinc/77/94/02/567779402.db2.gz MEQISAUJKCSCFG-UHFFFAOYSA-N -1 3 375.859 3.009 20 5 GGBDHM CC(C)CSCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000533697398 567782922 /nfs/dbraw/zinc/78/29/22/567782922.db2.gz NVNNGKVKFGZEQY-UHFFFAOYSA-N -1 3 386.417 3.281 20 5 GGBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000534639021 567815331 /nfs/dbraw/zinc/81/53/31/567815331.db2.gz SEBWEMRQKNWLHM-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM O=[N+]([O-])c1ccc(CCCCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000738358994 598854600 /nfs/dbraw/zinc/85/46/00/598854600.db2.gz HVJRQEPVZRLAJK-UHFFFAOYSA-N -1 3 383.368 3.118 20 5 GGBDHM O=[N+]([O-])c1ccc(CCCCNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000738358994 598854602 /nfs/dbraw/zinc/85/46/02/598854602.db2.gz HVJRQEPVZRLAJK-UHFFFAOYSA-N -1 3 383.368 3.118 20 5 GGBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737801999 598913210 /nfs/dbraw/zinc/91/32/10/598913210.db2.gz OGIACKOIKJGFNR-SOFGYWHQSA-N -1 3 385.767 3.185 20 5 GGBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000737801999 598913211 /nfs/dbraw/zinc/91/32/11/598913211.db2.gz OGIACKOIKJGFNR-SOFGYWHQSA-N -1 3 385.767 3.185 20 5 GGBDHM COc1cc(F)c([C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1OC ZINC000737053728 598914091 /nfs/dbraw/zinc/91/40/91/598914091.db2.gz LCSCMVUDQWBPAS-VIFPVBQESA-N -1 3 388.359 3.104 20 5 GGBDHM COc1cc(F)c([C@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1OC ZINC000737053728 598914092 /nfs/dbraw/zinc/91/40/92/598914092.db2.gz LCSCMVUDQWBPAS-VIFPVBQESA-N -1 3 388.359 3.104 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](c1ccccc1)C1CCOCC1 ZINC000738357656 599061555 /nfs/dbraw/zinc/06/15/55/599061555.db2.gz HQYGKCKIDVECPS-GOSISDBHSA-N -1 3 380.408 3.355 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](c1ccccc1)C1CCOCC1 ZINC000738357656 599061557 /nfs/dbraw/zinc/06/15/57/599061557.db2.gz HQYGKCKIDVECPS-GOSISDBHSA-N -1 3 380.408 3.355 20 5 GGBDHM C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736194301 599065286 /nfs/dbraw/zinc/06/52/86/599065286.db2.gz ZMZJWRUSLWDGAD-SECBINFHSA-N -1 3 388.384 3.033 20 5 GGBDHM C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736194301 599065289 /nfs/dbraw/zinc/06/52/89/599065289.db2.gz ZMZJWRUSLWDGAD-SECBINFHSA-N -1 3 388.384 3.033 20 5 GGBDHM O=[N+]([O-])c1ccc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3F)n2)cc1 ZINC000738359832 599067172 /nfs/dbraw/zinc/06/71/72/599067172.db2.gz OCRPPOZGPKUXSK-UHFFFAOYSA-N -1 3 399.367 3.256 20 5 GGBDHM O=[N+]([O-])c1ccc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3F)n2)cc1 ZINC000738359832 599067175 /nfs/dbraw/zinc/06/71/75/599067175.db2.gz OCRPPOZGPKUXSK-UHFFFAOYSA-N -1 3 399.367 3.256 20 5 GGBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000822220633 599149058 /nfs/dbraw/zinc/14/90/58/599149058.db2.gz ZNHGTUQVMXCUFC-UHFFFAOYSA-N -1 3 392.297 3.354 20 5 GGBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000822220633 599149061 /nfs/dbraw/zinc/14/90/61/599149061.db2.gz ZNHGTUQVMXCUFC-UHFFFAOYSA-N -1 3 392.297 3.354 20 5 GGBDHM CC(C)(C)c1ccc([C@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735648872 599170537 /nfs/dbraw/zinc/17/05/37/599170537.db2.gz IETTXTIAGJMKLF-QGZVFWFLSA-N -1 3 382.424 3.218 20 5 GGBDHM CC(C)(C)c1ccc([C@H](O)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735648872 599170540 /nfs/dbraw/zinc/17/05/40/599170540.db2.gz IETTXTIAGJMKLF-QGZVFWFLSA-N -1 3 382.424 3.218 20 5 GGBDHM CN(Cc1cccc(Cl)c1Cl)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821613333 599212803 /nfs/dbraw/zinc/21/28/03/599212803.db2.gz INHYOMCOPSZLKY-UHFFFAOYSA-N -1 3 380.195 3.113 20 5 GGBDHM CN(Cc1cccc(Cl)c1Cl)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821613333 599212805 /nfs/dbraw/zinc/21/28/05/599212805.db2.gz INHYOMCOPSZLKY-UHFFFAOYSA-N -1 3 380.195 3.113 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCOc4ccccc43)cc(-c3nnn[n-]3)c2c1 ZINC000738367559 599260687 /nfs/dbraw/zinc/26/06/87/599260687.db2.gz VQUBOKBUMNFKGA-INIZCTEOSA-N -1 3 389.375 3.259 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCOc4ccccc43)cc(-c3nn[n-]n3)c2c1 ZINC000738367559 599260689 /nfs/dbraw/zinc/26/06/89/599260689.db2.gz VQUBOKBUMNFKGA-INIZCTEOSA-N -1 3 389.375 3.259 20 5 GGBDHM COc1ccc(C)cc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737077054 599270847 /nfs/dbraw/zinc/27/08/47/599270847.db2.gz MGCIBPQLAISANS-UHFFFAOYSA-N -1 3 391.391 3.252 20 5 GGBDHM COc1ccc(C)cc1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000737077054 599270850 /nfs/dbraw/zinc/27/08/50/599270850.db2.gz MGCIBPQLAISANS-UHFFFAOYSA-N -1 3 391.391 3.252 20 5 GGBDHM Cc1cccc(C2(CNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CCCC2)c1 ZINC000737387964 598395565 /nfs/dbraw/zinc/39/55/65/598395565.db2.gz CKBGPAVCYZEZHH-UHFFFAOYSA-N -1 3 379.424 3.402 20 5 GGBDHM Cc1cccc(C2(CNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CCCC2)c1 ZINC000737387964 598395566 /nfs/dbraw/zinc/39/55/66/598395566.db2.gz CKBGPAVCYZEZHH-UHFFFAOYSA-N -1 3 379.424 3.402 20 5 GGBDHM C[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160952 598484612 /nfs/dbraw/zinc/48/46/12/598484612.db2.gz UHDJYESBKYCOBJ-JTQLQIEISA-N -1 3 378.348 3.174 20 5 GGBDHM C[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160952 598484613 /nfs/dbraw/zinc/48/46/13/598484613.db2.gz UHDJYESBKYCOBJ-JTQLQIEISA-N -1 3 378.348 3.174 20 5 GGBDHM CCNc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000736584607 598488338 /nfs/dbraw/zinc/48/83/38/598488338.db2.gz VFKHEXFLLIRNFV-UHFFFAOYSA-N -1 3 398.427 3.016 20 5 GGBDHM CCNc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000736584607 598488340 /nfs/dbraw/zinc/48/83/40/598488340.db2.gz VFKHEXFLLIRNFV-UHFFFAOYSA-N -1 3 398.427 3.016 20 5 GGBDHM CSc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737193877 598489568 /nfs/dbraw/zinc/48/95/68/598489568.db2.gz YNVHYBZORZENBX-SNVBAGLBSA-N -1 3 385.405 3.415 20 5 GGBDHM 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O=C(Oc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000823444426 606779281 /nfs/dbraw/zinc/77/92/81/606779281.db2.gz MPXMUMCWEBUKDP-UHFFFAOYSA-N -1 3 388.343 3.056 20 5 GGBDHM CC[C@H](C)Oc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820875692 606801005 /nfs/dbraw/zinc/80/10/05/606801005.db2.gz CMQCHHHYWMHWRF-LBPRGKRZSA-N -1 3 383.412 3.268 20 5 GGBDHM CC[C@H](C)Oc1cc(C)ccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820875692 606801007 /nfs/dbraw/zinc/80/10/07/606801007.db2.gz CMQCHHHYWMHWRF-LBPRGKRZSA-N -1 3 383.412 3.268 20 5 GGBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000822220647 606834917 /nfs/dbraw/zinc/83/49/17/606834917.db2.gz ZWQAPEQDFFBQLB-UHFFFAOYSA-N -1 3 387.787 3.058 20 5 GGBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000822220647 606834919 /nfs/dbraw/zinc/83/49/19/606834919.db2.gz ZWQAPEQDFFBQLB-UHFFFAOYSA-N -1 3 387.787 3.058 20 5 GGBDHM CCOC(=O)c1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000821337770 606920313 /nfs/dbraw/zinc/92/03/13/606920313.db2.gz NJGSOSNLXNLIFR-NSHDSACASA-N -1 3 382.380 3.125 20 5 GGBDHM CCOC(=O)c1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000821337770 606920314 /nfs/dbraw/zinc/92/03/14/606920314.db2.gz NJGSOSNLXNLIFR-NSHDSACASA-N -1 3 382.380 3.125 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCCC(F)(F)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645955 607131812 /nfs/dbraw/zinc/13/18/12/607131812.db2.gz XQHCQQHCMSBONK-VIFPVBQESA-N -1 3 375.339 3.313 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCCC(F)(F)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645955 607131813 /nfs/dbraw/zinc/13/18/13/607131813.db2.gz XQHCQQHCMSBONK-VIFPVBQESA-N -1 3 375.339 3.313 20 5 GGBDHM O=[N+]([O-])c1ccc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)c(-c2nnn[n-]2)c1 ZINC000826498245 607849828 /nfs/dbraw/zinc/84/98/28/607849828.db2.gz MQFFHDGCIQLDPM-MRXNPFEDSA-N -1 3 398.398 3.100 20 5 GGBDHM O=[N+]([O-])c1ccc(N(Cc2cccc(F)c2)C[C@H]2CCCO2)c(-c2nn[n-]n2)c1 ZINC000826498245 607849829 /nfs/dbraw/zinc/84/98/29/607849829.db2.gz MQFFHDGCIQLDPM-MRXNPFEDSA-N -1 3 398.398 3.100 20 5 GGBDHM Cc1cccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1[N+](=O)[O-] ZINC000826299926 607862892 /nfs/dbraw/zinc/86/28/92/607862892.db2.gz BEOHPSNHTSVEPR-UHFFFAOYSA-N -1 3 377.307 3.264 20 5 GGBDHM Cc1cccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1[N+](=O)[O-] ZINC000826299926 607862893 /nfs/dbraw/zinc/86/28/93/607862893.db2.gz BEOHPSNHTSVEPR-UHFFFAOYSA-N -1 3 377.307 3.264 20 5 GGBDHM CCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385387 607879040 /nfs/dbraw/zinc/87/90/40/607879040.db2.gz DRRCJLHBEYYAGE-UHFFFAOYSA-N -1 3 386.799 3.403 20 5 GGBDHM CCN(C(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385387 607879041 /nfs/dbraw/zinc/87/90/41/607879041.db2.gz DRRCJLHBEYYAGE-UHFFFAOYSA-N -1 3 386.799 3.403 20 5 GGBDHM Cn1c2ccc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])cc2nc1C(C)(C)C ZINC000826355301 608018604 /nfs/dbraw/zinc/01/86/04/608018604.db2.gz SKRMIGPVOCNFNG-UHFFFAOYSA-N -1 3 393.411 3.098 20 5 GGBDHM Cn1c2ccc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])cc2nc1C(C)(C)C ZINC000826355301 608018605 /nfs/dbraw/zinc/01/86/05/608018605.db2.gz SKRMIGPVOCNFNG-UHFFFAOYSA-N -1 3 393.411 3.098 20 5 GGBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825673816 608115514 /nfs/dbraw/zinc/11/55/14/608115514.db2.gz CXXQGRQFPFPOLU-LLVKDONJSA-N -1 3 398.448 3.378 20 5 GGBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825673816 608115515 /nfs/dbraw/zinc/11/55/15/608115515.db2.gz CXXQGRQFPFPOLU-LLVKDONJSA-N -1 3 398.448 3.378 20 5 GGBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826277759 608119154 /nfs/dbraw/zinc/11/91/54/608119154.db2.gz FZOGQURBTWJGEA-UHFFFAOYSA-N -1 3 393.407 3.280 20 5 GGBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826277759 608119155 /nfs/dbraw/zinc/11/91/55/608119155.db2.gz FZOGQURBTWJGEA-UHFFFAOYSA-N -1 3 393.407 3.280 20 5 GGBDHM Cc1c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cccc1-c1nnn[n-]1 ZINC000826241405 608119693 /nfs/dbraw/zinc/11/96/93/608119693.db2.gz CFZNYPOKQMRNNI-UHFFFAOYSA-N -1 3 393.407 3.280 20 5 GGBDHM Cc1c(NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cccc1-c1nn[n-]n1 ZINC000826241405 608119694 /nfs/dbraw/zinc/11/96/94/608119694.db2.gz CFZNYPOKQMRNNI-UHFFFAOYSA-N -1 3 393.407 3.280 20 5 GGBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000826450185 608160517 /nfs/dbraw/zinc/16/05/17/608160517.db2.gz ACYXPUPQOKITEI-WCQYABFASA-N -1 3 398.810 3.246 20 5 GGBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000826450185 608160518 /nfs/dbraw/zinc/16/05/18/608160518.db2.gz ACYXPUPQOKITEI-WCQYABFASA-N -1 3 398.810 3.246 20 5 GGBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C(F)(F)c1ccccc1 ZINC000826450201 608161740 /nfs/dbraw/zinc/16/17/40/608161740.db2.gz ASLBLSZVEMWMQN-UHFFFAOYSA-N -1 3 394.725 3.159 20 5 GGBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C(F)(F)c1ccccc1 ZINC000826450201 608161742 /nfs/dbraw/zinc/16/17/42/608161742.db2.gz ASLBLSZVEMWMQN-UHFFFAOYSA-N -1 3 394.725 3.159 20 5 GGBDHM O=C(CCCC(F)(F)F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826405503 608162039 /nfs/dbraw/zinc/16/20/39/608162039.db2.gz IGNBMXDICHGUBL-UHFFFAOYSA-N -1 3 378.698 3.099 20 5 GGBDHM O=C(CCCC(F)(F)F)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826405503 608162040 /nfs/dbraw/zinc/16/20/40/608162040.db2.gz IGNBMXDICHGUBL-UHFFFAOYSA-N -1 3 378.698 3.099 20 5 GGBDHM COC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000826152024 608798728 /nfs/dbraw/zinc/79/87/28/608798728.db2.gz ONQSYARAJXWXRC-KRWDZBQOSA-N -1 3 391.391 3.123 20 5 GGBDHM COC[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000826152024 608798732 /nfs/dbraw/zinc/79/87/32/608798732.db2.gz ONQSYARAJXWXRC-KRWDZBQOSA-N -1 3 391.391 3.123 20 5 GGBDHM Cc1cc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826269128 609244201 /nfs/dbraw/zinc/24/42/01/609244201.db2.gz AZNZKWJZFXLUMJ-UHFFFAOYSA-N -1 3 396.407 3.271 20 5 GGBDHM Cc1cc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826269128 609244203 /nfs/dbraw/zinc/24/42/03/609244203.db2.gz AZNZKWJZFXLUMJ-UHFFFAOYSA-N -1 3 396.407 3.271 20 5 GGBDHM COc1cc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)ccc1[N+](=O)[O-] ZINC000826179902 609418885 /nfs/dbraw/zinc/41/88/85/609418885.db2.gz KAUIBFMTKPJKGU-UHFFFAOYSA-N -1 3 398.448 3.350 20 5 GGBDHM COc1cc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)ccc1[N+](=O)[O-] ZINC000826179902 609418887 /nfs/dbraw/zinc/41/88/87/609418887.db2.gz KAUIBFMTKPJKGU-UHFFFAOYSA-N -1 3 398.448 3.350 20 5 GGBDHM COc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc(OC)c1C(C)C ZINC000826181221 609437765 /nfs/dbraw/zinc/43/77/65/609437765.db2.gz QCTKEMWSKOVKAG-UHFFFAOYSA-N -1 3 385.384 3.054 20 5 GGBDHM COc1cc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc(OC)c1C(C)C ZINC000826181221 609437768 /nfs/dbraw/zinc/43/77/68/609437768.db2.gz QCTKEMWSKOVKAG-UHFFFAOYSA-N -1 3 385.384 3.054 20 5 GGBDHM CCN(C(=O)C=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825367181 609501553 /nfs/dbraw/zinc/50/15/53/609501553.db2.gz KKABYWWFQJSXPE-SEYXRHQNSA-N -1 3 378.392 3.231 20 5 GGBDHM CCN(C(=O)C=C(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825367181 609501556 /nfs/dbraw/zinc/50/15/56/609501556.db2.gz KKABYWWFQJSXPE-SEYXRHQNSA-N -1 3 378.392 3.231 20 5 GGBDHM CC(=CC(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943481 609503980 /nfs/dbraw/zinc/50/39/80/609503980.db2.gz PVGGPZFCYHDIBS-HHQWOOOKSA-N -1 3 379.376 3.483 20 5 GGBDHM CC(=CC(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000823943481 609503982 /nfs/dbraw/zinc/50/39/82/609503982.db2.gz PVGGPZFCYHDIBS-HHQWOOOKSA-N -1 3 379.376 3.483 20 5 GGBDHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826465591 609616750 /nfs/dbraw/zinc/61/67/50/609616750.db2.gz TXXNGHBEWBKXAQ-UHFFFAOYSA-N -1 3 394.174 3.439 20 5 GGBDHM O=C(OCc1ccc(Cl)cc1-c1nn[n-]n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000826465591 609616751 /nfs/dbraw/zinc/61/67/51/609616751.db2.gz TXXNGHBEWBKXAQ-UHFFFAOYSA-N -1 3 394.174 3.439 20 5 GGBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC[C@H](C)CO)c([N+](=O)[O-])c2)c(C)c1 ZINC000053584126 1406452930 /nfs/dbraw/zinc/45/29/30/1406452930.db2.gz HISANQJIJCTBGI-ZDUSSCGKSA-N -1 3 393.465 3.053 20 5 GGBDHM COCCN(C)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000054124764 1406625815 /nfs/dbraw/zinc/62/58/15/1406625815.db2.gz CYAMBXDJXSCJPM-UHFFFAOYSA-N -1 3 393.465 3.095 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3)C2)c(Cl)c1 ZINC000054980021 1406864317 /nfs/dbraw/zinc/86/43/17/1406864317.db2.gz PUUHKKZYOYAKPD-ZDUSSCGKSA-N -1 3 395.868 3.053 20 5 GGBDHM O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000010322290 1398886362 /nfs/dbraw/zinc/88/63/62/1398886362.db2.gz WXODNKMPDNBRSX-UHFFFAOYSA-N -1 3 375.344 3.262 20 5 GGBDHM O=C(COC(=O)c1cc(Cl)c(Cl)[n-]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000011808921 1399012823 /nfs/dbraw/zinc/01/28/23/1399012823.db2.gz LNLHTVDDWKWXRN-UHFFFAOYSA-N -1 3 376.127 3.164 20 5 GGBDHM CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(OC)c1 ZINC000022700948 1399493042 /nfs/dbraw/zinc/49/30/42/1399493042.db2.gz KHRNLGNTXVCFRN-SFHVURJKSA-N -1 3 387.436 3.122 20 5 GGBDHM COc1cc([C@H]2Nc3ccccc3C(=O)N2CC(F)(F)F)c([N+](=O)[O-])cc1[O-] ZINC000028660041 1400182038 /nfs/dbraw/zinc/18/20/38/1400182038.db2.gz FMXFTUOICQDTLT-HNNXBMFYSA-N -1 3 397.309 3.438 20 5 GGBDHM CC[C@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000056079803 1407195172 /nfs/dbraw/zinc/19/51/72/1407195172.db2.gz NECWWEJBVZIIQG-ZDUSSCGKSA-N -1 3 391.449 3.058 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@H]2CCCO2)c(F)c1 ZINC000056137556 1407221533 /nfs/dbraw/zinc/22/15/33/1407221533.db2.gz LEUNSJLLSAKYCX-NVXWUHKLSA-N -1 3 398.387 3.072 20 5 GGBDHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000044260231 1403910343 /nfs/dbraw/zinc/91/03/43/1403910343.db2.gz IRAYUEPZSOFRRE-UHFFFAOYSA-N -1 3 381.385 3.110 20 5 GGBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2)n1 ZINC000049302024 1405362118 /nfs/dbraw/zinc/36/21/18/1405362118.db2.gz XGOACVRROFPNHA-UHFFFAOYSA-N -1 3 378.388 3.468 20 5 GGBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050603404 1405611118 /nfs/dbraw/zinc/61/11/18/1405611118.db2.gz JWYBYPHCTROPCY-UHFFFAOYSA-N -1 3 384.299 3.108 20 5 GGBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000050603404 1405611128 /nfs/dbraw/zinc/61/11/28/1405611128.db2.gz JWYBYPHCTROPCY-UHFFFAOYSA-N -1 3 384.299 3.108 20 5 GGBDHM O=[N+]([O-])c1ccc(CN(CCCOc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000826498106 1427556509 /nfs/dbraw/zinc/55/65/09/1427556509.db2.gz HSENTGCBSOZFNV-UHFFFAOYSA-N -1 3 394.435 3.208 20 5 GGBDHM O=[N+]([O-])c1ccc(CN(CCCOc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000826498106 1427556515 /nfs/dbraw/zinc/55/65/15/1427556515.db2.gz HSENTGCBSOZFNV-UHFFFAOYSA-N -1 3 394.435 3.208 20 5 GGBDHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nnn1-c1ccc2ncccc2c1 ZINC000066756216 1408902155 /nfs/dbraw/zinc/90/21/55/1408902155.db2.gz IZIKLQQLORODCZ-UHFFFAOYSA-N -1 3 392.350 3.424 20 5 GGBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3C)c2)n1 ZINC000067054403 1408993696 /nfs/dbraw/zinc/99/36/96/1408993696.db2.gz GAKHOUPTHSZEAR-UHFFFAOYSA-N -1 3 378.388 3.468 20 5 GGBDHM CCCCCc1nnc([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)s1 ZINC000067135521 1409017904 /nfs/dbraw/zinc/01/79/04/1409017904.db2.gz ORVXKARVTJRNAL-UHFFFAOYSA-N -1 3 387.425 3.012 20 5 GGBDHM CC(C)COC[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000101576934 1410471098 /nfs/dbraw/zinc/47/10/98/1410471098.db2.gz QDBLOKLPIVXWJN-MRXNPFEDSA-N -1 3 382.438 3.021 20 5 GGBDHM CC(C)(C)OCc1cccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000101927217 1410527850 /nfs/dbraw/zinc/52/78/50/1410527850.db2.gz GCTYAHQQWVYTLI-UHFFFAOYSA-N -1 3 378.450 3.388 20 5 GGBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000103202200 1410837457 /nfs/dbraw/zinc/83/74/57/1410837457.db2.gz QDVBJAGYYKUUGJ-UHFFFAOYSA-N -1 3 388.727 3.194 20 5 GGBDHM O=C(CCCc1ccccc1)[N-]OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104054048 1410883139 /nfs/dbraw/zinc/88/31/39/1410883139.db2.gz SMJWKODLJSROJF-UHFFFAOYSA-N -1 3 391.811 3.257 20 5 GGBDHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000105550432 1411083328 /nfs/dbraw/zinc/08/33/28/1411083328.db2.gz FJTUPHFIIXDKMX-GOSISDBHSA-N -1 3 392.433 3.042 20 5 GGBDHM COc1cccc(Cc2nnc([N-]C(=O)c3cc([N+](=O)[O-])cnc3C)s2)c1 ZINC000107177614 1411347703 /nfs/dbraw/zinc/34/77/03/1411347703.db2.gz NJMBWGAOOPBUOE-UHFFFAOYSA-N -1 3 385.405 3.001 20 5 GGBDHM Cc1ccc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000108153067 1411443805 /nfs/dbraw/zinc/44/38/05/1411443805.db2.gz CLPGSYGEAFYAAS-UHFFFAOYSA-N -1 3 376.362 3.213 20 5 GGBDHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nnn1-c1cccc2cnccc21 ZINC000108678699 1411569662 /nfs/dbraw/zinc/56/96/62/1411569662.db2.gz HEEJHGOAZQPJRR-UHFFFAOYSA-N -1 3 392.350 3.424 20 5 GGBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000108722140 1411585161 /nfs/dbraw/zinc/58/51/61/1411585161.db2.gz LXTYQADNZKBCJS-UHFFFAOYSA-N -1 3 379.825 3.468 20 5 GGBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000110122434 1411832229 /nfs/dbraw/zinc/83/22/29/1411832229.db2.gz RUXKYXQMMFKRKZ-UHFFFAOYSA-N -1 3 379.413 3.443 20 5 GGBDHM C[C@H](O[N-]C(=O)Cc1cccc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000112627816 1412180428 /nfs/dbraw/zinc/18/04/28/1412180428.db2.gz VRHCSJKUHYRULD-AWEZNQCLSA-N -1 3 393.399 3.366 20 5 GGBDHM Nc1c(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)cc(F)cc1[N+](=O)[O-] ZINC000112727731 1412204750 /nfs/dbraw/zinc/20/47/50/1412204750.db2.gz WBBLGNDALTXKNB-UHFFFAOYSA-N -1 3 377.332 3.226 20 5 GGBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000114054102 1412377790 /nfs/dbraw/zinc/37/77/90/1412377790.db2.gz HBKJTSWJHTYCMP-UHFFFAOYSA-N -1 3 383.857 3.419 20 5 GGBDHM O=C(Nc1cccc(C[S@](=O)c2ccccc2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000115723901 1412774124 /nfs/dbraw/zinc/77/41/24/1412774124.db2.gz AJXQGPAYKNKVNJ-MUUNZHRXSA-N -1 3 397.412 3.256 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(N2CCCC2)c1 ZINC000119130818 1413350233 /nfs/dbraw/zinc/35/02/33/1413350233.db2.gz GHIIVUYKYKWUHA-CYBMUJFWSA-N -1 3 393.440 3.374 20 5 GGBDHM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000119459770 1413454506 /nfs/dbraw/zinc/45/45/06/1413454506.db2.gz KIJRTEUPKGPUCE-JTQLQIEISA-N -1 3 395.462 3.044 20 5 GGBDHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120057856 1413670468 /nfs/dbraw/zinc/67/04/68/1413670468.db2.gz QAKULUGKKRQMRL-UHFFFAOYSA-N -1 3 381.479 3.361 20 5 GGBDHM Cc1csc([C@H]([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000120941002 1413954833 /nfs/dbraw/zinc/95/48/33/1413954833.db2.gz LMNIJOHAEJJBSL-CQSZACIVSA-N -1 3 385.442 3.237 20 5 GGBDHM C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000122718716 1414547901 /nfs/dbraw/zinc/54/79/01/1414547901.db2.gz QNFXAXXGZSYIEC-IAQYHMDHSA-N -1 3 384.841 3.039 20 5 GGBDHM C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000124750731 1415036376 /nfs/dbraw/zinc/03/63/76/1415036376.db2.gz PFIVYGRTZMRPOH-TZMCWYRMSA-N -1 3 398.868 3.081 20 5 GGBDHM C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000128904082 1416097372 /nfs/dbraw/zinc/09/73/72/1416097372.db2.gz AXHKDXOGZIVSPS-JSGCOSHPSA-N -1 3 398.868 3.081 20 5 GGBDHM COc1cc(C=Cc2nccc(=O)[n-]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000131805928 1416625625 /nfs/dbraw/zinc/62/56/25/1416625625.db2.gz FEVDXQDKIXRGCW-WEVVVXLNSA-N -1 3 379.372 3.436 20 5 GGBDHM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(Br)n1 ZINC000135242568 1417194590 /nfs/dbraw/zinc/19/45/90/1417194590.db2.gz RVLBFDZJLYUNDX-UHFFFAOYSA-N -1 3 386.227 3.170 20 5 GGBDHM CCOc1ccc([C@@H](C)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825632268 1429170428 /nfs/dbraw/zinc/17/04/28/1429170428.db2.gz NOEGJNLRNXPBLD-GFCCVEGCSA-N -1 3 398.423 3.033 20 5 GGBDHM CCOc1ccc([C@@H](C)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825632268 1429170434 /nfs/dbraw/zinc/17/04/34/1429170434.db2.gz NOEGJNLRNXPBLD-GFCCVEGCSA-N -1 3 398.423 3.033 20 5 GGBDHM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Br)n1 ZINC000178798136 1429173096 /nfs/dbraw/zinc/17/30/96/1429173096.db2.gz GISCCFJTIBSDIK-UHFFFAOYSA-N -1 3 386.227 3.170 20 5 GGBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H](C)CCO)c([N+](=O)[O-])c2)c(C)c1 ZINC000150867325 1417824170 /nfs/dbraw/zinc/82/41/70/1417824170.db2.gz JBLYMUVZVGYQNR-CQSZACIVSA-N -1 3 393.465 3.195 20 5 GGBDHM O=[N+]([O-])c1cccc(CN(Cc2cn3ccccc3c2-c2nn[n-]n2)C2CC2)c1 ZINC000823647485 1429404227 /nfs/dbraw/zinc/40/42/27/1429404227.db2.gz KWPVPCYVKCSACR-UHFFFAOYSA-N -1 3 389.419 3.192 20 5 GGBDHM O=[N+]([O-])c1cccc(CN(Cc2cn3ccccc3c2-c2nnn[n-]2)C2CC2)c1 ZINC000823647485 1429404231 /nfs/dbraw/zinc/40/42/31/1429404231.db2.gz KWPVPCYVKCSACR-UHFFFAOYSA-N -1 3 389.419 3.192 20 5 GGBDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000152735319 1422230126 /nfs/dbraw/zinc/23/01/26/1422230126.db2.gz DDGAGQZBSMOCTO-SFHVURJKSA-N -1 3 388.401 3.264 20 5 GGBDHM O=C(Nc1ccc(Cl)cc1[O-])[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000153513242 1422578943 /nfs/dbraw/zinc/57/89/43/1422578943.db2.gz HNXBCTDSRKUTQH-LLVKDONJSA-N -1 3 395.824 3.259 20 5 GGBDHM O=C(Nc1ccc(Cl)cc1[O-])[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000153513167 1422579045 /nfs/dbraw/zinc/57/90/45/1422579045.db2.gz HNXBCTDSRKUTQH-NSHDSACASA-N -1 3 395.824 3.259 20 5 GGBDHM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000154221018 1422857531 /nfs/dbraw/zinc/85/75/31/1422857531.db2.gz PUNCKKFIMOXRTF-JTQLQIEISA-N -1 3 395.437 3.253 20 5 GGBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(OC)c3)c2)n1 ZINC000154322524 1422872553 /nfs/dbraw/zinc/87/25/53/1422872553.db2.gz CEVHRJRESGBXGU-UHFFFAOYSA-N -1 3 394.387 3.168 20 5 GGBDHM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000156456319 1423812739 /nfs/dbraw/zinc/81/27/39/1423812739.db2.gz MJWDZTNGWWFSMC-UHFFFAOYSA-N -1 3 384.417 3.036 20 5 GGBDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156540333 1423825131 /nfs/dbraw/zinc/82/51/31/1423825131.db2.gz BBKIHGPPSAIQJV-UHFFFAOYSA-N -1 3 394.225 3.059 20 5 GGBDHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000158154515 1424180949 /nfs/dbraw/zinc/18/09/49/1424180949.db2.gz SUKZXKBDVCJBNO-CABZTGNLSA-N -1 3 390.870 3.100 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOC2CCCC2)c(C(F)(F)F)c1 ZINC000163163202 1424951856 /nfs/dbraw/zinc/95/18/56/1424951856.db2.gz SHNOPOBTQBVLOR-UHFFFAOYSA-N -1 3 396.387 3.241 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000163401854 1424991676 /nfs/dbraw/zinc/99/16/76/1424991676.db2.gz CTBMGWJHHCVOPP-XJKSGUPXSA-N -1 3 396.852 3.447 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000163399436 1424991841 /nfs/dbraw/zinc/99/18/41/1424991841.db2.gz FDTWMAUHTBNOSA-GOEBONIOSA-N -1 3 396.852 3.447 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)c(Cl)c1 ZINC000163401653 1424992252 /nfs/dbraw/zinc/99/22/52/1424992252.db2.gz CTBMGWJHHCVOPP-CZUORRHYSA-N -1 3 396.852 3.447 20 5 GGBDHM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCN(CCCc2ccccc2)CC1 ZINC000164468918 1425115116 /nfs/dbraw/zinc/11/51/16/1425115116.db2.gz JJEWFPUKHZHRLE-UHFFFAOYSA-N -1 3 383.448 3.081 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)c(Cl)c1 ZINC000171041484 1425451445 /nfs/dbraw/zinc/45/14/45/1425451445.db2.gz CJNCIHUDTADOCZ-DOTOQJQBSA-N -1 3 396.852 3.447 20 5 GGBDHM COC(=O)c1cc([N-]C(=O)c2cc(F)c(Cl)nc2Cl)cc([N+](=O)[O-])c1 ZINC000175216581 1427608582 /nfs/dbraw/zinc/60/85/82/1427608582.db2.gz LHOMBZKBTKYPNP-UHFFFAOYSA-N -1 3 388.138 3.475 20 5 GGBDHM Cc1cc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826268963 1430015850 /nfs/dbraw/zinc/01/58/50/1430015850.db2.gz VIDJAVRYDDLYPF-UHFFFAOYSA-N -1 3 375.392 3.268 20 5 GGBDHM Cc1cc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826268963 1430015851 /nfs/dbraw/zinc/01/58/51/1430015851.db2.gz VIDJAVRYDDLYPF-UHFFFAOYSA-N -1 3 375.392 3.268 20 5 GGBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)c1 ZINC000180882083 1430086830 /nfs/dbraw/zinc/08/68/30/1430086830.db2.gz HPMMXOLRXMDEIC-UHFFFAOYSA-N -1 3 387.396 3.417 20 5 GGBDHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181415208 1430292594 /nfs/dbraw/zinc/29/25/94/1430292594.db2.gz OBWUKRYJSWSGIY-UHFFFAOYSA-N -1 3 393.281 3.373 20 5 GGBDHM COc1ccc(N[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1[N-]S(C)(=O)=O ZINC000182730263 1430528485 /nfs/dbraw/zinc/52/84/85/1430528485.db2.gz YKKMCSFMIQFKKI-GFCCVEGCSA-N -1 3 379.438 3.456 20 5 GGBDHM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C(C)(C)O1 ZINC000183305616 1430674203 /nfs/dbraw/zinc/67/42/03/1430674203.db2.gz SDSOCWCBRDCOAG-GFCCVEGCSA-N -1 3 396.387 3.238 20 5 GGBDHM CC(C)(c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2N)s1)c1ccccc1 ZINC000184430465 1430887144 /nfs/dbraw/zinc/88/71/44/1430887144.db2.gz VMDJBGOHWKCMNB-UHFFFAOYSA-N -1 3 384.421 3.002 20 5 GGBDHM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000186009830 1431310839 /nfs/dbraw/zinc/31/08/39/1431310839.db2.gz CNVLXASBZYCKBU-LJQANCHMSA-N -1 3 399.428 3.066 20 5 GGBDHM Cc1c(C(=O)N2CC[C@H](C)c3cccc([O-])c32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000186315360 1431380071 /nfs/dbraw/zinc/38/00/71/1431380071.db2.gz WFYVJRRJAFIAEE-LBPRGKRZSA-N -1 3 393.403 3.344 20 5 GGBDHM CSc1cccc(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)c1[N+](=O)[O-] ZINC000188290135 1431869968 /nfs/dbraw/zinc/86/99/68/1431869968.db2.gz NLVVRQHHXFHMMH-UHFFFAOYSA-N -1 3 387.396 3.417 20 5 GGBDHM Cc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190805243 1432488280 /nfs/dbraw/zinc/48/82/80/1432488280.db2.gz OYZFFAVCDATDAN-UHFFFAOYSA-N -1 3 398.463 3.392 20 5 GGBDHM CCc1c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cnn1-c1ccccc1Cl ZINC000192124453 1432801867 /nfs/dbraw/zinc/80/18/67/1432801867.db2.gz XVCAQKFMGKQWNX-UHFFFAOYSA-N -1 3 387.783 3.349 20 5 GGBDHM O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193380467 1432987947 /nfs/dbraw/zinc/98/79/47/1432987947.db2.gz VIZSLCMIOHTSJU-UHFFFAOYSA-N -1 3 385.405 3.158 20 5 GGBDHM Nc1ccc([N+](=O)[O-])c(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1 ZINC000193388967 1432989113 /nfs/dbraw/zinc/98/91/13/1432989113.db2.gz FYPUKSHCBHYWAF-UHFFFAOYSA-N -1 3 390.827 3.391 20 5 GGBDHM O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193737155 1433049800 /nfs/dbraw/zinc/04/98/00/1433049800.db2.gz QCRBOPUMRQBTMG-UHFFFAOYSA-N -1 3 375.344 3.287 20 5 GGBDHM CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000194023149 1433102586 /nfs/dbraw/zinc/10/25/86/1433102586.db2.gz QNOJBEQVKFXIQL-UHFFFAOYSA-N -1 3 397.840 3.187 20 5 GGBDHM COc1cc(CNc2ccc(C(=O)NCC(F)(F)F)cc2)c([N+](=O)[O-])cc1[O-] ZINC000195110125 1433293585 /nfs/dbraw/zinc/29/35/85/1433293585.db2.gz DRBKPPFPKOFFNJ-UHFFFAOYSA-N -1 3 399.325 3.213 20 5 GGBDHM CCCCNC(=O)c1ccc(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1 ZINC000236798636 1433379091 /nfs/dbraw/zinc/37/90/91/1433379091.db2.gz ULUDIBSNLYJQFI-UHFFFAOYSA-N -1 3 387.436 3.129 20 5 GGBDHM COC(=O)N(C)Cc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000272843421 1434935464 /nfs/dbraw/zinc/93/54/64/1434935464.db2.gz NKGSJLMKCZXIIF-UHFFFAOYSA-N -1 3 399.450 3.002 20 5 GGBDHM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000274956554 1435106015 /nfs/dbraw/zinc/10/60/15/1435106015.db2.gz JSAOVSPCOWENIV-CHWSQXEVSA-N -1 3 398.419 3.066 20 5 GGBDHM COC(=O)c1cc([N-]C(=O)c2csc([C@@H]3CCCO3)n2)c(C)c([N+](=O)[O-])c1 ZINC000276723985 1435228076 /nfs/dbraw/zinc/22/80/76/1435228076.db2.gz BUVNTJWNCUUWTM-AWEZNQCLSA-N -1 3 391.405 3.250 20 5 GGBDHM CN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1c1ccc(Cl)cc1 ZINC000826029587 1443480999 /nfs/dbraw/zinc/48/09/99/1443480999.db2.gz UMILIOIGDGJIPR-IRXDYDNUSA-N -1 3 399.842 3.286 20 5 GGBDHM CCC[C@@H](NCc1ccc(OC)c(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825242359 1446476281 /nfs/dbraw/zinc/47/62/81/1446476281.db2.gz PCIVUTJNFXZIAN-QGZVFWFLSA-N -1 3 382.424 3.415 20 5 GGBDHM CCC[C@@H](NCc1ccc(OC)c(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC000825242359 1446476282 /nfs/dbraw/zinc/47/62/82/1446476282.db2.gz PCIVUTJNFXZIAN-QGZVFWFLSA-N -1 3 382.424 3.415 20 5 GGBDHM O=C(CSc1cccc(Cl)c1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000826421198 948267661 /nfs/dbraw/zinc/26/76/61/948267661.db2.gz WCJVQTDGAPSIBE-UHFFFAOYSA-N -1 3 375.797 3.403 20 5 GGBDHM O=C(CSc1cccc(Cl)c1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000826421198 948267669 /nfs/dbraw/zinc/26/76/69/948267669.db2.gz WCJVQTDGAPSIBE-UHFFFAOYSA-N -1 3 375.797 3.403 20 5 GGBDHM CC(C)c1cccc2c1CCN(Cc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])C2 ZINC001574420215 948793468 /nfs/dbraw/zinc/79/34/68/948793468.db2.gz QKKILVOPPWXSOD-UHFFFAOYSA-N -1 3 378.436 3.457 20 5 GGBDHM CC(C)c1cccc2c1CCN(Cc1ccc(-c3nn[n-]n3)cc1[N+](=O)[O-])C2 ZINC001574420215 948793478 /nfs/dbraw/zinc/79/34/78/948793478.db2.gz QKKILVOPPWXSOD-UHFFFAOYSA-N -1 3 378.436 3.457 20 5 GGBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001575502641 949028030 /nfs/dbraw/zinc/02/80/30/949028030.db2.gz HXEDUZNJSREKEN-LBPRGKRZSA-N -1 3 398.448 3.087 20 5 GGBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001575502641 949028040 /nfs/dbraw/zinc/02/80/40/949028040.db2.gz HXEDUZNJSREKEN-LBPRGKRZSA-N -1 3 398.448 3.087 20 5 GGBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001575502638 949029845 /nfs/dbraw/zinc/02/98/45/949029845.db2.gz HXEDUZNJSREKEN-GFCCVEGCSA-N -1 3 398.448 3.087 20 5 GGBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001575502638 949029870 /nfs/dbraw/zinc/02/98/70/949029870.db2.gz HXEDUZNJSREKEN-GFCCVEGCSA-N -1 3 398.448 3.087 20 5 GGBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001575514748 949177046 /nfs/dbraw/zinc/17/70/46/949177046.db2.gz YNWOZQRNHNXYIP-SNVBAGLBSA-N -1 3 386.799 3.262 20 5 GGBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001575514748 949177049 /nfs/dbraw/zinc/17/70/49/949177049.db2.gz YNWOZQRNHNXYIP-SNVBAGLBSA-N -1 3 386.799 3.262 20 5 GGBDHM C[C@@H](c1ccccc1)n1ccc([N-]c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])n1 ZINC001575516305 949201792 /nfs/dbraw/zinc/20/17/92/949201792.db2.gz OHURRIRULQJHKR-LBPRGKRZSA-N -1 3 376.380 3.324 20 5 GGBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001573887978 950853625 /nfs/dbraw/zinc/85/36/25/950853625.db2.gz MDGPJNFQJADOLF-GJZGRUSLSA-N -1 3 395.423 3.074 20 5 GGBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001573887978 950853647 /nfs/dbraw/zinc/85/36/47/950853647.db2.gz MDGPJNFQJADOLF-GJZGRUSLSA-N -1 3 395.423 3.074 20 5 GGBDHM C[C@H]1CC(=O)c2c1c(F)ccc2OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001575937523 950952268 /nfs/dbraw/zinc/95/22/68/950952268.db2.gz FOLADRNAYZLHDE-VIFPVBQESA-N -1 3 383.339 3.183 20 5 GGBDHM C[C@H]1CC(=O)c2c1c(F)ccc2OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001575937523 950952283 /nfs/dbraw/zinc/95/22/83/950952283.db2.gz FOLADRNAYZLHDE-VIFPVBQESA-N -1 3 383.339 3.183 20 5 GGBDHM C[C@@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])COCc1ccccc1 ZINC001575125055 952038515 /nfs/dbraw/zinc/03/85/15/952038515.db2.gz WZCCPUCBHSCTJE-LBPRGKRZSA-N -1 3 386.387 3.179 20 5 GGBDHM C[C@@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])COCc1ccccc1 ZINC001575125055 952038520 /nfs/dbraw/zinc/03/85/20/952038520.db2.gz WZCCPUCBHSCTJE-LBPRGKRZSA-N -1 3 386.387 3.179 20 5 GGBDHM O=C([O-])C1CC2(C1)CC[C@H](CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O2 ZINC001594904322 954661233 /nfs/dbraw/zinc/66/12/33/954661233.db2.gz CDMZZNHXMKGYPQ-RYCVTPFZSA-N -1 3 388.342 3.116 20 5 GGBDHM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@@]2(C)C(=O)[O-])cc1OC ZINC001589458862 954855225 /nfs/dbraw/zinc/85/52/25/954855225.db2.gz NUTWVBVXZKAWOX-YJYMSZOUSA-N -1 3 380.441 3.467 20 5 GGBDHM COC[C@H](NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000417630799 973966777 /nfs/dbraw/zinc/96/67/77/973966777.db2.gz ROUZRNSBAOGYEZ-HNNXBMFYSA-N -1 3 376.434 3.244 20 5 GGBDHM CSc1ccc([C@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])N(C)C)cc1 ZINC000568516930 974672399 /nfs/dbraw/zinc/67/23/99/974672399.db2.gz TXIIEJXSEDXRFR-HNNXBMFYSA-N -1 3 376.438 3.125 20 5 GGBDHM C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001589002307 984947203 /nfs/dbraw/zinc/94/72/03/984947203.db2.gz PGAUHVFKNXIJBK-RKWFYDHTSA-N -1 3 395.415 3.239 20 5 GGBDHM C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001589002302 984947396 /nfs/dbraw/zinc/94/73/96/984947396.db2.gz PGAUHVFKNXIJBK-CWIMXHLESA-N -1 3 395.415 3.239 20 5 GGBDHM CCO[C@@H]1C[C@@](NCc2cc([N+](=O)[O-])ccc2OC(C)C)(C(=O)[O-])C1(C)C ZINC001596836951 985489111 /nfs/dbraw/zinc/48/91/11/985489111.db2.gz GSUPAWTXFZEVPB-VQIMIIECSA-N -1 3 380.441 3.130 20 5 GGBDHM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001594569331 986379710 /nfs/dbraw/zinc/37/97/10/986379710.db2.gz LUBCKEDVKQICNA-INIZCTEOSA-N -1 3 399.447 3.273 20 5 GGBDHM CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001590339090 989775644 /nfs/dbraw/zinc/77/56/44/989775644.db2.gz BZSBJZSCMFXGLL-JKSUJKDBSA-N -1 3 390.436 3.093 20 5 GGBDHM CC(C)(CCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)C(=O)[O-] ZINC001590671113 990380143 /nfs/dbraw/zinc/38/01/43/990380143.db2.gz OSDMRFPIEQYOQC-UHFFFAOYSA-N -1 3 389.374 3.237 20 5 GGBDHM CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](COC1CCC1)C(=O)[O-] ZINC001598508357 992534171 /nfs/dbraw/zinc/53/41/71/992534171.db2.gz DAWMRTLNMVTSAK-CQSZACIVSA-N -1 3 376.331 3.068 20 5 GGBDHM CN(c1ccccc1)c1ccc(CN[C@@]2(CC(=O)[O-])CCOC2)cc1[N+](=O)[O-] ZINC001598545039 992936242 /nfs/dbraw/zinc/93/62/42/992936242.db2.gz LYTXUXDALSPXDX-HXUWFJFHSA-N -1 3 385.420 3.086 20 5 GGBDHM CN1CCC[C@H](CNc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001598591871 993445827 /nfs/dbraw/zinc/44/58/27/993445827.db2.gz DYQPDIKCPBKQTB-CQSZACIVSA-N -1 3 397.431 3.278 20 5 GGBDHM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1-n1cccn1 ZINC001593298050 994709224 /nfs/dbraw/zinc/70/92/24/994709224.db2.gz CXTYCDQSZNYBTF-AWEZNQCLSA-N -1 3 396.403 3.095 20 5 GGBDHM COc1ccc(-c2ccc(CN3CCSC[C@@H]3CC(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC001599468281 998402737 /nfs/dbraw/zinc/40/27/37/998402737.db2.gz JZEONGVTMGZTSW-LBPRGKRZSA-N -1 3 392.433 3.256 20 5 GGBDHM CO[C@@H](CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC001599054544 999220217 /nfs/dbraw/zinc/22/02/17/999220217.db2.gz TYJFGFHAWILDOY-KRWDZBQOSA-N -1 3 394.811 3.189 20 5 GGBDHM CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599064270 999288214 /nfs/dbraw/zinc/28/82/14/999288214.db2.gz VNWSCTZULKGNJO-HXPMCKFVSA-N -1 3 392.383 3.063 20 5 GGBDHM CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599064268 999288363 /nfs/dbraw/zinc/28/83/63/999288363.db2.gz VNWSCTZULKGNJO-BUXKBTBVSA-N -1 3 392.383 3.063 20 5 GGBDHM O=C([O-])[C@@H](Cc1ccc(O)cc1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001339010181 1126180803 /nfs/dbraw/zinc/18/08/03/1126180803.db2.gz FRDCQMHHUKNXND-QGZVFWFLSA-N -1 3 399.428 3.209 20 5 GGBDHM O=C([O-])[C@H](Cc1ccccc1)NCc1cccc([N+](=O)[O-])c1Br ZINC001601659366 1126224162 /nfs/dbraw/zinc/22/41/62/1126224162.db2.gz HWXSNMUZCXPBNN-ZDUSSCGKSA-N -1 3 379.210 3.143 20 5 GGBDHM O=C(Nc1cccc([O-])c1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000119694272 564283886 /nfs/dbraw/zinc/28/38/86/564283886.db2.gz MYUIJUWTVDQBOI-UHFFFAOYSA-N -1 3 384.129 3.157 20 5 GGBDHM Cc1cnc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000006416037 564223228 /nfs/dbraw/zinc/22/32/28/564223228.db2.gz YGMXSQXUOQGJEQ-UHFFFAOYSA-N -1 3 386.227 3.003 20 5 GGBDHM COC(=O)c1cc([N-]C(=O)c2sccc2Br)cc([N+](=O)[O-])c1 ZINC000118723349 564245301 /nfs/dbraw/zinc/24/53/01/564245301.db2.gz ZNRSJGBHKVMGIJ-UHFFFAOYSA-N -1 3 385.195 3.458 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)cc1 ZINC000020430707 564306463 /nfs/dbraw/zinc/30/64/63/564306463.db2.gz ATIVEFWWUNDGMK-UHFFFAOYSA-N -1 3 375.175 3.297 20 5 GGBDHM CCc1nc(CC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])sc1C ZINC000120195090 564308943 /nfs/dbraw/zinc/30/89/43/564308943.db2.gz SFENDMMNVZMPJT-UHFFFAOYSA-N -1 3 383.495 3.060 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000025376489 564338514 /nfs/dbraw/zinc/33/85/14/564338514.db2.gz ZZDKAOWJVRKMMF-VHSXEESVSA-N -1 3 382.360 3.003 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]C2CCC(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000029396241 564369777 /nfs/dbraw/zinc/36/97/77/564369777.db2.gz SKOJDDTWLGOFTA-UHFFFAOYSA-N -1 3 382.360 3.003 20 5 GGBDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000030435214 564380556 /nfs/dbraw/zinc/38/05/56/564380556.db2.gz ZRQHETLOAZYAFI-HNNXBMFYSA-N -1 3 383.495 3.018 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCO3)cc1[N+](=O)[O-] ZINC000032632572 564403647 /nfs/dbraw/zinc/40/36/47/564403647.db2.gz OXEULACSVNBXOL-UHFFFAOYSA-N -1 3 384.797 3.129 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCOc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000123291626 564443885 /nfs/dbraw/zinc/44/38/85/564443885.db2.gz YUCXHEZPHOGRHK-NSHDSACASA-N -1 3 388.854 3.420 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000124589844 564486584 /nfs/dbraw/zinc/48/65/84/564486584.db2.gz UOGKSNJIMBSYQM-UHFFFAOYSA-N -1 3 379.419 3.098 20 5 GGBDHM COc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1Cl ZINC000125647966 564521973 /nfs/dbraw/zinc/52/19/73/564521973.db2.gz UKBKWTKWYBWXOL-UHFFFAOYSA-N -1 3 376.843 3.105 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000126299195 564544148 /nfs/dbraw/zinc/54/41/48/564544148.db2.gz LFJHMIMXLCVWAW-GFCCVEGCSA-N -1 3 386.426 3.296 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000126415438 564548396 /nfs/dbraw/zinc/54/83/96/564548396.db2.gz CUHAEQGKHSMIGE-LBPRGKRZSA-N -1 3 386.426 3.296 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(OC(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000126461831 564550569 /nfs/dbraw/zinc/55/05/69/564550569.db2.gz WZDJOHDJAHABTQ-UHFFFAOYSA-N -1 3 385.467 3.016 20 5 GGBDHM O=C([N-]c1nc(-c2cccc(Br)c2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000126725225 564559997 /nfs/dbraw/zinc/55/99/97/564559997.db2.gz OWCNQGDFHWEBMC-UHFFFAOYSA-N -1 3 394.210 3.456 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000127160835 564574961 /nfs/dbraw/zinc/57/49/61/564574961.db2.gz AIXOGKACOVJVIC-UKRRQHHQSA-N -1 3 382.463 3.163 20 5 GGBDHM Cc1c(Br)cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1[N+](=O)[O-] ZINC000127323113 564580192 /nfs/dbraw/zinc/58/01/92/564580192.db2.gz RHPMDZGLCWXBDL-UHFFFAOYSA-N -1 3 392.169 3.296 20 5 GGBDHM Cc1c(Br)cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1[N+](=O)[O-] ZINC000127323113 564580196 /nfs/dbraw/zinc/58/01/96/564580196.db2.gz RHPMDZGLCWXBDL-UHFFFAOYSA-N -1 3 392.169 3.296 20 5 GGBDHM Cc1c(Br)cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1[N+](=O)[O-] ZINC000127323113 564580199 /nfs/dbraw/zinc/58/01/99/564580199.db2.gz RHPMDZGLCWXBDL-UHFFFAOYSA-N -1 3 392.169 3.296 20 5 GGBDHM COc1cccc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 ZINC000127693848 564592495 /nfs/dbraw/zinc/59/24/95/564592495.db2.gz DLPFULOXZLKRBQ-UHFFFAOYSA-N -1 3 382.825 3.224 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c(Cl)c1 ZINC000056003824 564636998 /nfs/dbraw/zinc/63/69/98/564636998.db2.gz DVRUVCBMVRNZRG-UHFFFAOYSA-N -1 3 399.837 3.443 20 5 GGBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000056088542 564640632 /nfs/dbraw/zinc/64/06/32/564640632.db2.gz MMAVDNGBZUQFNO-UHFFFAOYSA-N -1 3 392.767 3.328 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCOc2c(Cl)cccc21 ZINC000057010738 564656187 /nfs/dbraw/zinc/65/61/87/564656187.db2.gz CLISFVSZMGRYMJ-CYBMUJFWSA-N -1 3 382.825 3.359 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cc1 ZINC000130502215 564684021 /nfs/dbraw/zinc/68/40/21/564684021.db2.gz LIZSFTOWXQYPFC-UHFFFAOYSA-N -1 3 375.175 3.297 20 5 GGBDHM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000131959457 564729761 /nfs/dbraw/zinc/72/97/61/564729761.db2.gz AVXOLRHPMZNXLQ-AWEZNQCLSA-N -1 3 382.825 3.223 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc2cccnc21 ZINC000068838880 564827762 /nfs/dbraw/zinc/82/77/62/564827762.db2.gz MCVCPZASLPLJLV-UHFFFAOYSA-N -1 3 377.809 3.275 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2sccc2Br)c(F)c1 ZINC000069650790 564843020 /nfs/dbraw/zinc/84/30/20/564843020.db2.gz ZSWSWMRJIGPAOQ-UHFFFAOYSA-N -1 3 395.231 3.036 20 5 GGBDHM O=C([N-]O[C@@H]1CCCCO1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000136012882 564844104 /nfs/dbraw/zinc/84/41/04/564844104.db2.gz UJXYIJKLRVPVCP-SNVBAGLBSA-N -1 3 379.594 3.199 20 5 GGBDHM COC(=O)c1cc([N-]C(=O)c2cc(Br)cs2)cc([N+](=O)[O-])c1 ZINC000136149441 564845522 /nfs/dbraw/zinc/84/55/22/564845522.db2.gz SSXJIBWBBWNTDT-UHFFFAOYSA-N -1 3 385.195 3.458 20 5 GGBDHM Cc1csc(C2([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)CCCC2)n1 ZINC000079035734 564865809 /nfs/dbraw/zinc/86/58/09/564865809.db2.gz LJTXKEUVDQKMSH-UHFFFAOYSA-N -1 3 381.479 3.416 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccncc1Br ZINC000147725181 564883958 /nfs/dbraw/zinc/88/39/58/564883958.db2.gz AZJIIBXCNZBQLY-UHFFFAOYSA-N -1 3 392.618 3.207 20 5 GGBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cc([O-])ccc3Br)C2)nc1 ZINC000093534648 564887846 /nfs/dbraw/zinc/88/78/46/564887846.db2.gz XFJVJSXVEJEJAU-GFCCVEGCSA-N -1 3 393.241 3.144 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)c([N+](=O)[O-])c1 ZINC000101569873 564917868 /nfs/dbraw/zinc/91/78/68/564917868.db2.gz XRMBVBAKJHDXLN-UHFFFAOYSA-N -1 3 379.419 3.098 20 5 GGBDHM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000151422708 564919013 /nfs/dbraw/zinc/91/90/13/564919013.db2.gz XNDMVIGBIFOMJR-UHFFFAOYSA-N -1 3 377.769 3.120 20 5 GGBDHM COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000151514660 564923978 /nfs/dbraw/zinc/92/39/78/564923978.db2.gz JSMOMXSGUNKJJG-UHFFFAOYSA-N -1 3 381.182 3.002 20 5 GGBDHM Cc1c(Br)cc(C(=O)NCc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000151726391 564934215 /nfs/dbraw/zinc/93/42/15/564934215.db2.gz OPHKPDASJZAOSJ-UHFFFAOYSA-N -1 3 383.173 3.440 20 5 GGBDHM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000102900719 564938949 /nfs/dbraw/zinc/93/89/49/564938949.db2.gz UYKFXOOMARHVBZ-UHFFFAOYSA-N -1 3 377.769 3.120 20 5 GGBDHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(Cl)c1 ZINC000103059678 564941910 /nfs/dbraw/zinc/94/19/10/564941910.db2.gz OLPXUCKZMTVKEQ-UHFFFAOYSA-N -1 3 383.813 3.316 20 5 GGBDHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000152308634 564954182 /nfs/dbraw/zinc/95/41/82/564954182.db2.gz CBZODKALMFXZHR-VIFPVBQESA-N -1 3 388.854 3.250 20 5 GGBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CC(=O)c2cccs2)c1C ZINC000152303321 564954598 /nfs/dbraw/zinc/95/45/98/564954598.db2.gz GPYXJMAHEYIKIE-LLVKDONJSA-N -1 3 382.463 3.213 20 5 GGBDHM COCc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000107702685 565001327 /nfs/dbraw/zinc/00/13/27/565001327.db2.gz JINUWIAYOQWBEW-UHFFFAOYSA-N -1 3 388.804 3.012 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000107701417 565001520 /nfs/dbraw/zinc/00/15/20/565001520.db2.gz PVSVLYNSURWNPA-UONOGXRCSA-N -1 3 382.825 3.091 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1csc(-c2ccco2)n1 ZINC000153661934 565005673 /nfs/dbraw/zinc/00/56/73/565005673.db2.gz YQHOJZOTMSCVCK-UHFFFAOYSA-N -1 3 379.419 3.098 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)c(Cl)c1 ZINC000108874987 565018121 /nfs/dbraw/zinc/01/81/21/565018121.db2.gz MRFLCMMHFQGXLF-NSHDSACASA-N -1 3 382.825 3.093 20 5 GGBDHM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(CN(C)C)c1 ZINC000114054156 565072193 /nfs/dbraw/zinc/07/21/93/565072193.db2.gz MHQRGQYGDTXMJI-UHFFFAOYSA-N -1 3 383.857 3.419 20 5 GGBDHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1ccc([N+](=O)[O-])cc1Br ZINC000157174284 565122831 /nfs/dbraw/zinc/12/28/31/565122831.db2.gz NDKQWEYAPFBNDO-UHFFFAOYSA-N -1 3 396.588 3.306 20 5 GGBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c(Cl)c1 ZINC000184249414 565122868 /nfs/dbraw/zinc/12/28/68/565122868.db2.gz YOOUNJMJDKTDFW-UHFFFAOYSA-N -1 3 395.746 3.141 20 5 GGBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)Cc2noc3ccccc32)c(Cl)c1 ZINC000184252015 565124099 /nfs/dbraw/zinc/12/40/99/565124099.db2.gz BDLDCYXAMAMRMT-UHFFFAOYSA-N -1 3 381.797 3.009 20 5 GGBDHM C[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000184590665 565146956 /nfs/dbraw/zinc/14/69/56/565146956.db2.gz XJUNHGYSZCQRSY-LBPRGKRZSA-N -1 3 384.841 3.135 20 5 GGBDHM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000158778572 565181430 /nfs/dbraw/zinc/18/14/30/565181430.db2.gz XLWQLMCXOCYLSO-SECBINFHSA-N -1 3 387.845 3.243 20 5 GGBDHM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000158778716 565181514 /nfs/dbraw/zinc/18/15/14/565181514.db2.gz XLWQLMCXOCYLSO-VIFPVBQESA-N -1 3 387.845 3.243 20 5 GGBDHM CCOC(=O)[C@@H]1CCCc2sc([N-]C(=O)c3ccc([N+](=O)[O-])s3)nc21 ZINC000294315453 565207862 /nfs/dbraw/zinc/20/78/62/565207862.db2.gz VNVXJJCPAKATIY-MRVPVSSYSA-N -1 3 381.435 3.348 20 5 GGBDHM CC(=O)c1sc2[n-]c(CSc3ccc([N+](=O)[O-])cn3)nc(=O)c2c1C ZINC000160205445 565235534 /nfs/dbraw/zinc/23/55/34/565235534.db2.gz ZWMNZFBBOBLIGO-UHFFFAOYSA-N -1 3 376.419 3.091 20 5 GGBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000186236491 565248903 /nfs/dbraw/zinc/24/89/03/565248903.db2.gz RYZBAEKRWONZCC-VIFPVBQESA-N -1 3 388.804 3.435 20 5 GGBDHM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000186482480 565262745 /nfs/dbraw/zinc/26/27/45/565262745.db2.gz JJHZPBFXYHNANQ-QMMMGPOBSA-N -1 3 375.859 3.095 20 5 GGBDHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000186734554 565281490 /nfs/dbraw/zinc/28/14/90/565281490.db2.gz OXTPBUGBZJVTRT-MRVPVSSYSA-N -1 3 375.859 3.095 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccnc1 ZINC000162720351 565325999 /nfs/dbraw/zinc/32/59/99/565325999.db2.gz KZEAJORUCDPGCZ-SECBINFHSA-N -1 3 375.328 3.048 20 5 GGBDHM O=C(Nc1nnc(-c2ccccc2Cl)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187558854 565340634 /nfs/dbraw/zinc/34/06/34/565340634.db2.gz MFQAXMJBKLSNPA-UHFFFAOYSA-N -1 3 377.769 3.120 20 5 GGBDHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163402331 565344754 /nfs/dbraw/zinc/34/47/54/565344754.db2.gz HZMXHIRSPGISHJ-SECBINFHSA-N -1 3 386.417 3.424 20 5 GGBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)cc1[N+](=O)[O-] ZINC000187781321 565354996 /nfs/dbraw/zinc/35/49/96/565354996.db2.gz BCOFYHNFIKLQQQ-GFCCVEGCSA-N -1 3 386.426 3.160 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](c1nccs1)c1ccccc1 ZINC000171713628 565446543 /nfs/dbraw/zinc/44/65/43/565446543.db2.gz HFHQBZBGMSNPCO-OAHLLOKOSA-N -1 3 375.431 3.119 20 5 GGBDHM COc1cc(C(=O)NCc2ccc([O-])c(Br)c2)cc([N+](=O)[O-])c1C ZINC000189558765 565473903 /nfs/dbraw/zinc/47/39/03/565473903.db2.gz LGUAVGILRFPONR-UHFFFAOYSA-N -1 3 395.209 3.310 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)cc1 ZINC000190077577 565506462 /nfs/dbraw/zinc/50/64/62/565506462.db2.gz AVCXHOQUEXACBQ-UHFFFAOYSA-N -1 3 393.165 3.436 20 5 GGBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)CC(=O)c2cccs2)c1[N+](=O)[O-] ZINC000190090761 565507425 /nfs/dbraw/zinc/50/74/25/565507425.db2.gz QWFDXMSSPBFPFP-LBPRGKRZSA-N -1 3 382.463 3.213 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(Br)cc1 ZINC000386750301 565548221 /nfs/dbraw/zinc/54/82/21/565548221.db2.gz BQJOHRCEADCXNA-UHFFFAOYSA-N -1 3 385.239 3.144 20 5 GGBDHM C[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000278292175 565549821 /nfs/dbraw/zinc/54/98/21/565549821.db2.gz BVSBQEIHYIVFBF-QMMMGPOBSA-N -1 3 395.384 3.251 20 5 GGBDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C2CC2)s1 ZINC000173487768 565560743 /nfs/dbraw/zinc/56/07/43/565560743.db2.gz OHHTXQDVLQONRO-HNNXBMFYSA-N -1 3 381.479 3.406 20 5 GGBDHM C[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000278472853 565561126 /nfs/dbraw/zinc/56/11/26/565561126.db2.gz ZTCIEUBUHZRLPP-QMMMGPOBSA-N -1 3 395.384 3.251 20 5 GGBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N(C)c1ccccc1 ZINC000303058183 565567490 /nfs/dbraw/zinc/56/74/90/565567490.db2.gz WSFXDJGWTHWUSZ-GFCCVEGCSA-N -1 3 383.857 3.051 20 5 GGBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000191228120 565589996 /nfs/dbraw/zinc/58/99/96/565589996.db2.gz QTHDOUHFEFXPAK-UHFFFAOYSA-N -1 3 380.809 3.486 20 5 GGBDHM COC(=O)c1cccc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1Br ZINC000191329246 565597206 /nfs/dbraw/zinc/59/72/06/565597206.db2.gz PNKTZAPFQJOGLR-UHFFFAOYSA-N -1 3 385.195 3.458 20 5 GGBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2cccc(Br)c2)cc1C ZINC000321109092 565604309 /nfs/dbraw/zinc/60/43/09/565604309.db2.gz JJNNMMHTDVOCLT-UHFFFAOYSA-N -1 3 399.266 3.453 20 5 GGBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)c1[N+](=O)[O-] ZINC000410173512 565669363 /nfs/dbraw/zinc/66/93/63/565669363.db2.gz MDYXOSIXGPSWAD-VXGBXAGGSA-N -1 3 378.397 3.040 20 5 GGBDHM O=C([N-]CC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000281424398 565729915 /nfs/dbraw/zinc/72/99/15/565729915.db2.gz ZCPZQBBUBCDMNI-UHFFFAOYSA-N -1 3 379.766 3.139 20 5 GGBDHM COc1ccc(Br)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000195526192 565888965 /nfs/dbraw/zinc/88/89/65/565888965.db2.gz CQSRQDAVERKAFJ-UHFFFAOYSA-N -1 3 391.181 3.495 20 5 GGBDHM Cc1cc(CN(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000414458174 565935963 /nfs/dbraw/zinc/93/59/63/565935963.db2.gz KGPVFSHOGUTHON-UHFFFAOYSA-N -1 3 383.857 3.419 20 5 GGBDHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1CN(C)C ZINC000414462410 565937165 /nfs/dbraw/zinc/93/71/65/565937165.db2.gz HVHDYYNILQFWAP-UHFFFAOYSA-N -1 3 383.857 3.419 20 5 GGBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc(Br)ccc1[O-] ZINC000179654849 565996568 /nfs/dbraw/zinc/99/65/68/565996568.db2.gz IEXXZKWTAAQUNF-UHFFFAOYSA-N -1 3 381.182 3.471 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000180286730 566051492 /nfs/dbraw/zinc/05/14/92/566051492.db2.gz FHGNJQHVOOWKNV-UHFFFAOYSA-N -1 3 378.193 3.106 20 5 GGBDHM COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416408291 566063995 /nfs/dbraw/zinc/06/39/95/566063995.db2.gz PBLOESOSORSCAF-SECBINFHSA-N -1 3 384.376 3.096 20 5 GGBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccs1 ZINC000416454433 566069436 /nfs/dbraw/zinc/06/94/36/566069436.db2.gz IBQAVWAKUNTCNU-MRVPVSSYSA-N -1 3 395.384 3.152 20 5 GGBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@@H]1CCC(F)(F)C1 ZINC000416524993 566081050 /nfs/dbraw/zinc/08/10/50/566081050.db2.gz NAMUXOSXFVBETH-MRVPVSSYSA-N -1 3 388.314 3.327 20 5 GGBDHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416539587 566083439 /nfs/dbraw/zinc/08/34/39/566083439.db2.gz SNYZVSWIKIEXEY-LBPRGKRZSA-N -1 3 383.857 3.333 20 5 GGBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2nc3c(s2)CCC3)c1C ZINC000416536278 566083468 /nfs/dbraw/zinc/08/34/68/566083468.db2.gz LMQQXOLORJDQPK-LLVKDONJSA-N -1 3 381.479 3.196 20 5 GGBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)CC(F)(F)F ZINC000416589522 566091233 /nfs/dbraw/zinc/09/12/33/566091233.db2.gz BHEKMFOSGCDEDH-VIFPVBQESA-N -1 3 377.344 3.010 20 5 GGBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)CC(F)(F)F ZINC000416589519 566091663 /nfs/dbraw/zinc/09/16/63/566091663.db2.gz BHEKMFOSGCDEDH-SECBINFHSA-N -1 3 377.344 3.010 20 5 GGBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccco1 ZINC000416646335 566099800 /nfs/dbraw/zinc/09/98/00/566099800.db2.gz GROGFLUYWCPNTK-NXEZZACHSA-N -1 3 376.312 3.041 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)c(C(F)(F)F)c1 ZINC000416666712 566101895 /nfs/dbraw/zinc/10/18/95/566101895.db2.gz VCLZNTVHDMDHNO-MWLCHTKSSA-N -1 3 376.312 3.041 20 5 GGBDHM O=[N+]([O-])c1ccn(C2CCN(Cc3cc([O-])ccc3Br)CC2)n1 ZINC000365985911 566129930 /nfs/dbraw/zinc/12/99/30/566129930.db2.gz DKADGLIKHAOVMK-UHFFFAOYSA-N -1 3 381.230 3.097 20 5 GGBDHM CC(C)COC[C@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000181500232 566144006 /nfs/dbraw/zinc/14/40/06/566144006.db2.gz RAVJCSPIUZQVEQ-NSHDSACASA-N -1 3 388.467 3.479 20 5 GGBDHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000367883113 566221086 /nfs/dbraw/zinc/22/10/86/566221086.db2.gz AQNPEHYRBTXDMY-UHFFFAOYSA-N -1 3 376.375 3.156 20 5 GGBDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OCC ZINC000599367268 566256594 /nfs/dbraw/zinc/25/65/94/566256594.db2.gz DQLGEPJJJUMEPX-LLVKDONJSA-N -1 3 384.376 3.097 20 5 GGBDHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1 ZINC000599411205 566261689 /nfs/dbraw/zinc/26/16/89/566261689.db2.gz XMSXUGWVVSLRPY-UHFFFAOYSA-N -1 3 383.857 3.208 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CN(C)C)c(Cl)c1 ZINC000481884561 566261814 /nfs/dbraw/zinc/26/18/14/566261814.db2.gz WPKWXHIFXWFIHM-UHFFFAOYSA-N -1 3 383.857 3.419 20 5 GGBDHM O=C(Nc1ccc2cccc(Br)c2n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445021337 566263875 /nfs/dbraw/zinc/26/38/75/566263875.db2.gz QGQMTNBBBUAAPP-UHFFFAOYSA-N -1 3 389.165 3.258 20 5 GGBDHM CN(C)C(=O)c1cccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000445245560 566274835 /nfs/dbraw/zinc/27/48/35/566274835.db2.gz BJYZGUWEHGCGDK-UHFFFAOYSA-N -1 3 398.238 3.373 20 5 GGBDHM COC(=O)c1ccccc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000445249864 566277122 /nfs/dbraw/zinc/27/71/22/566277122.db2.gz OKSAHCZPQDUOKL-UHFFFAOYSA-N -1 3 385.195 3.458 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccsc2Br)cc1[N+](=O)[O-] ZINC000509339880 566291515 /nfs/dbraw/zinc/29/15/15/566291515.db2.gz TUFZDQKKAHPEIC-UHFFFAOYSA-N -1 3 397.297 3.267 20 5 GGBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000462399131 566295872 /nfs/dbraw/zinc/29/58/72/566295872.db2.gz ABUVQKHXIOYBCM-OAHLLOKOSA-N -1 3 384.841 3.223 20 5 GGBDHM CN(C)C1(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000462439272 566302399 /nfs/dbraw/zinc/30/23/99/566302399.db2.gz WZBFFPJPRAEBPK-UHFFFAOYSA-N -1 3 396.296 3.054 20 5 GGBDHM CC(C)N(CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000462469034 566307650 /nfs/dbraw/zinc/30/76/50/566307650.db2.gz APDFXLHNKCHWSO-UHFFFAOYSA-N -1 3 398.312 3.299 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c(Cl)c1Cl ZINC000462537713 566319420 /nfs/dbraw/zinc/31/94/20/566319420.db2.gz JAHACDXBWMLENA-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000576176328 566323627 /nfs/dbraw/zinc/32/36/27/566323627.db2.gz JNQJUOPXPYHJQC-UHFFFAOYSA-N -1 3 392.169 3.296 20 5 GGBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000576176328 566323634 /nfs/dbraw/zinc/32/36/34/566323634.db2.gz JNQJUOPXPYHJQC-UHFFFAOYSA-N -1 3 392.169 3.296 20 5 GGBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000576176328 566323642 /nfs/dbraw/zinc/32/36/42/566323642.db2.gz JNQJUOPXPYHJQC-UHFFFAOYSA-N -1 3 392.169 3.296 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)Oc1ccc(Cl)cc1 ZINC000462576095 566326855 /nfs/dbraw/zinc/32/68/55/566326855.db2.gz OXILVMOZCZREHV-GFCCVEGCSA-N -1 3 384.841 3.302 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(Cl)cccc32)c([N+](=O)[O-])c1 ZINC000509774600 566335997 /nfs/dbraw/zinc/33/59/97/566335997.db2.gz DIAARECKCVTJPC-CYBMUJFWSA-N -1 3 382.825 3.359 20 5 GGBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCCC2 ZINC000462673393 566340325 /nfs/dbraw/zinc/34/03/25/566340325.db2.gz FQSJCHOBIUPUEM-HUUCEWRRSA-N -1 3 388.873 3.264 20 5 GGBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(Cl)c1 ZINC000462683042 566340565 /nfs/dbraw/zinc/34/05/65/566340565.db2.gz SRGRFYLMOROMJH-CQSZACIVSA-N -1 3 388.804 3.053 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C)Oc1cccc(Cl)c1 ZINC000462705566 566344021 /nfs/dbraw/zinc/34/40/21/566344021.db2.gz OMYDXEMDLFRGRJ-GFCCVEGCSA-N -1 3 384.841 3.302 20 5 GGBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(F)cc1 ZINC000462708845 566344265 /nfs/dbraw/zinc/34/42/65/566344265.db2.gz IEZQDJDKGKTBPP-SNVBAGLBSA-N -1 3 388.804 3.133 20 5 GGBDHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000462714628 566346604 /nfs/dbraw/zinc/34/66/04/566346604.db2.gz IDNDJXZCJAXYDI-LBPRGKRZSA-N -1 3 384.841 3.302 20 5 GGBDHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000462720556 566347792 /nfs/dbraw/zinc/34/77/92/566347792.db2.gz JXJDAAMWMYFPQY-LBPRGKRZSA-N -1 3 384.841 3.302 20 5 GGBDHM CNc1c(C(=O)NCc2ccc([O-])c(Br)c2)cccc1[N+](=O)[O-] ZINC000462771300 566351482 /nfs/dbraw/zinc/35/14/82/566351482.db2.gz DJYTXVZYXASMAG-UHFFFAOYSA-N -1 3 380.198 3.035 20 5 GGBDHM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446940854 566371931 /nfs/dbraw/zinc/37/19/31/566371931.db2.gz HRKXINRKTOPGQZ-NXEZZACHSA-N -1 3 377.260 3.214 20 5 GGBDHM Cc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446939153 566371943 /nfs/dbraw/zinc/37/19/43/566371943.db2.gz ZPSPSFDULPVZNJ-UHFFFAOYSA-N -1 3 385.239 3.144 20 5 GGBDHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446946080 566372730 /nfs/dbraw/zinc/37/27/30/566372730.db2.gz NACTUPHAQWDHCI-SKDRFNHKSA-N -1 3 377.260 3.214 20 5 GGBDHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446946078 566373347 /nfs/dbraw/zinc/37/33/47/566373347.db2.gz NACTUPHAQWDHCI-CABZTGNLSA-N -1 3 377.260 3.214 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cc2ccccc2s1 ZINC000557226391 566373674 /nfs/dbraw/zinc/37/36/74/566373674.db2.gz KZTXQMIMQZBYNV-UHFFFAOYSA-N -1 3 378.431 3.297 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc32)c(Br)c1 ZINC000446961029 566374618 /nfs/dbraw/zinc/37/46/18/566374618.db2.gz TYZZVMQPQUVOQB-AWEZNQCLSA-N -1 3 397.250 3.323 20 5 GGBDHM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCCCC1 ZINC000447014294 566379245 /nfs/dbraw/zinc/37/92/45/566379245.db2.gz SWLIABXKPWYIFH-UHFFFAOYSA-N -1 3 377.260 3.358 20 5 GGBDHM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000447024435 566380052 /nfs/dbraw/zinc/38/00/52/566380052.db2.gz XFTNHLRHUALAER-UHFFFAOYSA-N -1 3 377.260 3.216 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cc1 ZINC000447276425 566398973 /nfs/dbraw/zinc/39/89/73/566398973.db2.gz ATHQGWOJOKAWIU-UHFFFAOYSA-N -1 3 380.275 3.275 20 5 GGBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cn1 ZINC000557845225 566428927 /nfs/dbraw/zinc/42/89/27/566428927.db2.gz WSQFMTRWQVOULK-QMMMGPOBSA-N -1 3 376.221 3.336 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CC1 ZINC000511040994 566431182 /nfs/dbraw/zinc/43/11/82/566431182.db2.gz UXDOGXBOGCJPKN-UHFFFAOYSA-N -1 3 384.816 3.397 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(c2ccccn2)CCC1 ZINC000511435564 566465320 /nfs/dbraw/zinc/46/53/20/566465320.db2.gz DKCMLRKTNDWKGP-UHFFFAOYSA-N -1 3 381.841 3.043 20 5 GGBDHM O=C(Nc1ccc(Br)cc1[O-])c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000538706578 566529139 /nfs/dbraw/zinc/52/91/39/566529139.db2.gz QWYGXWOLRYNOSH-UHFFFAOYSA-N -1 3 381.138 3.044 20 5 GGBDHM O=C([N-]c1n[nH]c(-c2ccccc2Br)n1)c1csc([N+](=O)[O-])c1 ZINC000603752140 566538705 /nfs/dbraw/zinc/53/87/05/566538705.db2.gz BOUBQVMESRNDSU-UHFFFAOYSA-N -1 3 394.210 3.456 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000604016973 566550689 /nfs/dbraw/zinc/55/06/89/566550689.db2.gz PDGYHDHJJYBUOK-UHFFFAOYSA-N -1 3 378.303 3.231 20 5 GGBDHM C[C@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000604034089 566552401 /nfs/dbraw/zinc/55/24/01/566552401.db2.gz FUVKWNZLBGDVIK-LLVKDONJSA-N -1 3 399.266 3.267 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000604036404 566552430 /nfs/dbraw/zinc/55/24/30/566552430.db2.gz BBLHDIMGPKVLEC-UHFFFAOYSA-N -1 3 384.816 3.397 20 5 GGBDHM COc1ccc(CCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000604118411 566553565 /nfs/dbraw/zinc/55/35/65/566553565.db2.gz VVFCVWQMDRFYPR-UHFFFAOYSA-N -1 3 384.841 3.168 20 5 GGBDHM COc1cc(CNCc2nc(C)c(Br)s2)c([N+](=O)[O-])cc1[O-] ZINC000449402792 566558172 /nfs/dbraw/zinc/55/81/72/566558172.db2.gz SORLTVPXXDLZNF-UHFFFAOYSA-N -1 3 388.243 3.126 20 5 GGBDHM Cn1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c(C(F)(F)F)n1 ZINC000486148677 566563672 /nfs/dbraw/zinc/56/36/72/566563672.db2.gz FPPSLVGOYJRQDE-UHFFFAOYSA-N -1 3 399.148 3.423 20 5 GGBDHM COc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000466511366 566581264 /nfs/dbraw/zinc/58/12/64/566581264.db2.gz ALCIGNLNQGNOBN-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)c(Cl)c1 ZINC000486669782 566611208 /nfs/dbraw/zinc/61/12/08/566611208.db2.gz GPXNBQLVDDTGKO-CKEIUWERSA-N -1 3 378.837 3.112 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000486687724 566612027 /nfs/dbraw/zinc/61/20/27/566612027.db2.gz DQGANDNXFOOCBT-CKEIUWERSA-N -1 3 378.837 3.112 20 5 GGBDHM CCOc1ccc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1F ZINC000466971902 566612379 /nfs/dbraw/zinc/61/23/79/566612379.db2.gz AUEAPJROGKWCNA-UHFFFAOYSA-N -1 3 378.378 3.442 20 5 GGBDHM COc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467047719 566621618 /nfs/dbraw/zinc/62/16/18/566621618.db2.gz QTIPCJXWRGPWRG-UHFFFAOYSA-N -1 3 384.479 3.229 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)cc1[N+](=O)[O-] ZINC000467065193 566622062 /nfs/dbraw/zinc/62/20/62/566622062.db2.gz YAMNMBFTCQVKFI-AWEZNQCLSA-N -1 3 384.504 3.274 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)cc1[N+](=O)[O-] ZINC000467065194 566622597 /nfs/dbraw/zinc/62/25/97/566622597.db2.gz YAMNMBFTCQVKFI-CQSZACIVSA-N -1 3 384.504 3.274 20 5 GGBDHM CCc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467401622 566643672 /nfs/dbraw/zinc/64/36/72/566643672.db2.gz COEPJKFVHMWHFL-CYBMUJFWSA-N -1 3 382.463 3.329 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000467400417 566643897 /nfs/dbraw/zinc/64/38/97/566643897.db2.gz VHGVNDCHHLFJSV-UHFFFAOYSA-N -1 3 396.368 3.342 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000467399787 566644024 /nfs/dbraw/zinc/64/40/24/566644024.db2.gz QNLXWMDWQVBBDS-ZBFHGGJFSA-N -1 3 382.463 3.163 20 5 GGBDHM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467422565 566646006 /nfs/dbraw/zinc/64/60/06/566646006.db2.gz DISYOEPFOOHFEE-UHFFFAOYSA-N -1 3 376.843 3.105 20 5 GGBDHM COc1ccsc1S(=O)(=O)[N-]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487385875 566668274 /nfs/dbraw/zinc/66/82/74/566668274.db2.gz ALABQVJVQMWGPU-UHFFFAOYSA-N -1 3 396.368 3.162 20 5 GGBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000487413329 566671221 /nfs/dbraw/zinc/67/12/21/566671221.db2.gz RTEOCKDMABELSS-CQSZACIVSA-N -1 3 384.841 3.223 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCS2)c(C(F)(F)F)c1 ZINC000541309230 566713781 /nfs/dbraw/zinc/71/37/81/566713781.db2.gz 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C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000515758844 566733153 /nfs/dbraw/zinc/73/31/53/566733153.db2.gz RKPHBCMMTIWMTG-FZMZJTMJSA-N -1 3 376.862 3.122 20 5 GGBDHM Cc1cc(OCC(=O)Nc2ccc(Br)cc2[O-])ccc1[N+](=O)[O-] ZINC000516236976 566755186 /nfs/dbraw/zinc/75/51/86/566755186.db2.gz UKXBQVUKTFIKKW-UHFFFAOYSA-N -1 3 381.182 3.389 20 5 GGBDHM CN(C)C1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCCC1 ZINC000516344211 566760151 /nfs/dbraw/zinc/76/01/51/566760151.db2.gz HDTZLJYQKCCDDJ-UHFFFAOYSA-N -1 3 389.905 3.181 20 5 GGBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)cc1 ZINC000516378936 566760987 /nfs/dbraw/zinc/76/09/87/566760987.db2.gz ITNVSTBWACMMJA-UHFFFAOYSA-N -1 3 397.865 3.478 20 5 GGBDHM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609824734 566788783 /nfs/dbraw/zinc/78/87/83/566788783.db2.gz LPFQZNSABHJCEL-XHDPSFHLSA-N -1 3 390.889 3.368 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2Cl)c(F)c1 ZINC000610134997 566810666 /nfs/dbraw/zinc/81/06/66/566810666.db2.gz IJPWWFUCYPQQJG-TVQRCGJNSA-N -1 3 388.779 3.361 20 5 GGBDHM COc1cc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1C ZINC000610161896 566812702 /nfs/dbraw/zinc/81/27/02/566812702.db2.gz PQVCZINPPYLDPS-UHFFFAOYSA-N -1 3 384.841 3.086 20 5 GGBDHM Cc1c(Br)cc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000610785442 566864110 /nfs/dbraw/zinc/86/41/10/566864110.db2.gz SUCCCKZCXSULIS-MRVPVSSYSA-N -1 3 399.213 3.132 20 5 GGBDHM CC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000518211866 566872205 /nfs/dbraw/zinc/87/22/05/566872205.db2.gz KEJDRZSZXSFYKO-GFCCVEGCSA-N -1 3 379.276 3.460 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@@H](C)[C@@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000490624826 566872979 /nfs/dbraw/zinc/87/29/79/566872979.db2.gz BFRPKTLIRCTWBL-RTHLEPHNSA-N -1 3 388.492 3.007 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)c(Cl)c1 ZINC000470770942 566903739 /nfs/dbraw/zinc/90/37/39/566903739.db2.gz DFZWMXMHFZTUFO-UHFFFAOYSA-N -1 3 397.865 3.379 20 5 GGBDHM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)C1 ZINC000491533804 566907929 /nfs/dbraw/zinc/90/79/29/566907929.db2.gz SQWRDRKPBNOLIY-WDEREUQCSA-N -1 3 392.474 3.085 20 5 GGBDHM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491613441 566913298 /nfs/dbraw/zinc/91/32/98/566913298.db2.gz REMYLOUOVBDBSL-GXTWGEPZSA-N -1 3 392.474 3.085 20 5 GGBDHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491613443 566913778 /nfs/dbraw/zinc/91/37/78/566913778.db2.gz REMYLOUOVBDBSL-OCCSQVGLSA-N -1 3 392.474 3.085 20 5 GGBDHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)C2)c1 ZINC000451970522 566917225 /nfs/dbraw/zinc/91/72/25/566917225.db2.gz YTAJTYHIKPTNQH-JOCQHMNTSA-N -1 3 382.463 3.198 20 5 GGBDHM CCC(CC)[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000493526969 566949113 /nfs/dbraw/zinc/94/91/13/566949113.db2.gz NSXTYXLUJMUSMX-UHFFFAOYSA-N -1 3 395.275 3.141 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(F)cc(F)c(F)c2F)c(Cl)c1 ZINC000429913600 566965782 /nfs/dbraw/zinc/96/57/82/566965782.db2.gz IBBMKZXOQVTUQW-UHFFFAOYSA-N -1 3 398.721 3.283 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 ZINC000519891680 566976998 /nfs/dbraw/zinc/97/69/98/566976998.db2.gz NHEHCOTYQJPSOQ-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]CCCc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000584071381 567008914 /nfs/dbraw/zinc/00/89/14/567008914.db2.gz BLYMRADNWDZISF-UHFFFAOYSA-N -1 3 384.841 3.168 20 5 GGBDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000520894402 567030579 /nfs/dbraw/zinc/03/05/79/567030579.db2.gz LEXCJKMZTWCEMR-HOMQSWHASA-N -1 3 377.260 3.214 20 5 GGBDHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000521288206 567052280 /nfs/dbraw/zinc/05/22/80/567052280.db2.gz JAFQHVYKAFNULB-RNCFNFMXSA-N -1 3 377.260 3.214 20 5 GGBDHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000521288204 567052808 /nfs/dbraw/zinc/05/28/08/567052808.db2.gz JAFQHVYKAFNULB-NOZJJQNGSA-N -1 3 377.260 3.214 20 5 GGBDHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1Cl ZINC000431176289 567061682 /nfs/dbraw/zinc/06/16/82/567061682.db2.gz TZUWDMFHURBGMB-UHFFFAOYSA-N -1 3 384.797 3.144 20 5 GGBDHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1Cl ZINC000431183971 567063165 /nfs/dbraw/zinc/06/31/65/567063165.db2.gz REFBJGVJIYFYIT-UHFFFAOYSA-N -1 3 384.797 3.144 20 5 GGBDHM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1Cl ZINC000431180918 567063658 /nfs/dbraw/zinc/06/36/58/567063658.db2.gz QVEOQKTWBRHJAD-UHFFFAOYSA-N -1 3 384.797 3.144 20 5 GGBDHM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000521766182 567077570 /nfs/dbraw/zinc/07/75/70/567077570.db2.gz LSOYXTXGXRPMQX-KOLCDFICSA-N -1 3 377.260 3.214 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCOc2ccccc21 ZINC000521774998 567079501 /nfs/dbraw/zinc/07/95/01/567079501.db2.gz PZVGDGZKDSMJCS-LLVKDONJSA-N -1 3 382.825 3.093 20 5 GGBDHM COCCc1ccnc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000587535467 567104670 /nfs/dbraw/zinc/10/46/70/567104670.db2.gz QKTVIRMUOHXGEE-UHFFFAOYSA-N -1 3 386.227 3.255 20 5 GGBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s1 ZINC000588068198 567110360 /nfs/dbraw/zinc/11/03/60/567110360.db2.gz HTSRQIDPHYIOIU-UHFFFAOYSA-N -1 3 396.277 3.354 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1c(F)cccc1F ZINC000522555268 567119997 /nfs/dbraw/zinc/11/99/97/567119997.db2.gz UPZPUYMZAVIPSO-SKDRFNHKSA-N -1 3 388.779 3.361 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1cccc(Cl)c1 ZINC000588910206 567144268 /nfs/dbraw/zinc/14/42/68/567144268.db2.gz PYRONFMPWQVJIO-HNNXBMFYSA-N -1 3 384.841 3.223 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccc(Cl)cc32)c(Cl)c1 ZINC000474300671 567158022 /nfs/dbraw/zinc/15/80/22/567158022.db2.gz DVTKMJGJNGBAQH-LBPRGKRZSA-N -1 3 389.216 3.314 20 5 GGBDHM CCOc1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000524312930 567191622 /nfs/dbraw/zinc/19/16/22/567191622.db2.gz RNJIWVVTIRHNKO-UHFFFAOYSA-N -1 3 384.841 3.168 20 5 GGBDHM Cc1ccccc1OCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000524591958 567205095 /nfs/dbraw/zinc/20/50/95/567205095.db2.gz WLSYITCTLSTAHF-UHFFFAOYSA-N -1 3 384.841 3.304 20 5 GGBDHM Cc1cc(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)c(F)cc1[N+](=O)[O-] ZINC000590591173 567234288 /nfs/dbraw/zinc/23/42/88/567234288.db2.gz PBGGUHLEEZDHJK-UHFFFAOYSA-N -1 3 385.442 3.247 20 5 GGBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CC(C2CC2)C2CC2)c1 ZINC000525188065 567234864 /nfs/dbraw/zinc/23/48/64/567234864.db2.gz XWGNYKOUKHGJSE-UHFFFAOYSA-N -1 3 389.271 3.072 20 5 GGBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)c1[N+](=O)[O-] ZINC000616424298 567244930 /nfs/dbraw/zinc/24/49/30/567244930.db2.gz KRSIJFGDHSKSAG-CYBMUJFWSA-N -1 3 382.825 3.277 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ccccc1SC ZINC000499641104 567263619 /nfs/dbraw/zinc/26/36/19/567263619.db2.gz KHRKEYCGAPIDBI-LLVKDONJSA-N -1 3 382.463 3.365 20 5 GGBDHM CNC(=O)c1cccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000499975329 567289263 /nfs/dbraw/zinc/28/92/63/567289263.db2.gz QFXAMCVKKZCFBM-UHFFFAOYSA-N -1 3 384.211 3.031 20 5 GGBDHM CC(C)(C)c1cnc([N-]C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])s1 ZINC000455765537 567304516 /nfs/dbraw/zinc/30/45/16/567304516.db2.gz HCDSFFLXAMTBHX-UHFFFAOYSA-N -1 3 383.451 3.005 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000500426071 567321424 /nfs/dbraw/zinc/32/14/24/567321424.db2.gz YNTRHHHABRBYTJ-SNVBAGLBSA-N -1 3 385.239 3.397 20 5 GGBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000500432468 567321441 /nfs/dbraw/zinc/32/14/41/567321441.db2.gz ZRCFPOOOVKYVHH-UHFFFAOYSA-N -1 3 375.431 3.197 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000435223751 567350970 /nfs/dbraw/zinc/35/09/70/567350970.db2.gz BPFCDZOIMIOPBG-IAOVAPTHSA-N -1 3 378.837 3.255 20 5 GGBDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)o2)cs1 ZINC000477158066 567376183 /nfs/dbraw/zinc/37/61/83/567376183.db2.gz DSBFNSCDSJVKNB-UHFFFAOYSA-N -1 3 379.419 3.098 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000435603974 567378682 /nfs/dbraw/zinc/37/86/82/567378682.db2.gz MWIQCBKUXVDDBY-UONOGXRCSA-N -1 3 382.825 3.091 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000435604188 567378690 /nfs/dbraw/zinc/37/86/90/567378690.db2.gz CDSIUICAMCDZBD-GZMMTYOYSA-N -1 3 392.380 3.216 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc2ccccc2s1 ZINC000619478982 567457516 /nfs/dbraw/zinc/45/75/16/567457516.db2.gz UNIUFGAGXOBFND-UHFFFAOYSA-N -1 3 378.431 3.297 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000619483222 567458786 /nfs/dbraw/zinc/45/87/86/567458786.db2.gz DEBYCQXXEUODIA-UHFFFAOYSA-N -1 3 382.825 3.224 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000619507581 567461016 /nfs/dbraw/zinc/46/10/16/567461016.db2.gz PNFCAPACVKRAQN-UHFFFAOYSA-N -1 3 378.193 3.106 20 5 GGBDHM CN(C)CCN(Cc1ccsc1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000570215307 567467567 /nfs/dbraw/zinc/46/75/67/567467567.db2.gz HBWGRIWNOVYFBZ-UHFFFAOYSA-N -1 3 383.857 3.219 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)c1ccccc1SC ZINC000619681868 567473013 /nfs/dbraw/zinc/47/30/13/567473013.db2.gz MKGJHFRTHWFQNE-NSHDSACASA-N -1 3 382.463 3.365 20 5 GGBDHM CSc1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 ZINC000478638688 567473277 /nfs/dbraw/zinc/47/32/77/567473277.db2.gz ZFOVNISXTWBYKR-UHFFFAOYSA-N -1 3 389.256 3.491 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)c1ccccc1SC ZINC000619714657 567474588 /nfs/dbraw/zinc/47/45/88/567474588.db2.gz MKGJHFRTHWFQNE-LLVKDONJSA-N -1 3 382.463 3.365 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(CCOCC3)CC2)c(Cl)c1 ZINC000437321422 567490984 /nfs/dbraw/zinc/49/09/84/567490984.db2.gz KFFIVKCICBOFMR-UHFFFAOYSA-N -1 3 388.873 3.266 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000479203114 567515278 /nfs/dbraw/zinc/51/52/78/567515278.db2.gz VBBNADHMPAWZBD-SECBINFHSA-N -1 3 388.804 3.435 20 5 GGBDHM Cc1ccc(Br)cc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000438887224 567551623 /nfs/dbraw/zinc/55/16/23/567551623.db2.gz PABPXHMXKHSSPJ-UHFFFAOYSA-N -1 3 385.239 3.144 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000479914676 567568437 /nfs/dbraw/zinc/56/84/37/567568437.db2.gz JJPALRMBNLGCJJ-UHFFFAOYSA-N -1 3 376.768 3.047 20 5 GGBDHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000479986193 567572930 /nfs/dbraw/zinc/57/29/30/567572930.db2.gz BTQRYINNFZQBNJ-ZBEGNZNMSA-N -1 3 384.841 3.303 20 5 GGBDHM COC1CCC(C)(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000480395699 567601680 /nfs/dbraw/zinc/60/16/80/567601680.db2.gz LAHCPVLRDJMGHV-UHFFFAOYSA-N -1 3 376.862 3.122 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000480660713 567618486 /nfs/dbraw/zinc/61/84/86/567618486.db2.gz GXPCATUPGDDLIY-CZUORRHYSA-N -1 3 382.463 3.021 20 5 GGBDHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000480691398 567621556 /nfs/dbraw/zinc/62/15/56/567621556.db2.gz CNUSEWMCHRPICW-UHFFFAOYSA-N -1 3 376.843 3.105 20 5 GGBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1Cl ZINC000480741260 567626220 /nfs/dbraw/zinc/62/62/20/567626220.db2.gz NGAAEYYQOHKYIG-UHFFFAOYSA-N -1 3 384.841 3.352 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)cc1[N+](=O)[O-] ZINC000480983970 567649220 /nfs/dbraw/zinc/64/92/20/567649220.db2.gz GUIABGKXCUKFRW-UHFFFAOYSA-N -1 3 396.368 3.184 20 5 GGBDHM C[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507279423 567673037 /nfs/dbraw/zinc/67/30/37/567673037.db2.gz MCRBHXUFSHZPGQ-LBPRGKRZSA-N -1 3 389.905 3.037 20 5 GGBDHM C[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000507279421 567673185 /nfs/dbraw/zinc/67/31/85/567673185.db2.gz MCRBHXUFSHZPGQ-GFCCVEGCSA-N -1 3 389.905 3.037 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1[N+](=O)[O-] ZINC000442239581 567687434 /nfs/dbraw/zinc/68/74/34/567687434.db2.gz DHNFWXAXDUZMNJ-UHFFFAOYSA-N -1 3 378.740 3.336 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2SC)c([N+](=O)[O-])c1 ZINC000443082027 567729850 /nfs/dbraw/zinc/72/98/50/567729850.db2.gz RLLJSLOLHCGNRI-NSHDSACASA-N -1 3 382.463 3.365 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ccccc1SC ZINC000443087500 567729953 /nfs/dbraw/zinc/72/99/53/567729953.db2.gz KHRKEYCGAPIDBI-NSHDSACASA-N -1 3 382.463 3.365 20 5 GGBDHM O=C([N-]c1nc(C(F)(F)F)cs1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000508298483 567742542 /nfs/dbraw/zinc/74/25/42/567742542.db2.gz JGEBIVJSTUBSRG-UHFFFAOYSA-N -1 3 375.284 3.094 20 5 GGBDHM Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000533006871 567747540 /nfs/dbraw/zinc/74/75/40/567747540.db2.gz CPZNHTBFFJCNAY-UHFFFAOYSA-N -1 3 378.328 3.036 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-][C@H](c2cccs2)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000554907877 567755709 /nfs/dbraw/zinc/75/57/09/567755709.db2.gz JRAGOFIEFQIXKC-OAHLLOKOSA-N -1 3 384.479 3.003 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462065253 567764831 /nfs/dbraw/zinc/76/48/31/567764831.db2.gz BDPFFWMDZNGKRS-UHFFFAOYSA-N -1 3 396.368 3.162 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C3CC3)CCC2)c(Br)c1 ZINC000443724471 567772319 /nfs/dbraw/zinc/77/23/19/567772319.db2.gz ZBIDACRAMSWGIL-UHFFFAOYSA-N -1 3 389.271 3.216 20 5 GGBDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C2CC2)s1 ZINC000598612477 567778861 /nfs/dbraw/zinc/77/88/61/567778861.db2.gz PRHXYMDGMWCRGH-CQSZACIVSA-N -1 3 381.479 3.406 20 5 GGBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000533913077 567792786 /nfs/dbraw/zinc/79/27/86/567792786.db2.gz JEAHPBVIPVBHAF-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000534639879 567815357 /nfs/dbraw/zinc/81/53/57/567815357.db2.gz VVTLSYDSYWKXHG-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(OCC(F)(F)F)cc1 ZINC000013006866 570415552 /nfs/dbraw/zinc/41/55/52/570415552.db2.gz IVJJEPBRRRCRCB-UHFFFAOYSA-N -1 3 390.339 3.014 20 5 GGBDHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c([N+](=O)[O-])cc1[O-] ZINC000012556316 570859696 /nfs/dbraw/zinc/85/96/96/570859696.db2.gz PIGPWDQEVKSTND-HXPMCKFVSA-N -1 3 399.403 3.055 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3C[C@@H]3Cc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823644741 599034983 /nfs/dbraw/zinc/03/49/83/599034983.db2.gz LFZVANPHLTZWJW-UGSOOPFHSA-N -1 3 387.403 3.366 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3C[C@@H]3Cc3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000823644741 599034986 /nfs/dbraw/zinc/03/49/86/599034986.db2.gz LFZVANPHLTZWJW-UGSOOPFHSA-N -1 3 387.403 3.366 20 5 GGBDHM C[C@H](Sc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736194302 599065614 /nfs/dbraw/zinc/06/56/14/599065614.db2.gz ZMZJWRUSLWDGAD-VIFPVBQESA-N -1 3 388.384 3.033 20 5 GGBDHM C[C@H](Sc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000736194302 599065617 /nfs/dbraw/zinc/06/56/17/599065617.db2.gz ZMZJWRUSLWDGAD-VIFPVBQESA-N -1 3 388.384 3.033 20 5 GGBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000736818942 599120804 /nfs/dbraw/zinc/12/08/04/599120804.db2.gz ZXSFGACMIWAVDH-UHFFFAOYSA-N -1 3 389.213 3.174 20 5 GGBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1cc(Br)ccc1[N+](=O)[O-] ZINC000736818942 599120807 /nfs/dbraw/zinc/12/08/07/599120807.db2.gz ZXSFGACMIWAVDH-UHFFFAOYSA-N -1 3 389.213 3.174 20 5 GGBDHM O=[N+]([O-])c1ccc(Cl)cc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000738360662 599165566 /nfs/dbraw/zinc/16/55/66/599165566.db2.gz RUSXZVFKDZBDQR-UHFFFAOYSA-N -1 3 399.754 3.057 20 5 GGBDHM O=[N+]([O-])c1ccc(Cl)cc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000738360662 599165567 /nfs/dbraw/zinc/16/55/67/599165567.db2.gz RUSXZVFKDZBDQR-UHFFFAOYSA-N -1 3 399.754 3.057 20 5 GGBDHM CC(C)(C)c1ccc([C@H](O)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000735648425 599170649 /nfs/dbraw/zinc/17/06/49/599170649.db2.gz DTEGDRBEJXEEBC-QGZVFWFLSA-N -1 3 382.424 3.218 20 5 GGBDHM CC(C)(C)c1ccc([C@H](O)CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000735648425 599170651 /nfs/dbraw/zinc/17/06/51/599170651.db2.gz DTEGDRBEJXEEBC-QGZVFWFLSA-N -1 3 382.424 3.218 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000738359706 599173938 /nfs/dbraw/zinc/17/39/38/599173938.db2.gz MIUNAMUBWZVPIP-UHFFFAOYSA-N -1 3 381.783 3.340 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000738359706 599173941 /nfs/dbraw/zinc/17/39/41/599173941.db2.gz MIUNAMUBWZVPIP-UHFFFAOYSA-N -1 3 381.783 3.340 20 5 GGBDHM O=[N+]([O-])c1cc(Br)ccc1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000738358185 599174377 /nfs/dbraw/zinc/17/43/77/599174377.db2.gz AMVZUJIYYKAQLA-UHFFFAOYSA-N -1 3 376.170 3.116 20 5 GGBDHM O=[N+]([O-])c1cc(Br)ccc1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000738358185 599174380 /nfs/dbraw/zinc/17/43/80/599174380.db2.gz AMVZUJIYYKAQLA-UHFFFAOYSA-N -1 3 376.170 3.116 20 5 GGBDHM CC(C)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735817608 599184007 /nfs/dbraw/zinc/18/40/07/599184007.db2.gz CXCOFPVZBDSTOH-UHFFFAOYSA-N -1 3 380.408 3.007 20 5 GGBDHM CC(C)CN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817608 599184009 /nfs/dbraw/zinc/18/40/09/599184009.db2.gz CXCOFPVZBDSTOH-UHFFFAOYSA-N -1 3 380.408 3.007 20 5 GGBDHM Cc1cccc(OCCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000737409198 599260309 /nfs/dbraw/zinc/26/03/09/599260309.db2.gz BQURSCHCSWLLDS-UHFFFAOYSA-N -1 3 391.391 3.122 20 5 GGBDHM Cc1cccc(OCCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000737409198 599260312 /nfs/dbraw/zinc/26/03/12/599260312.db2.gz BQURSCHCSWLLDS-UHFFFAOYSA-N -1 3 391.391 3.122 20 5 GGBDHM CCCCSc1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000821077370 599284069 /nfs/dbraw/zinc/28/40/69/599284069.db2.gz COCSDGYXPHAJEX-UHFFFAOYSA-N -1 3 396.483 3.065 20 5 GGBDHM Cc1ccc(-c2nc(CCNc3ccc(-c4nnn[n-]4)cc3[N+](=O)[O-])co2)cc1 ZINC000737289817 598248441 /nfs/dbraw/zinc/24/84/41/598248441.db2.gz XMMGDHQNAOWPTJ-UHFFFAOYSA-N -1 3 391.391 3.393 20 5 GGBDHM Cc1ccc(-c2nc(CCNc3ccc(-c4nn[n-]n4)cc3[N+](=O)[O-])co2)cc1 ZINC000737289817 598248443 /nfs/dbraw/zinc/24/84/43/598248443.db2.gz XMMGDHQNAOWPTJ-UHFFFAOYSA-N -1 3 391.391 3.393 20 5 GGBDHM O=[N+]([O-])c1cnc(N2Cc3ccccc3-c3ccccc3C2)c(-c2nnn[n-]2)c1 ZINC000738370224 598299741 /nfs/dbraw/zinc/29/97/41/598299741.db2.gz RVGPNUVNUUUMQD-UHFFFAOYSA-N -1 3 385.387 3.357 20 5 GGBDHM O=[N+]([O-])c1cnc(N2Cc3ccccc3-c3ccccc3C2)c(-c2nn[n-]n2)c1 ZINC000738370224 598299743 /nfs/dbraw/zinc/29/97/43/598299743.db2.gz RVGPNUVNUUUMQD-UHFFFAOYSA-N -1 3 385.387 3.357 20 5 GGBDHM O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccc(-c3nnn[n-]3)cc2F)o1 ZINC000738369258 598315683 /nfs/dbraw/zinc/31/56/83/598315683.db2.gz JSJMMTVCMBNRLL-UHFFFAOYSA-N -1 3 394.366 3.464 20 5 GGBDHM O=[N+]([O-])c1ccccc1-c1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)o1 ZINC000738369258 598315685 /nfs/dbraw/zinc/31/56/85/598315685.db2.gz JSJMMTVCMBNRLL-UHFFFAOYSA-N -1 3 394.366 3.464 20 5 GGBDHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000737356032 598475456 /nfs/dbraw/zinc/47/54/56/598475456.db2.gz DAQNCBXJZHGNDG-UHFFFAOYSA-N -1 3 393.407 3.280 20 5 GGBDHM Cc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1[N+](=O)[O-] ZINC000737356032 598475459 /nfs/dbraw/zinc/47/54/59/598475459.db2.gz DAQNCBXJZHGNDG-UHFFFAOYSA-N -1 3 393.407 3.280 20 5 GGBDHM O=[N+]([O-])c1ccc(NCCCOc2cccc3cccnc32)c(-c2nnn[n-]2)c1 ZINC000738368949 598628793 /nfs/dbraw/zinc/62/87/93/598628793.db2.gz GGFATIADKGGCON-UHFFFAOYSA-N -1 3 391.391 3.204 20 5 GGBDHM O=[N+]([O-])c1ccc(NCCCOc2cccc3cccnc32)c(-c2nn[n-]n2)c1 ZINC000738368949 598628795 /nfs/dbraw/zinc/62/87/95/598628795.db2.gz GGFATIADKGGCON-UHFFFAOYSA-N -1 3 391.391 3.204 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccccc3Cl)C2)c(-c2nnn[n-]2)c1 ZINC000738368304 598756727 /nfs/dbraw/zinc/75/67/27/598756727.db2.gz BTHINXLEVLLALK-INIZCTEOSA-N -1 3 386.799 3.006 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3ccccc3Cl)C2)c(-c2nn[n-]n2)c1 ZINC000738368304 598756728 /nfs/dbraw/zinc/75/67/28/598756728.db2.gz BTHINXLEVLLALK-INIZCTEOSA-N -1 3 386.799 3.006 20 5 GGBDHM COc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1Br ZINC000737104735 598773479 /nfs/dbraw/zinc/77/34/79/598773479.db2.gz ADCOSJDHSNQFDZ-UHFFFAOYSA-N -1 3 391.185 3.290 20 5 GGBDHM COc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1Br ZINC000737104735 598773481 /nfs/dbraw/zinc/77/34/81/598773481.db2.gz ADCOSJDHSNQFDZ-UHFFFAOYSA-N -1 3 391.185 3.290 20 5 GGBDHM O=[N+]([O-])c1ccc(N(Cc2ccccc2)CC2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000738369653 598816864 /nfs/dbraw/zinc/81/68/64/598816864.db2.gz LGVXPDKYKLEJCZ-UHFFFAOYSA-N -1 3 394.435 3.208 20 5 GGBDHM O=[N+]([O-])c1ccc(N(Cc2ccccc2)CC2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000738369653 598816866 /nfs/dbraw/zinc/81/68/66/598816866.db2.gz LGVXPDKYKLEJCZ-UHFFFAOYSA-N -1 3 394.435 3.208 20 5 GGBDHM O=[N+]([O-])c1cnc(Sc2ccccc2Br)c(-c2nnn[n-]2)c1 ZINC000823651084 599321911 /nfs/dbraw/zinc/32/19/11/599321911.db2.gz FEGHWTFAKFEJTI-UHFFFAOYSA-N -1 3 379.199 3.084 20 5 GGBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000736816309 599323722 /nfs/dbraw/zinc/32/37/22/599323722.db2.gz GADPPRHHHHYFGM-UHFFFAOYSA-N -1 3 376.323 3.013 20 5 GGBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000736816309 599323724 /nfs/dbraw/zinc/32/37/24/599323724.db2.gz GADPPRHHHHYFGM-UHFFFAOYSA-N -1 3 376.323 3.013 20 5 GGBDHM CN(C)c1cc(CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c2ccccc2n1 ZINC000821588350 599360278 /nfs/dbraw/zinc/36/02/78/599360278.db2.gz NYUQRSFWCVPMIM-UHFFFAOYSA-N -1 3 390.407 3.001 20 5 GGBDHM CN(C)c1cc(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c2ccccc2n1 ZINC000821588350 599360281 /nfs/dbraw/zinc/36/02/81/599360281.db2.gz NYUQRSFWCVPMIM-UHFFFAOYSA-N -1 3 390.407 3.001 20 5 GGBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000735661596 599371538 /nfs/dbraw/zinc/37/15/38/599371538.db2.gz ODPDTYATFVFQPV-UHFFFAOYSA-N -1 3 389.803 3.237 20 5 GGBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000735661596 599371541 /nfs/dbraw/zinc/37/15/41/599371541.db2.gz ODPDTYATFVFQPV-UHFFFAOYSA-N -1 3 389.803 3.237 20 5 GGBDHM COc1ccc([N+](=O)[O-])c(NCCSCc2ccccc2-c2nnn[n-]2)c1 ZINC000821846571 599465443 /nfs/dbraw/zinc/46/54/43/599465443.db2.gz UQQHKOMHYGICCZ-UHFFFAOYSA-N -1 3 386.437 3.129 20 5 GGBDHM COc1ccc([N+](=O)[O-])c(NCCSCc2ccccc2-c2nn[n-]n2)c1 ZINC000821846571 599465445 /nfs/dbraw/zinc/46/54/45/599465445.db2.gz UQQHKOMHYGICCZ-UHFFFAOYSA-N -1 3 386.437 3.129 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(NCCc3cc(F)cc(F)c3)cc(-c3nnn[n-]3)c2c1 ZINC000823644062 599510380 /nfs/dbraw/zinc/51/03/80/599510380.db2.gz FCJXEQRVJUJVAR-UHFFFAOYSA-N -1 3 397.345 3.256 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(NCCc3cc(F)cc(F)c3)cc(-c3nn[n-]n3)c2c1 ZINC000823644062 599510381 /nfs/dbraw/zinc/51/03/81/599510381.db2.gz FCJXEQRVJUJVAR-UHFFFAOYSA-N -1 3 397.345 3.256 20 5 GGBDHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000738265915 599533161 /nfs/dbraw/zinc/53/31/61/599533161.db2.gz GNJMAAXAHCTFHH-CQSZACIVSA-N -1 3 396.382 3.013 20 5 GGBDHM O=C(c1ccc(F)cc1)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000738265915 599533164 /nfs/dbraw/zinc/53/31/64/599533164.db2.gz GNJMAAXAHCTFHH-CQSZACIVSA-N -1 3 396.382 3.013 20 5 GGBDHM Cc1nc(C)c(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822432009 599545387 /nfs/dbraw/zinc/54/53/87/599545387.db2.gz SUMFPKFDVYALKR-UHFFFAOYSA-N -1 3 396.436 3.051 20 5 GGBDHM Cc1nc(C)c(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)s1 ZINC000822432009 599545390 /nfs/dbraw/zinc/54/53/90/599545390.db2.gz SUMFPKFDVYALKR-UHFFFAOYSA-N -1 3 396.436 3.051 20 5 GGBDHM CS[C@@H]1CCC[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821951302 599562344 /nfs/dbraw/zinc/56/23/44/599562344.db2.gz WBSPOKWBVQZGOZ-ZYHUDNBSSA-N -1 3 385.453 3.409 20 5 GGBDHM CS[C@@H]1CCC[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821951302 599562345 /nfs/dbraw/zinc/56/23/45/599562345.db2.gz WBSPOKWBVQZGOZ-ZYHUDNBSSA-N -1 3 385.453 3.409 20 5 GGBDHM Cc1c(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822020870 607399363 /nfs/dbraw/zinc/39/93/63/607399363.db2.gz LOXPNWZIHLZGGE-UHFFFAOYSA-N -1 3 382.380 3.123 20 5 GGBDHM Cc1c(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822020870 607399365 /nfs/dbraw/zinc/39/93/65/607399365.db2.gz LOXPNWZIHLZGGE-UHFFFAOYSA-N -1 3 382.380 3.123 20 5 GGBDHM C[C@@](NCc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736665800 600079221 /nfs/dbraw/zinc/07/92/21/600079221.db2.gz ZHCOMUMGMZJQET-INIZCTEOSA-N -1 3 379.210 3.447 20 5 GGBDHM CN(CCNc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000737442779 600432607 /nfs/dbraw/zinc/43/26/07/600432607.db2.gz KDPFWOHTSUWDIP-UHFFFAOYSA-N -1 3 383.404 3.030 20 5 GGBDHM C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736815102 600692297 /nfs/dbraw/zinc/69/22/97/600692297.db2.gz NSINMEVQOKYNDF-OAHLLOKOSA-N -1 3 397.431 3.030 20 5 GGBDHM C[C@H]1C[C@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CCN1C ZINC000828184379 600817304 /nfs/dbraw/zinc/81/73/04/600817304.db2.gz PSGYVAKVYMQSLO-DZGCQCFKSA-N -1 3 397.431 3.419 20 5 GGBDHM CN(C)Cc1c2ccccc2oc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000830619970 600974764 /nfs/dbraw/zinc/97/47/64/600974764.db2.gz KXTPTCAPEYYCPJ-UHFFFAOYSA-N -1 3 383.360 3.353 20 5 GGBDHM CN1CCC(N(Cc2ccccc2)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000830923605 601331818 /nfs/dbraw/zinc/33/18/18/601331818.db2.gz NPHSAJQNIZQYAU-UHFFFAOYSA-N -1 3 397.431 3.030 20 5 GGBDHM Cc1cc(N2CCCN(Cc3ccc(F)cc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567981728 601544415 /nfs/dbraw/zinc/54/44/15/601544415.db2.gz WPHLTYLVMYUVLL-UHFFFAOYSA-N -1 3 387.411 3.453 20 5 GGBDHM CN(CCOc1cccc([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830794929 601901269 /nfs/dbraw/zinc/90/12/69/601901269.db2.gz BQJWTJPDQBJYCB-INIZCTEOSA-N -1 3 384.310 3.149 20 5 GGBDHM Cc1c(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cccc1-c1nnn[n-]1 ZINC000826241792 607620285 /nfs/dbraw/zinc/62/02/85/607620285.db2.gz OYADXNHTGPKEJA-UHFFFAOYSA-N -1 3 393.407 3.280 20 5 GGBDHM Cc1c(NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cccc1-c1nn[n-]n1 ZINC000826241792 607620287 /nfs/dbraw/zinc/62/02/87/607620287.db2.gz OYADXNHTGPKEJA-UHFFFAOYSA-N -1 3 393.407 3.280 20 5 GGBDHM Cc1c(CC(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000826236418 607670202 /nfs/dbraw/zinc/67/02/02/607670202.db2.gz LEFLFPNRYWDLNZ-UHFFFAOYSA-N -1 3 396.407 3.052 20 5 GGBDHM Cc1c(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000826236418 607670204 /nfs/dbraw/zinc/67/02/04/607670204.db2.gz LEFLFPNRYWDLNZ-UHFFFAOYSA-N -1 3 396.407 3.052 20 5 GGBDHM O=C([O-])[C@H](O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000833770313 604760124 /nfs/dbraw/zinc/76/01/24/604760124.db2.gz CTDQXEVJJCVBOS-QGZVFWFLSA-N -1 3 394.811 3.166 20 5 GGBDHM C[C@@H]1CN(CCCCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000828449314 604776393 /nfs/dbraw/zinc/77/63/93/604776393.db2.gz JXXSGBQWXXJWHE-TXEJJXNPSA-N -1 3 385.848 3.248 20 5 GGBDHM CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@H]1c1ccccc1 ZINC000820995411 606039164 /nfs/dbraw/zinc/03/91/64/606039164.db2.gz QXSNBNYZVVKRGW-CZUORRHYSA-N -1 3 379.424 3.190 20 5 GGBDHM CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[C@H]1c1ccccc1 ZINC000820995411 606039170 /nfs/dbraw/zinc/03/91/70/606039170.db2.gz QXSNBNYZVVKRGW-CZUORRHYSA-N -1 3 379.424 3.190 20 5 GGBDHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820921007 606353860 /nfs/dbraw/zinc/35/38/60/606353860.db2.gz UTLUDFMZLBIRGA-CQSZACIVSA-N -1 3 385.359 3.187 20 5 GGBDHM CC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820921007 606353861 /nfs/dbraw/zinc/35/38/61/606353861.db2.gz UTLUDFMZLBIRGA-CQSZACIVSA-N -1 3 385.359 3.187 20 5 GGBDHM Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229179 606440428 /nfs/dbraw/zinc/44/04/28/606440428.db2.gz OKIHFPWYTSXMIW-STQMWFEESA-N -1 3 395.423 3.205 20 5 GGBDHM Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229179 606440430 /nfs/dbraw/zinc/44/04/30/606440430.db2.gz OKIHFPWYTSXMIW-STQMWFEESA-N -1 3 395.423 3.205 20 5 GGBDHM CN(c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCc2ccccc21 ZINC000821619335 606446915 /nfs/dbraw/zinc/44/69/15/606446915.db2.gz RLLSJDFRRVDJML-GOSISDBHSA-N -1 3 387.403 3.447 20 5 GGBDHM CN(c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCc2ccccc21 ZINC000821619335 606446916 /nfs/dbraw/zinc/44/69/16/606446916.db2.gz RLLSJDFRRVDJML-GOSISDBHSA-N -1 3 387.403 3.447 20 5 GGBDHM CN(Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000821609787 606482006 /nfs/dbraw/zinc/48/20/06/606482006.db2.gz LUYHXOXGGFNFBO-UHFFFAOYSA-N -1 3 390.350 3.008 20 5 GGBDHM CN(Cc1ccc(-c2nn[n-]n2)cc1OC(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000821609787 606482007 /nfs/dbraw/zinc/48/20/07/606482007.db2.gz LUYHXOXGGFNFBO-UHFFFAOYSA-N -1 3 390.350 3.008 20 5 GGBDHM O=[N+]([O-])c1cccc2c1ccn2Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823648624 606595974 /nfs/dbraw/zinc/59/59/74/606595974.db2.gz ZHZGXMBJFZQYMZ-UHFFFAOYSA-N -1 3 386.318 3.379 20 5 GGBDHM O=[N+]([O-])c1cccc2c1ccn2Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823648624 606595976 /nfs/dbraw/zinc/59/59/76/606595976.db2.gz ZHZGXMBJFZQYMZ-UHFFFAOYSA-N -1 3 386.318 3.379 20 5 GGBDHM CC[C@H](NC(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920348 606603583 /nfs/dbraw/zinc/60/35/83/606603583.db2.gz PFRQWVXZUQRDPN-KRWDZBQOSA-N -1 3 395.423 3.068 20 5 GGBDHM CC[C@H](NC(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820920348 606603584 /nfs/dbraw/zinc/60/35/84/606603584.db2.gz PFRQWVXZUQRDPN-KRWDZBQOSA-N -1 3 395.423 3.068 20 5 GGBDHM COCCCOc1cc(C)ccc1CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821687508 606726511 /nfs/dbraw/zinc/72/65/11/606726511.db2.gz CEBDHTQUQONXNL-UHFFFAOYSA-N -1 3 398.423 3.111 20 5 GGBDHM COCCCOc1cc(C)ccc1CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821687508 606726512 /nfs/dbraw/zinc/72/65/12/606726512.db2.gz CEBDHTQUQONXNL-UHFFFAOYSA-N -1 3 398.423 3.111 20 5 GGBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823414038 606758288 /nfs/dbraw/zinc/75/82/88/606758288.db2.gz QJAJMRKWRJUGIG-UHFFFAOYSA-N -1 3 395.709 3.064 20 5 GGBDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823414038 606758290 /nfs/dbraw/zinc/75/82/90/606758290.db2.gz QJAJMRKWRJUGIG-UHFFFAOYSA-N -1 3 395.709 3.064 20 5 GGBDHM COC(=O)c1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(C)c1[N+](=O)[O-] ZINC000821668003 606786667 /nfs/dbraw/zinc/78/66/67/606786667.db2.gz KONFIZJULXMFJY-LLVKDONJSA-N -1 3 382.380 3.043 20 5 GGBDHM COC(=O)c1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(C)c1[N+](=O)[O-] ZINC000821668003 606786669 /nfs/dbraw/zinc/78/66/69/606786669.db2.gz KONFIZJULXMFJY-LLVKDONJSA-N -1 3 382.380 3.043 20 5 GGBDHM Cc1ccc(OC(F)F)c(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822263633 606799654 /nfs/dbraw/zinc/79/96/54/606799654.db2.gz WEBNJMPRQLLYJD-UHFFFAOYSA-N -1 3 376.323 3.297 20 5 GGBDHM Cc1ccc(OC(F)F)c(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000822263633 606799656 /nfs/dbraw/zinc/79/96/56/606799656.db2.gz WEBNJMPRQLLYJD-UHFFFAOYSA-N -1 3 376.323 3.297 20 5 GGBDHM O=C(Nc1sc2c(c1-c1nnn[n-]1)CCCCCC2)c1ccc([N+](=O)[O-])cn1 ZINC000823387380 606812251 /nfs/dbraw/zinc/81/22/51/606812251.db2.gz IZJRGHXDFGQUJU-UHFFFAOYSA-N -1 3 399.436 3.143 20 5 GGBDHM O=C(Nc1sc2c(c1-c1nn[n-]n1)CCCCCC2)c1ccc([N+](=O)[O-])cn1 ZINC000823387380 606812252 /nfs/dbraw/zinc/81/22/52/606812252.db2.gz IZJRGHXDFGQUJU-UHFFFAOYSA-N -1 3 399.436 3.143 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000823630308 607048383 /nfs/dbraw/zinc/04/83/83/607048383.db2.gz WMQCXFPGNMSUMU-YOEHRIQHSA-N -1 3 398.423 3.241 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000823630308 607048384 /nfs/dbraw/zinc/04/83/84/607048384.db2.gz WMQCXFPGNMSUMU-YOEHRIQHSA-N -1 3 398.423 3.241 20 5 GGBDHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820479763 607082738 /nfs/dbraw/zinc/08/27/38/607082738.db2.gz BYBKGDBOOPDTPY-LBPRGKRZSA-N -1 3 397.391 3.237 20 5 GGBDHM C[C@H](OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820479763 607082740 /nfs/dbraw/zinc/08/27/40/607082740.db2.gz BYBKGDBOOPDTPY-LBPRGKRZSA-N -1 3 397.391 3.237 20 5 GGBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000823318700 607241758 /nfs/dbraw/zinc/24/17/58/607241758.db2.gz IEGHCDJHHMPQAF-UHFFFAOYSA-N -1 3 379.163 3.334 20 5 GGBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000823318700 607241759 /nfs/dbraw/zinc/24/17/59/607241759.db2.gz IEGHCDJHHMPQAF-UHFFFAOYSA-N -1 3 379.163 3.334 20 5 GGBDHM C[C@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824753999 607816950 /nfs/dbraw/zinc/81/69/50/607816950.db2.gz HCAXVZYGPUONDI-NSHDSACASA-N -1 3 384.421 3.035 20 5 GGBDHM C[C@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824753999 607816951 /nfs/dbraw/zinc/81/69/51/607816951.db2.gz HCAXVZYGPUONDI-NSHDSACASA-N -1 3 384.421 3.035 20 5 GGBDHM CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825376727 607877994 /nfs/dbraw/zinc/87/79/94/607877994.db2.gz MQEFEHYIEGEBFK-UHFFFAOYSA-N -1 3 386.799 3.024 20 5 GGBDHM CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825376727 607877995 /nfs/dbraw/zinc/87/79/95/607877995.db2.gz MQEFEHYIEGEBFK-UHFFFAOYSA-N -1 3 386.799 3.024 20 5 GGBDHM COc1cc(-c2nnn[n-]2)ccc1OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826176694 608019113 /nfs/dbraw/zinc/01/91/13/608019113.db2.gz ZKMMMYRYHFSTOS-UHFFFAOYSA-N -1 3 394.347 3.018 20 5 GGBDHM COc1cc(-c2nn[n-]n2)ccc1OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826176694 608019114 /nfs/dbraw/zinc/01/91/14/608019114.db2.gz ZKMMMYRYHFSTOS-UHFFFAOYSA-N -1 3 394.347 3.018 20 5 GGBDHM Cc1cc(-c2nn[n-]n2)ccc1OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826255151 608024377 /nfs/dbraw/zinc/02/43/77/608024377.db2.gz NPCAETMQRXQQAO-UHFFFAOYSA-N -1 3 378.348 3.317 20 5 GGBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000826450183 608160653 /nfs/dbraw/zinc/16/06/53/608160653.db2.gz ACYXPUPQOKITEI-AAEUAGOBSA-N -1 3 398.810 3.246 20 5 GGBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000826450183 608160655 /nfs/dbraw/zinc/16/06/55/608160655.db2.gz ACYXPUPQOKITEI-AAEUAGOBSA-N -1 3 398.810 3.246 20 5 GGBDHM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(-c2nnn[n-]2)c1C ZINC000826350307 608265079 /nfs/dbraw/zinc/26/50/79/608265079.db2.gz QAWVTZOCPXFFBU-UHFFFAOYSA-N -1 3 395.404 3.254 20 5 GGBDHM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c(-c2nn[n-]n2)c1C ZINC000826350307 608265080 /nfs/dbraw/zinc/26/50/80/608265080.db2.gz QAWVTZOCPXFFBU-UHFFFAOYSA-N -1 3 395.404 3.254 20 5 GGBDHM C[C@@H](COc1ccccc1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824448634 608374687 /nfs/dbraw/zinc/37/46/87/608374687.db2.gz JELVRDXBWUILLD-LBPRGKRZSA-N -1 3 391.391 3.203 20 5 GGBDHM C[C@@H](COc1ccccc1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824448634 608374689 /nfs/dbraw/zinc/37/46/89/608374689.db2.gz JELVRDXBWUILLD-LBPRGKRZSA-N -1 3 391.391 3.203 20 5 GGBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824338041 608539470 /nfs/dbraw/zinc/53/94/70/608539470.db2.gz NXDIQXASJNTPRH-UHFFFAOYSA-N -1 3 398.448 3.205 20 5 GGBDHM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824338041 608539471 /nfs/dbraw/zinc/53/94/71/608539471.db2.gz NXDIQXASJNTPRH-UHFFFAOYSA-N -1 3 398.448 3.205 20 5 GGBDHM CC(C)(C)OC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000824114136 608585048 /nfs/dbraw/zinc/58/50/48/608585048.db2.gz KAOQQYXLDNLMSS-UHFFFAOYSA-N -1 3 396.407 3.342 20 5 GGBDHM CC(C)(C)OC(=O)c1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000824114136 608585050 /nfs/dbraw/zinc/58/50/50/608585050.db2.gz KAOQQYXLDNLMSS-UHFFFAOYSA-N -1 3 396.407 3.342 20 5 GGBDHM O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)c(Cl)c1 ZINC000826499115 608866557 /nfs/dbraw/zinc/86/65/57/608866557.db2.gz WLRSJBKXZPACIK-UHFFFAOYSA-N -1 3 396.798 3.431 20 5 GGBDHM O=[N+]([O-])c1ccc(NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)c(Cl)c1 ZINC000826499115 608866560 /nfs/dbraw/zinc/86/65/60/608866560.db2.gz WLRSJBKXZPACIK-UHFFFAOYSA-N -1 3 396.798 3.431 20 5 GGBDHM O=C(OCc1ccc(Cl)cc1-c1nnn[n-]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000826465388 609156145 /nfs/dbraw/zinc/15/61/45/609156145.db2.gz LHGBOUQOCVTJMX-UHFFFAOYSA-N -1 3 398.766 3.267 20 5 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JCEJHQAWYGFQHY-UHFFFAOYSA-N -1 3 397.416 3.156 20 5 GGBDHM COC(=O)c1ccc(OCc2cc(=O)oc3c(C)c([O-])ccc23)c([N+](=O)[O-])c1 ZINC000105460280 1411067979 /nfs/dbraw/zinc/06/79/79/1411067979.db2.gz KJLJUEQSFRMXHH-UHFFFAOYSA-N -1 3 385.328 3.081 20 5 GGBDHM Nc1c(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)cc(F)cc1[N+](=O)[O-] ZINC000106831764 1411308174 /nfs/dbraw/zinc/30/81/74/1411308174.db2.gz MYMCNXPFBZKACZ-UHFFFAOYSA-N -1 3 391.359 3.150 20 5 GGBDHM CC(C)(c1nnc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1)c1ccccc1 ZINC000106921263 1411321099 /nfs/dbraw/zinc/32/10/99/1411321099.db2.gz UCGZALVBJOAYOW-UHFFFAOYSA-N -1 3 385.405 3.125 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000108153075 1411443674 /nfs/dbraw/zinc/44/36/74/1411443674.db2.gz OULUZSUCANUVJI-UHFFFAOYSA-N -1 3 376.362 3.213 20 5 GGBDHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000111577663 1411995037 /nfs/dbraw/zinc/99/50/37/1411995037.db2.gz FMKPYTZKXOQFGG-LLVKDONJSA-N -1 3 395.824 3.259 20 5 GGBDHM 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ZINC000826179603 1429063714 /nfs/dbraw/zinc/06/37/14/1429063714.db2.gz VZEFFLRYBAUPPC-UHFFFAOYSA-N -1 3 396.451 3.442 20 5 GGBDHM COc1cc(CN(Cc2ccc(-c3nnn[n-]3)cc2)CC(C)C)ccc1[N+](=O)[O-] ZINC000826179603 1429063720 /nfs/dbraw/zinc/06/37/20/1429063720.db2.gz VZEFFLRYBAUPPC-UHFFFAOYSA-N -1 3 396.451 3.442 20 5 GGBDHM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000129958587 1416290746 /nfs/dbraw/zinc/29/07/46/1416290746.db2.gz JHGHHQCEQYYLMC-SECBINFHSA-N -1 3 397.309 3.076 20 5 GGBDHM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000129958385 1416290837 /nfs/dbraw/zinc/29/08/37/1416290837.db2.gz JHGHHQCEQYYLMC-VIFPVBQESA-N -1 3 397.309 3.076 20 5 GGBDHM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000130212862 1416340747 /nfs/dbraw/zinc/34/07/47/1416340747.db2.gz XRXSMIUTTPYKSY-UHFFFAOYSA-N -1 3 378.323 3.320 20 5 GGBDHM Nc1c(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)cc(F)cc1[N+](=O)[O-] ZINC000134483475 1417075167 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MCMVORJWRWFUOT-UHFFFAOYSA-N -1 3 396.293 3.370 20 5 GGBDHM CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])c(C)c2)CC1 ZINC000179393230 1429356905 /nfs/dbraw/zinc/35/69/05/1429356905.db2.gz LVNMILXYLOGAAE-UHFFFAOYSA-N -1 3 384.436 3.003 20 5 GGBDHM O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(Cl)cc1[O-] ZINC000153689233 1422704304 /nfs/dbraw/zinc/70/43/04/1422704304.db2.gz RIYALZBAVYAIDH-UHFFFAOYSA-N -1 3 391.767 3.281 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)cc1 ZINC000153846590 1422795486 /nfs/dbraw/zinc/79/54/86/1422795486.db2.gz FYBIPZRDMXUVLL-UHFFFAOYSA-N -1 3 375.450 3.382 20 5 GGBDHM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000154221098 1422857505 /nfs/dbraw/zinc/85/75/05/1422857505.db2.gz PUNCKKFIMOXRTF-SNVBAGLBSA-N -1 3 395.437 3.253 20 5 GGBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000154303300 1422869582 /nfs/dbraw/zinc/86/95/82/1422869582.db2.gz YQMVQKAZGZCXOB-UHFFFAOYSA-N -1 3 392.330 3.274 20 5 GGBDHM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000179932897 1429649299 /nfs/dbraw/zinc/64/92/99/1429649299.db2.gz WJZRKWFBFGQQAG-UHFFFAOYSA-N -1 3 395.400 3.412 20 5 GGBDHM Cc1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cnn1CCC(C)C ZINC000157391778 1424001009 /nfs/dbraw/zinc/00/10/09/1424001009.db2.gz XKXBXDHJEWZRBS-UHFFFAOYSA-N -1 3 380.470 3.130 20 5 GGBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1 ZINC000157838225 1424100367 /nfs/dbraw/zinc/10/03/67/1424100367.db2.gz AWGRSBAANADQCT-UHFFFAOYSA-N -1 3 393.490 3.257 20 5 GGBDHM C[C@@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000158154803 1424180837 /nfs/dbraw/zinc/18/08/37/1424180837.db2.gz SUKZXKBDVCJBNO-JOYOIKCWSA-N -1 3 390.870 3.100 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1([C@@H](O)c2ccccc2)CC1 ZINC000159266942 1424465248 /nfs/dbraw/zinc/46/52/48/1424465248.db2.gz VEVYJEMWXVCENU-INIZCTEOSA-N -1 3 396.852 3.040 20 5 GGBDHM Cc1noc(C)c1[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163360966 1424984586 /nfs/dbraw/zinc/98/45/86/1424984586.db2.gz QDPZSTXYBZCHDY-MRVPVSSYSA-N -1 3 393.343 3.258 20 5 GGBDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163361121 1424984895 /nfs/dbraw/zinc/98/48/95/1424984895.db2.gz QDPZSTXYBZCHDY-QMMMGPOBSA-N -1 3 393.343 3.258 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccccc3)C2)c(Cl)c1 ZINC000163401758 1424991872 /nfs/dbraw/zinc/99/18/72/1424991872.db2.gz CTBMGWJHHCVOPP-BBRMVZONSA-N -1 3 396.852 3.447 20 5 GGBDHM COCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000163469451 1425004366 /nfs/dbraw/zinc/00/43/66/1425004366.db2.gz BQOCTAFVHVSRNK-UHFFFAOYSA-N -1 3 396.387 3.099 20 5 GGBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820571123 1425433568 /nfs/dbraw/zinc/43/35/68/1425433568.db2.gz WAUYYZLYPZKAOT-HNNXBMFYSA-N -1 3 393.451 3.048 20 5 GGBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820571123 1425433572 /nfs/dbraw/zinc/43/35/72/1425433572.db2.gz WAUYYZLYPZKAOT-HNNXBMFYSA-N -1 3 393.451 3.048 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2nccs2)c2ccccc2)c(F)c1 ZINC000171713168 1425800688 /nfs/dbraw/zinc/80/06/88/1425800688.db2.gz SVPGGYVLCKAMDH-HNNXBMFYSA-N -1 3 393.421 3.258 20 5 GGBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)ccc3[N+](=O)[O-])c2)n1 ZINC000172818840 1426202884 /nfs/dbraw/zinc/20/28/84/1426202884.db2.gz NMVSGRBNCHIFDS-UHFFFAOYSA-N -1 3 378.388 3.468 20 5 GGBDHM CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000172862180 1426226776 /nfs/dbraw/zinc/22/67/76/1426226776.db2.gz NNOAKLDPEQPYAL-KRWDZBQOSA-N -1 3 377.441 3.242 20 5 GGBDHM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000175302961 1427662272 /nfs/dbraw/zinc/66/22/72/1427662272.db2.gz MGFCGYZJRIQCPD-UHFFFAOYSA-N -1 3 377.282 3.154 20 5 GGBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175809964 1427903045 /nfs/dbraw/zinc/90/30/45/1427903045.db2.gz QDYVZYIKPIIPMG-UHFFFAOYSA-N -1 3 379.825 3.468 20 5 GGBDHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000175823605 1427912256 /nfs/dbraw/zinc/91/22/56/1427912256.db2.gz IJJWDRRWZPYXFV-UHFFFAOYSA-N -1 3 393.277 3.413 20 5 GGBDHM O=C([N-]c1c(F)cc(Cl)cc1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000180334116 1429838630 /nfs/dbraw/zinc/83/86/30/1429838630.db2.gz VWRCYBVSKPUVCW-UHFFFAOYSA-N -1 3 379.710 3.359 20 5 GGBDHM COc1cc(CNc2nnc(CCCc3ccccc3)o2)c([N+](=O)[O-])cc1[O-] ZINC000181839692 1430370506 /nfs/dbraw/zinc/37/05/06/1430370506.db2.gz LSWPSBGKJGHWBW-UHFFFAOYSA-N -1 3 384.392 3.479 20 5 GGBDHM CN(C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181937314 1430386054 /nfs/dbraw/zinc/38/60/54/1430386054.db2.gz YJRNZUDMZXWAFQ-UHFFFAOYSA-N -1 3 377.828 3.158 20 5 GGBDHM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000183271026 1430666408 /nfs/dbraw/zinc/66/64/08/1430666408.db2.gz QQRYEKBFBQVKHH-UHFFFAOYSA-N -1 3 375.747 3.349 20 5 GGBDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C(C)(C)O1 ZINC000183305597 1430674168 /nfs/dbraw/zinc/67/41/68/1430674168.db2.gz SDSOCWCBRDCOAG-LBPRGKRZSA-N -1 3 396.387 3.238 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000184558449 1430904021 /nfs/dbraw/zinc/90/40/21/1430904021.db2.gz XMDNXCQJJNLPTR-CYBMUJFWSA-N -1 3 387.417 3.430 20 5 GGBDHM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCN(CCCc2ccccc2)CC1 ZINC000184733969 1430958246 /nfs/dbraw/zinc/95/82/46/1430958246.db2.gz DAPZQHWQRRTQAO-UHFFFAOYSA-N -1 3 383.448 3.081 20 5 GGBDHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n1 ZINC000185857919 1431253450 /nfs/dbraw/zinc/25/34/50/1431253450.db2.gz KFWOPKRIGXQQQI-UHFFFAOYSA-N -1 3 392.462 3.201 20 5 GGBDHM Cc1ccc(Cc2cnc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)s2)cc1F ZINC000186902713 1431560284 /nfs/dbraw/zinc/56/02/84/1431560284.db2.gz ZJTUDPWHBSEZQH-UHFFFAOYSA-N -1 3 388.380 3.443 20 5 GGBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2scc(CC(C)C)c2C(=O)OC)n1 ZINC000191529254 1432678887 /nfs/dbraw/zinc/67/88/87/1432678887.db2.gz RWSNVHOATJWBBR-UHFFFAOYSA-N -1 3 380.426 3.110 20 5 GGBDHM O=C1CCCN1c1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000192719771 1432879470 /nfs/dbraw/zinc/87/94/70/1432879470.db2.gz SXCKYQQSADMSMN-UHFFFAOYSA-N -1 3 395.824 3.176 20 5 GGBDHM CC[C@H](c1nnc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1)c1ccccc1 ZINC000193560591 1433019948 /nfs/dbraw/zinc/01/99/48/1433019948.db2.gz BONHLKFWPPIDKD-LBPRGKRZSA-N -1 3 385.405 3.341 20 5 GGBDHM CN(Cc1cscn1)Cc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193575793 1433022198 /nfs/dbraw/zinc/02/21/98/1433022198.db2.gz WWSKPTXUIWVTGX-UHFFFAOYSA-N -1 3 399.432 3.036 20 5 GGBDHM O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193921882 1433085185 /nfs/dbraw/zinc/08/51/85/1433085185.db2.gz QWTQWFFENKYFTD-UHFFFAOYSA-N -1 3 393.281 3.152 20 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O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274936551 1435104548 /nfs/dbraw/zinc/10/45/48/1435104548.db2.gz DEDFEFQQZFCOKY-UHFFFAOYSA-N -1 3 399.407 3.356 20 5 GGBDHM CCOc1ccc([N+](=O)[O-])cc1CNCCCc1nc(C)c(C(=O)[O-])s1 ZINC000276929505 1435244149 /nfs/dbraw/zinc/24/41/49/1435244149.db2.gz BHTNKBHTZCVMBQ-UHFFFAOYSA-N -1 3 379.438 3.179 20 5 GGBDHM CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H]1c1ccc(Cl)cc1 ZINC000826029585 1443820549 /nfs/dbraw/zinc/82/05/49/1443820549.db2.gz UMILIOIGDGJIPR-IAGOWNOFSA-N -1 3 399.842 3.286 20 5 GGBDHM Cc1cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826270612 1447188421 /nfs/dbraw/zinc/18/84/21/1447188421.db2.gz HLAKSUXWEVXFQN-GFCCVEGCSA-N -1 3 375.392 3.227 20 5 GGBDHM Cc1cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000826270612 1447188422 /nfs/dbraw/zinc/18/84/22/1447188422.db2.gz HLAKSUXWEVXFQN-GFCCVEGCSA-N -1 3 375.392 3.227 20 5 GGBDHM C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351638 945425273 /nfs/dbraw/zinc/42/52/73/945425273.db2.gz QKUHIQRKALHEEK-LBPRGKRZSA-N -1 3 395.423 3.070 20 5 GGBDHM C[C@H](NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351638 945425282 /nfs/dbraw/zinc/42/52/82/945425282.db2.gz QKUHIQRKALHEEK-LBPRGKRZSA-N -1 3 395.423 3.070 20 5 GGBDHM CCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1[N+](=O)[O-] ZINC000821476595 945705327 /nfs/dbraw/zinc/70/53/27/945705327.db2.gz PXFHCMYNYXMWHF-UHFFFAOYSA-N -1 3 396.407 3.377 20 5 GGBDHM CCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1[N+](=O)[O-] ZINC000821476595 945705329 /nfs/dbraw/zinc/70/53/29/945705329.db2.gz PXFHCMYNYXMWHF-UHFFFAOYSA-N -1 3 396.407 3.377 20 5 GGBDHM Cc1nccn1-c1ccc([C@@H](C)Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000822477010 946099442 /nfs/dbraw/zinc/09/94/42/946099442.db2.gz CQEIEHKAIVKJQZ-GFCCVEGCSA-N -1 3 390.407 3.442 20 5 GGBDHM O=[N+]([O-])c1ccc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)c(F)c1 ZINC000823639967 946459848 /nfs/dbraw/zinc/45/98/48/946459848.db2.gz NSRKEHALERAYNF-UHFFFAOYSA-N -1 3 386.412 3.480 20 5 GGBDHM O=[N+]([O-])c1ccc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)c(F)c1 ZINC000823639967 946459855 /nfs/dbraw/zinc/45/98/55/946459855.db2.gz NSRKEHALERAYNF-UHFFFAOYSA-N -1 3 386.412 3.480 20 5 GGBDHM O=[N+]([O-])c1ccccc1CN(c1ccc2cc(-c3nnn[n-]3)ccc2n1)C1CC1 ZINC000826499966 948414830 /nfs/dbraw/zinc/41/48/30/948414830.db2.gz GNQYEKAREYSDDA-UHFFFAOYSA-N -1 3 387.403 3.492 20 5 GGBDHM O=[N+]([O-])c1ccccc1CN(c1ccc2cc(-c3nn[n-]n3)ccc2n1)C1CC1 ZINC000826499966 948414836 /nfs/dbraw/zinc/41/48/36/948414836.db2.gz GNQYEKAREYSDDA-UHFFFAOYSA-N -1 3 387.403 3.492 20 5 GGBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001528505719 948542700 /nfs/dbraw/zinc/54/27/00/948542700.db2.gz GRVHXAIFTLZSQJ-VIFPVBQESA-N -1 3 388.384 3.033 20 5 GGBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001528505719 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ZINC000509519970 566312525 /nfs/dbraw/zinc/31/25/25/566312525.db2.gz AXGVMJWUJVOBPI-UHFFFAOYSA-N -1 3 387.820 3.086 20 5 GGBDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000509570689 566316533 /nfs/dbraw/zinc/31/65/33/566316533.db2.gz IXUCFBBMXHKDJJ-UHFFFAOYSA-N -1 3 376.456 3.304 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)c(Cl)c1Cl ZINC000462531164 566319156 /nfs/dbraw/zinc/31/91/56/566319156.db2.gz UFUPZZJZEKOBMF-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])s1 ZINC000462540306 566320225 /nfs/dbraw/zinc/32/02/25/566320225.db2.gz RGZAGSAIFMBJSX-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H](C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000462573336 566324981 /nfs/dbraw/zinc/32/49/81/566324981.db2.gz LFMQHBQQVRVFIY-LBPRGKRZSA-N -1 3 384.841 3.302 20 5 GGBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Oc1ccc(Cl)cc1 ZINC000462583222 566327461 /nfs/dbraw/zinc/32/74/61/566327461.db2.gz WULCZRXMEZVVBC-SNVBAGLBSA-N -1 3 388.804 3.133 20 5 GGBDHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000462670310 566339021 /nfs/dbraw/zinc/33/90/21/566339021.db2.gz YEDBNEDPGVZART-HNNXBMFYSA-N -1 3 384.841 3.223 20 5 GGBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1ccccc1F ZINC000462702428 566343523 /nfs/dbraw/zinc/34/35/23/566343523.db2.gz QAIBYHQNXFPJCP-JTQLQIEISA-N -1 3 388.804 3.133 20 5 GGBDHM Cc1ccc(O[C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000462705336 566344327 /nfs/dbraw/zinc/34/43/27/566344327.db2.gz AAOFZUQWGBLIBN-LBPRGKRZSA-N -1 3 384.841 3.302 20 5 GGBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Oc1cccc(Cl)c1 ZINC000462706158 566344394 /nfs/dbraw/zinc/34/43/94/566344394.db2.gz BXBMSHMFRQQPCK-JTQLQIEISA-N -1 3 388.804 3.133 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)Oc1cccc(Cl)c1 ZINC000462705568 566345065 /nfs/dbraw/zinc/34/50/65/566345065.db2.gz OMYDXEMDLFRGRJ-LBPRGKRZSA-N -1 3 384.841 3.302 20 5 GGBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000462712179 566346477 /nfs/dbraw/zinc/34/64/77/566346477.db2.gz VEHBZMQHBZJVCE-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447021857 566379328 /nfs/dbraw/zinc/37/93/28/566379328.db2.gz AVGSKPSGYNWFOB-CABZTGNLSA-N -1 3 377.260 3.214 20 5 GGBDHM Cc1ccsc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447024702 566379439 /nfs/dbraw/zinc/37/94/39/566379439.db2.gz ADEJQPOYNRATMW-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447040242 566380929 /nfs/dbraw/zinc/38/09/29/566380929.db2.gz UBWLKOQUAXPYLF-VIFPVBQESA-N -1 3 397.316 3.167 20 5 GGBDHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447040240 566381836 /nfs/dbraw/zinc/38/18/36/566381836.db2.gz UBWLKOQUAXPYLF-SECBINFHSA-N -1 3 397.316 3.167 20 5 GGBDHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464190113 566453311 /nfs/dbraw/zinc/45/33/11/566453311.db2.gz ZHTXOFQMTIZNRV-VIFPVBQESA-N -1 3 377.344 3.152 20 5 GGBDHM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2I)c([O-])c1 ZINC000511474431 566467228 /nfs/dbraw/zinc/46/72/28/566467228.db2.gz LFLRRWORLFNFOM-UHFFFAOYSA-N -1 3 398.156 3.466 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc2sccc2c1 ZINC000558442398 566472617 /nfs/dbraw/zinc/47/26/17/566472617.db2.gz XCZYVDBYLUDHGX-UHFFFAOYSA-N -1 3 378.431 3.297 20 5 GGBDHM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000464644498 566495107 /nfs/dbraw/zinc/49/51/07/566495107.db2.gz SRCTUYQQPJSXQL-UHFFFAOYSA-N -1 3 396.588 3.306 20 5 GGBDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000485688384 566518621 /nfs/dbraw/zinc/51/86/21/566518621.db2.gz AFZADFGLXNKQQN-UHFFFAOYSA-N -1 3 384.841 3.470 20 5 GGBDHM Cc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ncc1Br ZINC000485733256 566522816 /nfs/dbraw/zinc/52/28/16/566522816.db2.gz RQXFDRRAYHBHQG-UHFFFAOYSA-N -1 3 376.170 3.189 20 5 GGBDHM COC(=O)c1cc([N-]C(=O)c2ccc(Br)o2)c(C)c([N+](=O)[O-])c1 ZINC000485975502 566545888 /nfs/dbraw/zinc/54/58/88/566545888.db2.gz GZAUJEIYSCQWCC-UHFFFAOYSA-N -1 3 383.154 3.298 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000604024635 566550725 /nfs/dbraw/zinc/55/07/25/566550725.db2.gz PICDTSCFEPSNLG-UHFFFAOYSA-N -1 3 378.303 3.231 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOC2CCCCC2)c(Cl)c1 ZINC000604022367 566550982 /nfs/dbraw/zinc/55/09/82/566550982.db2.gz PQENJJFUNAWDBU-UHFFFAOYSA-N -1 3 376.862 3.266 20 5 GGBDHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000604033401 566552081 /nfs/dbraw/zinc/55/20/81/566552081.db2.gz LPAVQTITNDKKEE-RISCZKNCSA-N -1 3 376.862 3.122 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1cccc(Cl)c1Cl ZINC000604037113 566552273 /nfs/dbraw/zinc/55/22/73/566552273.db2.gz OOXJXBFXCTWUTD-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000604033402 566552492 /nfs/dbraw/zinc/55/24/92/566552492.db2.gz LPAVQTITNDKKEE-SMDDNHRTSA-N -1 3 376.862 3.122 20 5 GGBDHM C[C@@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000604034102 566552533 /nfs/dbraw/zinc/55/25/33/566552533.db2.gz FUVKWNZLBGDVIK-NSHDSACASA-N -1 3 399.266 3.267 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2c(F)cccc2F)c(Cl)c1 ZINC000604037761 566552911 /nfs/dbraw/zinc/55/29/11/566552911.db2.gz JQUGKCYWNRVWAQ-UHFFFAOYSA-N -1 3 376.768 3.047 20 5 GGBDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)c2csc([N+](=O)[O-])c2)[nH][n-]1 ZINC000512843109 566563204 /nfs/dbraw/zinc/56/32/04/566563204.db2.gz BKDDZRIKOIHIQA-UHFFFAOYSA-N -1 3 378.797 3.383 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2Cl)c(Cl)c1 ZINC000604474067 566567777 /nfs/dbraw/zinc/56/77/77/566567777.db2.gz WBFKQSJCHNNITH-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM COc1ccc(C[C@H](C)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467051652 566621282 /nfs/dbraw/zinc/62/12/82/566621282.db2.gz QSZKPTHHKVPGEB-NSHDSACASA-N -1 3 384.479 3.130 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2ncoc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000467051433 566621568 /nfs/dbraw/zinc/62/15/68/566621568.db2.gz OSXJAZHWNLXDJQ-UHFFFAOYSA-N -1 3 379.419 3.098 20 5 GGBDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467049670 566621685 /nfs/dbraw/zinc/62/16/85/566621685.db2.gz VKTLPBYIKHBMFC-PSLIRLAXSA-N -1 3 388.442 3.158 20 5 GGBDHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467064284 566622655 /nfs/dbraw/zinc/62/26/55/566622655.db2.gz UWZWEELVUHLMCO-BJOHPYRUSA-N -1 3 388.442 3.158 20 5 GGBDHM CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(Cl)cc1 ZINC000467069428 566623077 /nfs/dbraw/zinc/62/30/77/566623077.db2.gz QVWYIWSLNLIQDN-ZDUSSCGKSA-N -1 3 390.870 3.284 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2cc(C)ccc2OC(F)F)cc1[N+](=O)[O-] ZINC000467072287 566623596 /nfs/dbraw/zinc/62/35/96/566623596.db2.gz AVUBKCNORAVZRV-UHFFFAOYSA-N -1 3 392.405 3.353 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000467256506 566636646 /nfs/dbraw/zinc/63/66/46/566636646.db2.gz UOBGXTJXWQDEHE-UHFFFAOYSA-N -1 3 380.369 3.462 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000467262106 566636921 /nfs/dbraw/zinc/63/69/21/566636921.db2.gz WBNHGNRNTQQFLJ-UHFFFAOYSA-N -1 3 378.378 3.045 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000467399784 566643209 /nfs/dbraw/zinc/64/32/09/566643209.db2.gz QNLXWMDWQVBBDS-GDBMZVCRSA-N -1 3 382.463 3.163 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCCO[C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000467397034 566643469 /nfs/dbraw/zinc/64/34/69/566643469.db2.gz PTYGZTCYVFQDFN-GFCCVEGCSA-N -1 3 384.479 3.411 20 5 GGBDHM CCSc1nnc([N-]C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s1 ZINC000514168700 566644725 /nfs/dbraw/zinc/64/47/25/566644725.db2.gz AGTUPNZRUYFWQF-UHFFFAOYSA-N -1 3 376.366 3.412 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1SCCc2ccccc21 ZINC000487081948 566646231 /nfs/dbraw/zinc/64/62/31/566646231.db2.gz FEIOPJKKAQUNCG-MRXNPFEDSA-N -1 3 378.475 3.212 20 5 GGBDHM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(Cl)cc1 ZINC000487376562 566668626 /nfs/dbraw/zinc/66/86/26/566668626.db2.gz NFYWUONSDJANHR-OAHLLOKOSA-N -1 3 384.841 3.223 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000487385808 566668694 /nfs/dbraw/zinc/66/86/94/566668694.db2.gz AIOKXSILXXNVGY-HNNXBMFYSA-N -1 3 384.841 3.223 20 5 GGBDHM COC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(Cl)c1 ZINC000580250430 566677635 /nfs/dbraw/zinc/67/76/35/566677635.db2.gz BZLUZGNGOQIURH-CQSZACIVSA-N -1 3 384.841 3.223 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000541312857 566714962 /nfs/dbraw/zinc/71/49/62/566714962.db2.gz NUAYKYFSYLVBCG-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(F)ccc1Br ZINC000426780873 566728451 /nfs/dbraw/zinc/72/84/51/566728451.db2.gz VXSNNYHAQCKFNE-HNNXBMFYSA-N 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566782587 /nfs/dbraw/zinc/78/25/87/566782587.db2.gz GQAJLXYZNWPLJY-UHFFFAOYSA-N -1 3 381.182 3.002 20 5 GGBDHM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000469389460 566787466 /nfs/dbraw/zinc/78/74/66/566787466.db2.gz WFBVXZQQKPFYJN-VIFPVBQESA-N -1 3 377.260 3.214 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2Cl)c(F)c1 ZINC000610134995 566810784 /nfs/dbraw/zinc/81/07/84/566810784.db2.gz IJPWWFUCYPQQJG-RNCFNFMXSA-N -1 3 388.779 3.361 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000489979735 566820707 /nfs/dbraw/zinc/82/07/07/566820707.db2.gz IDXBISKQDXVSFU-NSHDSACASA-N -1 3 378.397 3.097 20 5 GGBDHM COc1cc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000489991383 566821916 /nfs/dbraw/zinc/82/19/16/566821916.db2.gz HPSRTFWKOJKPLV-NSHDSACASA-N -1 3 378.397 3.097 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc2c1CCCN2 ZINC000490037531 566825775 /nfs/dbraw/zinc/82/57/75/566825775.db2.gz HYGKUZRUHORCAW-UHFFFAOYSA-N -1 3 381.841 3.085 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1Cl ZINC000582073318 566827923 /nfs/dbraw/zinc/82/79/23/566827923.db2.gz AJLPJJYLSACDQV-GXTWGEPZSA-N -1 3 382.825 3.091 20 5 GGBDHM Cc1ccoc1C[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000490333217 566844418 /nfs/dbraw/zinc/84/44/18/566844418.db2.gz UJRCRAXUONKDOZ-UHFFFAOYSA-N -1 3 389.227 3.046 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)c(Cl)c1 ZINC000610711741 566855693 /nfs/dbraw/zinc/85/56/93/566855693.db2.gz ATMLFXRSRDGTMZ-LBPRGKRZSA-N -1 3 389.216 3.314 20 5 GGBDHM CCCc1nc(C)c(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1 ZINC000490555022 566864452 /nfs/dbraw/zinc/86/44/52/566864452.db2.gz KCZUSOHAYZWHTQ-UHFFFAOYSA-N -1 3 387.845 3.284 20 5 GGBDHM CSCC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000451710413 566867499 /nfs/dbraw/zinc/86/74/99/566867499.db2.gz QBAOWGHKCWMTQP-UHFFFAOYSA-N -1 3 378.903 3.448 20 5 GGBDHM 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566984584 /nfs/dbraw/zinc/98/45/84/566984584.db2.gz JGECWPADQJGBQJ-UHFFFAOYSA-N -1 3 381.479 3.197 20 5 GGBDHM O=[N+]([O-])c1cc(Br)cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000584267153 567027497 /nfs/dbraw/zinc/02/74/97/567027497.db2.gz YCSHCTYAUUWKJK-UHFFFAOYSA-N -1 3 387.153 3.346 20 5 GGBDHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(Br)o2)cc1[N+](=O)[O-] ZINC000545358151 567043336 /nfs/dbraw/zinc/04/33/36/567043336.db2.gz VMSSLXMJYXTIDW-SECBINFHSA-N -1 3 389.227 3.298 20 5 GGBDHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)o2)cc1[N+](=O)[O-] ZINC000545358152 567043518 /nfs/dbraw/zinc/04/35/18/567043518.db2.gz VMSSLXMJYXTIDW-VIFPVBQESA-N -1 3 389.227 3.298 20 5 GGBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000521883090 567084912 /nfs/dbraw/zinc/08/49/12/567084912.db2.gz AKPZLVFYCXCRDJ-UHFFFAOYSA-N -1 3 391.232 3.259 20 5 GGBDHM O=[N+]([O-])c1ccsc1NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000588068221 567111419 /nfs/dbraw/zinc/11/14/19/567111419.db2.gz QBJGBYUWOHCTAQ-UHFFFAOYSA-N -1 3 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ZINC000570882279 567520567 /nfs/dbraw/zinc/52/05/67/567520567.db2.gz BWSBPBQYZWWGMV-UHFFFAOYSA-N -1 3 387.117 3.128 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1Cl ZINC000594867478 567522446 /nfs/dbraw/zinc/52/24/46/567522446.db2.gz DCIDEKFTLXODSY-WCQYABFASA-N -1 3 382.825 3.091 20 5 GGBDHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000479383306 567530569 /nfs/dbraw/zinc/53/05/69/567530569.db2.gz YUSOASDOYCBEHG-IINYFYTJSA-N -1 3 376.862 3.120 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOc3ccccc32)c(Cl)c1 ZINC000504515439 567538385 /nfs/dbraw/zinc/53/83/85/567538385.db2.gz LPQUOPSTMMUKAW-AWEZNQCLSA-N -1 3 382.825 3.440 20 5 GGBDHM CCSC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000595351563 567558007 /nfs/dbraw/zinc/55/80/07/567558007.db2.gz XAOWAHFAMPFPOW-UHFFFAOYSA-N -1 3 384.401 3.178 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000479924115 567568962 /nfs/dbraw/zinc/56/89/62/567568962.db2.gz 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O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Br)c1 ZINC000442245689 567688085 /nfs/dbraw/zinc/68/80/85/567688085.db2.gz WIVAYDCZQXERMA-UHFFFAOYSA-N -1 3 393.165 3.436 20 5 GGBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000442324873 567690995 /nfs/dbraw/zinc/69/09/95/567690995.db2.gz AJLQEMSFXYMIGH-UHFFFAOYSA-N -1 3 375.175 3.297 20 5 GGBDHM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000442348977 567691024 /nfs/dbraw/zinc/69/10/24/567691024.db2.gz KIKAJCJEBTZQTM-UHFFFAOYSA-N -1 3 387.211 3.167 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](c1cccs1)C(C)(C)CO ZINC000573168871 567694051 /nfs/dbraw/zinc/69/40/51/567694051.db2.gz JNOTVLRVKYRGTN-HNNXBMFYSA-N -1 3 384.479 3.003 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000442729900 567703060 /nfs/dbraw/zinc/70/30/60/567703060.db2.gz CLYOXNNBPJVHJH-MRVPVSSYSA-N -1 3 391.268 3.458 20 5 GGBDHM CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000507892925 567713321 /nfs/dbraw/zinc/71/33/21/567713321.db2.gz WPQPTTVDSDQZRX-VIFPVBQESA-N -1 3 377.260 3.214 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CCCc1cccc(Cl)c1 ZINC000554266771 567718004 /nfs/dbraw/zinc/71/80/04/567718004.db2.gz ZZURGRXJXSRQOK-UHFFFAOYSA-N -1 3 384.841 3.168 20 5 GGBDHM Cc1sc([N-]C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nc1C(C)C ZINC000597894209 567722570 /nfs/dbraw/zinc/72/25/70/567722570.db2.gz KKMFBVPYCSDWPK-UHFFFAOYSA-N -1 3 383.451 3.139 20 5 GGBDHM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2cc(Br)ccc21 ZINC000598232940 567749927 /nfs/dbraw/zinc/74/99/27/567749927.db2.gz IMPUTJFUFHEOHZ-UHFFFAOYSA-N -1 3 392.209 3.396 20 5 GGBDHM C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000461859732 567750850 /nfs/dbraw/zinc/75/08/50/567750850.db2.gz UKCQCEZDWRMLIU-VHSXEESVSA-N -1 3 377.260 3.072 20 5 GGBDHM C[C@H]1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000554910941 567755577 /nfs/dbraw/zinc/75/55/77/567755577.db2.gz OWKLPFFMYNLIGV-QWRGUYRKSA-N -1 3 376.862 3.120 20 5 GGBDHM O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462088322 567770148 /nfs/dbraw/zinc/77/01/48/567770148.db2.gz HFENUAUNPCIHST-UHFFFAOYSA-N -1 3 395.384 3.066 20 5 GGBDHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444062279 567787600 /nfs/dbraw/zinc/78/76/00/567787600.db2.gz KAIZLRXLIGLPMO-UHFFFAOYSA-N -1 3 378.303 3.231 20 5 GGBDHM COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1[O-] ZINC000012556319 570859682 /nfs/dbraw/zinc/85/96/82/570859682.db2.gz PIGPWDQEVKSTND-BLVKFPJESA-N -1 3 399.403 3.055 20 5 GGBDHM Cc1nn(C)c(Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)c1[N+](=O)[O-] ZINC000737512024 598938649 /nfs/dbraw/zinc/93/86/49/598938649.db2.gz QJYLXWFZXRHUSF-UHFFFAOYSA-N -1 3 392.379 3.353 20 5 GGBDHM Cc1nn(C)c(Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c1[N+](=O)[O-] ZINC000737512024 598938651 /nfs/dbraw/zinc/93/86/51/598938651.db2.gz QJYLXWFZXRHUSF-UHFFFAOYSA-N -1 3 392.379 3.353 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N3CCC4(C3)CCCCC4)cc(-c3nnn[n-]3)c2c1 ZINC000823643829 599051260 /nfs/dbraw/zinc/05/12/60/599051260.db2.gz CJOAYOHWWIBYIR-UHFFFAOYSA-N -1 3 379.424 3.484 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N3CCC4(C3)CCCCC4)cc(-c3nn[n-]n3)c2c1 ZINC000823643829 599051262 /nfs/dbraw/zinc/05/12/62/599051262.db2.gz CJOAYOHWWIBYIR-UHFFFAOYSA-N -1 3 379.424 3.484 20 5 GGBDHM C[C@H](CCc1cccn1C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820253293 599054284 /nfs/dbraw/zinc/05/42/84/599054284.db2.gz HSTZATWWDYMUQA-GFCCVEGCSA-N -1 3 392.423 3.095 20 5 GGBDHM C[C@H](CCc1cccn1C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820253293 599054288 /nfs/dbraw/zinc/05/42/88/599054288.db2.gz HSTZATWWDYMUQA-GFCCVEGCSA-N -1 3 392.423 3.095 20 5 GGBDHM Cc1ccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)cc1 ZINC000822242598 599065172 /nfs/dbraw/zinc/06/51/72/599065172.db2.gz QSJRYJNVZOPCEO-AWEZNQCLSA-N -1 3 379.424 3.164 20 5 GGBDHM Cc1ccc(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)cc1 ZINC000822242598 599065174 /nfs/dbraw/zinc/06/51/74/599065174.db2.gz QSJRYJNVZOPCEO-AWEZNQCLSA-N -1 3 379.424 3.164 20 5 GGBDHM COc1ccc(OCCSc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000737111391 599169119 /nfs/dbraw/zinc/16/91/19/599169119.db2.gz LXYFRCUHVZLHPD-UHFFFAOYSA-N -1 3 391.384 3.094 20 5 GGBDHM COc1ccc(OCCSc2ccc(-c3nn[n-]n3)cc2F)c([N+](=O)[O-])c1 ZINC000737111391 599169122 /nfs/dbraw/zinc/16/91/22/599169122.db2.gz LXYFRCUHVZLHPD-UHFFFAOYSA-N -1 3 391.384 3.094 20 5 GGBDHM Cc1c(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822096991 607281095 /nfs/dbraw/zinc/28/10/95/607281095.db2.gz RWESAHZIIJQSKB-UHFFFAOYSA-N -1 3 395.423 3.228 20 5 GGBDHM Cc1c(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822096991 607281096 /nfs/dbraw/zinc/28/10/96/607281096.db2.gz RWESAHZIIJQSKB-UHFFFAOYSA-N -1 3 395.423 3.228 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCOc4ccccc43)cc(-c3nnn[n-]3)c2c1 ZINC000738367561 599260041 /nfs/dbraw/zinc/26/00/41/599260041.db2.gz VQUBOKBUMNFKGA-MRXNPFEDSA-N -1 3 389.375 3.259 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCOc4ccccc43)cc(-c3nn[n-]n3)c2c1 ZINC000738367561 599260043 /nfs/dbraw/zinc/26/00/43/599260043.db2.gz VQUBOKBUMNFKGA-MRXNPFEDSA-N -1 3 389.375 3.259 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccccc3F)cc(-c3nnn[n-]3)c2c1 ZINC000738366096 599260300 /nfs/dbraw/zinc/26/03/00/599260300.db2.gz CCVUWVPOLGUWOZ-UHFFFAOYSA-N -1 3 379.355 3.117 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(NCCc3ccccc3F)cc(-c3nn[n-]n3)c2c1 ZINC000738366096 599260302 /nfs/dbraw/zinc/26/03/02/599260302.db2.gz CCVUWVPOLGUWOZ-UHFFFAOYSA-N -1 3 379.355 3.117 20 5 GGBDHM O=[N+]([O-])c1cc(NCCc2ccc(Br)s2)ccc1-c1nnn[n-]1 ZINC000826498312 607840960 /nfs/dbraw/zinc/84/09/60/607840960.db2.gz PGDTVQOSYFCTAI-UHFFFAOYSA-N -1 3 395.242 3.254 20 5 GGBDHM O=C1CCc2cc([N+](=O)[O-])c(Oc3ccc(-c4nnn[n-]4)cc3Cl)cc2N1 ZINC000738302727 598236983 /nfs/dbraw/zinc/23/69/83/598236983.db2.gz NCZJXXFKXRNSML-UHFFFAOYSA-N -1 3 386.755 3.105 20 5 GGBDHM O=C1CCc2cc([N+](=O)[O-])c(Oc3ccc(-c4nn[n-]n4)cc3Cl)cc2N1 ZINC000738302727 598236984 /nfs/dbraw/zinc/23/69/84/598236984.db2.gz NCZJXXFKXRNSML-UHFFFAOYSA-N -1 3 386.755 3.105 20 5 GGBDHM CC(C)CCOc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735820153 598246450 /nfs/dbraw/zinc/24/64/50/598246450.db2.gz PDQGUXWKRUVCJI-UHFFFAOYSA-N -1 3 383.412 3.207 20 5 GGBDHM CC(C)CCOc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000735820153 598246451 /nfs/dbraw/zinc/24/64/51/598246451.db2.gz PDQGUXWKRUVCJI-UHFFFAOYSA-N -1 3 383.412 3.207 20 5 GGBDHM CC1CCC(OC2CCN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)CC1 ZINC000736244529 598501984 /nfs/dbraw/zinc/50/19/84/598501984.db2.gz JQMPMIQSRVIINY-UHFFFAOYSA-N -1 3 386.456 3.339 20 5 GGBDHM CC1CCC(OC2CCN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)CC2)CC1 ZINC000736244529 598501985 /nfs/dbraw/zinc/50/19/85/598501985.db2.gz JQMPMIQSRVIINY-UHFFFAOYSA-N -1 3 386.456 3.339 20 5 GGBDHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000737094880 599521128 /nfs/dbraw/zinc/52/11/28/599521128.db2.gz BWKWCTBDTIWZGU-UHFFFAOYSA-N -1 3 394.313 3.414 20 5 GGBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820557006 599526711 /nfs/dbraw/zinc/52/67/11/599526711.db2.gz XELHJCUJPHJCOF-NWDGAFQWSA-N -1 3 398.448 3.133 20 5 GGBDHM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820557006 599526714 /nfs/dbraw/zinc/52/67/14/599526714.db2.gz XELHJCUJPHJCOF-NWDGAFQWSA-N -1 3 398.448 3.133 20 5 GGBDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000822176344 599632937 /nfs/dbraw/zinc/63/29/37/599632937.db2.gz KBDNGEKJCQNCRN-UHFFFAOYSA-N -1 3 392.297 3.354 20 5 GGBDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000822176344 599632938 /nfs/dbraw/zinc/63/29/38/599632938.db2.gz KBDNGEKJCQNCRN-UHFFFAOYSA-N -1 3 392.297 3.354 20 5 GGBDHM O=[N+]([O-])c1cnc(NCc2cc(Cl)ccc2OC(F)F)c(-c2nnn[n-]2)c1 ZINC000823651812 599689596 /nfs/dbraw/zinc/68/95/96/599689596.db2.gz RJQAPFJWNUQQKP-UHFFFAOYSA-N -1 3 397.729 3.037 20 5 GGBDHM O=[N+]([O-])c1cnc(NCc2cc(Cl)ccc2OC(F)F)c(-c2nn[n-]n2)c1 ZINC000823651812 599689597 /nfs/dbraw/zinc/68/95/97/599689597.db2.gz RJQAPFJWNUQQKP-UHFFFAOYSA-N -1 3 397.729 3.037 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822270883 607401640 /nfs/dbraw/zinc/40/16/40/607401640.db2.gz BINAYGBCSORDCX-UHFFFAOYSA-N -1 3 382.380 3.123 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822270883 607401641 /nfs/dbraw/zinc/40/16/41/607401641.db2.gz BINAYGBCSORDCX-UHFFFAOYSA-N -1 3 382.380 3.123 20 5 GGBDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000826252813 607404204 /nfs/dbraw/zinc/40/42/04/607404204.db2.gz SLOJQWBZEZENQT-UHFFFAOYSA-N -1 3 381.392 3.104 20 5 GGBDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000826252813 607404205 /nfs/dbraw/zinc/40/42/05/607404205.db2.gz SLOJQWBZEZENQT-UHFFFAOYSA-N -1 3 381.392 3.104 20 5 GGBDHM CN(C)[C@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000737358054 600075156 /nfs/dbraw/zinc/07/51/56/600075156.db2.gz HLMNBRCKNQXDOO-OAHLLOKOSA-N -1 3 392.343 3.055 20 5 GGBDHM C[C@@](NCc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736663884 600078454 /nfs/dbraw/zinc/07/84/54/600078454.db2.gz GXWRHBFIQYFMCY-INIZCTEOSA-N -1 3 379.210 3.447 20 5 GGBDHM C[C@](NCc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736663885 600078615 /nfs/dbraw/zinc/07/86/15/600078615.db2.gz GXWRHBFIQYFMCY-MRXNPFEDSA-N -1 3 379.210 3.447 20 5 GGBDHM C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736815099 600692307 /nfs/dbraw/zinc/69/23/07/600692307.db2.gz NSINMEVQOKYNDF-HNNXBMFYSA-N -1 3 397.431 3.030 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000823629970 607467991 /nfs/dbraw/zinc/46/79/91/607467991.db2.gz OLRXCJQSQKDWJG-MAUKXSAKSA-N -1 3 398.398 3.007 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000823629970 607467992 /nfs/dbraw/zinc/46/79/92/607467992.db2.gz OLRXCJQSQKDWJG-MAUKXSAKSA-N -1 3 398.398 3.007 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000823629969 607468253 /nfs/dbraw/zinc/46/82/53/607468253.db2.gz OLRXCJQSQKDWJG-CRAIPNDOSA-N -1 3 398.398 3.007 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000823629969 607468255 /nfs/dbraw/zinc/46/82/55/607468255.db2.gz OLRXCJQSQKDWJG-CRAIPNDOSA-N -1 3 398.398 3.007 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000823640185 607468879 /nfs/dbraw/zinc/46/88/79/607468879.db2.gz WUSJQRYDHCWZMB-KBXCAEBGSA-N -1 3 398.398 3.007 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000823640185 607468880 /nfs/dbraw/zinc/46/88/80/607468880.db2.gz WUSJQRYDHCWZMB-KBXCAEBGSA-N -1 3 398.398 3.007 20 5 GGBDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000826055033 601201679 /nfs/dbraw/zinc/20/16/79/601201679.db2.gz UTMYSOAKOKAAHV-GTNSWQLSSA-N -1 3 391.811 3.238 20 5 GGBDHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc1F ZINC000826282246 607522676 /nfs/dbraw/zinc/52/26/76/607522676.db2.gz FRCBUYSWSVGCQR-UHFFFAOYSA-N -1 3 376.735 3.128 20 5 GGBDHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc1F ZINC000826282246 607522677 /nfs/dbraw/zinc/52/26/77/607522677.db2.gz FRCBUYSWSVGCQR-UHFFFAOYSA-N -1 3 376.735 3.128 20 5 GGBDHM O=C(CSc1ccccc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826420781 607523444 /nfs/dbraw/zinc/52/34/44/607523444.db2.gz BTUVEVJWQGBQPG-UHFFFAOYSA-N -1 3 390.812 3.159 20 5 GGBDHM O=C(CSc1ccccc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826420781 607523446 /nfs/dbraw/zinc/52/34/46/607523446.db2.gz BTUVEVJWQGBQPG-UHFFFAOYSA-N -1 3 390.812 3.159 20 5 GGBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)cc1 ZINC000826450715 607523593 /nfs/dbraw/zinc/52/35/93/607523593.db2.gz AAFTUSHYBHADGQ-UHFFFAOYSA-N -1 3 379.163 3.334 20 5 GGBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)cc1 ZINC000826450715 607523594 /nfs/dbraw/zinc/52/35/94/607523594.db2.gz AAFTUSHYBHADGQ-UHFFFAOYSA-N -1 3 379.163 3.334 20 5 GGBDHM O=C(Cc1cccc(Cl)c1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826423215 607525125 /nfs/dbraw/zinc/52/51/25/607525125.db2.gz DGLWYSCFKPXSHQ-UHFFFAOYSA-N -1 3 393.190 3.263 20 5 GGBDHM O=C(Cc1cccc(Cl)c1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826423215 607525127 /nfs/dbraw/zinc/52/51/27/607525127.db2.gz DGLWYSCFKPXSHQ-UHFFFAOYSA-N -1 3 393.190 3.263 20 5 GGBDHM CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830794930 601901261 /nfs/dbraw/zinc/90/12/61/601901261.db2.gz BQJWTJPDQBJYCB-MRXNPFEDSA-N -1 3 384.310 3.149 20 5 GGBDHM CN(CCOc1ccccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830795494 601906384 /nfs/dbraw/zinc/90/63/84/601906384.db2.gz VAXIXKURHMZZIM-INIZCTEOSA-N -1 3 384.310 3.149 20 5 GGBDHM COc1ccc(CSCCOc2ccccc2[N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826208026 607534194 /nfs/dbraw/zinc/53/41/94/607534194.db2.gz PNNYTZIANDSMES-UHFFFAOYSA-N -1 3 387.421 3.096 20 5 GGBDHM COc1ccc(CSCCOc2ccccc2[N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000826208026 607534196 /nfs/dbraw/zinc/53/41/96/607534196.db2.gz PNNYTZIANDSMES-UHFFFAOYSA-N -1 3 387.421 3.096 20 5 GGBDHM O=[N+]([O-])c1ccccc1CN(c1cc(-c2nnn[n-]2)c2ccccc2n1)C1CC1 ZINC000826499858 607562276 /nfs/dbraw/zinc/56/22/76/607562276.db2.gz AZJZHEBJGCPAOW-UHFFFAOYSA-N -1 3 387.403 3.492 20 5 GGBDHM O=[N+]([O-])c1ccccc1CN(c1cc(-c2nn[n-]n2)c2ccccc2n1)C1CC1 ZINC000826499858 607562278 /nfs/dbraw/zinc/56/22/78/607562278.db2.gz AZJZHEBJGCPAOW-UHFFFAOYSA-N -1 3 387.403 3.492 20 5 GGBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826468262 607572019 /nfs/dbraw/zinc/57/20/19/607572019.db2.gz JEQJAWYGUUCDFB-UHFFFAOYSA-N -1 3 379.254 3.013 20 5 GGBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826468262 607572020 /nfs/dbraw/zinc/57/20/20/607572020.db2.gz JEQJAWYGUUCDFB-UHFFFAOYSA-N -1 3 379.254 3.013 20 5 GGBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826464695 607616172 /nfs/dbraw/zinc/61/61/72/607616172.db2.gz INNAUXWVKULYTA-UHFFFAOYSA-N -1 3 393.281 3.151 20 5 GGBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826464695 607616174 /nfs/dbraw/zinc/61/61/74/607616174.db2.gz INNAUXWVKULYTA-UHFFFAOYSA-N -1 3 393.281 3.151 20 5 GGBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000825319081 607661351 /nfs/dbraw/zinc/66/13/51/607661351.db2.gz XCHRUODKSPIWPB-UHFFFAOYSA-N -1 3 394.435 3.065 20 5 GGBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000825319081 607661353 /nfs/dbraw/zinc/66/13/53/607661353.db2.gz XCHRUODKSPIWPB-UHFFFAOYSA-N -1 3 394.435 3.065 20 5 GGBDHM CC(C)OCCN1CCC(Nc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000827027849 604269836 /nfs/dbraw/zinc/26/98/36/604269836.db2.gz ZPZATAQOXKAMGP-UHFFFAOYSA-N -1 3 385.848 3.248 20 5 GGBDHM O=C([O-])[C@@H](O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000833770312 604759963 /nfs/dbraw/zinc/75/99/63/604759963.db2.gz CTDQXEVJJCVBOS-KRWDZBQOSA-N -1 3 394.811 3.166 20 5 GGBDHM Cc1cc([N+](=O)[O-])ccc1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822212938 606137718 /nfs/dbraw/zinc/13/77/18/606137718.db2.gz NMFOULBLQQHSPO-UHFFFAOYSA-N -1 3 380.408 3.131 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(NCCc3cc(F)ccc3F)cc(-c3nnn[n-]3)c2c1 ZINC000823643794 606142794 /nfs/dbraw/zinc/14/27/94/606142794.db2.gz BBKAQZDOSSTMNK-UHFFFAOYSA-N -1 3 397.345 3.256 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(NCCc3cc(F)ccc3F)cc(-c3nn[n-]n3)c2c1 ZINC000823643794 606142796 /nfs/dbraw/zinc/14/27/96/606142796.db2.gz BBKAQZDOSSTMNK-UHFFFAOYSA-N -1 3 397.345 3.256 20 5 GGBDHM COC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(C)o1 ZINC000821683486 606222857 /nfs/dbraw/zinc/22/28/57/606222857.db2.gz BRKKORDFNLPRPF-HNNXBMFYSA-N -1 3 395.379 3.024 20 5 GGBDHM COC[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccc(C)o1 ZINC000821683486 606222859 /nfs/dbraw/zinc/22/28/59/606222859.db2.gz BRKKORDFNLPRPF-HNNXBMFYSA-N -1 3 395.379 3.024 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1c(F)cccc1OC(F)F ZINC000823629583 606420734 /nfs/dbraw/zinc/42/07/34/606420734.db2.gz AQMGFHAIURUUOX-UHFFFAOYSA-N -1 3 380.286 3.128 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1c(F)cccc1OC(F)F ZINC000823629583 606420736 /nfs/dbraw/zinc/42/07/36/606420736.db2.gz AQMGFHAIURUUOX-UHFFFAOYSA-N -1 3 380.286 3.128 20 5 GGBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000820460759 606431722 /nfs/dbraw/zinc/43/17/22/606431722.db2.gz BNVKQMSIRPRPCJ-QMMMGPOBSA-N -1 3 390.201 3.106 20 5 GGBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000820460759 606431724 /nfs/dbraw/zinc/43/17/24/606431724.db2.gz BNVKQMSIRPRPCJ-QMMMGPOBSA-N -1 3 390.201 3.106 20 5 GGBDHM Cc1ccc(CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C2CC2)o1 ZINC000822237270 606457591 /nfs/dbraw/zinc/45/75/91/606457591.db2.gz NDOKWRWJVKOAEY-UHFFFAOYSA-N -1 3 391.391 3.394 20 5 GGBDHM Cc1ccc(CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C2CC2)o1 ZINC000822237270 606457593 /nfs/dbraw/zinc/45/75/93/606457593.db2.gz NDOKWRWJVKOAEY-UHFFFAOYSA-N -1 3 391.391 3.394 20 5 GGBDHM Cc1c(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cccc1[N+](=O)[O-] ZINC000822123290 606597158 /nfs/dbraw/zinc/59/71/58/606597158.db2.gz YPFPCLFTYXAUFG-UHFFFAOYSA-N -1 3 376.323 3.297 20 5 GGBDHM Cc1c(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cccc1[N+](=O)[O-] ZINC000822123290 606597159 /nfs/dbraw/zinc/59/71/59/606597159.db2.gz YPFPCLFTYXAUFG-UHFFFAOYSA-N -1 3 376.323 3.297 20 5 GGBDHM CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820921346 606601795 /nfs/dbraw/zinc/60/17/95/606601795.db2.gz YKTGHFHPPBGCOJ-SJCJKPOMSA-N -1 3 395.423 3.286 20 5 GGBDHM CC[C@H](NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820921346 606601796 /nfs/dbraw/zinc/60/17/96/606601796.db2.gz YKTGHFHPPBGCOJ-SJCJKPOMSA-N -1 3 395.423 3.286 20 5 GGBDHM O=[N+]([O-])c1cnc(Nc2ccc(CCC(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000823652170 606610244 /nfs/dbraw/zinc/61/02/44/606610244.db2.gz WGGIVZBOAXWMBY-UHFFFAOYSA-N -1 3 379.302 3.408 20 5 GGBDHM O=[N+]([O-])c1cnc(Nc2ccc(CCC(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000823652170 606610246 /nfs/dbraw/zinc/61/02/46/606610246.db2.gz WGGIVZBOAXWMBY-UHFFFAOYSA-N -1 3 379.302 3.408 20 5 GGBDHM C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820461540 606786600 /nfs/dbraw/zinc/78/66/00/606786600.db2.gz LTLHXKAWTLSILR-QMMMGPOBSA-N -1 3 390.201 3.106 20 5 GGBDHM C[C@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820461540 606786602 /nfs/dbraw/zinc/78/66/02/606786602.db2.gz LTLHXKAWTLSILR-QMMMGPOBSA-N -1 3 390.201 3.106 20 5 GGBDHM CCc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821477121 606958774 /nfs/dbraw/zinc/95/87/74/606958774.db2.gz ZCVWVIFURAFHMP-UHFFFAOYSA-N -1 3 386.799 3.267 20 5 GGBDHM CCc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821477121 606958775 /nfs/dbraw/zinc/95/87/75/606958775.db2.gz ZCVWVIFURAFHMP-UHFFFAOYSA-N -1 3 386.799 3.267 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000823630305 607048257 /nfs/dbraw/zinc/04/82/57/607048257.db2.gz WMQCXFPGNMSUMU-PBHICJAKSA-N -1 3 398.423 3.241 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000823630305 607048259 /nfs/dbraw/zinc/04/82/59/607048259.db2.gz WMQCXFPGNMSUMU-PBHICJAKSA-N -1 3 398.423 3.241 20 5 GGBDHM C[C@H](c1ccccc1)n1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000820570029 607118758 /nfs/dbraw/zinc/11/87/58/607118758.db2.gz BTYJKHURIHTNAV-GFCCVEGCSA-N -1 3 376.380 3.324 20 5 GGBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1c(Cl)cccc1[N+](=O)[O-] ZINC000823318631 607242784 /nfs/dbraw/zinc/24/27/84/607242784.db2.gz GCAOWLSKJPHDPP-UHFFFAOYSA-N -1 3 379.163 3.334 20 5 GGBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1c(Cl)cccc1[N+](=O)[O-] ZINC000823318631 607242785 /nfs/dbraw/zinc/24/27/85/607242785.db2.gz GCAOWLSKJPHDPP-UHFFFAOYSA-N -1 3 379.163 3.334 20 5 GGBDHM O=C(CCSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1nnn[n-]1 ZINC000826408090 607817012 /nfs/dbraw/zinc/81/70/12/607817012.db2.gz PFDRTCJUALZEDO-UHFFFAOYSA-N -1 3 384.421 3.037 20 5 GGBDHM O=C(CCSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1nn[n-]n1 ZINC000826408090 607817013 /nfs/dbraw/zinc/81/70/13/607817013.db2.gz PFDRTCJUALZEDO-UHFFFAOYSA-N -1 3 384.421 3.037 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000826497819 607849861 /nfs/dbraw/zinc/84/98/61/607849861.db2.gz VWUWPTLYRDLQSR-MRXNPFEDSA-N -1 3 398.398 3.100 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000826497819 607849862 /nfs/dbraw/zinc/84/98/62/607849862.db2.gz VWUWPTLYRDLQSR-MRXNPFEDSA-N -1 3 398.398 3.100 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1CSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826211993 607984830 /nfs/dbraw/zinc/98/48/30/607984830.db2.gz CPQMFHXSVSXARU-UHFFFAOYSA-N -1 3 387.421 3.226 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1CSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826211993 607984831 /nfs/dbraw/zinc/98/48/31/607984831.db2.gz CPQMFHXSVSXARU-UHFFFAOYSA-N -1 3 387.421 3.226 20 5 GGBDHM O=[N+]([O-])c1ccc(-c2nc(COc3ccc(-c4nnn[n-]4)cc3F)co2)cc1 ZINC000826498335 608024059 /nfs/dbraw/zinc/02/40/59/608024059.db2.gz QBUZUZKTEWAFPZ-UHFFFAOYSA-N -1 3 382.311 3.148 20 5 GGBDHM O=[N+]([O-])c1ccc(-c2nc(COc3ccc(-c4nn[n-]n4)cc3F)co2)cc1 ZINC000826498335 608024060 /nfs/dbraw/zinc/02/40/60/608024060.db2.gz QBUZUZKTEWAFPZ-UHFFFAOYSA-N -1 3 382.311 3.148 20 5 GGBDHM CN(Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1Br ZINC000825986128 608047970 /nfs/dbraw/zinc/04/79/70/608047970.db2.gz PMULVJOVSMWFHN-UHFFFAOYSA-N -1 3 389.213 3.174 20 5 GGBDHM Cc1ccc([C@@H](C)C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)o1 ZINC000826282873 608160703 /nfs/dbraw/zinc/16/07/03/608160703.db2.gz DUENUHONBMHZSS-MRVPVSSYSA-N -1 3 376.760 3.072 20 5 GGBDHM Cc1ccc([C@@H](C)C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)o1 ZINC000826282873 608160706 /nfs/dbraw/zinc/16/07/06/608160706.db2.gz DUENUHONBMHZSS-MRVPVSSYSA-N -1 3 376.760 3.072 20 5 GGBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1cccc2c1CCC2 ZINC000826451256 608162129 /nfs/dbraw/zinc/16/21/29/608162129.db2.gz XTODLGWDCGHXNT-UHFFFAOYSA-N -1 3 384.783 3.169 20 5 GGBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1cccc2c1CCC2 ZINC000826451256 608162131 /nfs/dbraw/zinc/16/21/31/608162131.db2.gz XTODLGWDCGHXNT-UHFFFAOYSA-N -1 3 384.783 3.169 20 5 GGBDHM Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)c(F)c1 ZINC000826282597 608163465 /nfs/dbraw/zinc/16/34/65/608163465.db2.gz WMIGHFWWDJQWTQ-UHFFFAOYSA-N -1 3 376.735 3.128 20 5 GGBDHM Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)c(F)c1 ZINC000826282597 608163467 /nfs/dbraw/zinc/16/34/67/608163467.db2.gz WMIGHFWWDJQWTQ-UHFFFAOYSA-N -1 3 376.735 3.128 20 5 GGBDHM CCOc1cc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000825616084 608180439 /nfs/dbraw/zinc/18/04/39/608180439.db2.gz VZQSHXVJRXWNRB-UHFFFAOYSA-N -1 3 380.408 3.343 20 5 GGBDHM CCOc1cc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)ccc1[N+](=O)[O-] ZINC000825616084 608180441 /nfs/dbraw/zinc/18/04/41/608180441.db2.gz VZQSHXVJRXWNRB-UHFFFAOYSA-N -1 3 380.408 3.343 20 5 GGBDHM CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826230962 608184433 /nfs/dbraw/zinc/18/44/33/608184433.db2.gz QQXVSTCCFAPNPF-JTQLQIEISA-N -1 3 385.405 3.415 20 5 GGBDHM CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826230962 608184434 /nfs/dbraw/zinc/18/44/34/608184434.db2.gz QQXVSTCCFAPNPF-JTQLQIEISA-N -1 3 385.405 3.415 20 5 GGBDHM CCCN1C(=O)CCc2cc(Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)ccc21 ZINC000825326886 608297594 /nfs/dbraw/zinc/29/75/94/608297594.db2.gz HKSPICQUTLPXDF-UHFFFAOYSA-N -1 3 393.407 3.208 20 5 GGBDHM CCCN1C(=O)CCc2cc(Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)ccc21 ZINC000825326886 608297596 /nfs/dbraw/zinc/29/75/96/608297596.db2.gz HKSPICQUTLPXDF-UHFFFAOYSA-N -1 3 393.407 3.208 20 5 GGBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)c(F)c1 ZINC000826451190 608312021 /nfs/dbraw/zinc/31/20/21/608312021.db2.gz VCYMLDUQCXBREY-UHFFFAOYSA-N -1 3 397.153 3.473 20 5 GGBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ccc(Cl)c(F)c1 ZINC000826451190 608312023 /nfs/dbraw/zinc/31/20/23/608312023.db2.gz VCYMLDUQCXBREY-UHFFFAOYSA-N -1 3 397.153 3.473 20 5 GGBDHM CC(=O)c1ccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000824025075 608441319 /nfs/dbraw/zinc/44/13/19/608441319.db2.gz UPDONFGRBVKIMH-UHFFFAOYSA-N -1 3 390.403 3.271 20 5 GGBDHM CC(=O)c1ccc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000824025075 608441322 /nfs/dbraw/zinc/44/13/22/608441322.db2.gz UPDONFGRBVKIMH-UHFFFAOYSA-N -1 3 390.403 3.271 20 5 GGBDHM COc1cc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000826180663 608441807 /nfs/dbraw/zinc/44/18/07/608441807.db2.gz RMXCFMCPTRRQQW-UHFFFAOYSA-N -1 3 378.392 3.077 20 5 GGBDHM COc1cc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1[N+](=O)[O-] ZINC000826180663 608441809 /nfs/dbraw/zinc/44/18/09/608441809.db2.gz RMXCFMCPTRRQQW-UHFFFAOYSA-N -1 3 378.392 3.077 20 5 GGBDHM O=[N+]([O-])c1ccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000826498417 608464547 /nfs/dbraw/zinc/46/45/47/608464547.db2.gz TYLWUKSQQJFRBE-UHFFFAOYSA-N -1 3 380.383 3.203 20 5 GGBDHM C[C@H](NCc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000824611560 608563597 /nfs/dbraw/zinc/56/35/97/608563597.db2.gz BBFADKXTLITONA-JTQLQIEISA-N -1 3 390.350 3.227 20 5 GGBDHM C[C@H](NCc1ccc(-c2nn[n-]n2)cc1OC(F)F)c1ccccc1[N+](=O)[O-] ZINC000824611560 608563599 /nfs/dbraw/zinc/56/35/99/608563599.db2.gz BBFADKXTLITONA-JTQLQIEISA-N -1 3 390.350 3.227 20 5 GGBDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824612304 609153609 /nfs/dbraw/zinc/15/36/09/609153609.db2.gz MQBBUXHIPJZYSJ-SECBINFHSA-N -1 3 376.779 3.418 20 5 GGBDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824612304 609153610 /nfs/dbraw/zinc/15/36/10/609153610.db2.gz MQBBUXHIPJZYSJ-SECBINFHSA-N -1 3 376.779 3.418 20 5 GGBDHM O=[N+]([O-])c1cccc(OCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826499257 609306708 /nfs/dbraw/zinc/30/67/08/609306708.db2.gz BJBUJTWTFSCECG-UHFFFAOYSA-N -1 3 376.170 3.116 20 5 GGBDHM O=[N+]([O-])c1cccc(OCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826499257 609306709 /nfs/dbraw/zinc/30/67/09/609306709.db2.gz BJBUJTWTFSCECG-UHFFFAOYSA-N -1 3 376.170 3.116 20 5 GGBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826498980 609306908 /nfs/dbraw/zinc/30/69/08/609306908.db2.gz QVQZQYQQARVAAB-UHFFFAOYSA-N -1 3 376.170 3.116 20 5 GGBDHM O=[N+]([O-])c1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826498980 609306911 /nfs/dbraw/zinc/30/69/11/609306911.db2.gz QVQZQYQQARVAAB-UHFFFAOYSA-N -1 3 376.170 3.116 20 5 GGBDHM O=C(CCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])OCc1ccccc1 ZINC000826406374 609391282 /nfs/dbraw/zinc/39/12/82/609391282.db2.gz UBHRHHZJKPXGAN-UHFFFAOYSA-N -1 3 396.407 3.101 20 5 GGBDHM O=C(CCCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])OCc1ccccc1 ZINC000826406374 609391284 /nfs/dbraw/zinc/39/12/84/609391284.db2.gz UBHRHHZJKPXGAN-UHFFFAOYSA-N -1 3 396.407 3.101 20 5 GGBDHM O=C(C[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000826405092 609430342 /nfs/dbraw/zinc/43/03/42/609430342.db2.gz VSFIASWTDYDBRP-HNNXBMFYSA-N -1 3 378.392 3.017 20 5 GGBDHM O=C(C[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000826405092 609430344 /nfs/dbraw/zinc/43/03/44/609430344.db2.gz VSFIASWTDYDBRP-HNNXBMFYSA-N -1 3 378.392 3.017 20 5 GGBDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000825322836 609437161 /nfs/dbraw/zinc/43/71/61/609437161.db2.gz JWGPKKCDTSTBNJ-UHFFFAOYSA-N -1 3 390.407 3.135 20 5 GGBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000825322836 609437164 /nfs/dbraw/zinc/43/71/64/609437164.db2.gz JWGPKKCDTSTBNJ-UHFFFAOYSA-N -1 3 390.407 3.135 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826293346 609463086 /nfs/dbraw/zinc/46/30/86/609463086.db2.gz LSOBFPWLUSOCNM-FROQITRMSA-N -1 3 379.376 3.401 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826293346 609463089 /nfs/dbraw/zinc/46/30/89/609463089.db2.gz LSOBFPWLUSOCNM-FROQITRMSA-N -1 3 379.376 3.401 20 5 GGBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000506330368 609520532 /nfs/dbraw/zinc/52/05/32/609520532.db2.gz DHIUJQGNVMFMQF-UHFFFAOYSA-N -1 3 398.448 3.207 20 5 GGBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000506330368 609520533 /nfs/dbraw/zinc/52/05/33/609520533.db2.gz DHIUJQGNVMFMQF-UHFFFAOYSA-N -1 3 398.448 3.207 20 5 GGBDHM COCC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000826155533 609571236 /nfs/dbraw/zinc/57/12/36/609571236.db2.gz TWPJBXUIEBQKSV-HNNXBMFYSA-N -1 3 395.379 3.106 20 5 GGBDHM COCC[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000826155533 609571238 /nfs/dbraw/zinc/57/12/38/609571238.db2.gz TWPJBXUIEBQKSV-HNNXBMFYSA-N -1 3 395.379 3.106 20 5 GGBDHM COC(=O)c1cc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)cc([N+](=O)[O-])c1 ZINC000006334454 1398543183 /nfs/dbraw/zinc/54/31/83/1398543183.db2.gz VMFGJPLUSNNZLR-UHFFFAOYSA-N -1 3 398.400 3.076 20 5 GGBDHM CSc1ccc(C(=O)[N-]n2cnc3sc(C)c(C)c3c2=O)cc1[N+](=O)[O-] ZINC000015581366 1399174315 /nfs/dbraw/zinc/17/43/15/1399174315.db2.gz PVTFNSKMTOHTHB-UHFFFAOYSA-N -1 3 390.446 3.089 20 5 GGBDHM Cc1nn(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c(C)c1[N+](=O)[O-] ZINC000022986346 1399521879 /nfs/dbraw/zinc/52/18/79/1399521879.db2.gz VKKOXWVQQNHNKP-UHFFFAOYSA-N -1 3 381.417 3.421 20 5 GGBDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000023403261 1399557541 /nfs/dbraw/zinc/55/75/41/1399557541.db2.gz PIPRZAKHNFQJCB-SFHVURJKSA-N -1 3 394.449 3.288 20 5 GGBDHM CCOc1cc(C(=O)[N-]c2cc(C(=O)OC)ccc2F)c([N+](=O)[O-])cc1OC ZINC000026500857 1399895883 /nfs/dbraw/zinc/89/58/83/1399895883.db2.gz BATOGNCKOIEJAZ-UHFFFAOYSA-N -1 3 392.339 3.180 20 5 GGBDHM CC(=O)Nc1cccc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000028040007 1400121486 /nfs/dbraw/zinc/12/14/86/1400121486.db2.gz LXWLQMIAZWWPLV-JTQLQIEISA-N -1 3 397.840 3.246 20 5 GGBDHM CCOC(=O)c1cc(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)cc([N+](=O)[O-])c1 ZINC000028789415 1400197146 /nfs/dbraw/zinc/19/71/46/1400197146.db2.gz JFBFPWPVILIVMB-UHFFFAOYSA-N -1 3 395.375 3.117 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccccn2)c(F)c1 ZINC000055972686 1407154141 /nfs/dbraw/zinc/15/41/41/1407154141.db2.gz UBJZBWBBUSOZTB-SFHVURJKSA-N -1 3 387.392 3.197 20 5 GGBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000056108616 1407208273 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NQLIXDWLKOJDDV-UHFFFAOYSA-N -1 3 392.350 3.424 20 5 GGBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCC(C)(C)O)c([N+](=O)[O-])c2)c(C)c1 ZINC000097543691 1410374009 /nfs/dbraw/zinc/37/40/09/1410374009.db2.gz IVACTNIHRBNOCL-UHFFFAOYSA-N -1 3 393.465 3.195 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)c(Cl)c1 ZINC000102660318 1410691903 /nfs/dbraw/zinc/69/19/03/1410691903.db2.gz AMBFFMPWUAHIDD-UHFFFAOYSA-N -1 3 393.808 3.382 20 5 GGBDHM CC(C)c1ncc(Cl)c(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)n1 ZINC000103201436 1410837004 /nfs/dbraw/zinc/83/70/04/1410837004.db2.gz SGDGIOTWGWGQPX-UHFFFAOYSA-N -1 3 387.787 3.199 20 5 GGBDHM O=C([N-]c1nc(Cc2ccccc2)ns1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000107356546 1411364925 /nfs/dbraw/zinc/36/49/25/1411364925.db2.gz OGBKIHRXDJTRLL-UHFFFAOYSA-N -1 3 380.389 3.166 20 5 GGBDHM CN(Cc1cscn1)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000111655726 1412008288 /nfs/dbraw/zinc/00/82/88/1412008288.db2.gz JBMHYPMKXBMUMG-UHFFFAOYSA-N -1 3 399.432 3.036 20 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CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000247818047 1433752595 /nfs/dbraw/zinc/75/25/95/1433752595.db2.gz FHAKLSKDLWRNJK-UHFFFAOYSA-N -1 3 398.345 3.220 20 5 GGBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCc1ccc([O-])c(Br)c1 ZINC000255692123 1433888017 /nfs/dbraw/zinc/88/80/17/1433888017.db2.gz YZGCQKGJZQJFAU-YWEYNIOJSA-N -1 3 377.194 3.393 20 5 GGBDHM CCCCCc1nnc([N-]C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)s1 ZINC000266044794 1434299275 /nfs/dbraw/zinc/29/92/75/1434299275.db2.gz ZSYNPSJXAWZZOS-UHFFFAOYSA-N -1 3 380.426 3.449 20 5 GGBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3n[nH]c(C(C)C)c3[N+](=O)[O-])c2)n1 ZINC000269422640 1434643131 /nfs/dbraw/zinc/64/31/31/1434643131.db2.gz XQXYFFMZUUDUQE-UHFFFAOYSA-N -1 3 396.407 3.419 20 5 GGBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1csc([C@H]2CCCO2)n1 ZINC000270114524 1434704534 /nfs/dbraw/zinc/70/45/34/1434704534.db2.gz GRCBOPUYPZPYBO-CYBMUJFWSA-N -1 3 391.405 3.316 20 5 GGBDHM CCOC(=O)c1sc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])nc1C(C)C ZINC000270993710 1434794078 /nfs/dbraw/zinc/79/40/78/1434794078.db2.gz FBKJMHRXNHZEFT-UHFFFAOYSA-N -1 3 395.441 3.450 20 5 GGBDHM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000271655721 1434842291 /nfs/dbraw/zinc/84/22/91/1434842291.db2.gz ISISEMPIEQTDCX-GWCFXTLKSA-N -1 3 396.387 3.096 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000273392532 1434985693 /nfs/dbraw/zinc/98/56/93/1434985693.db2.gz DUDWUWCJRJRQQI-CJNGLKHVSA-N -1 3 398.387 3.072 20 5 GGBDHM COC(=O)c1cc([N-]C(=O)c2csc([C@H]3CCCO3)n2)c(C)c([N+](=O)[O-])c1 ZINC000276723991 1435228027 /nfs/dbraw/zinc/22/80/27/1435228027.db2.gz BUVNTJWNCUUWTM-CQSZACIVSA-N -1 3 391.405 3.250 20 5 GGBDHM COC(=O)c1cc([N-]C(=O)c2oc3c(c2C)C(=O)CCC3)c(C)c([N+](=O)[O-])c1 ZINC000277071851 1435259046 /nfs/dbraw/zinc/25/90/46/1435259046.db2.gz NNLNFMMYBPTMJV-UHFFFAOYSA-N -1 3 386.360 3.363 20 5 GGBDHM CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@@H]1c1ccc(Cl)cc1 ZINC000826029589 1450427330 /nfs/dbraw/zinc/42/73/30/1450427330.db2.gz UMILIOIGDGJIPR-SJORKVTESA-N -1 3 399.842 3.286 20 5 GGBDHM O=[N+]([O-])c1cccc(-c2nc(C=Cc3ccc(-c4nnn[n-]4)cn3)cs2)c1 ZINC000738368052 945263727 /nfs/dbraw/zinc/26/37/27/945263727.db2.gz ZKXMNFXKKMRYDD-SREVYHEPSA-N -1 3 377.389 3.464 20 5 GGBDHM O=[N+]([O-])c1cccc(-c2nc(C=Cc3ccc(-c4nn[n-]n4)cn3)cs2)c1 ZINC000738368052 945263731 /nfs/dbraw/zinc/26/37/31/945263731.db2.gz ZKXMNFXKKMRYDD-SREVYHEPSA-N -1 3 377.389 3.464 20 5 GGBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2nnn[n-]2)cc1 ZINC000544226086 944636179 /nfs/dbraw/zinc/63/61/79/944636179.db2.gz JMJUNGRQTLWPLK-UHFFFAOYSA-N -1 3 390.812 3.159 20 5 GGBDHM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1 ZINC000544226086 944636186 /nfs/dbraw/zinc/63/61/86/944636186.db2.gz JMJUNGRQTLWPLK-UHFFFAOYSA-N -1 3 390.812 3.159 20 5 GGBDHM C[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824648006 946884786 /nfs/dbraw/zinc/88/47/86/946884786.db2.gz CTZXRCTWEPIULE-GFCCVEGCSA-N -1 3 390.407 3.349 20 5 GGBDHM C[C@@H](Nc1c([N+](=O)[O-])ncn1C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824648006 946884795 /nfs/dbraw/zinc/88/47/95/946884795.db2.gz CTZXRCTWEPIULE-GFCCVEGCSA-N -1 3 390.407 3.349 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826293746 947852706 /nfs/dbraw/zinc/85/27/06/947852706.db2.gz ZVASQXNOTAVQMY-LIRRHRJNSA-N -1 3 394.435 3.218 20 5 GGBDHM Cc1sc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826349257 948090785 /nfs/dbraw/zinc/09/07/85/948090785.db2.gz BBRZJKBEICAXDI-UHFFFAOYSA-N -1 3 390.450 3.184 20 5 GGBDHM Cc1sc(NC(=O)CSc2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826349257 948090794 /nfs/dbraw/zinc/09/07/94/948090794.db2.gz BBRZJKBEICAXDI-UHFFFAOYSA-N -1 3 390.450 3.184 20 5 GGBDHM O=[N+]([O-])c1ccc([C@@H](O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826498453 948413333 /nfs/dbraw/zinc/41/33/33/948413333.db2.gz VKZKZHVXGWUVQM-ZDUSSCGKSA-N -1 3 377.813 3.254 20 5 GGBDHM O=[N+]([O-])c1ccc([C@@H](O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826498453 948413336 /nfs/dbraw/zinc/41/33/36/948413336.db2.gz VKZKZHVXGWUVQM-ZDUSSCGKSA-N -1 3 377.813 3.254 20 5 GGBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001575503225 949042438 /nfs/dbraw/zinc/04/24/38/949042438.db2.gz KLBFKWRGKHYNPR-GFCCVEGCSA-N -1 3 398.448 3.087 20 5 GGBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001575503225 949042457 /nfs/dbraw/zinc/04/24/57/949042457.db2.gz KLBFKWRGKHYNPR-GFCCVEGCSA-N -1 3 398.448 3.087 20 5 GGBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001575503228 949044249 /nfs/dbraw/zinc/04/42/49/949044249.db2.gz KLBFKWRGKHYNPR-LBPRGKRZSA-N -1 3 398.448 3.087 20 5 GGBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CSc1ccccc1[N+](=O)[O-] ZINC001575503228 949044272 /nfs/dbraw/zinc/04/42/72/949044272.db2.gz KLBFKWRGKHYNPR-LBPRGKRZSA-N -1 3 398.448 3.087 20 5 GGBDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001575514745 949177584 /nfs/dbraw/zinc/17/75/84/949177584.db2.gz YNWOZQRNHNXYIP-JTQLQIEISA-N -1 3 386.799 3.262 20 5 GGBDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001575514745 949177599 /nfs/dbraw/zinc/17/75/99/949177599.db2.gz YNWOZQRNHNXYIP-JTQLQIEISA-N -1 3 386.799 3.262 20 5 GGBDHM CC(C)(C)Oc1ccccc1CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001573876804 950682315 /nfs/dbraw/zinc/68/23/15/950682315.db2.gz WIOJFAXKLLISGW-UHFFFAOYSA-N -1 3 383.412 3.147 20 5 GGBDHM CC(C)(C)Oc1ccccc1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001573876804 950682327 /nfs/dbraw/zinc/68/23/27/950682327.db2.gz WIOJFAXKLLISGW-UHFFFAOYSA-N -1 3 383.412 3.147 20 5 GGBDHM CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC001573882336 950776483 /nfs/dbraw/zinc/77/64/83/950776483.db2.gz ZMJRCBFIRCRSPZ-UHFFFAOYSA-N -1 3 386.437 3.064 20 5 GGBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001573887977 950857421 /nfs/dbraw/zinc/85/74/21/950857421.db2.gz MDGPJNFQJADOLF-CABCVRRESA-N -1 3 395.423 3.074 20 5 GGBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001573887977 950857444 /nfs/dbraw/zinc/85/74/44/950857444.db2.gz MDGPJNFQJADOLF-CABCVRRESA-N -1 3 395.423 3.074 20 5 GGBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001573887980 950860741 /nfs/dbraw/zinc/86/07/41/950860741.db2.gz MDGPJNFQJADOLF-LSDHHAIUSA-N -1 3 395.423 3.074 20 5 GGBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001573887980 950860762 /nfs/dbraw/zinc/86/07/62/950860762.db2.gz MDGPJNFQJADOLF-LSDHHAIUSA-N -1 3 395.423 3.074 20 5 GGBDHM O=C([O-])CCN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCOCC1 ZINC001595056071 951500329 /nfs/dbraw/zinc/50/03/29/951500329.db2.gz VQRBPRKNZYETOS-UHFFFAOYSA-N -1 3 377.224 3.357 20 5 GGBDHM C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC001575133636 952105951 /nfs/dbraw/zinc/10/59/51/952105951.db2.gz FQIGNCZLALBZKK-VIFPVBQESA-N -1 3 396.436 3.182 20 5 GGBDHM C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC001575133636 952105956 /nfs/dbraw/zinc/10/59/56/952105956.db2.gz FQIGNCZLALBZKK-VIFPVBQESA-N -1 3 396.436 3.182 20 5 GGBDHM COc1cc(CN[C@H]2C[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000567179327 953631209 /nfs/dbraw/zinc/63/12/09/953631209.db2.gz DEZNHOFQWJWMDS-KOMQPUFPSA-N -1 3 386.404 3.135 20 5 GGBDHM CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001593755330 954447413 /nfs/dbraw/zinc/44/74/13/954447413.db2.gz HKIBCLYEQJVCTL-MRXNPFEDSA-N -1 3 387.436 3.163 20 5 GGBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@]2(C)C(=O)[O-])cc1OC ZINC001589458861 954856093 /nfs/dbraw/zinc/85/60/93/954856093.db2.gz NUTWVBVXZKAWOX-ORAYPTAESA-N -1 3 380.441 3.467 20 5 GGBDHM O=C([O-])[C@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])ccc1Br ZINC001574781773 957783086 /nfs/dbraw/zinc/78/30/86/957783086.db2.gz QSZDAGWKQGIBOB-HNNXBMFYSA-N -1 3 379.210 3.143 20 5 GGBDHM Cc1ccc(CN2CCCN(c3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])CC2)cc1 ZINC001329580151 961279003 /nfs/dbraw/zinc/27/90/03/961279003.db2.gz WEUUSFQGSMSTQN-UHFFFAOYSA-N -1 3 384.436 3.017 20 5 GGBDHM C[C@@H](c1ccncc1)N1CCC(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000515302527 974297552 /nfs/dbraw/zinc/29/75/52/974297552.db2.gz XCMAYVYHZHGFJB-AWEZNQCLSA-N -1 3 384.436 3.254 20 5 GGBDHM CN1CCC[C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000517378798 974317003 /nfs/dbraw/zinc/31/70/03/974317003.db2.gz VMJCPKRSYBFJHD-NHYWBVRUSA-N -1 3 376.438 3.245 20 5 GGBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCC(C)(C)N2CCc3ccccc3C2)n1 ZINC000844207979 979357662 /nfs/dbraw/zinc/35/76/62/979357662.db2.gz KWZGCSLJQUHANG-UHFFFAOYSA-N -1 3 384.436 3.245 20 5 GGBDHM C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001589002309 984947318 /nfs/dbraw/zinc/94/73/18/984947318.db2.gz PGAUHVFKNXIJBK-XWGMLZDCSA-N -1 3 395.415 3.239 20 5 GGBDHM CCO[C@H]1C[C@](NCc2cc([N+](=O)[O-])ccc2OC(C)C)(C(=O)[O-])C1(C)C ZINC001596836946 985488960 /nfs/dbraw/zinc/48/89/60/985488960.db2.gz GSUPAWTXFZEVPB-LPHOPBHVSA-N -1 3 380.441 3.130 20 5 GGBDHM CC(C)(C)CC(C)(C)N1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC001589742733 988020131 /nfs/dbraw/zinc/02/01/31/988020131.db2.gz XTDZIJFCSRZDKH-UHFFFAOYSA-N -1 3 391.468 3.266 20 5 GGBDHM COc1cccc([C@@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])N2CCCC2)c1 ZINC001599657180 994600778 /nfs/dbraw/zinc/60/07/78/994600778.db2.gz IORYRKVGCCBCCJ-HXUWFJFHSA-N -1 3 399.447 3.480 20 5 GGBDHM C[C@@](NCc1ccc(Br)cc1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593291707 994670868 /nfs/dbraw/zinc/67/08/68/994670868.db2.gz BOBJKNWOBSLMOK-INIZCTEOSA-N -1 3 379.210 3.447 20 5 GGBDHM C[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1-n1cccn1 ZINC001593298051 994709792 /nfs/dbraw/zinc/70/97/92/994709792.db2.gz CXTYCDQSZNYBTF-CQSZACIVSA-N -1 3 396.403 3.095 20 5 GGBDHM C[C@@]1(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCN1Cc1ccccc1 ZINC001594026588 997559527 /nfs/dbraw/zinc/55/95/27/997559527.db2.gz BFXPMWLKZOKSNB-NRFANRHFSA-N -1 3 397.431 3.078 20 5 GGBDHM C[C@]1(CNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCCN1Cc1ccccc1 ZINC001594026589 997559725 /nfs/dbraw/zinc/55/97/25/997559725.db2.gz BFXPMWLKZOKSNB-OAQYLSRUSA-N -1 3 397.431 3.078 20 5 GGBDHM CC(=O)c1ccc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c([N+](=O)[O-])c1 ZINC000012564772 221209234 /nfs/dbraw/zinc/20/92/34/221209234.db2.gz HVPVZFJLEGZMGO-UHFFFAOYSA-N -1 3 383.404 3.358 20 5 GGBDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000116378466 564209504 /nfs/dbraw/zinc/20/95/04/564209504.db2.gz UDBPUHCGCUIPOI-UHFFFAOYSA-N -1 3 375.859 3.227 20 5 GGBDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000014303854 564281587 /nfs/dbraw/zinc/28/15/87/564281587.db2.gz KFSXHRGPAAQBQQ-UHFFFAOYSA-N -1 3 395.384 3.195 20 5 GGBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000016086715 564291133 /nfs/dbraw/zinc/29/11/33/564291133.db2.gz MYDUPBSFXLLVPZ-JTQLQIEISA-N -1 3 385.239 3.397 20 5 GGBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cccs2)c(C(F)(F)F)c1 ZINC000120026125 564300783 /nfs/dbraw/zinc/30/07/83/564300783.db2.gz WTTLGTBIYUPXOY-UHFFFAOYSA-N -1 3 395.384 3.066 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000025376479 564338967 /nfs/dbraw/zinc/33/89/67/564338967.db2.gz ZZDKAOWJVRKMMF-NXEZZACHSA-N -1 3 382.360 3.003 20 5 GGBDHM CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1F ZINC000026290265 564345547 /nfs/dbraw/zinc/34/55/47/564345547.db2.gz OIMRRWJLDHAJJL-UHFFFAOYSA-N -1 3 387.776 3.011 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000029939727 564375630 /nfs/dbraw/zinc/37/56/30/564375630.db2.gz MHTFEDXFRUNDRY-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOc1ccc(Cl)cc1 ZINC000029940444 564375954 /nfs/dbraw/zinc/37/59/54/564375954.db2.gz AJWJCUCWSQSFDE-UHFFFAOYSA-N -1 3 391.232 3.259 20 5 GGBDHM CCOCc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000030518889 564381958 /nfs/dbraw/zinc/38/19/58/564381958.db2.gz DVALULJCSSJSAP-UHFFFAOYSA-N -1 3 384.841 3.263 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000032412645 564398303 /nfs/dbraw/zinc/39/83/03/564398303.db2.gz LOGHBTQJGOOBMS-VHSXEESVSA-N -1 3 382.360 3.003 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000032412643 564398493 /nfs/dbraw/zinc/39/84/93/564398493.db2.gz LOGHBTQJGOOBMS-ZJUUUORDSA-N -1 3 382.360 3.003 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCC(C(F)(F)F)CC1 ZINC000032412936 564398550 /nfs/dbraw/zinc/39/85/50/564398550.db2.gz MLJDHBMLECPCJL-UHFFFAOYSA-N -1 3 382.360 3.003 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000032412641 564398749 /nfs/dbraw/zinc/39/87/49/564398749.db2.gz LOGHBTQJGOOBMS-NXEZZACHSA-N -1 3 382.360 3.003 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000032444921 564400793 /nfs/dbraw/zinc/40/07/93/564400793.db2.gz RLXVLWWXICSKIT-ZDUSSCGKSA-N -1 3 380.447 3.119 20 5 GGBDHM CCOCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000122516825 564417513 /nfs/dbraw/zinc/41/75/13/564417513.db2.gz IOZWXQJAABJVQC-UHFFFAOYSA-N -1 3 376.862 3.123 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)cc1[N+](=O)[O-] ZINC000122934899 564432452 /nfs/dbraw/zinc/43/24/52/564432452.db2.gz OLDAPDITMFOAQH-UHFFFAOYSA-N -1 3 385.448 3.160 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000123760179 564460173 /nfs/dbraw/zinc/46/01/73/564460173.db2.gz PUAJCBISERZDEZ-UHFFFAOYSA-N -1 3 389.524 3.240 20 5 GGBDHM Cc1c(Br)cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000124848803 564495564 /nfs/dbraw/zinc/49/55/64/564495564.db2.gz URVRUGVLKWLMTA-UHFFFAOYSA-N -1 3 394.107 3.055 20 5 GGBDHM Cc1c(Br)cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC000124848803 564495566 /nfs/dbraw/zinc/49/55/66/564495566.db2.gz URVRUGVLKWLMTA-UHFFFAOYSA-N -1 3 394.107 3.055 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)c(Cl)c1 ZINC000047543265 564522265 /nfs/dbraw/zinc/52/22/65/564522265.db2.gz CCMDDVANWGPRIN-UHFFFAOYSA-N -1 3 392.767 3.328 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCc2csc(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000125808647 564528074 /nfs/dbraw/zinc/52/80/74/564528074.db2.gz GLPOPMXZZZFNGP-UHFFFAOYSA-N -1 3 389.524 3.240 20 5 GGBDHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCO1 ZINC000126411245 564548706 /nfs/dbraw/zinc/54/87/06/564548706.db2.gz HGJINZLSTVTHNT-JSGCOSHPSA-N -1 3 376.500 3.227 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000127161046 564575264 /nfs/dbraw/zinc/57/52/64/564575264.db2.gz AIXOGKACOVJVIC-DZGCQCFKSA-N -1 3 382.463 3.163 20 5 GGBDHM O=C([N-]c1nncs1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000128676584 564625849 /nfs/dbraw/zinc/62/58/49/564625849.db2.gz VNRIFVVPRCTTFD-UHFFFAOYSA-N -1 3 385.192 3.191 20 5 GGBDHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000055676670 564629323 /nfs/dbraw/zinc/62/93/23/564629323.db2.gz LNGADNZHBORWGP-UHFFFAOYSA-N -1 3 383.813 3.316 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2csc(Br)c2)c(F)c1 ZINC000056055944 564638266 /nfs/dbraw/zinc/63/82/66/564638266.db2.gz YDVDPACWUCMLEW-UHFFFAOYSA-N -1 3 395.231 3.036 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1csc(Br)c1 ZINC000056055949 564638349 /nfs/dbraw/zinc/63/83/49/564638349.db2.gz BKQXBWCKFPQIQQ-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCOc2c(Cl)cccc21 ZINC000057010740 564657310 /nfs/dbraw/zinc/65/73/10/564657310.db2.gz CLISFVSZMGRYMJ-ZDUSSCGKSA-N -1 3 382.825 3.359 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1sccc1Br ZINC000058510717 564685635 /nfs/dbraw/zinc/68/56/35/564685635.db2.gz PCTFNXIFQOALQT-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000060509616 564698984 /nfs/dbraw/zinc/69/89/84/564698984.db2.gz BRUSOKSXWDNHSH-JTQLQIEISA-N -1 3 388.804 3.133 20 5 GGBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000064953440 564737818 /nfs/dbraw/zinc/73/78/18/564737818.db2.gz IMSCIWKIBNQRNJ-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM COc1ccc(CC(=O)Nc2ccc(Br)cc2[O-])cc1[N+](=O)[O-] ZINC000067906727 564802766 /nfs/dbraw/zinc/80/27/66/564802766.db2.gz GCBZERYZVVNFAH-UHFFFAOYSA-N -1 3 381.182 3.253 20 5 GGBDHM COc1cc(CNCCOc2ncc(Cl)cc2Cl)c([N+](=O)[O-])cc1[O-] ZINC000134476949 564804508 /nfs/dbraw/zinc/80/45/08/564804508.db2.gz UZVDSWYKACQDNK-UHFFFAOYSA-N -1 3 388.207 3.179 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCCC2)C1 ZINC000134663372 564812026 /nfs/dbraw/zinc/81/20/26/564812026.db2.gz AYRMQNSUPGRLBE-CYBMUJFWSA-N -1 3 388.873 3.408 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOc3ccc(F)cc32)c(Cl)c1 ZINC000068937849 564829375 /nfs/dbraw/zinc/82/93/75/564829375.db2.gz HBBWEMDWTUTKFQ-CYBMUJFWSA-N -1 3 386.788 3.189 20 5 GGBDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)sc1Br ZINC000150120434 564886806 /nfs/dbraw/zinc/88/68/06/564886806.db2.gz SEWWUBWRDHHYSF-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cc(Br)cs2)c([N+](=O)[O-])c1 ZINC000101572651 564918500 /nfs/dbraw/zinc/91/85/00/564918500.db2.gz ZFZFHKREQPTNEI-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM COc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1[N+](=O)[O-] ZINC000151582600 564927998 /nfs/dbraw/zinc/92/79/98/564927998.db2.gz LFPUCCXZDQSYNM-UHFFFAOYSA-N -1 3 381.182 3.002 20 5 GGBDHM COc1cc(Cl)c(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000105618608 564969655 /nfs/dbraw/zinc/96/96/55/564969655.db2.gz OKSDIWIQLNBUTR-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000153776446 565011023 /nfs/dbraw/zinc/01/10/23/565011023.db2.gz ZOERRLAFCKTVTI-MRXNPFEDSA-N -1 3 384.841 3.055 20 5 GGBDHM O=C([N-]c1cccn(CC(F)(F)F)c1=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000155474843 565068158 /nfs/dbraw/zinc/06/81/58/565068158.db2.gz SZTVZEXVDZZBHR-UHFFFAOYSA-N -1 3 375.690 3.225 20 5 GGBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(Cl)c1 ZINC000184250044 565122834 /nfs/dbraw/zinc/12/28/34/565122834.db2.gz YEYOCSXOTHQBOM-UHFFFAOYSA-N -1 3 380.731 3.144 20 5 GGBDHM CO[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000184603036 565146321 /nfs/dbraw/zinc/14/63/21/565146321.db2.gz RYNJPJNRXXEHAQ-MRXNPFEDSA-N -1 3 384.841 3.055 20 5 GGBDHM C[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000184590684 565146400 /nfs/dbraw/zinc/14/64/00/565146400.db2.gz XJUNHGYSZCQRSY-GFCCVEGCSA-N -1 3 384.841 3.135 20 5 GGBDHM CCOC(=O)c1cc(Br)ccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000157967615 565151784 /nfs/dbraw/zinc/15/17/84/565151784.db2.gz LMMMULBFCVRWBY-UHFFFAOYSA-N -1 3 383.154 3.379 20 5 GGBDHM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000187170571 565315218 /nfs/dbraw/zinc/31/52/18/565315218.db2.gz URZJVBBALUNGNC-UHFFFAOYSA-N -1 3 378.740 3.336 20 5 GGBDHM COc1c(F)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000187201849 565315879 /nfs/dbraw/zinc/31/58/79/565315879.db2.gz BJETUZOVXBCNSA-UHFFFAOYSA-N -1 3 378.740 3.336 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2F)c(C(F)(F)F)c1 ZINC000162701926 565325952 /nfs/dbraw/zinc/32/59/52/565325952.db2.gz JBEJUAHAQVQSOF-UHFFFAOYSA-N -1 3 378.303 3.231 20 5 GGBDHM COc1c(F)cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1[N+](=O)[O-] ZINC000187421580 565331389 /nfs/dbraw/zinc/33/13/89/565331389.db2.gz AFHQMLPEKQQZQM-UHFFFAOYSA-N -1 3 378.740 3.336 20 5 GGBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000167556632 565378616 /nfs/dbraw/zinc/37/86/16/565378616.db2.gz YSSKXDUCSRUXLN-GXFFZTMASA-N -1 3 382.825 3.091 20 5 GGBDHM O=C([N-]OCCC(F)(F)F)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000275245238 565398936 /nfs/dbraw/zinc/39/89/36/565398936.db2.gz UDQCTIRPMCVJAH-UHFFFAOYSA-N -1 3 375.072 3.110 20 5 GGBDHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000275691018 565424634 /nfs/dbraw/zinc/42/46/34/565424634.db2.gz IKRXJZSNECKZJZ-UHFFFAOYSA-N -1 3 383.857 3.153 20 5 GGBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CCc2csc(C(C)C)n2)c1[N+](=O)[O-] ZINC000189935099 565498439 /nfs/dbraw/zinc/49/84/39/565498439.db2.gz SSKLGKMBILCESL-UHFFFAOYSA-N -1 3 383.495 3.313 20 5 GGBDHM Cc1ccc(C)c(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)c1[N+](=O)[O-] ZINC000189974777 565499289 /nfs/dbraw/zinc/49/92/89/565499289.db2.gz YPZJFVDIRSVQLK-UHFFFAOYSA-N -1 3 381.479 3.416 20 5 GGBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CC(=O)c2cccs2)c1[N+](=O)[O-] ZINC000190090781 565507594 /nfs/dbraw/zinc/50/75/94/565507594.db2.gz QWFDXMSSPBFPFP-GFCCVEGCSA-N -1 3 382.463 3.213 20 5 GGBDHM Cc1cc(NCC[N-]S(=O)(=O)c2cccs2)c(Cl)cc1[N+](=O)[O-] ZINC000301773496 565509953 /nfs/dbraw/zinc/50/99/53/565509953.db2.gz KFNWHTGYZUWWRQ-UHFFFAOYSA-N -1 3 375.859 3.009 20 5 GGBDHM Cc1cc([N+](=O)[O-])ccc1NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000301802212 565510395 /nfs/dbraw/zinc/51/03/95/565510395.db2.gz SXKVPXBKWIEPGV-UHFFFAOYSA-N -1 3 375.859 3.009 20 5 GGBDHM O=C([N-]c1cccc2c1OCC(=O)N2)c1sc(Br)cc1[N+](=O)[O-] ZINC000378144599 565513956 /nfs/dbraw/zinc/51/39/56/565513956.db2.gz GLTHBLQRHMHRHV-UHFFFAOYSA-N -1 3 398.194 3.002 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)c(NCC[N-]S(=O)(=O)c2cccs2)c(Cl)c1 ZINC000302277000 565539592 /nfs/dbraw/zinc/53/95/92/565539592.db2.gz JABMSGLBEXRPRJ-UHFFFAOYSA-N -1 3 396.277 3.354 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000278292170 565549365 /nfs/dbraw/zinc/54/93/65/565549365.db2.gz BVSBQEIHYIVFBF-MRVPVSSYSA-N -1 3 395.384 3.251 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)c(Cl)c1 ZINC000190722626 565554086 /nfs/dbraw/zinc/55/40/86/565554086.db2.gz MAAPPHOWVQUSBF-ZDUSSCGKSA-N -1 3 386.788 3.189 20 5 GGBDHM 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/nfs/dbraw/zinc/52/47/02/566524702.db2.gz BIUQLAUGEUXIMA-UHFFFAOYSA-N -1 3 384.410 3.112 20 5 GGBDHM COc1cc(CN=c2[nH]c3cc(Br)ccc3o2)c([N+](=O)[O-])cc1[O-] ZINC000485965917 566544344 /nfs/dbraw/zinc/54/43/44/566544344.db2.gz MYOJNOYEMQCOIW-UHFFFAOYSA-N -1 3 394.181 3.247 20 5 GGBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)c1 ZINC000604033138 566550441 /nfs/dbraw/zinc/55/04/41/566550441.db2.gz ULGDTMXNNYIYGX-UHFFFAOYSA-N -1 3 378.303 3.231 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2C(F)(F)F)cc1 ZINC000604033031 566550592 /nfs/dbraw/zinc/55/05/92/566550592.db2.gz JQEAXZOISAWVPL-UHFFFAOYSA-N -1 3 378.303 3.231 20 5 GGBDHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000604033400 566551520 /nfs/dbraw/zinc/55/15/20/566551520.db2.gz LPAVQTITNDKKEE-FZMZJTMJSA-N -1 3 376.862 3.122 20 5 GGBDHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000512702170 566552334 /nfs/dbraw/zinc/55/23/34/566552334.db2.gz BJFODMFHJAXNKD-LBPRGKRZSA-N -1 3 384.841 3.302 20 5 GGBDHM COc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1Br ZINC000486173683 566564533 /nfs/dbraw/zinc/56/45/33/566564533.db2.gz VHJZBXSYKQSPPP-UHFFFAOYSA-N -1 3 391.181 3.495 20 5 GGBDHM COC(=O)c1c(C)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccc1Br ZINC000486293240 566575678 /nfs/dbraw/zinc/57/56/78/566575678.db2.gz NWNAFMBVFYFXQJ-UHFFFAOYSA-N -1 3 383.154 3.298 20 5 GGBDHM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000539637676 566593028 /nfs/dbraw/zinc/59/30/28/566593028.db2.gz CVYXEGWCIPJQPM-AAEUAGOBSA-N -1 3 376.862 3.120 20 5 GGBDHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000539637677 566593769 /nfs/dbraw/zinc/59/37/69/566593769.db2.gz CVYXEGWCIPJQPM-DGCLKSJQSA-N -1 3 376.862 3.120 20 5 GGBDHM Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1[O-] ZINC000513300564 566594367 /nfs/dbraw/zinc/59/43/67/566594367.db2.gz KTDRZYLROUKDPT-UHFFFAOYSA-N -1 3 398.156 3.466 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccccc2OCC2CC2)cc1[N+](=O)[O-] ZINC000467042599 566619577 /nfs/dbraw/zinc/61/95/77/566619577.db2.gz ANKVUTIUADSCDH-UHFFFAOYSA-N -1 3 382.463 3.232 20 5 GGBDHM CO[C@H](c1ccc(F)cc1)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467049672 566621670 /nfs/dbraw/zinc/62/16/70/566621670.db2.gz VKTLPBYIKHBMFC-VFZGTOFNSA-N -1 3 388.442 3.158 20 5 GGBDHM CO[C@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467064287 566622480 /nfs/dbraw/zinc/62/24/80/566622480.db2.gz UWZWEELVUHLMCO-VFZGTOFNSA-N -1 3 388.442 3.158 20 5 GGBDHM CC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)Oc1ccccc1F ZINC000467071596 566623768 /nfs/dbraw/zinc/62/37/68/566623768.db2.gz JHKMSAZBWWCYMJ-NSHDSACASA-N -1 3 388.442 3.240 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCc2c[nH]c3c2cccc3C)cc1[N+](=O)[O-] ZINC000467077929 566623943 /nfs/dbraw/zinc/62/39/43/566623943.db2.gz DZLRHUUTDJBLLS-UHFFFAOYSA-N -1 3 379.463 3.275 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000486816503 566625864 /nfs/dbraw/zinc/62/58/64/566625864.db2.gz BZXXVQOIUFFINP-QMMMGPOBSA-N -1 3 395.384 3.418 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCCn2ccc3ccccc32)cc1[N+](=O)[O-] ZINC000467258294 566636542 /nfs/dbraw/zinc/63/65/42/566636542.db2.gz CEWNXUVHYYSNGD-UHFFFAOYSA-N -1 3 379.463 3.288 20 5 GGBDHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467394252 566643430 /nfs/dbraw/zinc/64/34/30/566643430.db2.gz OHZZDPUIESNMRF-LLVKDONJSA-N -1 3 384.479 3.273 20 5 GGBDHM CCc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467401623 566643618 /nfs/dbraw/zinc/64/36/18/566643618.db2.gz COEPJKFVHMWHFL-ZDUSSCGKSA-N -1 3 382.463 3.329 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCCCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000467393775 566643861 /nfs/dbraw/zinc/64/38/61/566643861.db2.gz ARMIAOKOQPKTSL-UHFFFAOYSA-N -1 3 388.442 3.241 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000467402287 566643974 /nfs/dbraw/zinc/64/39/74/566643974.db2.gz GEDPXFXMXOQMEX-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467422651 566646215 /nfs/dbraw/zinc/64/62/15/566646215.db2.gz FHWHOEFBUAXVBF-UHFFFAOYSA-N -1 3 384.479 3.229 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCCCOc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000467422374 566646653 /nfs/dbraw/zinc/64/66/53/566646653.db2.gz AZZNNCPDYBBNNO-UHFFFAOYSA-N -1 3 384.479 3.411 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)cc1[N+](=O)[O-] ZINC000467423881 566646681 /nfs/dbraw/zinc/64/66/81/566646681.db2.gz FJRRYZONSQJMML-UHFFFAOYSA-N -1 3 378.834 3.278 20 5 GGBDHM COc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467422812 566646751 /nfs/dbraw/zinc/64/67/51/566646751.db2.gz HIBIONOPRCCQCT-UHFFFAOYSA-N -1 3 384.479 3.273 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000487092064 566648219 /nfs/dbraw/zinc/64/82/19/566648219.db2.gz ZLAYPSPUWBMLSO-MRXNPFEDSA-N -1 3 378.475 3.212 20 5 GGBDHM O=C([N-]c1nncn1-c1ccccc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000540613650 566661017 /nfs/dbraw/zinc/66/10/17/566661017.db2.gz GEHCIBHPRQNKKX-UHFFFAOYSA-N -1 3 388.181 3.190 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(Cl)cc1 ZINC000487341909 566664981 /nfs/dbraw/zinc/66/49/81/566664981.db2.gz SCNXSKDRTYMKQC-AWEZNQCLSA-N -1 3 384.841 3.223 20 5 GGBDHM Cc1cscc1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000487383108 566668481 /nfs/dbraw/zinc/66/84/81/566668481.db2.gz XTMPUIVKUDQAJD-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1cccc(Cl)c1 ZINC000580250429 566677612 /nfs/dbraw/zinc/67/76/12/566677612.db2.gz BZLUZGNGOQIURH-AWEZNQCLSA-N -1 3 384.841 3.223 20 5 GGBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCc2ccc(Br)cc21 ZINC000488048834 566706429 /nfs/dbraw/zinc/70/64/29/566706429.db2.gz ODSIAKDLGCGQCZ-UHFFFAOYSA-N -1 3 387.193 3.437 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1cc2c(s1)CCCC2 ZINC000515516433 566717593 /nfs/dbraw/zinc/71/75/93/566717593.db2.gz AQKPTBQFJYTXSE-UHFFFAOYSA-N -1 3 382.463 3.022 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)c(Cl)c1 ZINC000515516713 566717765 /nfs/dbraw/zinc/71/77/65/566717765.db2.gz ICDVTCLYDSDUPA-UHFFFAOYSA-N -1 3 381.262 3.484 20 5 GGBDHM COc1ccc(F)cc1[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000515516595 566717936 /nfs/dbraw/zinc/71/79/36/566717936.db2.gz HEPKTVQYKUCUJI-VIFPVBQESA-N -1 3 388.804 3.435 20 5 GGBDHM O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1sccc1Br ZINC000426771961 566728593 /nfs/dbraw/zinc/72/85/93/566728593.db2.gz HQOGXNCOTKONQU-LBPRGKRZSA-N -1 3 385.239 3.204 20 5 GGBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(F)cc1Br ZINC000426818447 566732528 /nfs/dbraw/zinc/73/25/28/566732528.db2.gz RWCVLOFRRUTKBI-AWEZNQCLSA-N -1 3 397.200 3.282 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]Cc2csc3ccccc23)c([N+](=O)[O-])c1 ZINC000515759760 566733202 /nfs/dbraw/zinc/73/32/02/566733202.db2.gz ZBAVPBBZYLDQQX-UHFFFAOYSA-N -1 3 378.431 3.297 20 5 GGBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cc(F)ccc1Br ZINC000426820030 566733623 /nfs/dbraw/zinc/73/36/23/566733623.db2.gz XLDMXFHCZJDTHF-AWEZNQCLSA-N -1 3 397.200 3.282 20 5 GGBDHM Cn1cc(Br)c(=NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[n-]1 ZINC000581012770 566742992 /nfs/dbraw/zinc/74/29/92/566742992.db2.gz LNNBXXRUMHFSSD-UHFFFAOYSA-N -1 3 381.230 3.063 20 5 GGBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000488765507 566745672 /nfs/dbraw/zinc/74/56/72/566745672.db2.gz SRVWWNGNWOLGAM-UHFFFAOYSA-N -1 3 378.303 3.231 20 5 GGBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000609030234 566747845 /nfs/dbraw/zinc/74/78/45/566747845.db2.gz OAUTYSOTWHGZPQ-UHFFFAOYSA-N -1 3 385.239 3.144 20 5 GGBDHM COC1CCC(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000541829086 566752891 /nfs/dbraw/zinc/75/28/91/566752891.db2.gz TXAGGMGWKPQOCU-UHFFFAOYSA-N -1 3 376.862 3.122 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000609315508 566757903 /nfs/dbraw/zinc/75/79/03/566757903.db2.gz BWJQCONJBBGKLU-UHFFFAOYSA-N -1 3 385.239 3.144 20 5 GGBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c(C)c1 ZINC000609418817 566764088 /nfs/dbraw/zinc/76/40/88/566764088.db2.gz WANKYNJMCAVRFO-UHFFFAOYSA-N -1 3 399.266 3.453 20 5 GGBDHM Cc1cccc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000609418165 566764188 /nfs/dbraw/zinc/76/41/88/566764188.db2.gz UCGGTUPJHUISHU-UHFFFAOYSA-N -1 3 385.239 3.144 20 5 GGBDHM Cc1cc(Br)ccc1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000609542656 566769850 /nfs/dbraw/zinc/76/98/50/566769850.db2.gz UKPPBNVMPDVBJN-UHFFFAOYSA-N -1 3 399.266 3.453 20 5 GGBDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc([O-])ccc1Br)CCO2 ZINC000516693661 566779101 /nfs/dbraw/zinc/77/91/01/566779101.db2.gz YCLXEBAFNOPECF-UHFFFAOYSA-N -1 3 379.210 3.458 20 5 GGBDHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1[O-] ZINC000516754173 566779718 /nfs/dbraw/zinc/77/97/18/566779718.db2.gz URRRDNBGFXRULM-UHFFFAOYSA-N -1 3 381.182 3.471 20 5 GGBDHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609824732 566788541 /nfs/dbraw/zinc/78/85/41/566788541.db2.gz LPFQZNSABHJCEL-NHYWBVRUSA-N -1 3 390.889 3.368 20 5 GGBDHM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609824729 566788743 /nfs/dbraw/zinc/78/87/43/566788743.db2.gz LPFQZNSABHJCEL-IAQYHMDHSA-N -1 3 390.889 3.368 20 5 GGBDHM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609824727 566788982 /nfs/dbraw/zinc/78/89/82/566788982.db2.gz LPFQZNSABHJCEL-ABAIWWIYSA-N -1 3 390.889 3.368 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)c1cccc(Cl)c1 ZINC000610006067 566799066 /nfs/dbraw/zinc/79/90/66/566799066.db2.gz XAPYSNJUSBBHBL-UHFFFAOYSA-N -1 3 384.841 3.470 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cccc(F)c1F ZINC000489774891 566810341 /nfs/dbraw/zinc/81/03/41/566810341.db2.gz XXEZKKRHBUDTFC-UHFFFAOYSA-N -1 3 376.768 3.047 20 5 GGBDHM COc1cc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1C ZINC000610161570 566812260 /nfs/dbraw/zinc/81/22/60/566812260.db2.gz CERWAZIFULTAEZ-UHFFFAOYSA-N -1 3 384.841 3.086 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000490014727 566824708 /nfs/dbraw/zinc/82/47/08/566824708.db2.gz GTURXJXTLJDHCG-LLVKDONJSA-N -1 3 378.397 3.097 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCCOC1CCCCC1 ZINC000490167694 566833261 /nfs/dbraw/zinc/83/32/61/566833261.db2.gz MERCNNBKNSFJTG-UHFFFAOYSA-N -1 3 376.862 3.266 20 5 GGBDHM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc(Br)c1F ZINC000470011351 566836340 /nfs/dbraw/zinc/83/63/40/566836340.db2.gz JQFYOLFTQIZESQ-UHFFFAOYSA-N -1 3 387.117 3.128 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1c[nH]c2cc(Cl)ccc12 ZINC000610512839 566840381 /nfs/dbraw/zinc/84/03/81/566840381.db2.gz MKWSZIGZTGZFEV-UHFFFAOYSA-N -1 3 379.825 3.251 20 5 GGBDHM CC(C)([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1[N+](=O)[O-] ZINC000490467718 566855742 /nfs/dbraw/zinc/85/57/42/566855742.db2.gz FDRIWGLFBSPARX-UHFFFAOYSA-N -1 3 389.227 3.164 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)c(Cl)c1 ZINC000610711740 566856669 /nfs/dbraw/zinc/85/66/69/566856669.db2.gz ATMLFXRSRDGTMZ-GFCCVEGCSA-N -1 3 389.216 3.314 20 5 GGBDHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000610786521 566864138 /nfs/dbraw/zinc/86/41/38/566864138.db2.gz BPYCJTGZCWZUQG-HNNXBMFYSA-N -1 3 384.841 3.223 20 5 GGBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000610786544 566864267 /nfs/dbraw/zinc/86/42/67/566864267.db2.gz GQFHYDFFAJVHOK-AWEZNQCLSA-N -1 3 388.804 3.053 20 5 GGBDHM CC(C)C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)C ZINC000610957784 566878059 /nfs/dbraw/zinc/87/80/59/566878059.db2.gz LZZGMZMCZCQONW-UHFFFAOYSA-N -1 3 379.276 3.316 20 5 GGBDHM COc1ccc(Br)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000491027242 566889892 /nfs/dbraw/zinc/88/98/92/566889892.db2.gz JBRWTJVPDRYVQY-UHFFFAOYSA-N -1 3 391.181 3.495 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000518595167 566894048 /nfs/dbraw/zinc/89/40/48/566894048.db2.gz NDJJDQBTVUVVKV-CHWSQXEVSA-N -1 3 397.250 3.192 20 5 GGBDHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000519174496 566926096 /nfs/dbraw/zinc/92/60/96/566926096.db2.gz NUKAUHCDVWVLAK-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Br ZINC000429605954 566941009 /nfs/dbraw/zinc/94/10/09/566941009.db2.gz ADOHTQBWKZKXLR-UHFFFAOYSA-N -1 3 382.170 3.109 20 5 GGBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccc(Cl)c(C)c2)cc1[N+](=O)[O-] ZINC000493770305 566954370 /nfs/dbraw/zinc/95/43/70/566954370.db2.gz VDGICVUCFYABQX-UHFFFAOYSA-N -1 3 388.804 3.183 20 5 GGBDHM CCN(CC)S(=O)(=O)c1ccc(Sc2cccc([O-])c2)c([N+](=O)[O-])c1 ZINC000544415743 566962865 /nfs/dbraw/zinc/96/28/65/566962865.db2.gz PEESRLAKTQOJJI-UHFFFAOYSA-N -1 3 382.463 3.482 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000519891258 566977659 /nfs/dbraw/zinc/97/76/59/566977659.db2.gz PEMLLSMJFDIZMZ-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM CO[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000612679765 566988545 /nfs/dbraw/zinc/98/85/45/566988545.db2.gz VSHUPZPLOVVFFZ-MRXNPFEDSA-N -1 3 384.841 3.055 20 5 GGBDHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000583901311 566994686 /nfs/dbraw/zinc/99/46/86/566994686.db2.gz XFKVHLHJJINQMB-UHFFFAOYSA-N -1 3 383.857 3.208 20 5 GGBDHM COc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)c(Br)c1[O-] ZINC000544839797 567000606 /nfs/dbraw/zinc/00/06/06/567000606.db2.gz IIHLSPOPNQOXOZ-UHFFFAOYSA-N -1 3 381.226 3.404 20 5 GGBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c1 ZINC000520895314 567031438 /nfs/dbraw/zinc/03/14/38/567031438.db2.gz BTFXMECVYZTBFO-UHFFFAOYSA-N -1 3 397.250 3.325 20 5 GGBDHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000431068236 567049975 /nfs/dbraw/zinc/04/99/75/567049975.db2.gz BJCQNPOXXXHLKK-LLVKDONJSA-N -1 3 382.825 3.188 20 5 GGBDHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000521288207 567051796 /nfs/dbraw/zinc/05/17/96/567051796.db2.gz JAFQHVYKAFNULB-TVQRCGJNSA-N -1 3 377.260 3.214 20 5 GGBDHM COC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1Cl ZINC000431180371 567063976 /nfs/dbraw/zinc/06/39/76/567063976.db2.gz GXGDGMZXLHXATN-UHFFFAOYSA-N -1 3 384.797 3.144 20 5 GGBDHM Cc1cc(S(=O)(=O)[N-]CCNc2ccccc2[N+](=O)[O-])sc1Cl ZINC000473910278 567114836 /nfs/dbraw/zinc/11/48/36/567114836.db2.gz FSKRIYCVJBNSEE-UHFFFAOYSA-N -1 3 375.859 3.009 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1c(F)cccc1F ZINC000522555266 567119135 /nfs/dbraw/zinc/11/91/35/567119135.db2.gz UPZPUYMZAVIPSO-CABZTGNLSA-N -1 3 388.779 3.361 20 5 GGBDHM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000497774410 567122861 /nfs/dbraw/zinc/12/28/61/567122861.db2.gz TXTGTDTXPHJSAH-SNVBAGLBSA-N -1 3 388.804 3.133 20 5 GGBDHM O=C([N-]c1ncc(-c2ccc(Br)cc2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000588780850 567137931 /nfs/dbraw/zinc/13/79/31/567137931.db2.gz BLNXZLJAEGPCCQ-UHFFFAOYSA-N -1 3 394.210 3.456 20 5 GGBDHM O=C([N-]c1nc(-c2cccs2)ns1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000497985693 567140580 /nfs/dbraw/zinc/14/05/80/567140580.db2.gz NXWNZYSEUXAXNH-UHFFFAOYSA-N -1 3 376.375 3.156 20 5 GGBDHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000566396598 567155693 /nfs/dbraw/zinc/15/56/93/567155693.db2.gz LRSQKHJFNKUJDJ-NHYWBVRUSA-N -1 3 390.889 3.368 20 5 GGBDHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1nc2cc(Cl)ccc2s1 ZINC000546797839 567159458 /nfs/dbraw/zinc/15/94/58/567159458.db2.gz IZQZWFCRXZHMFG-UHFFFAOYSA-N -1 3 397.865 3.478 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000523523092 567160248 /nfs/dbraw/zinc/16/02/48/567160248.db2.gz MOHGRHQTYGVAMX-UHFFFAOYSA-N -1 3 384.816 3.397 20 5 GGBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1Br ZINC000524255071 567190128 /nfs/dbraw/zinc/19/01/28/567190128.db2.gz FHHPIMBXNSMILT-UHFFFAOYSA-N -1 3 387.193 3.422 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Br ZINC000524335002 567193905 /nfs/dbraw/zinc/19/39/05/567193905.db2.gz WKCFMFDYQPEXEK-CYBMUJFWSA-N -1 3 397.250 3.323 20 5 GGBDHM COc1cc(Br)cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000498771214 567199483 /nfs/dbraw/zinc/19/94/83/567199483.db2.gz REFGYBQFWAQXDY-UHFFFAOYSA-N -1 3 391.181 3.495 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cc2ccccc2[nH]1 ZINC000433441079 567249663 /nfs/dbraw/zinc/24/96/63/567249663.db2.gz BBLKBLOEETVONH-UHFFFAOYSA-N -1 3 379.825 3.251 20 5 GGBDHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000617222868 567291173 /nfs/dbraw/zinc/29/11/73/567291173.db2.gz WOFOMQPNPPUDMU-MRVPVSSYSA-N -1 3 395.275 3.141 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc(F)cc(F)c2)c(Cl)c1 ZINC000500376326 567317658 /nfs/dbraw/zinc/31/76/58/567317658.db2.gz DLRWUGCKHMMZPP-UHFFFAOYSA-N -1 3 376.768 3.047 20 5 GGBDHM O=C(NCc1ccc([O-])c(Br)c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000476392505 567320596 /nfs/dbraw/zinc/32/05/96/567320596.db2.gz PERPOBXZDNUMHE-UHFFFAOYSA-N -1 3 390.193 3.474 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000500776014 567344442 /nfs/dbraw/zinc/34/44/42/567344442.db2.gz CTNCRPSQAVTRLR-UHFFFAOYSA-N -1 3 383.857 3.419 20 5 GGBDHM O=C([N-]c1nc(-c2cccc(Br)c2)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000548747788 567346134 /nfs/dbraw/zinc/34/61/34/567346134.db2.gz VFBYEKDZEWIBRR-UHFFFAOYSA-N -1 3 394.210 3.456 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c(Cl)c1 ZINC000435225491 567350794 /nfs/dbraw/zinc/35/07/94/567350794.db2.gz HRLFDLPUWZOUHR-XOKHGSTOSA-N -1 3 378.837 3.255 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000435223756 567351105 /nfs/dbraw/zinc/35/11/05/567351105.db2.gz BPFCDZOIMIOPBG-XOKHGSTOSA-N -1 3 378.837 3.255 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000435431055 567364321 /nfs/dbraw/zinc/36/43/21/567364321.db2.gz BMKBWEQSGRUFJL-QWHCGFSZSA-N -1 3 397.250 3.192 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000435434013 567366081 /nfs/dbraw/zinc/36/60/81/567366081.db2.gz VRNABHHFNBQDDL-UONOGXRCSA-N -1 3 382.825 3.091 20 5 GGBDHM CNC(=O)c1cccc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1Br ZINC000570078573 567456952 /nfs/dbraw/zinc/45/69/52/567456952.db2.gz TXTGIAHGIZHZQZ-UHFFFAOYSA-N -1 3 384.211 3.031 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)c1c(F)cccc1Cl ZINC000619488978 567459078 /nfs/dbraw/zinc/45/90/78/567459078.db2.gz VJUUXBLIZSYQBU-SECBINFHSA-N -1 3 388.804 3.435 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000619486374 567459133 /nfs/dbraw/zinc/45/91/33/567459133.db2.gz MXUOMYONXOWVET-UHFFFAOYSA-N -1 3 382.825 3.224 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1Cl ZINC000619488979 567459170 /nfs/dbraw/zinc/45/91/70/567459170.db2.gz VJUUXBLIZSYQBU-VIFPVBQESA-N -1 3 388.804 3.435 20 5 GGBDHM O=c1[nH]c(Cc2ccc([N+](=O)[O-])cc2Br)nc2ccc([O-])cc12 ZINC000436929354 567466527 /nfs/dbraw/zinc/46/65/27/567466527.db2.gz VDGLQXSMWMOAHQ-UHFFFAOYSA-N -1 3 376.166 3.303 20 5 GGBDHM Cc1nc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)sc1C(F)(F)F ZINC000619659300 567473072 /nfs/dbraw/zinc/47/30/72/567473072.db2.gz HXJMMRCINPORCD-UHFFFAOYSA-N -1 3 375.284 3.360 20 5 GGBDHM O=C([N-]c1nnc(SCc2ccc(Cl)cc2)s1)c1cc([N+](=O)[O-])n[nH]1 ZINC000478663480 567474630 /nfs/dbraw/zinc/47/46/30/567474630.db2.gz QRQFVFLIROHDCD-UHFFFAOYSA-N -1 3 396.841 3.367 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000619751929 567478771 /nfs/dbraw/zinc/47/87/71/567478771.db2.gz BVLUDUMICPRGNB-MRVPVSSYSA-N -1 3 391.268 3.458 20 5 GGBDHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000478768043 567483130 /nfs/dbraw/zinc/48/31/30/567483130.db2.gz NTJJLOOSUPUDBB-ZIAGYGMSSA-N -1 3 376.862 3.120 20 5 GGBDHM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000478786038 567484153 /nfs/dbraw/zinc/48/41/53/567484153.db2.gz ZDRBYBVYYGDOSR-GXTWGEPZSA-N -1 3 376.862 3.120 20 5 GGBDHM CSCCCCC[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000478895926 567489585 /nfs/dbraw/zinc/48/95/85/567489585.db2.gz XDKDFLLEIFVRTM-UHFFFAOYSA-N -1 3 397.316 3.169 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000437333604 567493468 /nfs/dbraw/zinc/49/34/68/567493468.db2.gz RUHDUPJJXHUXEM-NXEZZACHSA-N -1 3 384.351 3.381 20 5 GGBDHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594771793 567510736 /nfs/dbraw/zinc/51/07/36/567510736.db2.gz UDAMBPMLLZSNKU-UHFFFAOYSA-N -1 3 377.344 3.152 20 5 GGBDHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000479383307 567530602 /nfs/dbraw/zinc/53/06/02/567530602.db2.gz YUSOASDOYCBEHG-QMTHXVAHSA-N -1 3 376.862 3.120 20 5 GGBDHM Cc1c(CNC(=O)NCc2ccc([O-])c(Br)c2)cccc1[N+](=O)[O-] ZINC000479685956 567552531 /nfs/dbraw/zinc/55/25/31/567552531.db2.gz LDYBBNREHTUXQF-UHFFFAOYSA-N -1 3 394.225 3.371 20 5 GGBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000505753856 567594603 /nfs/dbraw/zinc/59/46/03/567594603.db2.gz ZLPOXUACTCEKKX-UHFFFAOYSA-N -1 3 375.332 3.486 20 5 GGBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000505753856 567594607 /nfs/dbraw/zinc/59/46/07/567594607.db2.gz ZLPOXUACTCEKKX-UHFFFAOYSA-N -1 3 375.332 3.486 20 5 GGBDHM COC1CCC(C)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000480441857 567605773 /nfs/dbraw/zinc/60/57/73/567605773.db2.gz CFEMMGKIODGHTO-UHFFFAOYSA-N -1 3 376.862 3.122 20 5 GGBDHM O=c1[n-]ccc(N2CCO[C@H](c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000596091209 567608925 /nfs/dbraw/zinc/60/89/25/567608925.db2.gz YHYTXJKZWYNXNH-ZDUSSCGKSA-N -1 3 380.198 3.036 20 5 GGBDHM O=c1[n-]ccc(N[C@@H]2CCN(c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000596214585 567616244 /nfs/dbraw/zinc/61/62/44/567616244.db2.gz WOMGDCDYJQGUQB-LLVKDONJSA-N -1 3 379.214 3.149 20 5 GGBDHM Cc1c(Br)cccc1C[C@H](CO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596262285 567619573 /nfs/dbraw/zinc/61/95/73/567619573.db2.gz YZNBZSQWGVFUBR-NSHDSACASA-N -1 3 396.241 3.029 20 5 GGBDHM Cc1c(Br)cccc1C[C@@H](CO)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596262284 567619844 /nfs/dbraw/zinc/61/98/44/567619844.db2.gz YZNBZSQWGVFUBR-LLVKDONJSA-N -1 3 396.241 3.029 20 5 GGBDHM O=C(Nc1cc(Br)ccc1[O-])c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531015385 567637056 /nfs/dbraw/zinc/63/70/56/567637056.db2.gz YHVJMRTXURTTQW-UHFFFAOYSA-N -1 3 395.165 3.086 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCCC3)O2)c(Cl)c1 ZINC000480899615 567641685 /nfs/dbraw/zinc/64/16/85/567641685.db2.gz PUCNWRRTSLQSHO-CYBMUJFWSA-N -1 3 388.873 3.408 20 5 GGBDHM CCc1nc(CC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])sc1C ZINC000481058161 567654110 /nfs/dbraw/zinc/65/41/10/567654110.db2.gz LMRMEEYDZOJKPZ-UHFFFAOYSA-N -1 3 383.495 3.060 20 5 GGBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000481078978 567656995 /nfs/dbraw/zinc/65/69/95/567656995.db2.gz WPPMDGCFGRYQGT-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM CSCc1cc(F)ccc1C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000531532778 567664304 /nfs/dbraw/zinc/66/43/04/567664304.db2.gz PVPAVTZSRNLITO-UHFFFAOYSA-N -1 3 384.454 3.384 20 5 GGBDHM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(Cl)cc(F)c2F)cc1[N+](=O)[O-] ZINC000441596709 567670211 /nfs/dbraw/zinc/67/02/11/567670211.db2.gz YPQDOCUBAFRARZ-UHFFFAOYSA-N -1 3 390.751 3.182 20 5 GGBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)c(Cl)c1 ZINC000553860739 567691853 /nfs/dbraw/zinc/69/18/53/567691853.db2.gz NEGRFOPVOCEEPS-UHFFFAOYSA-N -1 3 395.746 3.141 20 5 GGBDHM C[C@@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000532107646 567697778 /nfs/dbraw/zinc/69/77/78/567697778.db2.gz QQPZQZBPYAVLCG-NSHDSACASA-N -1 3 399.266 3.267 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3[nH]ccc3c2)c(Cl)c1 ZINC000443103779 567732543 /nfs/dbraw/zinc/73/25/43/567732543.db2.gz SLHMAKFQMGOGCA-UHFFFAOYSA-N -1 3 379.825 3.251 20 5 GGBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000573996468 567748968 /nfs/dbraw/zinc/74/89/68/567748968.db2.gz RGBULKIAAXCFDW-OAHLLOKOSA-N -1 3 384.841 3.223 20 5 GGBDHM COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)c([O-])c1 ZINC000443561203 567767230 /nfs/dbraw/zinc/76/72/30/567767230.db2.gz SPXCBNKQKMZZGC-UHFFFAOYSA-N -1 3 381.182 3.253 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccccc2Cl)c(Cl)c1 ZINC000443729951 567773828 /nfs/dbraw/zinc/77/38/28/567773828.db2.gz HVWASOYTNPRAHH-UHFFFAOYSA-N -1 3 391.232 3.259 20 5 GGBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000462114948 567774506 /nfs/dbraw/zinc/77/45/06/567774506.db2.gz ZMIUAZWHWNHIQP-UHFFFAOYSA-N -1 3 395.384 3.066 20 5 GGBDHM COC(=O)c1cnc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000443834238 567776962 /nfs/dbraw/zinc/77/69/62/567776962.db2.gz 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C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(-n2ccnc2)c1 ZINC000820461896 599094886 /nfs/dbraw/zinc/09/48/86/599094886.db2.gz SLDDFBHRWFMADK-LBPRGKRZSA-N -1 3 376.380 3.134 20 5 GGBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(-n2ccnc2)c1 ZINC000820461896 599094888 /nfs/dbraw/zinc/09/48/88/599094888.db2.gz SLDDFBHRWFMADK-LBPRGKRZSA-N -1 3 376.380 3.134 20 5 GGBDHM Cc1ccc([C@H]2OCCC[C@H]2CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822233068 599108519 /nfs/dbraw/zinc/10/85/19/599108519.db2.gz HMNRTNBQQRBDTH-WMLDXEAASA-N -1 3 395.423 3.058 20 5 GGBDHM Cc1ccc([C@H]2OCCC[C@H]2CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822233068 599108521 /nfs/dbraw/zinc/10/85/21/599108521.db2.gz HMNRTNBQQRBDTH-WMLDXEAASA-N -1 3 395.423 3.058 20 5 GGBDHM O=[N+]([O-])c1cc(Br)ccc1OCc1cc(-c2nnn[n-]2)ccc1F ZINC000738361201 599174500 /nfs/dbraw/zinc/17/45/00/599174500.db2.gz WMMSNEYLQVTBFV-UHFFFAOYSA-N -1 3 394.160 3.256 20 5 GGBDHM O=[N+]([O-])c1cc(Br)ccc1OCc1cc(-c2nn[n-]n2)ccc1F ZINC000738361201 599174505 /nfs/dbraw/zinc/17/45/05/599174505.db2.gz WMMSNEYLQVTBFV-UHFFFAOYSA-N -1 3 394.160 3.256 20 5 GGBDHM O=[N+]([O-])c1cc(Br)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000738361274 599174561 /nfs/dbraw/zinc/17/45/61/599174561.db2.gz XCHMTHBUTUKECP-UHFFFAOYSA-N -1 3 376.170 3.116 20 5 GGBDHM O=[N+]([O-])c1cc(Br)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000738361274 599174562 /nfs/dbraw/zinc/17/45/62/599174562.db2.gz XCHMTHBUTUKECP-UHFFFAOYSA-N -1 3 376.170 3.116 20 5 GGBDHM CC(C)OC(=O)NCc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735894807 599205520 /nfs/dbraw/zinc/20/55/20/599205520.db2.gz MLDXQIHWVJNRQA-UHFFFAOYSA-N -1 3 397.395 3.153 20 5 GGBDHM CC(C)OC(=O)NCc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735894807 599205523 /nfs/dbraw/zinc/20/55/23/599205523.db2.gz MLDXQIHWVJNRQA-UHFFFAOYSA-N -1 3 397.395 3.153 20 5 GGBDHM CN(Cc1ccccc1F)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736828459 599255617 /nfs/dbraw/zinc/25/56/17/599255617.db2.gz 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394.435 3.243 20 5 GGBDHM COc1ccccc1CC1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC000737152641 598353668 /nfs/dbraw/zinc/35/36/68/598353668.db2.gz KYUUKIRMCHHSLI-UHFFFAOYSA-N -1 3 394.435 3.243 20 5 GGBDHM COc1ccc(C(C)(C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000737073880 598363253 /nfs/dbraw/zinc/36/32/53/598363253.db2.gz UVICQPSSZKILNS-UHFFFAOYSA-N -1 3 398.423 3.182 20 5 GGBDHM COc1ccc(C(C)(C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000737073880 598363256 /nfs/dbraw/zinc/36/32/56/598363256.db2.gz UVICQPSSZKILNS-UHFFFAOYSA-N -1 3 398.423 3.182 20 5 GGBDHM COc1cccc(C2(CNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CCCC2)c1 ZINC000737130881 598503752 /nfs/dbraw/zinc/50/37/52/598503752.db2.gz ZJRADUWEXSKGSE-UHFFFAOYSA-N -1 3 395.423 3.102 20 5 GGBDHM COc1cccc(C2(CNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)CCCC2)c1 ZINC000737130881 598503753 /nfs/dbraw/zinc/50/37/53/598503753.db2.gz ZJRADUWEXSKGSE-UHFFFAOYSA-N -1 3 395.423 3.102 20 5 GGBDHM O=C(Nc1ccccc1-c1nnn[n-]1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738192696 598572607 /nfs/dbraw/zinc/57/26/07/598572607.db2.gz WJGPNWOCWPHYTI-UHFFFAOYSA-N -1 3 393.388 3.151 20 5 GGBDHM O=C(Nc1ccccc1-c1nn[n-]n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000738192696 598572608 /nfs/dbraw/zinc/57/26/08/598572608.db2.gz WJGPNWOCWPHYTI-UHFFFAOYSA-N -1 3 393.388 3.151 20 5 GGBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc(Cl)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000738368904 598679149 /nfs/dbraw/zinc/67/91/49/598679149.db2.gz FMSJRFHXUWXWPZ-AWEZNQCLSA-N -1 3 395.206 3.227 20 5 GGBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc(Cl)cc2Cl)c(-c2nn[n-]n2)c1 ZINC000738368904 598679150 /nfs/dbraw/zinc/67/91/50/598679150.db2.gz FMSJRFHXUWXWPZ-AWEZNQCLSA-N -1 3 395.206 3.227 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccc(Br)cc1F ZINC000738360769 598680633 /nfs/dbraw/zinc/68/06/33/598680633.db2.gz YOCCEUIQIZYGIF-UHFFFAOYSA-N -1 3 393.176 3.289 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccc(Br)cc1F ZINC000738360769 598680635 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382.409 3.261 20 5 GGBDHM Cc1csc([C@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)n1 ZINC000822409827 599521408 /nfs/dbraw/zinc/52/14/08/599521408.db2.gz VSBISKMPTWNSIW-VIFPVBQESA-N -1 3 382.409 3.261 20 5 GGBDHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000738265914 599533296 /nfs/dbraw/zinc/53/32/96/599533296.db2.gz GNJMAAXAHCTFHH-AWEZNQCLSA-N -1 3 396.382 3.013 20 5 GGBDHM O=C(c1ccc(F)cc1)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000738265914 599533297 /nfs/dbraw/zinc/53/32/97/599533297.db2.gz GNJMAAXAHCTFHH-AWEZNQCLSA-N -1 3 396.382 3.013 20 5 GGBDHM CC(C)n1cc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000820451646 599553837 /nfs/dbraw/zinc/55/38/37/599553837.db2.gz WNGFTYZTVJCMFK-LLVKDONJSA-N -1 3 393.411 3.274 20 5 GGBDHM CC(C)n1cc([C@@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000820451646 599553839 /nfs/dbraw/zinc/55/38/39/599553839.db2.gz WNGFTYZTVJCMFK-LLVKDONJSA-N -1 3 393.411 3.274 20 5 GGBDHM Cc1noc(C)c1[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822520056 599558831 /nfs/dbraw/zinc/55/88/31/599558831.db2.gz QSRISPBQXUXNSG-MRVPVSSYSA-N -1 3 380.368 3.101 20 5 GGBDHM Cc1noc(C)c1[C@@H](C)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822520056 599558832 /nfs/dbraw/zinc/55/88/32/599558832.db2.gz QSRISPBQXUXNSG-MRVPVSSYSA-N -1 3 380.368 3.101 20 5 GGBDHM O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823431802 599621067 /nfs/dbraw/zinc/62/10/67/599621067.db2.gz XZVHQEBVISQAAH-UHFFFAOYSA-N -1 3 393.281 3.151 20 5 GGBDHM O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823431802 599621068 /nfs/dbraw/zinc/62/10/68/599621068.db2.gz XZVHQEBVISQAAH-UHFFFAOYSA-N -1 3 393.281 3.151 20 5 GGBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccc(-n2cccn2)c1 ZINC000820461318 599687167 /nfs/dbraw/zinc/68/71/67/599687167.db2.gz HHLCDYNPSSJNAA-LBPRGKRZSA-N -1 3 376.380 3.134 20 5 GGBDHM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccc(-n2cccn2)c1 ZINC000820461318 599687168 /nfs/dbraw/zinc/68/71/68/599687168.db2.gz HHLCDYNPSSJNAA-LBPRGKRZSA-N -1 3 376.380 3.134 20 5 GGBDHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000820455682 599687257 /nfs/dbraw/zinc/68/72/57/599687257.db2.gz LLAOEALKOXRRKJ-GFCCVEGCSA-N -1 3 376.380 3.134 20 5 GGBDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000820455682 599687258 /nfs/dbraw/zinc/68/72/58/599687258.db2.gz LLAOEALKOXRRKJ-GFCCVEGCSA-N -1 3 376.380 3.134 20 5 GGBDHM CN(C)[C@H]1CCCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737359253 600209333 /nfs/dbraw/zinc/20/93/33/600209333.db2.gz OZOFWMOQJHLOLZ-HNNXBMFYSA-N -1 3 397.431 3.054 20 5 GGBDHM CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000825829806 607438517 /nfs/dbraw/zinc/43/85/17/607438517.db2.gz JFEOHFRKYPMERZ-UHFFFAOYSA-N -1 3 392.297 3.070 20 5 GGBDHM CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000825829806 607438519 /nfs/dbraw/zinc/43/85/19/607438519.db2.gz JFEOHFRKYPMERZ-UHFFFAOYSA-N -1 3 392.297 3.070 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000823640188 607468853 /nfs/dbraw/zinc/46/88/53/607468853.db2.gz WUSJQRYDHCWZMB-RDTXWAMCSA-N -1 3 398.398 3.007 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000823640188 607468855 /nfs/dbraw/zinc/46/88/55/607468855.db2.gz WUSJQRYDHCWZMB-RDTXWAMCSA-N -1 3 398.398 3.007 20 5 GGBDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000826053098 601202620 /nfs/dbraw/zinc/20/26/20/601202620.db2.gz IERLVTIITGFQIM-GTNSWQLSSA-N -1 3 391.811 3.238 20 5 GGBDHM COc1ccc(CN2CCCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)cc1 ZINC000582788739 601544265 /nfs/dbraw/zinc/54/42/65/601544265.db2.gz LXMYPMIMACFFHI-UHFFFAOYSA-N -1 3 399.447 3.322 20 5 GGBDHM Cc1ccc(F)cc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826289793 607522710 /nfs/dbraw/zinc/52/27/10/607522710.db2.gz NPFXLRYUZUZUTG-UHFFFAOYSA-N -1 3 376.735 3.128 20 5 GGBDHM Cc1ccc(F)cc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826289793 607522711 /nfs/dbraw/zinc/52/27/11/607522711.db2.gz NPFXLRYUZUZUTG-UHFFFAOYSA-N -1 3 376.735 3.128 20 5 GGBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1(c2ccccc2)CCC1 ZINC000826450429 607523586 /nfs/dbraw/zinc/52/35/86/607523586.db2.gz LZIBVYVWUXIHJI-UHFFFAOYSA-N -1 3 398.810 3.489 20 5 GGBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1(c2ccccc2)CCC1 ZINC000826450429 607523587 /nfs/dbraw/zinc/52/35/87/607523587.db2.gz LZIBVYVWUXIHJI-UHFFFAOYSA-N -1 3 398.810 3.489 20 5 GGBDHM CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000825825426 607578446 /nfs/dbraw/zinc/57/84/46/607578446.db2.gz AXLKYTGPWFUARV-UHFFFAOYSA-N -1 3 392.297 3.070 20 5 GGBDHM CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000825825426 607578448 /nfs/dbraw/zinc/57/84/48/607578448.db2.gz AXLKYTGPWFUARV-UHFFFAOYSA-N -1 3 392.297 3.070 20 5 GGBDHM CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC[C@@H]1c1ccccc1 ZINC000820995409 606038424 /nfs/dbraw/zinc/03/84/24/606038424.db2.gz QXSNBNYZVVKRGW-BBRMVZONSA-N -1 3 379.424 3.190 20 5 GGBDHM CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC[C@@H]1c1ccccc1 ZINC000820995409 606038430 /nfs/dbraw/zinc/03/84/30/606038430.db2.gz QXSNBNYZVVKRGW-BBRMVZONSA-N -1 3 379.424 3.190 20 5 GGBDHM CCO[C@H](CCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000821351105 606040092 /nfs/dbraw/zinc/04/00/92/606040092.db2.gz KZMYAOYINRSOAH-MRXNPFEDSA-N -1 3 385.428 3.186 20 5 GGBDHM CCO[C@H](CCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000821351105 606040102 /nfs/dbraw/zinc/04/01/02/606040102.db2.gz KZMYAOYINRSOAH-MRXNPFEDSA-N -1 3 385.428 3.186 20 5 GGBDHM CC(C)(C)OC(=O)CCC(C)(C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000819975792 606060326 /nfs/dbraw/zinc/06/03/26/606060326.db2.gz CXWZLOBEMHRCFC-UHFFFAOYSA-N -1 3 376.417 3.087 20 5 GGBDHM CC(C)(C)OC(=O)CCC(C)(C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000819975792 606060329 /nfs/dbraw/zinc/06/03/29/606060329.db2.gz CXWZLOBEMHRCFC-UHFFFAOYSA-N -1 3 376.417 3.087 20 5 GGBDHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000820919498 606152027 /nfs/dbraw/zinc/15/20/27/606152027.db2.gz DMBBFOUCHBKGRH-HNNXBMFYSA-N -1 3 381.396 3.356 20 5 GGBDHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1cccc([N+](=O)[O-])c1 ZINC000820919498 606152028 /nfs/dbraw/zinc/15/20/28/606152028.db2.gz DMBBFOUCHBKGRH-HNNXBMFYSA-N -1 3 381.396 3.356 20 5 GGBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc(Cl)c3)C2)c(-c2nnn[n-]2)c1 ZINC000823639467 606201288 /nfs/dbraw/zinc/20/12/88/606201288.db2.gz AVRHRYVVYCZZEC-GFCCVEGCSA-N -1 3 385.815 3.119 20 5 GGBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cccc(Cl)c3)C2)c(-c2nn[n-]n2)c1 ZINC000823639467 606201289 /nfs/dbraw/zinc/20/12/89/606201289.db2.gz AVRHRYVVYCZZEC-GFCCVEGCSA-N -1 3 385.815 3.119 20 5 GGBDHM C[C@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000820556069 606328836 /nfs/dbraw/zinc/32/88/36/606328836.db2.gz RGDQGBUOOLSBGI-VIFPVBQESA-N -1 3 388.384 3.033 20 5 GGBDHM C[C@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000820556069 606328838 /nfs/dbraw/zinc/32/88/38/606328838.db2.gz RGDQGBUOOLSBGI-VIFPVBQESA-N -1 3 388.384 3.033 20 5 GGBDHM C[C@@H](Sc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000820556067 606328866 /nfs/dbraw/zinc/32/88/66/606328866.db2.gz RGDQGBUOOLSBGI-SECBINFHSA-N -1 3 388.384 3.033 20 5 GGBDHM C[C@@H](Sc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000820556067 606328868 /nfs/dbraw/zinc/32/88/68/606328868.db2.gz RGDQGBUOOLSBGI-SECBINFHSA-N -1 3 388.384 3.033 20 5 GGBDHM C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820512333 606358308 /nfs/dbraw/zinc/35/83/08/606358308.db2.gz KHISEVHPKWLROC-NSHDSACASA-N -1 3 394.391 3.267 20 5 GGBDHM C[C@H](OC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820512333 606358309 /nfs/dbraw/zinc/35/83/09/606358309.db2.gz KHISEVHPKWLROC-NSHDSACASA-N -1 3 394.391 3.267 20 5 GGBDHM C[C@@H](OC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498184 606397322 /nfs/dbraw/zinc/39/73/22/606397322.db2.gz ZCPHIRNUSGHKMH-CYBMUJFWSA-N -1 3 396.407 3.271 20 5 GGBDHM C[C@@H](OC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498184 606397323 /nfs/dbraw/zinc/39/73/23/606397323.db2.gz ZCPHIRNUSGHKMH-CYBMUJFWSA-N -1 3 396.407 3.271 20 5 GGBDHM Cc1ccccc1[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)[C@H](C)CO1 ZINC000822351118 606476047 /nfs/dbraw/zinc/47/60/47/606476047.db2.gz KQGNJTHEBUOQEX-FZKQIMNGSA-N -1 3 380.408 3.050 20 5 GGBDHM Cc1ccccc1[C@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)[C@H](C)CO1 ZINC000822351118 606476049 /nfs/dbraw/zinc/47/60/49/606476049.db2.gz KQGNJTHEBUOQEX-FZKQIMNGSA-N -1 3 380.408 3.050 20 5 GGBDHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822229693 606577076 /nfs/dbraw/zinc/57/70/76/606577076.db2.gz ZOBOCNOBMDNBMQ-SNVBAGLBSA-N -1 3 385.359 3.105 20 5 GGBDHM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822229693 606577078 /nfs/dbraw/zinc/57/70/78/606577078.db2.gz ZOBOCNOBMDNBMQ-SNVBAGLBSA-N -1 3 385.359 3.105 20 5 GGBDHM Cc1cc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)ccc1[N+](=O)[O-] ZINC000822211927 606589162 /nfs/dbraw/zinc/58/91/62/606589162.db2.gz UGMFYTVUJNDFRY-UHFFFAOYSA-N -1 3 377.307 3.264 20 5 GGBDHM Cc1cc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)ccc1[N+](=O)[O-] ZINC000822211927 606589164 /nfs/dbraw/zinc/58/91/64/606589164.db2.gz UGMFYTVUJNDFRY-UHFFFAOYSA-N -1 3 377.307 3.264 20 5 GGBDHM O=[N+]([O-])c1cc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)ccc1F ZINC000823634689 606597690 /nfs/dbraw/zinc/59/76/90/606597690.db2.gz JYXWMOJSDAIFCH-UHFFFAOYSA-N -1 3 380.286 3.128 20 5 GGBDHM O=[N+]([O-])c1cc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)ccc1F ZINC000823634689 606597691 /nfs/dbraw/zinc/59/76/91/606597691.db2.gz JYXWMOJSDAIFCH-UHFFFAOYSA-N -1 3 380.286 3.128 20 5 GGBDHM CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820921349 606602203 /nfs/dbraw/zinc/60/22/03/606602203.db2.gz YKTGHFHPPBGCOJ-SJKOYZFVSA-N -1 3 395.423 3.286 20 5 GGBDHM CC[C@@H](NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820921349 606602204 /nfs/dbraw/zinc/60/22/04/606602204.db2.gz YKTGHFHPPBGCOJ-SJKOYZFVSA-N -1 3 395.423 3.286 20 5 GGBDHM Cc1ccc([C@H](C)OC(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822230264 606623125 /nfs/dbraw/zinc/62/31/25/606623125.db2.gz AQAWERQDXMOXLM-STQMWFEESA-N -1 3 397.391 3.155 20 5 GGBDHM O=[N+]([O-])c1cc(NCc2cccnc2OC2CCCC2)ccc1-c1nnn[n-]1 ZINC000823634520 606645061 /nfs/dbraw/zinc/64/50/61/606645061.db2.gz JIHSUPFYFZLDDL-UHFFFAOYSA-N -1 3 381.396 3.103 20 5 GGBDHM Cc1nc(CCNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)sc1C ZINC000822440138 606875841 /nfs/dbraw/zinc/87/58/41/606875841.db2.gz ICXCMYDGCMHNFY-UHFFFAOYSA-N -1 3 396.436 3.051 20 5 GGBDHM Cc1nc(CCNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)sc1C ZINC000822440138 606875842 /nfs/dbraw/zinc/87/58/42/606875842.db2.gz ICXCMYDGCMHNFY-UHFFFAOYSA-N -1 3 396.436 3.051 20 5 GGBDHM O=[N+]([O-])c1cc(NCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1Cl ZINC000823635440 607166695 /nfs/dbraw/zinc/16/66/95/607166695.db2.gz WMFZWXVIQXBTMJ-UHFFFAOYSA-N -1 3 398.770 3.090 20 5 GGBDHM O=[N+]([O-])c1cc(NCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)ccc1Cl ZINC000823635440 607166696 /nfs/dbraw/zinc/16/66/96/607166696.db2.gz WMFZWXVIQXBTMJ-UHFFFAOYSA-N -1 3 398.770 3.090 20 5 GGBDHM Cc1cc(Oc2ccc(-c3nnn[n-]3)cc2F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826271863 607934154 /nfs/dbraw/zinc/93/41/54/607934154.db2.gz KTEXGHCCOAPZOR-UHFFFAOYSA-N -1 3 393.338 3.472 20 5 GGBDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2F)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000826271863 607934155 /nfs/dbraw/zinc/93/41/55/607934155.db2.gz KTEXGHCCOAPZOR-UHFFFAOYSA-N -1 3 393.338 3.472 20 5 GGBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826421657 607967418 /nfs/dbraw/zinc/96/74/18/607967418.db2.gz SILOFPPNHZLQGB-UHFFFAOYSA-N -1 3 397.782 3.091 20 5 GGBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826421657 607967419 /nfs/dbraw/zinc/96/74/19/607967419.db2.gz SILOFPPNHZLQGB-UHFFFAOYSA-N -1 3 397.782 3.091 20 5 GGBDHM C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000824712571 607989747 /nfs/dbraw/zinc/98/97/47/607989747.db2.gz BFXOZWQQCPSGTO-LLVKDONJSA-N -1 3 392.375 3.103 20 5 GGBDHM C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000824712571 607989748 /nfs/dbraw/zinc/98/97/48/607989748.db2.gz BFXOZWQQCPSGTO-LLVKDONJSA-N -1 3 392.375 3.103 20 5 GGBDHM CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825962102 608031987 /nfs/dbraw/zinc/03/19/87/608031987.db2.gz RKDQXTORZGAEFW-UHFFFAOYSA-N -1 3 391.391 3.062 20 5 GGBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000825674847 608117393 /nfs/dbraw/zinc/11/73/93/608117393.db2.gz SUEOLUVKXYVXKD-UHFFFAOYSA-N -1 3 385.405 3.244 20 5 GGBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000825674847 608117394 /nfs/dbraw/zinc/11/73/94/608117394.db2.gz SUEOLUVKXYVXKD-UHFFFAOYSA-N -1 3 385.405 3.244 20 5 GGBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000826401857 608143661 /nfs/dbraw/zinc/14/36/61/608143661.db2.gz IFVPCFRTXPZJNY-YHYXMXQVSA-N -1 3 397.416 3.124 20 5 GGBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCCSc1ccc([N+](=O)[O-])cc1 ZINC000826401857 608143662 /nfs/dbraw/zinc/14/36/62/608143662.db2.gz IFVPCFRTXPZJNY-YHYXMXQVSA-N -1 3 397.416 3.124 20 5 GGBDHM CC(C)(C)[C@@H]1C[C@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824077657 608149321 /nfs/dbraw/zinc/14/93/21/608149321.db2.gz CUOSVSVZWKHXPH-BZNIZROVSA-N -1 3 397.439 3.329 20 5 GGBDHM CC(C)(C)[C@@H]1C[C@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)CCO1 ZINC000824077657 608149322 /nfs/dbraw/zinc/14/93/22/608149322.db2.gz CUOSVSVZWKHXPH-BZNIZROVSA-N -1 3 397.439 3.329 20 5 GGBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)[C@@H]1CCc2ccccc21 ZINC000826451170 608160190 /nfs/dbraw/zinc/16/01/90/608160190.db2.gz SYXGPGXXZKKOKE-GFCCVEGCSA-N -1 3 384.783 3.097 20 5 GGBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)[C@@H]1CCc2ccccc21 ZINC000826451170 608160192 /nfs/dbraw/zinc/16/01/92/608160192.db2.gz SYXGPGXXZKKOKE-GFCCVEGCSA-N -1 3 384.783 3.097 20 5 GGBDHM CC(C)CCSCC(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824249663 608160698 /nfs/dbraw/zinc/16/06/98/608160698.db2.gz QUCNOEPOWUUCGJ-UHFFFAOYSA-N -1 3 384.849 3.146 20 5 GGBDHM CC(C)CCSCC(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824249663 608160699 /nfs/dbraw/zinc/16/06/99/608160699.db2.gz QUCNOEPOWUUCGJ-UHFFFAOYSA-N -1 3 384.849 3.146 20 5 GGBDHM C[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000824458717 608160904 /nfs/dbraw/zinc/16/09/04/608160904.db2.gz XWYUMWDQSZZNPT-SNVBAGLBSA-N -1 3 386.799 3.246 20 5 GGBDHM C[C@H](Cc1ccccc1)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000824458717 608160905 /nfs/dbraw/zinc/16/09/05/608160905.db2.gz XWYUMWDQSZZNPT-SNVBAGLBSA-N -1 3 386.799 3.246 20 5 GGBDHM O=C(C=Cc1ccccc1F)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826403101 608161824 /nfs/dbraw/zinc/16/18/24/608161824.db2.gz JVFWXRJBQRMKIV-WAYWQWQTSA-N -1 3 388.746 3.219 20 5 GGBDHM O=C(C=Cc1ccccc1F)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826403101 608161826 /nfs/dbraw/zinc/16/18/26/608161826.db2.gz JVFWXRJBQRMKIV-WAYWQWQTSA-N -1 3 388.746 3.219 20 5 GGBDHM O=C(Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl)C1(Cc2ccccc2)CC1 ZINC000826450217 608163639 /nfs/dbraw/zinc/16/36/39/608163639.db2.gz BMNZPKKZFPHCKE-UHFFFAOYSA-N -1 3 398.810 3.390 20 5 GGBDHM O=C(Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)C1(Cc2ccccc2)CC1 ZINC000826450217 608163641 /nfs/dbraw/zinc/16/36/41/608163641.db2.gz BMNZPKKZFPHCKE-UHFFFAOYSA-N -1 3 398.810 3.390 20 5 GGBDHM Cn1c(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cc2ccccc21 ZINC000826355172 608163654 /nfs/dbraw/zinc/16/36/54/608163654.db2.gz NHOROVSDAFBDBW-UHFFFAOYSA-N -1 3 397.782 3.172 20 5 GGBDHM Cn1c(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cc2ccccc21 ZINC000826355172 608163657 /nfs/dbraw/zinc/16/36/57/608163657.db2.gz NHOROVSDAFBDBW-UHFFFAOYSA-N -1 3 397.782 3.172 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCc4c3cccc4O)cc(-c3nnn[n-]3)c2c1 ZINC000826499670 608381089 /nfs/dbraw/zinc/38/10/89/608381089.db2.gz RSDKHTVYWXZWJB-OAHLLOKOSA-N -1 3 389.375 3.128 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCc4c3cccc4O)cc(-c3nn[n-]n3)c2c1 ZINC000826499670 608381092 /nfs/dbraw/zinc/38/10/92/608381092.db2.gz RSDKHTVYWXZWJB-OAHLLOKOSA-N -1 3 389.375 3.128 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826293527 608480227 /nfs/dbraw/zinc/48/02/27/608480227.db2.gz SELWOASXVHSOGT-UHFFFAOYSA-N -1 3 390.403 3.013 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826293527 608480229 /nfs/dbraw/zinc/48/02/29/608480229.db2.gz SELWOASXVHSOGT-UHFFFAOYSA-N -1 3 390.403 3.013 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(OCc2ccccc2F)CC1 ZINC000826497786 608558904 /nfs/dbraw/zinc/55/89/04/608558904.db2.gz USWBSIGKTGWLIO-UHFFFAOYSA-N -1 3 398.398 3.100 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC(OCc2ccccc2F)CC1 ZINC000826497786 608558905 /nfs/dbraw/zinc/55/89/05/608558905.db2.gz USWBSIGKTGWLIO-UHFFFAOYSA-N -1 3 398.398 3.100 20 5 GGBDHM O=[N+]([O-])c1c(F)cccc1NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826497709 608559417 /nfs/dbraw/zinc/55/94/17/608559417.db2.gz QXKKZURAONZPGU-UHFFFAOYSA-N -1 3 399.386 3.111 20 5 GGBDHM O=[N+]([O-])c1c(F)cccc1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826497709 608559419 /nfs/dbraw/zinc/55/94/19/608559419.db2.gz QXKKZURAONZPGU-UHFFFAOYSA-N -1 3 399.386 3.111 20 5 GGBDHM O=[N+]([O-])c1cc(CNc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000826497935 608866942 /nfs/dbraw/zinc/86/69/42/608866942.db2.gz ZOXFAGVKRRSBLE-UHFFFAOYSA-N -1 3 375.186 3.150 20 5 GGBDHM O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826483285 608878104 /nfs/dbraw/zinc/87/81/04/608878104.db2.gz IADZWPBBUXKYNP-YCRREMRBSA-N -1 3 386.730 3.060 20 5 GGBDHM O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826483285 608878106 /nfs/dbraw/zinc/87/81/06/608878106.db2.gz IADZWPBBUXKYNP-YCRREMRBSA-N -1 3 386.730 3.060 20 5 GGBDHM Cc1cc(COC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)ccc1[N+](=O)[O-] ZINC000826267481 609284336 /nfs/dbraw/zinc/28/43/36/609284336.db2.gz HWTRMCYVZXLKKF-UHFFFAOYSA-N -1 3 399.432 3.060 20 5 GGBDHM Cc1cc(COC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826267481 609284338 /nfs/dbraw/zinc/28/43/38/609284338.db2.gz HWTRMCYVZXLKKF-UHFFFAOYSA-N -1 3 399.432 3.060 20 5 GGBDHM Cc1nnc(SCc2cc(Cl)ccc2[N+](=O)[O-])c(-c2nnn[n-]2)c1C ZINC000826337464 609309050 /nfs/dbraw/zinc/30/90/50/609309050.db2.gz PKURYMUJVABVBO-UHFFFAOYSA-N -1 3 377.817 3.127 20 5 GGBDHM Cc1nnc(SCc2cc(Cl)ccc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826337464 609309052 /nfs/dbraw/zinc/30/90/52/609309052.db2.gz PKURYMUJVABVBO-UHFFFAOYSA-N -1 3 377.817 3.127 20 5 GGBDHM CC1(C)C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C(C)(C)O1 ZINC000824791179 609318934 /nfs/dbraw/zinc/31/89/34/609318934.db2.gz WZNAVATYLXRAGX-CQSZACIVSA-N -1 3 383.412 3.081 20 5 GGBDHM CC1(C)C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C(C)(C)O1 ZINC000824791179 609318936 /nfs/dbraw/zinc/31/89/36/609318936.db2.gz WZNAVATYLXRAGX-CQSZACIVSA-N -1 3 383.412 3.081 20 5 GGBDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000824612230 609342891 /nfs/dbraw/zinc/34/28/91/609342891.db2.gz LDVRBWIEPDLSFE-SECBINFHSA-N -1 3 376.779 3.418 20 5 GGBDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000824612230 609342893 /nfs/dbraw/zinc/34/28/93/609342893.db2.gz LDVRBWIEPDLSFE-SECBINFHSA-N -1 3 376.779 3.418 20 5 GGBDHM C[C@H]1CC[C@@]2(CCN(c3cc(-c4nnn[n-]4)c4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC000824916068 609390354 /nfs/dbraw/zinc/39/03/54/609390354.db2.gz JGHHNYSSMIVICD-HXPMCKFVSA-N -1 3 379.424 3.340 20 5 GGBDHM C[C@H]1CC[C@@]2(CCN(c3cc(-c4nn[n-]n4)c4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC000824916068 609390356 /nfs/dbraw/zinc/39/03/56/609390356.db2.gz JGHHNYSSMIVICD-HXPMCKFVSA-N -1 3 379.424 3.340 20 5 GGBDHM COc1cc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826179388 609440067 /nfs/dbraw/zinc/44/00/67/609440067.db2.gz MPBQTXYGALGZJJ-UHFFFAOYSA-N -1 3 384.396 3.183 20 5 GGBDHM COc1cc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826179388 609440068 /nfs/dbraw/zinc/44/00/68/609440068.db2.gz MPBQTXYGALGZJJ-UHFFFAOYSA-N -1 3 384.396 3.183 20 5 GGBDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000826335422 609449060 /nfs/dbraw/zinc/44/90/60/609449060.db2.gz MLDXXRBVVBEYOC-UHFFFAOYSA-N -1 3 396.798 3.044 20 5 GGBDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000826335422 609449062 /nfs/dbraw/zinc/44/90/62/609449062.db2.gz MLDXXRBVVBEYOC-UHFFFAOYSA-N -1 3 396.798 3.044 20 5 GGBDHM COc1ccc(-c2nnn[n-]2)cc1COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000826184620 609490132 /nfs/dbraw/zinc/49/01/32/609490132.db2.gz DRHAWQJHOAOWKT-UHFFFAOYSA-N -1 3 395.297 3.381 20 5 GGBDHM COc1ccc(-c2nn[n-]n2)cc1COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000826184620 609490134 /nfs/dbraw/zinc/49/01/34/609490134.db2.gz DRHAWQJHOAOWKT-UHFFFAOYSA-N -1 3 395.297 3.381 20 5 GGBDHM CC(=CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823943964 609503953 /nfs/dbraw/zinc/50/39/53/609503953.db2.gz WBMMAPYQJYRLTP-FLIBITNWSA-N -1 3 383.339 3.061 20 5 GGBDHM CC(=CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000823943964 609503955 /nfs/dbraw/zinc/50/39/55/609503955.db2.gz WBMMAPYQJYRLTP-FLIBITNWSA-N -1 3 383.339 3.061 20 5 GGBDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000823942736 609507491 /nfs/dbraw/zinc/50/74/91/609507491.db2.gz IFFDOFOBKIPTDL-NTMALXAHSA-N -1 3 384.783 3.470 20 5 GGBDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000823942736 609507492 /nfs/dbraw/zinc/50/74/92/609507492.db2.gz IFFDOFOBKIPTDL-NTMALXAHSA-N -1 3 384.783 3.470 20 5 GGBDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000823942735 609507604 /nfs/dbraw/zinc/50/76/04/609507604.db2.gz IFFDOFOBKIPTDL-CSKARUKUSA-N -1 3 384.783 3.470 20 5 GGBDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000823942735 609507606 /nfs/dbraw/zinc/50/76/06/609507606.db2.gz IFFDOFOBKIPTDL-CSKARUKUSA-N -1 3 384.783 3.470 20 5 GGBDHM COc1cccc([C@H]2C[C@@H](C)CN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000826215550 609593182 /nfs/dbraw/zinc/59/31/82/609593182.db2.gz RYUKVOJAJZEOLX-KZULUSFZSA-N -1 3 380.408 3.371 20 5 GGBDHM COc1cccc([C@H]2C[C@@H](C)CN2c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000826215550 609593184 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O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185653199 1431196529 /nfs/dbraw/zinc/19/65/29/1431196529.db2.gz VYAQJZJCYYXIHB-UHFFFAOYSA-N -1 3 375.234 3.028 20 5 GGBDHM Cc1c(C(=O)[N-]c2ncn(C3CCCCC3)n2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000186010879 1431310804 /nfs/dbraw/zinc/31/08/04/1431310804.db2.gz CQHMPVCNOYZLQK-UHFFFAOYSA-N -1 3 388.384 3.469 20 5 GGBDHM Nc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1 ZINC000186096844 1431329840 /nfs/dbraw/zinc/32/98/40/1431329840.db2.gz RPBXJKMQTADJBU-UHFFFAOYSA-N -1 3 394.775 3.135 20 5 GGBDHM C[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c2c([O-])cccc21 ZINC000186293465 1431373723 /nfs/dbraw/zinc/37/37/23/1431373723.db2.gz WNJBSYGIWBXRNQ-LBPRGKRZSA-N -1 3 379.376 3.035 20 5 GGBDHM C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c2c([O-])cccc21 ZINC000186293698 1431374047 /nfs/dbraw/zinc/37/40/47/1431374047.db2.gz WOUYHSKZBBIIGN-NSHDSACASA-N -1 3 379.372 3.296 20 5 GGBDHM O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186921048 1431566119 /nfs/dbraw/zinc/56/61/19/1431566119.db2.gz ZQYSRWBXKYSBHV-UHFFFAOYSA-N -1 3 378.316 3.349 20 5 GGBDHM Cc1nc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)sc1Cc1ccccc1F ZINC000186974682 1431580638 /nfs/dbraw/zinc/58/06/38/1431580638.db2.gz SMCNJSMKFMNXOV-UHFFFAOYSA-N -1 3 388.380 3.443 20 5 GGBDHM CC(C)(C)c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n(Cc2ccccc2)n1 ZINC000187551669 1431764435 /nfs/dbraw/zinc/76/44/35/1431764435.db2.gz LDWPFIYJYZHFNT-UHFFFAOYSA-N -1 3 395.419 3.490 20 5 GGBDHM CC(C)c1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000188970932 1432019502 /nfs/dbraw/zinc/01/95/02/1432019502.db2.gz OKOZLZLILUSCDW-UHFFFAOYSA-N -1 3 377.422 3.342 20 5 GGBDHM COc1cc(CNc2ccc(Cc3nnc4n3CCC4)cc2)c([N+](=O)[O-])cc1[O-] ZINC000191652364 1432700376 /nfs/dbraw/zinc/70/03/76/1432700376.db2.gz AUVQODCLQAYUAM-UHFFFAOYSA-N -1 3 395.419 3.050 20 5 GGBDHM Cc1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(CN(C)C)c1 ZINC000191763721 1432720651 /nfs/dbraw/zinc/72/06/51/1432720651.db2.gz ITKYKOCRNOZYCE-UHFFFAOYSA-N -1 3 377.466 3.382 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)c(Cl)c1 ZINC000192268117 1432825149 /nfs/dbraw/zinc/82/51/49/1432825149.db2.gz BGPLUFDYYWHXOW-GUYCJALGSA-N -1 3 396.852 3.304 20 5 GGBDHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCCCO)c([N+](=O)[O-])c2)c(C)c1 ZINC000192802460 1432892819 /nfs/dbraw/zinc/89/28/19/1432892819.db2.gz PBNLUNVTAJYEKN-UHFFFAOYSA-N -1 3 393.465 3.197 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000192865792 1432900638 /nfs/dbraw/zinc/90/06/38/1432900638.db2.gz JVAYPUSDIALLMX-WBMJQRKESA-N -1 3 397.884 3.218 20 5 GGBDHM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000193106060 1432937079 /nfs/dbraw/zinc/93/70/79/1432937079.db2.gz AAFCOPGMYSYAEU-UHFFFAOYSA-N -1 3 380.275 3.433 20 5 GGBDHM O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193740417 1433050353 /nfs/dbraw/zinc/05/03/53/1433050353.db2.gz UODCAKMBJIBQMG-UHFFFAOYSA-N -1 3 393.281 3.152 20 5 GGBDHM COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1cc(OC)c([O-])cc1[N+](=O)[O-])N2 ZINC000264370354 1434103846 /nfs/dbraw/zinc/10/38/46/1434103846.db2.gz ABYCBSVEPONAFC-GOSISDBHSA-N -1 3 385.376 3.047 20 5 GGBDHM Cc1[nH]nc(C(=O)[N-]c2cc(-c3nnc4n3CCCCC4)ccc2F)c1[N+](=O)[O-] ZINC000264555259 1434127391 /nfs/dbraw/zinc/12/73/91/1434127391.db2.gz MKEGBGQAGREFLF-UHFFFAOYSA-N -1 3 399.386 3.003 20 5 GGBDHM CCCc1[nH]nc(C(=O)[N-]c2nc(C(C)(C)C)c(C(=O)OC)s2)c1[N+](=O)[O-] ZINC000268052183 1434491330 /nfs/dbraw/zinc/49/13/30/1434491330.db2.gz XDXASDKFLLZMKC-UHFFFAOYSA-N -1 3 395.441 3.063 20 5 GGBDHM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000271655724 1434842311 /nfs/dbraw/zinc/84/23/11/1434842311.db2.gz ISISEMPIEQTDCX-GXFFZTMASA-N -1 3 396.387 3.096 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000273392536 1434985671 /nfs/dbraw/zinc/98/56/71/1434985671.db2.gz DUDWUWCJRJRQQI-CZUORRHYSA-N -1 3 398.387 3.072 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000273392539 1434985796 /nfs/dbraw/zinc/98/57/96/1434985796.db2.gz DUDWUWCJRJRQQI-XJKSGUPXSA-N -1 3 398.387 3.072 20 5 GGBDHM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000276412249 1435210002 /nfs/dbraw/zinc/21/00/02/1435210002.db2.gz YISWCOYRRJPKMD-SECBINFHSA-N -1 3 381.772 3.015 20 5 GGBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OCC1CCOCC1 ZINC000278275440 1435375679 /nfs/dbraw/zinc/37/56/79/1435375679.db2.gz YOIPATWQJDOSKD-UHFFFAOYSA-N -1 3 387.392 3.062 20 5 GGBDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1 ZINC000282633873 1435854529 /nfs/dbraw/zinc/85/45/29/1435854529.db2.gz KSTBIKQLMHSVLR-UHFFFAOYSA-N -1 3 398.412 3.258 20 5 GGBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000282726282 1435857991 /nfs/dbraw/zinc/85/79/91/1435857991.db2.gz SBCJVHZRSMZMEF-UHFFFAOYSA-N -1 3 382.369 3.004 20 5 GGBDHM COc1ccc(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826202718 1449797271 /nfs/dbraw/zinc/79/72/71/1449797271.db2.gz KGXVOLGYITXVML-UHFFFAOYSA-N -1 3 382.424 3.197 20 5 GGBDHM COc1ccc(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826202718 1449797274 /nfs/dbraw/zinc/79/72/74/1449797274.db2.gz KGXVOLGYITXVML-UHFFFAOYSA-N -1 3 382.424 3.197 20 5 GGBDHM C[C@H](Sc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000736193428 944758084 /nfs/dbraw/zinc/75/80/84/944758084.db2.gz QYPROAATOGXQJN-VIFPVBQESA-N -1 3 388.384 3.033 20 5 GGBDHM C[C@H](Sc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000736193428 944758092 /nfs/dbraw/zinc/75/80/92/944758092.db2.gz QYPROAATOGXQJN-VIFPVBQESA-N -1 3 388.384 3.033 20 5 GGBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823426225 946428701 /nfs/dbraw/zinc/42/87/01/946428701.db2.gz DPKNXONVCSZJPF-UHFFFAOYSA-N -1 3 393.281 3.151 20 5 GGBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823426225 946428708 /nfs/dbraw/zinc/42/87/08/946428708.db2.gz DPKNXONVCSZJPF-UHFFFAOYSA-N -1 3 393.281 3.151 20 5 GGBDHM CC(=CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000823942367 946523501 /nfs/dbraw/zinc/52/35/01/946523501.db2.gz CKVREANCMDVFKV-CMDGGOBGSA-N -1 3 384.421 3.495 20 5 GGBDHM CC(=CC(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000823942367 946523517 /nfs/dbraw/zinc/52/35/17/946523517.db2.gz CKVREANCMDVFKV-CMDGGOBGSA-N -1 3 384.421 3.495 20 5 GGBDHM O=C(C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826405006 948231757 /nfs/dbraw/zinc/23/17/57/948231757.db2.gz SFPZMWDRRHOYGG-CQSZACIVSA-N -1 3 396.382 3.156 20 5 GGBDHM O=C(C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826405006 948231766 /nfs/dbraw/zinc/23/17/66/948231766.db2.gz SFPZMWDRRHOYGG-CQSZACIVSA-N -1 3 396.382 3.156 20 5 GGBDHM O=C(CCCc1ccsc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826406736 948237955 /nfs/dbraw/zinc/23/79/55/948237955.db2.gz KKRBTXUMJLYVEY-UHFFFAOYSA-N -1 3 392.828 3.451 20 5 GGBDHM O=C(CCCc1ccsc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826406736 948237960 /nfs/dbraw/zinc/23/79/60/948237960.db2.gz KKRBTXUMJLYVEY-UHFFFAOYSA-N -1 3 392.828 3.451 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c(Cl)c1 ZINC000826498763 948413858 /nfs/dbraw/zinc/41/38/58/948413858.db2.gz ITOSKMIVHLUULC-MRXNPFEDSA-N -1 3 386.799 3.006 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)c(Cl)c1 ZINC000826498763 948413865 /nfs/dbraw/zinc/41/38/65/948413865.db2.gz ITOSKMIVHLUULC-MRXNPFEDSA-N -1 3 386.799 3.006 20 5 GGBDHM CC(C)(C)O[C@H]1C[C@@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC001573863366 950475567 /nfs/dbraw/zinc/47/55/67/950475567.db2.gz FJHAISKXIZTJKU-CABCVRRESA-N -1 3 390.419 3.452 20 5 GGBDHM CC(C)(C)O[C@H]1C[C@@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC001573863366 950475579 /nfs/dbraw/zinc/47/55/79/950475579.db2.gz FJHAISKXIZTJKU-CABCVRRESA-N -1 3 390.419 3.452 20 5 GGBDHM C[C@H]1CCc2ccccc2N1CCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001576214806 950682160 /nfs/dbraw/zinc/68/21/60/950682160.db2.gz CFYTZYCQIHEMSR-ZDUSSCGKSA-N -1 3 379.424 3.028 20 5 GGBDHM C[C@H]1CCc2ccccc2N1CCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001576214806 950682175 /nfs/dbraw/zinc/68/21/75/950682175.db2.gz CFYTZYCQIHEMSR-ZDUSSCGKSA-N -1 3 379.424 3.028 20 5 GGBDHM C[C@@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC001575121998 951999636 /nfs/dbraw/zinc/99/96/36/951999636.db2.gz ITQDMOPJIMMXPJ-VIFPVBQESA-N -1 3 392.778 3.447 20 5 GGBDHM C[C@@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1 ZINC001575121998 951999640 /nfs/dbraw/zinc/99/96/40/951999640.db2.gz ITQDMOPJIMMXPJ-VIFPVBQESA-N -1 3 392.778 3.447 20 5 GGBDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001575189676 952457651 /nfs/dbraw/zinc/45/76/51/952457651.db2.gz 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CC(C)C1CCC(N2CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])CC2)CC1 ZINC000577734089 974841544 /nfs/dbraw/zinc/84/15/44/974841544.db2.gz QXZQTNZFWLMJHE-UHFFFAOYSA-N -1 3 376.457 3.025 20 5 GGBDHM CC(C)(C(=O)[O-])N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000630227398 975175471 /nfs/dbraw/zinc/17/54/71/975175471.db2.gz IVVGHEUOOJGFHV-UHFFFAOYSA-N -1 3 377.444 3.009 20 5 GGBDHM CO[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000902031708 980703329 /nfs/dbraw/zinc/70/33/29/980703329.db2.gz LFBQMHRQBZTIOE-FXAWDEMLSA-N -1 3 399.447 3.427 20 5 GGBDHM C[C@@H]1CN(CCCCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@H](C)O1 ZINC001594527615 986081233 /nfs/dbraw/zinc/08/12/33/986081233.db2.gz HBGXCABUBINEAF-TXEJJXNPSA-N -1 3 385.848 3.248 20 5 GGBDHM CN(C)C1(CNc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001598184120 990751624 /nfs/dbraw/zinc/75/16/24/990751624.db2.gz HKHZERBMMAFSMS-UHFFFAOYSA-N -1 3 383.404 3.030 20 5 GGBDHM CN(C)c1ncc(CN[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC001598359187 991488275 /nfs/dbraw/zinc/48/82/75/991488275.db2.gz JEKCNLYIYREXPB-OAQYLSRUSA-N -1 3 394.431 3.299 20 5 GGBDHM CN(Cc1ccccc1)C1CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001598529107 992756419 /nfs/dbraw/zinc/75/64/19/992756419.db2.gz UATAVFWQDSEGBE-UHFFFAOYSA-N -1 3 375.812 3.267 20 5 GGBDHM CO[C@@H](CNCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccccc1Cl ZINC001599054055 999216240 /nfs/dbraw/zinc/21/62/40/999216240.db2.gz KAIJTRFSAKOWAD-KRWDZBQOSA-N -1 3 394.811 3.189 20 5 GGBDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599064267 999288116 /nfs/dbraw/zinc/28/81/16/999288116.db2.gz VNWSCTZULKGNJO-BLVKFPJESA-N -1 3 392.383 3.063 20 5 GGBDHM O=C([O-])[C@@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1Br ZINC001601660602 1126224834 /nfs/dbraw/zinc/22/48/34/1126224834.db2.gz VKMXJADZBYZCLN-OAHLLOKOSA-N -1 3 379.210 3.143 20 5 GGBDHM CN(C)C(=O)c1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccc1Cl ZINC000057145446 205155629 /nfs/dbraw/zinc/15/56/29/205155629.db2.gz UNWIAZIVCAFEDL-UHFFFAOYSA-N -1 3 387.783 3.079 20 5 GGBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)c1 ZINC000026858063 564351094 /nfs/dbraw/zinc/35/10/94/564351094.db2.gz ONXWESLPRVUIMG-UHFFFAOYSA-N -1 3 384.410 3.112 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccccc1OC(F)F ZINC000029966200 564375963 /nfs/dbraw/zinc/37/59/63/564375963.db2.gz KVOPYEXBYLAFHK-UHFFFAOYSA-N -1 3 392.767 3.328 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000122955914 564433078 /nfs/dbraw/zinc/43/30/78/564433078.db2.gz GQYPERXTTAPGNU-UHFFFAOYSA-N -1 3 377.447 3.034 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCc2c[nH]c3cc(F)ccc23)cc1[N+](=O)[O-] ZINC000125068635 564501589 /nfs/dbraw/zinc/50/15/89/564501589.db2.gz ZBBQZHFLMJNBQE-UHFFFAOYSA-N -1 3 383.426 3.106 20 5 GGBDHM O=C(NCCc1cccc([N+](=O)[O-])c1)NCc1ccc([O-])c(Br)c1 ZINC000126057866 564534967 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3.423 20 5 GGBDHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000128968750 564634755 /nfs/dbraw/zinc/63/47/55/564634755.db2.gz WNOSZKCBTPRRFF-BZNIZROVSA-N -1 3 384.841 3.303 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Br)cs2)c(F)c1 ZINC000056094482 564641445 /nfs/dbraw/zinc/64/14/45/564641445.db2.gz QWOKNTCYPGFNHI-UHFFFAOYSA-N -1 3 395.231 3.036 20 5 GGBDHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000057785390 564674093 /nfs/dbraw/zinc/67/40/93/564674093.db2.gz MDXSUKKXDJFOOD-UHFFFAOYSA-N -1 3 383.813 3.316 20 5 GGBDHM Cc1nc2ccc([N-]S(=O)(=O)CCc3ccccc3[N+](=O)[O-])cc2s1 ZINC000133419633 564774002 /nfs/dbraw/zinc/77/40/02/564774002.db2.gz CFEAKDZHPOBJKE-UHFFFAOYSA-N -1 3 377.447 3.497 20 5 GGBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1ccc([O-])c(F)c1 ZINC000133646018 564781215 /nfs/dbraw/zinc/78/12/15/564781215.db2.gz SWRXTYOXOZZNIU-UHFFFAOYSA-N -1 3 383.173 3.061 20 5 GGBDHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000134191331 564796296 /nfs/dbraw/zinc/79/62/96/564796296.db2.gz GXBQWISHKSROIC-LLVKDONJSA-N -1 3 382.825 3.188 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCCC3)C2)c(Cl)c1 ZINC000134671504 564811927 /nfs/dbraw/zinc/81/19/27/564811927.db2.gz JPWHQZACAKLJDC-GFCCVEGCSA-N -1 3 388.873 3.408 20 5 GGBDHM O=C([N-]O[C@H]1CCCCO1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000136012926 564844159 /nfs/dbraw/zinc/84/41/59/564844159.db2.gz UJXYIJKLRVPVCP-JTQLQIEISA-N -1 3 379.594 3.199 20 5 GGBDHM Cc1cc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)sc1Br ZINC000150129702 564887079 /nfs/dbraw/zinc/88/70/79/564887079.db2.gz XDYRVKHTQDSOJZ-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c1C ZINC000096013507 564901186 /nfs/dbraw/zinc/90/11/86/564901186.db2.gz KLDLQCDEJURPGE-UHFFFAOYSA-N -1 3 384.797 3.144 20 5 GGBDHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000151421403 564919036 /nfs/dbraw/zinc/91/90/36/564919036.db2.gz JYGQXYHCUZGIHK-UHFFFAOYSA-N -1 3 394.352 3.331 20 5 GGBDHM CC(C)c1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000102412789 564929391 /nfs/dbraw/zinc/92/93/91/564929391.db2.gz WSFPMPAACYGZPG-UHFFFAOYSA-N -1 3 389.886 3.349 20 5 GGBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CC(=O)c2cccs2)c1C ZINC000152303226 564954681 /nfs/dbraw/zinc/95/46/81/564954681.db2.gz GPYXJMAHEYIKIE-NSHDSACASA-N -1 3 382.463 3.213 20 5 GGBDHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000152349244 564956148 /nfs/dbraw/zinc/95/61/48/564956148.db2.gz WGBHJVFNBQAJQU-VIFPVBQESA-N -1 3 388.854 3.250 20 5 GGBDHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000152349331 564956215 /nfs/dbraw/zinc/95/62/15/564956215.db2.gz WGBHJVFNBQAJQU-SECBINFHSA-N -1 3 388.854 3.250 20 5 GGBDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000111362868 565053330 /nfs/dbraw/zinc/05/33/30/565053330.db2.gz KJEGIAYAPCHCTM-MRVPVSSYSA-N -1 3 375.859 3.307 20 5 GGBDHM CSc1nsc([N-]C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)n1 ZINC000156209852 565075834 /nfs/dbraw/zinc/07/58/34/565075834.db2.gz FPSIVACLVDQBBN-UHFFFAOYSA-N -1 3 389.256 3.491 20 5 GGBDHM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000157173348 565121492 /nfs/dbraw/zinc/12/14/92/565121492.db2.gz DDOYTSPHKNNSGF-UHFFFAOYSA-N -1 3 396.588 3.306 20 5 GGBDHM CCOC(=O)[C@H]1CCCc2sc([N-]C(=O)c3ccc([N+](=O)[O-])s3)nc21 ZINC000294315455 565207803 /nfs/dbraw/zinc/20/78/03/565207803.db2.gz VNVXJJCPAKATIY-QMMMGPOBSA-N -1 3 381.435 3.348 20 5 GGBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000186236508 565248807 /nfs/dbraw/zinc/24/88/07/565248807.db2.gz RYZBAEKRWONZCC-SECBINFHSA-N -1 3 388.804 3.435 20 5 GGBDHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000186734534 565281229 /nfs/dbraw/zinc/28/12/29/565281229.db2.gz OXTPBUGBZJVTRT-QMMMGPOBSA-N -1 3 375.859 3.095 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccs2)c(C(F)(F)F)c1 ZINC000162714461 565326024 /nfs/dbraw/zinc/32/60/24/565326024.db2.gz FYJIODLZLTWFRF-UHFFFAOYSA-N -1 3 380.369 3.196 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(F)c2)c(C(F)(F)F)c1 ZINC000162775982 565328255 /nfs/dbraw/zinc/32/82/55/565328255.db2.gz OSBOOLMUDYYWBW-UHFFFAOYSA-N -1 3 378.303 3.231 20 5 GGBDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)s1 ZINC000163388269 565344769 /nfs/dbraw/zinc/34/47/69/565344769.db2.gz FMYYXEYTESQQNN-UHFFFAOYSA-N -1 3 395.384 3.165 20 5 GGBDHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCCS1 ZINC000163460908 565346024 /nfs/dbraw/zinc/34/60/24/565346024.db2.gz VRPFOAPJRZGWAP-GFCCVEGCSA-N -1 3 384.401 3.178 20 5 GGBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000187833165 565358146 /nfs/dbraw/zinc/35/81/46/565358146.db2.gz SOTMBPQXJXWCLL-UHFFFAOYSA-N -1 3 392.767 3.014 20 5 GGBDHM Cc1cc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000301809816 565510529 /nfs/dbraw/zinc/51/05/29/565510529.db2.gz WYICZFMLUUWMDA-UHFFFAOYSA-N -1 3 375.859 3.009 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000278452978 565560026 /nfs/dbraw/zinc/56/00/26/565560026.db2.gz WLUAHPJMEDUMSH-SSDOTTSWSA-N -1 3 381.357 3.110 20 5 GGBDHM O=C([N-]c1cncnc1N1CCCC1)c1sc(Br)cc1[N+](=O)[O-] ZINC000278508576 565563776 /nfs/dbraw/zinc/56/37/76/565563776.db2.gz LDSBORGESABGDO-UHFFFAOYSA-N -1 3 398.242 3.061 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1cccc(Br)c1 ZINC000314783227 565587308 /nfs/dbraw/zinc/58/73/08/565587308.db2.gz KLKPTHQLGIGACI-UHFFFAOYSA-N -1 3 385.239 3.144 20 5 GGBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000173807340 565588706 /nfs/dbraw/zinc/58/87/06/565588706.db2.gz HCVRNDMPGBAHKE-CQSZACIVSA-N -1 3 388.804 3.053 20 5 GGBDHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccncc2Br)c1C ZINC000316538451 565591594 /nfs/dbraw/zinc/59/15/94/565591594.db2.gz BGXPCQAPCLZCJF-UHFFFAOYSA-N -1 3 386.227 3.170 20 5 GGBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000173835967 565592286 /nfs/dbraw/zinc/59/22/86/565592286.db2.gz LNBSMKGPXYCDEM-JTQLQIEISA-N -1 3 395.384 3.500 20 5 GGBDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000173984668 565604122 /nfs/dbraw/zinc/60/41/22/565604122.db2.gz QXIZORCUEBJZJC-UHFFFAOYSA-N -1 3 383.813 3.180 20 5 GGBDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C2CC2)s1 ZINC000191990781 565648529 /nfs/dbraw/zinc/64/85/29/565648529.db2.gz ZXSXLXDUASSFBI-HNNXBMFYSA-N -1 3 381.479 3.406 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)c(Cl)c1 ZINC000410167414 565668068 /nfs/dbraw/zinc/66/80/68/565668068.db2.gz ALLWDVUBYJDQET-GHMZBOCLSA-N -1 3 384.788 3.077 20 5 GGBDHM Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000410180106 565669415 /nfs/dbraw/zinc/66/94/15/565669415.db2.gz WXQQDKZQMYLIOJ-DGCLKSJQSA-N -1 3 398.815 3.385 20 5 GGBDHM COC(=O)c1sccc1[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000175542214 565707566 /nfs/dbraw/zinc/70/75/66/565707566.db2.gz SWXBPMZFVHHEML-UHFFFAOYSA-N -1 3 385.195 3.458 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC(F)(F)CC2)c(Br)c1 ZINC000330529570 565711296 /nfs/dbraw/zinc/71/12/96/565711296.db2.gz LQDAADKDJFTSIN-UHFFFAOYSA-N -1 3 399.213 3.214 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccccc23)c(Cl)c1 ZINC000193714502 565771583 /nfs/dbraw/zinc/77/15/83/565771583.db2.gz PDQPAVXHEAHMCI-UHFFFAOYSA-N -1 3 379.825 3.251 20 5 GGBDHM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193730707 565772811 /nfs/dbraw/zinc/77/28/11/565772811.db2.gz AYNLOWLCMMCZAC-UHFFFAOYSA-N -1 3 377.769 3.120 20 5 GGBDHM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176721288 565797198 /nfs/dbraw/zinc/79/71/98/565797198.db2.gz AUZDKZSTWPRXJS-VIFPVBQESA-N -1 3 387.845 3.071 20 5 GGBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)c1 ZINC000194667178 565830288 /nfs/dbraw/zinc/83/02/88/565830288.db2.gz BVTKLPPRCNIQBC-UHFFFAOYSA-N -1 3 393.165 3.436 20 5 GGBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1 ZINC000194943597 565849193 /nfs/dbraw/zinc/84/91/93/565849193.db2.gz YNNJSVCGJRNEOV-UHFFFAOYSA-N -1 3 375.175 3.297 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1c(F)cccc1Cl ZINC000177579343 565860882 /nfs/dbraw/zinc/86/08/82/565860882.db2.gz HAEIAUNYZMYTMT-VIFPVBQESA-N -1 3 388.804 3.435 20 5 GGBDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416408292 566063876 /nfs/dbraw/zinc/06/38/76/566063876.db2.gz PBLOESOSORSCAF-VIFPVBQESA-N -1 3 384.376 3.096 20 5 GGBDHM CSCCCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416467106 566071867 /nfs/dbraw/zinc/07/18/67/566071867.db2.gz TVXQBWHEPRJOLJ-UHFFFAOYSA-N -1 3 386.417 3.425 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000288460300 566075013 /nfs/dbraw/zinc/07/50/13/566075013.db2.gz SLXUIXBRJJCYTF-HNNXBMFYSA-N -1 3 384.841 3.055 20 5 GGBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCC1CC(F)(F)C1 ZINC000416504011 566077890 /nfs/dbraw/zinc/07/78/90/566077890.db2.gz YEVLXQPEGCJCAQ-UHFFFAOYSA-N -1 3 388.314 3.327 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(s1)CCC2 ZINC000416538863 566083456 /nfs/dbraw/zinc/08/34/56/566083456.db2.gz RHBMVQPSQQCTHO-MRVPVSSYSA-N -1 3 387.870 3.233 20 5 GGBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(s1)CCC2 ZINC000416538865 566083654 /nfs/dbraw/zinc/08/36/54/566083654.db2.gz RHBMVQPSQQCTHO-QMMMGPOBSA-N -1 3 387.870 3.233 20 5 GGBDHM CC(C)COC[C@@H]([N-]c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000181500252 566144707 /nfs/dbraw/zinc/14/47/07/566144707.db2.gz RAVJCSPIUZQVEQ-LLVKDONJSA-N -1 3 388.467 3.479 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000181599077 566151807 /nfs/dbraw/zinc/15/18/07/566151807.db2.gz PKAVSIMLLVRKBC-BBRMVZONSA-N -1 3 382.825 3.057 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@H](C2CCCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000182792039 566223798 /nfs/dbraw/zinc/22/37/98/566223798.db2.gz RJRBRQDKJUWNOO-CYBMUJFWSA-N -1 3 382.360 3.003 20 5 GGBDHM Cc1ccc2c(Cn3cc(Br)c(=O)c([N+](=O)[O-])c3)ccc([O-])c2n1 ZINC000509073470 566259424 /nfs/dbraw/zinc/25/94/24/566259424.db2.gz AQKONVCOLFRSBP-UHFFFAOYSA-N -1 3 390.193 3.130 20 5 GGBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(CN(C)C)c(Cl)c1 ZINC000481868701 566259873 /nfs/dbraw/zinc/25/98/73/566259873.db2.gz QKTKYXCEBGHVEV-UHFFFAOYSA-N -1 3 383.857 3.419 20 5 GGBDHM CCO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000444985909 566263006 /nfs/dbraw/zinc/26/30/06/566263006.db2.gz IIAUNTYELGXARS-HNNXBMFYSA-N -1 3 384.841 3.304 20 5 GGBDHM Cn1c(=O)oc2cc([N-]C(=O)c3sc(Br)cc3[N+](=O)[O-])ccc21 ZINC000445179775 566271036 /nfs/dbraw/zinc/27/10/36/566271036.db2.gz JOARYSAMISZWJC-UHFFFAOYSA-N -1 3 398.194 3.116 20 5 GGBDHM CN(CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000462275731 566273912 /nfs/dbraw/zinc/27/39/12/566273912.db2.gz KRVVZOFDELPMPY-UHFFFAOYSA-N -1 3 396.296 3.054 20 5 GGBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000509375819 566294573 /nfs/dbraw/zinc/29/45/73/566294573.db2.gz MHZOJZNHSSZZTO-UHFFFAOYSA-N -1 3 376.312 3.445 20 5 GGBDHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1F ZINC000509396549 566297827 /nfs/dbraw/zinc/29/78/27/566297827.db2.gz LTYXCGXLGCVBAB-UHFFFAOYSA-N -1 3 376.312 3.445 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cc1[N+](=O)[O-] ZINC000509387579 566298695 /nfs/dbraw/zinc/29/86/95/566298695.db2.gz NRBICLHVHWQQAZ-UHFFFAOYSA-N -1 3 376.312 3.445 20 5 GGBDHM Cc1ccc(C(N)=O)cc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000446026530 566323936 /nfs/dbraw/zinc/32/39/36/566323936.db2.gz STOPDELQTQHDOE-UHFFFAOYSA-N -1 3 384.211 3.078 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000462573335 566325760 /nfs/dbraw/zinc/32/57/60/566325760.db2.gz LFMQHBQQVRVFIY-GFCCVEGCSA-N -1 3 384.841 3.302 20 5 GGBDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C12CCCC2 ZINC000462656885 566337251 /nfs/dbraw/zinc/33/72/51/566337251.db2.gz LVNOOUVGOSGWBG-HUUCEWRRSA-N -1 3 388.873 3.264 20 5 GGBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000462670312 566338486 /nfs/dbraw/zinc/33/84/86/566338486.db2.gz YEDBNEDPGVZART-OAHLLOKOSA-N -1 3 384.841 3.223 20 5 GGBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000462668176 566338662 /nfs/dbraw/zinc/33/86/62/566338662.db2.gz KNWASBXSBNPETM-OAHLLOKOSA-N -1 3 384.841 3.223 20 5 GGBDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCCC2 ZINC000462673394 566340135 /nfs/dbraw/zinc/34/01/35/566340135.db2.gz FQSJCHOBIUPUEM-LSDHHAIUSA-N -1 3 388.873 3.264 20 5 GGBDHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C12CCCC2 ZINC000462673391 566340612 /nfs/dbraw/zinc/34/06/12/566340612.db2.gz FQSJCHOBIUPUEM-CABCVRRESA-N -1 3 388.873 3.264 20 5 GGBDHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1F ZINC000462702584 566342572 /nfs/dbraw/zinc/34/25/72/566342572.db2.gz LYZOFKISFHJSJD-SNVBAGLBSA-N -1 3 388.804 3.133 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000462699514 566343153 /nfs/dbraw/zinc/34/31/53/566343153.db2.gz FJDNNRUFZCORBL-GFCCVEGCSA-N -1 3 384.841 3.302 20 5 GGBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1ccccc1F ZINC000462702888 566344426 /nfs/dbraw/zinc/34/44/26/566344426.db2.gz QAIBYHQNXFPJCP-SNVBAGLBSA-N -1 3 388.804 3.133 20 5 GGBDHM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000462702733 566344557 /nfs/dbraw/zinc/34/45/57/566344557.db2.gz IFJSITSWSVYBRK-GFCCVEGCSA-N -1 3 384.841 3.302 20 5 GGBDHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000462714627 566346236 /nfs/dbraw/zinc/34/62/36/566346236.db2.gz IDNDJXZCJAXYDI-GFCCVEGCSA-N -1 3 384.841 3.302 20 5 GGBDHM Nc1nc(Sc2n[n-]c(-c3cc(Cl)cc(Cl)c3)n2)ncc1[N+](=O)[O-] ZINC000462904569 566367178 /nfs/dbraw/zinc/36/71/78/566367178.db2.gz HBRSZKXNPOLJDU-UHFFFAOYSA-N -1 3 384.208 3.040 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)c(F)c1 ZINC000576670434 566367241 /nfs/dbraw/zinc/36/72/41/566367241.db2.gz NUFWDQWPISWFCK-SNVBAGLBSA-N -1 3 376.818 3.415 20 5 GGBDHM O=[N+]([O-])c1ccc2[nH]c(CNCc3cc([O-])ccc3Br)nc2c1 ZINC000446847137 566368522 /nfs/dbraw/zinc/36/85/22/566368522.db2.gz IYFBTKRNFJSADG-UHFFFAOYSA-N -1 3 377.198 3.229 20 5 GGBDHM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446940855 566371276 /nfs/dbraw/zinc/37/12/76/566371276.db2.gz HRKXINRKTOPGQZ-UWVGGRQHSA-N -1 3 377.260 3.214 20 5 GGBDHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000446946077 566373797 /nfs/dbraw/zinc/37/37/97/566373797.db2.gz NACTUPHAQWDHCI-BXKDBHETSA-N -1 3 377.260 3.214 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c(Br)c1 ZINC000447032693 566379965 /nfs/dbraw/zinc/37/99/65/566379965.db2.gz AAFACEZCXNOPKW-UHFFFAOYSA-N -1 3 397.250 3.325 20 5 GGBDHM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000447021863 566380080 /nfs/dbraw/zinc/38/00/80/566380080.db2.gz AVGSKPSGYNWFOB-SKDRFNHKSA-N -1 3 377.260 3.214 20 5 GGBDHM CCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000447016720 566380094 /nfs/dbraw/zinc/38/00/94/566380094.db2.gz KWLYYRDWAWKIGL-UHFFFAOYSA-N -1 3 377.260 3.216 20 5 GGBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 ZINC000447038624 566381825 /nfs/dbraw/zinc/38/18/25/566381825.db2.gz MBPWEFIIIMXVKQ-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM O=[N+]([O-])c1cccc(N2CCN(Cc3cc([O-])ccc3Br)CC2)c1 ZINC000510525758 566391766 /nfs/dbraw/zinc/39/17/66/566391766.db2.gz WPUBVGPBPFYFMN-UHFFFAOYSA-N -1 3 392.253 3.385 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000511032496 566429538 /nfs/dbraw/zinc/42/95/38/566429538.db2.gz RKUUNFWAWUZCNT-SECBINFHSA-N -1 3 380.813 3.164 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@H](c2cccs2)C(C)(C)CO)cc1[N+](=O)[O-] 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NC(=O)CCSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000519085837 566919680 /nfs/dbraw/zinc/91/96/80/566919680.db2.gz BFBBPMUTGJFYFI-UHFFFAOYSA-N -1 3 379.825 3.468 20 5 GGBDHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000519163565 566925941 /nfs/dbraw/zinc/92/59/41/566925941.db2.gz YNCPNHKTOKPHAD-UHFFFAOYSA-N -1 3 384.841 3.222 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000564100631 566945236 /nfs/dbraw/zinc/94/52/36/566945236.db2.gz BWNISDOGPBWKSF-AWEZNQCLSA-N -1 3 384.841 3.223 20 5 GGBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429840795 566956766 /nfs/dbraw/zinc/95/67/66/566956766.db2.gz CISDWTGEEHSZHP-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000429846144 566958177 /nfs/dbraw/zinc/95/81/77/566958177.db2.gz CGZNVOOQMYEUSN-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c(Br)c1 ZINC000429907744 566966076 /nfs/dbraw/zinc/96/60/76/566966076.db2.gz CTYBHTRPPJVBJI-MRVPVSSYSA-N -1 3 399.213 3.071 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCc2sc(Cl)cc21 ZINC000564358512 566966852 /nfs/dbraw/zinc/96/68/52/566966852.db2.gz SCHWULYYQNZUPH-SNVBAGLBSA-N -1 3 388.854 3.284 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1Br ZINC000430005064 566974297 /nfs/dbraw/zinc/97/42/97/566974297.db2.gz KRIJHXXBXOYARY-WCQYABFASA-N -1 3 397.250 3.192 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOc2ccc(F)cc2)c(Cl)c1 ZINC000520154414 566985946 /nfs/dbraw/zinc/98/59/46/566985946.db2.gz XHXZJTPAIGVPCP-UHFFFAOYSA-N -1 3 388.804 3.135 20 5 GGBDHM CO[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000544720406 566986490 /nfs/dbraw/zinc/98/64/90/566986490.db2.gz OVLNEMVWEPGUBU-MRXNPFEDSA-N -1 3 384.841 3.055 20 5 GGBDHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000544720403 566986556 /nfs/dbraw/zinc/98/65/56/566986556.db2.gz OVLNEMVWEPGUBU-INIZCTEOSA-N -1 3 384.841 3.055 20 5 GGBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000494325484 566988222 /nfs/dbraw/zinc/98/82/22/566988222.db2.gz COGMGUHBYWROTK-QMMMGPOBSA-N -1 3 388.339 3.142 20 5 GGBDHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000612679764 566989563 /nfs/dbraw/zinc/98/95/63/566989563.db2.gz VSHUPZPLOVVFFZ-INIZCTEOSA-N -1 3 384.841 3.055 20 5 GGBDHM Cc1ccccc1OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000520558202 567011727 /nfs/dbraw/zinc/01/17/27/567011727.db2.gz QABNCDAXAJJTFC-UHFFFAOYSA-N -1 3 384.841 3.304 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000613471816 567041143 /nfs/dbraw/zinc/04/11/43/567041143.db2.gz VZFHWHAIVOVSMZ-UHFFFAOYSA-N -1 3 381.479 3.043 20 5 GGBDHM O=C([N-]c1cc(Br)ccc1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000521113769 567042412 /nfs/dbraw/zinc/04/24/12/567042412.db2.gz DSNYXXUOKXDXMZ-UHFFFAOYSA-N -1 3 383.129 3.477 20 5 GGBDHM COc1cc(CNc2ccc(Br)c(C3CC3)n2)c([N+](=O)[O-])cc1[O-] ZINC000453055441 567051374 /nfs/dbraw/zinc/05/13/74/567051374.db2.gz ZWEQTSTVZVTFHX-UHFFFAOYSA-N -1 3 394.225 3.378 20 5 GGBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000521766044 567077407 /nfs/dbraw/zinc/07/74/07/567077407.db2.gz HZJWAUNZGCTNQO-UHFFFAOYSA-N -1 3 385.239 3.144 20 5 GGBDHM Cc1cc(NCc2nnc(C(F)(F)F)[n-]2)c(Br)cc1[N+](=O)[O-] ZINC000473511039 567086733 /nfs/dbraw/zinc/08/67/33/567086733.db2.gz SXPVERUVXQRYSO-UHFFFAOYSA-N -1 3 380.124 3.415 20 5 GGBDHM Cc1cc(NCc2n[n-]c(C(F)(F)F)n2)c(Br)cc1[N+](=O)[O-] ZINC000473511039 567086740 /nfs/dbraw/zinc/08/67/40/567086740.db2.gz SXPVERUVXQRYSO-UHFFFAOYSA-N -1 3 380.124 3.415 20 5 GGBDHM Cc1cc(NCc2nc(C(F)(F)F)n[n-]2)c(Br)cc1[N+](=O)[O-] ZINC000473511039 567086744 /nfs/dbraw/zinc/08/67/44/567086744.db2.gz SXPVERUVXQRYSO-UHFFFAOYSA-N -1 3 380.124 3.415 20 5 GGBDHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Cl)c1 ZINC000522360675 567114201 /nfs/dbraw/zinc/11/42/01/567114201.db2.gz LYGIYGMDFLFPHX-UHFFFAOYSA-N -1 3 383.813 3.316 20 5 GGBDHM CC(C)(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCCO)s1 ZINC000497635643 567114771 /nfs/dbraw/zinc/11/47/71/567114771.db2.gz BJJPRFFNDCMTEM-UHFFFAOYSA-N -1 3 382.467 3.081 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000522555267 567119879 /nfs/dbraw/zinc/11/98/79/567119879.db2.gz UPZPUYMZAVIPSO-JOYOIKCWSA-N -1 3 388.779 3.361 20 5 GGBDHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000614856707 567142686 /nfs/dbraw/zinc/14/26/86/567142686.db2.gz MAKOYOZATVAKDO-UHFFFAOYSA-N -1 3 377.344 3.152 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCC2CC(OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000432324633 567149563 /nfs/dbraw/zinc/14/95/63/567149563.db2.gz HOMWSZYONZUYKB-UHFFFAOYSA-N -1 3 376.500 3.227 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2F)c(Cl)c1 ZINC000523864293 567174614 /nfs/dbraw/zinc/17/46/14/567174614.db2.gz LSGIZXLZQFXWGS-ZANVPECISA-N -1 3 388.779 3.361 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2c(F)cccc2F)c(Cl)c1 ZINC000523864291 567174684 /nfs/dbraw/zinc/17/46/84/567174684.db2.gz LSGIZXLZQFXWGS-RNCFNFMXSA-N -1 3 388.779 3.361 20 5 GGBDHM CCCCN1CCCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000523908797 567176721 /nfs/dbraw/zinc/17/67/21/567176721.db2.gz QAZRCEITIBZRIW-ZDUSSCGKSA-N -1 3 389.905 3.181 20 5 GGBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC000590558834 567232265 /nfs/dbraw/zinc/23/22/65/567232265.db2.gz WVJMOUVEGUPIJZ-UHFFFAOYSA-N -1 3 391.181 3.120 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(Cl)c1 ZINC000567389975 567241678 /nfs/dbraw/zinc/24/16/78/567241678.db2.gz XGWXPDATAFCCLT-HNNXBMFYSA-N -1 3 384.841 3.223 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)c(Cl)cc2F)c([N+](=O)[O-])c1 ZINC000433447353 567251089 /nfs/dbraw/zinc/25/10/89/567251089.db2.gz NABYNPYGKUBLAN-UHFFFAOYSA-N -1 3 376.768 3.313 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)c(Cl)c1 ZINC000526049293 567286519 /nfs/dbraw/zinc/28/65/19/567286519.db2.gz DFVGPYKBSFBWCN-UHFFFAOYSA-N -1 3 376.768 3.047 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2Cl)c(F)c1 ZINC000500119805 567300833 /nfs/dbraw/zinc/30/08/33/567300833.db2.gz GGFMTGJDESWJGQ-UHFFFAOYSA-N -1 3 376.768 3.047 20 5 GGBDHM CN(C)Cc1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000500796260 567345912 /nfs/dbraw/zinc/34/59/12/567345912.db2.gz QNACQRRTQOYKFS-UHFFFAOYSA-N -1 3 383.857 3.252 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)c(Cl)c1 ZINC000435432146 567364563 /nfs/dbraw/zinc/36/45/63/567364563.db2.gz LSGIZXLZQFXWGS-NOZJJQNGSA-N -1 3 388.779 3.361 20 5 GGBDHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000435433662 567364963 /nfs/dbraw/zinc/36/49/63/567364963.db2.gz OSIXQFFXIALDRL-UONOGXRCSA-N -1 3 382.463 3.198 20 5 GGBDHM O=C([N-]c1nc(-c2ccc(Br)cc2)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000549157156 567376797 /nfs/dbraw/zinc/37/67/97/567376797.db2.gz WVQHTYQKJYXWDH-UHFFFAOYSA-N -1 3 394.210 3.456 20 5 GGBDHM CSc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000435588707 567377289 /nfs/dbraw/zinc/37/72/89/567377289.db2.gz NZIMAQUDHBICES-UHFFFAOYSA-N -1 3 386.882 3.491 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000435632445 567381453 /nfs/dbraw/zinc/38/14/53/567381453.db2.gz OJRGFIRCLAFZDU-CQSZACIVSA-N -1 3 387.527 3.040 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000549531594 567396941 /nfs/dbraw/zinc/39/69/41/567396941.db2.gz DNDQFZOCSJNPSR-UHFFFAOYSA-N -1 3 396.368 3.184 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000619549814 567464999 /nfs/dbraw/zinc/46/49/99/567464999.db2.gz GFXDWDCNHFSEDS-QWHCGFSZSA-N -1 3 382.825 3.091 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000619548797 567465042 /nfs/dbraw/zinc/46/50/42/567465042.db2.gz YZZJGQYCJAHUGV-QWHCGFSZSA-N -1 3 382.825 3.091 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccsc1 ZINC000619752197 567478886 /nfs/dbraw/zinc/47/88/86/567478886.db2.gz MNZKXNAWRIATAA-MRVPVSSYSA-N -1 3 391.268 3.458 20 5 GGBDHM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594755387 567508133 /nfs/dbraw/zinc/50/81/33/567508133.db2.gz XACTXKJSWGFWGG-RYUDHWBXSA-N -1 3 381.479 3.096 20 5 GGBDHM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594761998 567509760 /nfs/dbraw/zinc/50/97/60/567509760.db2.gz TTYCKUSJBNCZHL-KGLIPLIRSA-N -1 3 381.479 3.096 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000479203115 567515199 /nfs/dbraw/zinc/51/51/99/567515199.db2.gz VBBNADHMPAWZBD-VIFPVBQESA-N -1 3 388.804 3.435 20 5 GGBDHM CSCC1(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000594819765 567517278 /nfs/dbraw/zinc/51/72/78/567517278.db2.gz WMRLUGJTNRQMDQ-UHFFFAOYSA-N -1 3 398.428 3.425 20 5 GGBDHM CC(C)(C)OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000594850629 567521296 /nfs/dbraw/zinc/52/12/96/567521296.db2.gz XDFVMUFJGOFBHP-UHFFFAOYSA-N -1 3 384.376 3.097 20 5 GGBDHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000479383308 567530666 /nfs/dbraw/zinc/53/06/66/567530666.db2.gz YUSOASDOYCBEHG-YGRLFVJLSA-N -1 3 376.862 3.120 20 5 GGBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCc1ccco1 ZINC000595379090 567560791 /nfs/dbraw/zinc/56/07/91/567560791.db2.gz VNFZDHMREDNYSS-UHFFFAOYSA-N -1 3 378.328 3.118 20 5 GGBDHM CO[C@@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000479986191 567572669 /nfs/dbraw/zinc/57/26/69/567572669.db2.gz BTQRYINNFZQBNJ-MEDUHNTESA-N -1 3 384.841 3.303 20 5 GGBDHM CCNC(=O)c1cccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])c1 ZINC000571624411 567578210 /nfs/dbraw/zinc/57/82/10/567578210.db2.gz OGXSQEUTANNMCC-UHFFFAOYSA-N -1 3 398.238 3.421 20 5 GGBDHM O=c1[n-]ccc(NC[C@H]2CCN(c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000596088998 567608280 /nfs/dbraw/zinc/60/82/80/567608280.db2.gz QNMRDUOCYPYRBV-LLVKDONJSA-N -1 3 393.241 3.396 20 5 GGBDHM O=c1[n-]ccc(N[C@@H]2CCN(c3ccccc3Br)C2)c1[N+](=O)[O-] ZINC000596123961 567610575 /nfs/dbraw/zinc/61/05/75/567610575.db2.gz UHEMQWYJHVNNIS-SNVBAGLBSA-N -1 3 379.214 3.149 20 5 GGBDHM O=c1[n-]ccc(N[C@@H]2CCN(c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000596112527 567610600 /nfs/dbraw/zinc/61/06/00/567610600.db2.gz RSMIUYSGAHHPLT-LLVKDONJSA-N -1 3 379.214 3.149 20 5 GGBDHM O=c1[n-]ccc(N2CCO[C@H](c3ccc(F)c(Br)c3)C2)c1[N+](=O)[O-] ZINC000596197056 567614535 /nfs/dbraw/zinc/61/45/35/567614535.db2.gz QFHSEAYPBSODCR-ZDUSSCGKSA-N -1 3 398.188 3.175 20 5 GGBDHM Cc1ccc(C[C@@H](CO)CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1Br ZINC000596257647 567619971 /nfs/dbraw/zinc/61/99/71/567619971.db2.gz LWOABWLZCCVONA-GFCCVEGCSA-N -1 3 396.241 3.029 20 5 GGBDHM Cc1ccc(C[C@H](CO)CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1Br ZINC000596257648 567620025 /nfs/dbraw/zinc/62/00/25/567620025.db2.gz LWOABWLZCCVONA-LBPRGKRZSA-N -1 3 396.241 3.029 20 5 GGBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC000480707919 567622198 /nfs/dbraw/zinc/62/21/98/567622198.db2.gz KZGIKXYFKPRCJE-CYBMUJFWSA-N -1 3 382.825 3.277 20 5 GGBDHM COc1cccc(Cl)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000480742398 567626326 /nfs/dbraw/zinc/62/63/26/567626326.db2.gz WTQKRRPRBLVWOQ-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)c1C ZINC000481010548 567650526 /nfs/dbraw/zinc/65/05/26/567650526.db2.gz RLHARGNJRINDFQ-UHFFFAOYSA-N -1 3 383.495 3.444 20 5 GGBDHM COc1ccc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1Cl ZINC000481088535 567657959 /nfs/dbraw/zinc/65/79/59/567657959.db2.gz WYTICZRGDJLDRB-UHFFFAOYSA-N -1 3 384.841 3.352 20 5 GGBDHM C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000481219886 567663447 /nfs/dbraw/zinc/66/34/47/567663447.db2.gz HNGMQSGLECJYQN-UWVGGRQHSA-N -1 3 377.260 3.072 20 5 GGBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000572991512 567679275 /nfs/dbraw/zinc/67/92/75/567679275.db2.gz HALQLENQRFNJSX-UHFFFAOYSA-N -1 3 394.160 3.100 20 5 GGBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)c1 ZINC000442219473 567686992 /nfs/dbraw/zinc/68/69/92/567686992.db2.gz HGKUWCQNGYRXKQ-UHFFFAOYSA-N -1 3 380.275 3.275 20 5 GGBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000573148856 567691211 /nfs/dbraw/zinc/69/12/11/567691211.db2.gz JGEADVSAYJVSCU-UHFFFAOYSA-N -1 3 396.368 3.032 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](c1cccs1)C(C)(C)CO ZINC000573168872 567693982 /nfs/dbraw/zinc/69/39/82/567693982.db2.gz JNOTVLRVKYRGTN-OAHLLOKOSA-N -1 3 384.479 3.003 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc2[nH]ccc2c1 ZINC000443105013 567733004 /nfs/dbraw/zinc/73/30/04/567733004.db2.gz UKQMSKYFNHDDGS-UHFFFAOYSA-N -1 3 379.825 3.251 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)c([N+](=O)[O-])c1 ZINC000554912266 567755317 /nfs/dbraw/zinc/75/53/17/567755317.db2.gz FXLQFKYDUBLSHB-UHFFFAOYSA-N -1 3 378.431 3.297 20 5 GGBDHM Cc1cc(NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(F)cc1[N+](=O)[O-] ZINC000461971043 567757915 /nfs/dbraw/zinc/75/79/15/567757915.db2.gz HCRSYXXUCMPXCW-UHFFFAOYSA-N -1 3 393.849 3.148 20 5 GGBDHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C2CC2)n1 ZINC000598612403 567778668 /nfs/dbraw/zinc/77/86/68/567778668.db2.gz OJXYVCNXVKCPKG-CQSZACIVSA-N -1 3 381.479 3.406 20 5 GGBDHM COc1cc(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1Cl ZINC000555431097 567784231 /nfs/dbraw/zinc/78/42/31/567784231.db2.gz IYQQPVIEOWYCLP-UHFFFAOYSA-N -1 3 390.870 3.148 20 5 GGBDHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000533893789 567791971 /nfs/dbraw/zinc/79/19/71/567791971.db2.gz MQEULWPHAGWHTC-UHFFFAOYSA-N -1 3 384.797 3.340 20 5 GGBDHM CCOc1ccc(F)c([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1F ZINC000534618286 567815446 /nfs/dbraw/zinc/81/54/46/567815446.db2.gz CGUZISLCWYLICV-UHFFFAOYSA-N -1 3 376.312 3.212 20 5 GGBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000736634313 598830719 /nfs/dbraw/zinc/83/07/19/598830719.db2.gz GKJNVNQNMVPWDO-UHFFFAOYSA-N -1 3 396.407 3.090 20 5 GGBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000736634313 598830721 /nfs/dbraw/zinc/83/07/21/598830721.db2.gz GKJNVNQNMVPWDO-UHFFFAOYSA-N -1 3 396.407 3.090 20 5 GGBDHM Cc1nn(C)c(Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)c1[N+](=O)[O-] ZINC000737510639 598941871 /nfs/dbraw/zinc/94/18/71/598941871.db2.gz JAMXBCASKMHMNV-UHFFFAOYSA-N -1 3 392.379 3.353 20 5 GGBDHM Cc1nn(C)c(Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1[N+](=O)[O-] ZINC000737510639 598941873 /nfs/dbraw/zinc/94/18/73/598941873.db2.gz JAMXBCASKMHMNV-UHFFFAOYSA-N -1 3 392.379 3.353 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000738357889 599059282 /nfs/dbraw/zinc/05/92/82/599059282.db2.gz IODBJPABBWSIFJ-UHFFFAOYSA-N -1 3 398.770 3.090 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000738357889 599059285 /nfs/dbraw/zinc/05/92/85/599059285.db2.gz IODBJPABBWSIFJ-UHFFFAOYSA-N -1 3 398.770 3.090 20 5 GGBDHM O=[N+]([O-])c1cnc(Nc2ccc(OC3CCCC3)c(F)c2)c(-c2nnn[n-]2)c1 ZINC000823651484 599066986 /nfs/dbraw/zinc/06/69/86/599066986.db2.gz LSNDNLDIGQKILZ-UHFFFAOYSA-N -1 3 385.359 3.374 20 5 GGBDHM O=[N+]([O-])c1cnc(Nc2ccc(OC3CCCC3)c(F)c2)c(-c2nn[n-]n2)c1 ZINC000823651484 599066989 /nfs/dbraw/zinc/06/69/89/599066989.db2.gz LSNDNLDIGQKILZ-UHFFFAOYSA-N -1 3 385.359 3.374 20 5 GGBDHM O=[N+]([O-])c1ccc(Nc2cnn(Cc3ccc(Cl)cc3)c2)c(-c2nnn[n-]2)c1 ZINC000823645581 599088893 /nfs/dbraw/zinc/08/88/93/599088893.db2.gz UFWSTCYOOZLZTH-UHFFFAOYSA-N -1 3 396.798 3.417 20 5 GGBDHM O=[N+]([O-])c1ccc(Nc2cnn(Cc3ccc(Cl)cc3)c2)c(-c2nn[n-]n2)c1 ZINC000823645581 599088896 /nfs/dbraw/zinc/08/88/96/599088896.db2.gz UFWSTCYOOZLZTH-UHFFFAOYSA-N -1 3 396.798 3.417 20 5 GGBDHM CC(C)(C)OC(=O)Cc1cccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000819928682 599094542 /nfs/dbraw/zinc/09/45/42/599094542.db2.gz UWFJVVAXBXTLGL-UHFFFAOYSA-N -1 3 396.407 3.403 20 5 GGBDHM CC(C)(C)OC(=O)Cc1cccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])c1 ZINC000819928682 599094545 /nfs/dbraw/zinc/09/45/45/599094545.db2.gz UWFJVVAXBXTLGL-UHFFFAOYSA-N -1 3 396.407 3.403 20 5 GGBDHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463301166 599131835 /nfs/dbraw/zinc/13/18/35/599131835.db2.gz OLFDEKNAFKGEGU-UHFFFAOYSA-N -1 3 378.270 3.046 20 5 GGBDHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463301166 599131836 /nfs/dbraw/zinc/13/18/36/599131836.db2.gz OLFDEKNAFKGEGU-UHFFFAOYSA-N -1 3 378.270 3.046 20 5 GGBDHM C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000736115263 598279260 /nfs/dbraw/zinc/27/92/60/598279260.db2.gz GSSGSQOBRAOYOG-LLVKDONJSA-N -1 3 398.427 3.214 20 5 GGBDHM C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000736115263 598279261 /nfs/dbraw/zinc/27/92/61/598279261.db2.gz GSSGSQOBRAOYOG-LLVKDONJSA-N -1 3 398.427 3.214 20 5 GGBDHM CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000735647935 598304707 /nfs/dbraw/zinc/30/47/07/598304707.db2.gz HYMSLBWSPJMZGT-UHFFFAOYSA-N -1 3 398.398 3.142 20 5 GGBDHM CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000735647935 598304708 /nfs/dbraw/zinc/30/47/08/598304708.db2.gz HYMSLBWSPJMZGT-UHFFFAOYSA-N -1 3 398.398 3.142 20 5 GGBDHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000738101559 598305614 /nfs/dbraw/zinc/30/56/14/598305614.db2.gz IKNGGYZDNTYHKD-UHFFFAOYSA-N -1 3 398.379 3.059 20 5 GGBDHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000738101559 598305616 /nfs/dbraw/zinc/30/56/16/598305616.db2.gz IKNGGYZDNTYHKD-UHFFFAOYSA-N -1 3 398.379 3.059 20 5 GGBDHM COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC000737032394 598367611 /nfs/dbraw/zinc/36/76/11/598367611.db2.gz LVPMGKTXRFIMAA-UHFFFAOYSA-N -1 3 392.169 3.338 20 5 GGBDHM COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(Br)cc1[N+](=O)[O-] ZINC000737032394 598367612 /nfs/dbraw/zinc/36/76/12/598367612.db2.gz LVPMGKTXRFIMAA-UHFFFAOYSA-N -1 3 392.169 3.338 20 5 GGBDHM O=[N+]([O-])c1ccc(NCc2ccnc(N3CCCCCC3)c2)c(-c2nnn[n-]2)c1 ZINC000738368973 598428042 /nfs/dbraw/zinc/42/80/42/598428042.db2.gz GSMNLMUUYWFFIC-UHFFFAOYSA-N -1 3 394.439 3.162 20 5 GGBDHM O=[N+]([O-])c1ccc(NCc2ccnc(N3CCCCCC3)c2)c(-c2nn[n-]n2)c1 ZINC000738368973 598428043 /nfs/dbraw/zinc/42/80/43/598428043.db2.gz GSMNLMUUYWFFIC-UHFFFAOYSA-N -1 3 394.439 3.162 20 5 GGBDHM O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(-c2nnn[n-]2)cn1 ZINC000738245843 598478997 /nfs/dbraw/zinc/47/89/97/598478997.db2.gz YDKVGKFIVSRCHO-UHFFFAOYSA-N -1 3 382.383 3.320 20 5 GGBDHM O=C(OCc1nc2ccccc2c2ccccc12)c1ccc(-c2nn[n-]n2)cn1 ZINC000738245843 598478998 /nfs/dbraw/zinc/47/89/98/598478998.db2.gz YDKVGKFIVSRCHO-UHFFFAOYSA-N -1 3 382.383 3.320 20 5 GGBDHM CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505383 598568283 /nfs/dbraw/zinc/56/82/83/598568283.db2.gz HRRAMUBPXGEQRF-LLVKDONJSA-N -1 3 384.371 3.137 20 5 GGBDHM CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505383 598568284 /nfs/dbraw/zinc/56/82/84/598568284.db2.gz HRRAMUBPXGEQRF-LLVKDONJSA-N -1 3 384.371 3.137 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737373259 598648263 /nfs/dbraw/zinc/64/82/63/598648263.db2.gz RLENOPZWBZJUES-UHFFFAOYSA-N -1 3 396.407 3.271 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737373259 598648265 /nfs/dbraw/zinc/64/82/65/598648265.db2.gz RLENOPZWBZJUES-UHFFFAOYSA-N -1 3 396.407 3.271 20 5 GGBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccc(Cl)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000738368907 598678797 /nfs/dbraw/zinc/67/87/97/598678797.db2.gz FMSJRFHXUWXWPZ-CQSZACIVSA-N -1 3 395.206 3.227 20 5 GGBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccc(Cl)cc2Cl)c(-c2nn[n-]n2)c1 ZINC000738368907 598678799 /nfs/dbraw/zinc/67/87/99/598678799.db2.gz FMSJRFHXUWXWPZ-CQSZACIVSA-N -1 3 395.206 3.227 20 5 GGBDHM CCN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000736505748 599308806 /nfs/dbraw/zinc/30/88/06/599308806.db2.gz MEFRFZMXMDBSKY-UHFFFAOYSA-N -1 3 384.421 3.164 20 5 GGBDHM CCN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736505748 599308809 /nfs/dbraw/zinc/30/88/09/599308809.db2.gz MEFRFZMXMDBSKY-UHFFFAOYSA-N -1 3 384.421 3.164 20 5 GGBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000738248163 599373292 /nfs/dbraw/zinc/37/32/92/599373292.db2.gz XDYJKWJECCSLLV-UHFFFAOYSA-N -1 3 398.810 3.233 20 5 GGBDHM O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738248163 599373295 /nfs/dbraw/zinc/37/32/95/599373295.db2.gz XDYJKWJECCSLLV-UHFFFAOYSA-N -1 3 398.810 3.233 20 5 GGBDHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738235835 599500613 /nfs/dbraw/zinc/50/06/13/599500613.db2.gz XHDKFCIWTDRHDC-UHFFFAOYSA-N -1 3 398.766 3.038 20 5 GGBDHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738235835 599500614 /nfs/dbraw/zinc/50/06/14/599500614.db2.gz XHDKFCIWTDRHDC-UHFFFAOYSA-N -1 3 398.766 3.038 20 5 GGBDHM O=[N+]([O-])c1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000738367000 599523429 /nfs/dbraw/zinc/52/34/29/599523429.db2.gz MUIVOINNJXKXJM-UHFFFAOYSA-N -1 3 376.170 3.116 20 5 GGBDHM O=[N+]([O-])c1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000738367000 599523431 /nfs/dbraw/zinc/52/34/31/599523431.db2.gz MUIVOINNJXKXJM-UHFFFAOYSA-N -1 3 376.170 3.116 20 5 GGBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000820557009 599526773 /nfs/dbraw/zinc/52/67/73/599526773.db2.gz XELHJCUJPHJCOF-RYUDHWBXSA-N -1 3 398.448 3.133 20 5 GGBDHM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000820557009 599526776 /nfs/dbraw/zinc/52/67/76/599526776.db2.gz XELHJCUJPHJCOF-RYUDHWBXSA-N -1 3 398.448 3.133 20 5 GGBDHM CC(C)c1cc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)on1 ZINC000820187802 599557043 /nfs/dbraw/zinc/55/70/43/599557043.db2.gz SSVJLUVCZCZWLL-UHFFFAOYSA-N -1 3 380.368 3.047 20 5 GGBDHM CC(C)c1cc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)on1 ZINC000820187802 599557044 /nfs/dbraw/zinc/55/70/44/599557044.db2.gz SSVJLUVCZCZWLL-UHFFFAOYSA-N -1 3 380.368 3.047 20 5 GGBDHM O=[N+]([O-])c1ccc(CCCCNc2c(-c3nnn[n-]3)cnc3ccccc32)cc1 ZINC000823635492 599567554 /nfs/dbraw/zinc/56/75/54/599567554.db2.gz YAPDBQDZVPWZEJ-UHFFFAOYSA-N -1 3 389.419 3.180 20 5 GGBDHM O=[N+]([O-])c1ccc(CCCCNc2c(-c3nn[n-]n3)cnc3ccccc32)cc1 ZINC000823635492 599567556 /nfs/dbraw/zinc/56/75/56/599567556.db2.gz YAPDBQDZVPWZEJ-UHFFFAOYSA-N -1 3 389.419 3.180 20 5 GGBDHM CC[C@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccncc1 ZINC000820925121 599573705 /nfs/dbraw/zinc/57/37/05/599573705.db2.gz DRBJSMBKJCZANC-HNNXBMFYSA-N -1 3 376.380 3.281 20 5 GGBDHM CC[C@H](Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccncc1 ZINC000820925121 599573706 /nfs/dbraw/zinc/57/37/06/599573706.db2.gz DRBJSMBKJCZANC-HNNXBMFYSA-N -1 3 376.380 3.281 20 5 GGBDHM O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823417857 599623539 /nfs/dbraw/zinc/62/35/39/599623539.db2.gz KQJQAFGLXOTZTO-UHFFFAOYSA-N -1 3 393.281 3.151 20 5 GGBDHM O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823417857 599623540 /nfs/dbraw/zinc/62/35/40/599623540.db2.gz KQJQAFGLXOTZTO-UHFFFAOYSA-N -1 3 393.281 3.151 20 5 GGBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463613953 599627533 /nfs/dbraw/zinc/62/75/33/599627533.db2.gz MOECKOZYFRDKSN-UHFFFAOYSA-N -1 3 378.270 3.046 20 5 GGBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000463613953 599627534 /nfs/dbraw/zinc/62/75/34/599627534.db2.gz MOECKOZYFRDKSN-UHFFFAOYSA-N -1 3 378.270 3.046 20 5 GGBDHM O=C(Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000823303381 599635041 /nfs/dbraw/zinc/63/50/41/599635041.db2.gz HHBSGDZCZFUYCK-UHFFFAOYSA-N -1 3 378.270 3.046 20 5 GGBDHM O=C(Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000823303381 599635042 /nfs/dbraw/zinc/63/50/42/599635042.db2.gz HHBSGDZCZFUYCK-UHFFFAOYSA-N -1 3 378.270 3.046 20 5 GGBDHM O=C([O-])c1cc(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000738672060 599742359 /nfs/dbraw/zinc/74/23/59/599742359.db2.gz BTVOYCLVNFOZPO-LJQANCHMSA-N -1 3 397.431 3.250 20 5 GGBDHM Cc1nc([N+](=O)[O-])c(Br)n1Cc1c2ccccc2oc1C(=O)[O-] ZINC000738361098 599804984 /nfs/dbraw/zinc/80/49/84/599804984.db2.gz JLBURMFYNBHASI-UHFFFAOYSA-N -1 3 380.154 3.355 20 5 GGBDHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822227488 607399400 /nfs/dbraw/zinc/39/94/00/607399400.db2.gz KYPAUVMNMWPGMA-UHFFFAOYSA-N -1 3 382.380 3.123 20 5 GGBDHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822227488 607399402 /nfs/dbraw/zinc/39/94/02/607399402.db2.gz KYPAUVMNMWPGMA-UHFFFAOYSA-N -1 3 382.380 3.123 20 5 GGBDHM Cc1cccc(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822284756 607407801 /nfs/dbraw/zinc/40/78/01/607407801.db2.gz YWGABSKKWKCGFS-UHFFFAOYSA-N -1 3 382.380 3.123 20 5 GGBDHM Cc1cccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822284756 607407802 /nfs/dbraw/zinc/40/78/02/607407802.db2.gz YWGABSKKWKCGFS-UHFFFAOYSA-N -1 3 382.380 3.123 20 5 GGBDHM O=[N+]([O-])c1ccc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)nc1 ZINC000823644746 607466894 /nfs/dbraw/zinc/46/68/94/607466894.db2.gz LLODYGCRZLFBGJ-UHFFFAOYSA-N -1 3 380.336 3.064 20 5 GGBDHM O=[N+]([O-])c1ccc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)nc1 ZINC000823644746 607466895 /nfs/dbraw/zinc/46/68/95/607466895.db2.gz LLODYGCRZLFBGJ-UHFFFAOYSA-N -1 3 380.336 3.064 20 5 GGBDHM C[C@@H]1C[C@@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CCN1C ZINC000828184380 600817945 /nfs/dbraw/zinc/81/79/45/600817945.db2.gz PSGYVAKVYMQSLO-HIFRSBDPSA-N -1 3 397.431 3.419 20 5 GGBDHM C[C@H]1C[C@@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CCN1C ZINC000828184382 600818149 /nfs/dbraw/zinc/81/81/49/600818149.db2.gz PSGYVAKVYMQSLO-ZFWWWQNUSA-N -1 3 397.431 3.419 20 5 GGBDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000826055034 601201815 /nfs/dbraw/zinc/20/18/15/601201815.db2.gz UTMYSOAKOKAAHV-PIGZYNQJSA-N -1 3 391.811 3.238 20 5 GGBDHM O=C(C=Cc1cccc(F)c1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826401025 607525386 /nfs/dbraw/zinc/52/53/86/607525386.db2.gz NGSRZKCFSKQGOW-SNAWJCMRSA-N -1 3 388.746 3.219 20 5 GGBDHM O=C(C=Cc1cccc(F)c1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826401025 607525388 /nfs/dbraw/zinc/52/53/88/607525388.db2.gz NGSRZKCFSKQGOW-SNAWJCMRSA-N -1 3 388.746 3.219 20 5 GGBDHM O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826465917 607616382 /nfs/dbraw/zinc/61/63/82/607616382.db2.gz IMXUNKBUAYRAPW-UHFFFAOYSA-N -1 3 393.281 3.151 20 5 GGBDHM O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000826465917 607616383 /nfs/dbraw/zinc/61/63/83/607616383.db2.gz IMXUNKBUAYRAPW-UHFFFAOYSA-N -1 3 393.281 3.151 20 5 GGBDHM COc1cccc(CN2CCC(Nc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000833735784 605179232 /nfs/dbraw/zinc/17/92/32/605179232.db2.gz WDUQZBULNQRDMU-UHFFFAOYSA-N -1 3 385.420 3.378 20 5 GGBDHM O=[N+]([O-])c1cnc(N2Cc3ccccc3[C@@H](c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823650843 606136990 /nfs/dbraw/zinc/13/69/90/606136990.db2.gz CGSAHOMFARAKLV-LJQANCHMSA-N -1 3 399.414 3.322 20 5 GGBDHM O=[N+]([O-])c1cnc(N2Cc3ccccc3[C@@H](c3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823650843 606136992 /nfs/dbraw/zinc/13/69/92/606136992.db2.gz CGSAHOMFARAKLV-LJQANCHMSA-N -1 3 399.414 3.322 20 5 GGBDHM Cc1ccc(N2CCC(Oc3ccc(-c4nn[n-]n4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000822241420 606137564 /nfs/dbraw/zinc/13/75/64/606137564.db2.gz VLYBSGUARJGEGC-UHFFFAOYSA-N -1 3 380.408 3.131 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000823630100 606201023 /nfs/dbraw/zinc/20/10/23/606201023.db2.gz RMNPUNAXWNWDTM-CYBMUJFWSA-N -1 3 385.815 3.119 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000823630100 606201025 /nfs/dbraw/zinc/20/10/25/606201025.db2.gz RMNPUNAXWNWDTM-CYBMUJFWSA-N -1 3 385.815 3.119 20 5 GGBDHM C[C@H](OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820500678 606396237 /nfs/dbraw/zinc/39/62/37/606396237.db2.gz FYLBGURVDSEKDP-JTQLQIEISA-N -1 3 378.348 3.174 20 5 GGBDHM C[C@H](OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820500678 606396239 /nfs/dbraw/zinc/39/62/39/606396239.db2.gz FYLBGURVDSEKDP-JTQLQIEISA-N -1 3 378.348 3.174 20 5 GGBDHM C[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000820502794 606397457 /nfs/dbraw/zinc/39/74/57/606397457.db2.gz VVIGGNKHOIQJDF-SNVBAGLBSA-N -1 3 378.348 3.174 20 5 GGBDHM C[C@@H](OC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000820502794 606397458 /nfs/dbraw/zinc/39/74/58/606397458.db2.gz VVIGGNKHOIQJDF-SNVBAGLBSA-N -1 3 378.348 3.174 20 5 GGBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000820461314 606430027 /nfs/dbraw/zinc/43/00/27/606430027.db2.gz HDAMXASKVHZBKI-QMMMGPOBSA-N -1 3 390.201 3.106 20 5 GGBDHM C[C@H](Nc1ncc([N+](=O)[O-])cc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000820461314 606430029 /nfs/dbraw/zinc/43/00/29/606430029.db2.gz HDAMXASKVHZBKI-QMMMGPOBSA-N -1 3 390.201 3.106 20 5 GGBDHM O=[N+]([O-])c1ccc(OC(F)F)c(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000823643875 606447779 /nfs/dbraw/zinc/44/77/79/606447779.db2.gz DPKACOIRCCKDTH-UHFFFAOYSA-N -1 3 380.286 3.128 20 5 GGBDHM O=[N+]([O-])c1ccc(OC(F)F)c(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000823643875 606447781 /nfs/dbraw/zinc/44/77/81/606447781.db2.gz DPKACOIRCCKDTH-UHFFFAOYSA-N -1 3 380.286 3.128 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3c3ccccn3)cc(-c3nnn[n-]3)c2c1 ZINC000823645174 606460116 /nfs/dbraw/zinc/46/01/16/606460116.db2.gz OYWPVKJXORFAHH-KRWDZBQOSA-N -1 3 388.391 3.060 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3c3ccccn3)cc(-c3nn[n-]n3)c2c1 ZINC000823645174 606460117 /nfs/dbraw/zinc/46/01/17/606460117.db2.gz OYWPVKJXORFAHH-KRWDZBQOSA-N -1 3 388.391 3.060 20 5 GGBDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000822217760 606575379 /nfs/dbraw/zinc/57/53/79/606575379.db2.gz MVGFFLMTIABHEP-UHFFFAOYSA-N -1 3 381.396 3.140 20 5 GGBDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000822217760 606575381 /nfs/dbraw/zinc/57/53/81/606575381.db2.gz MVGFFLMTIABHEP-UHFFFAOYSA-N -1 3 381.396 3.140 20 5 GGBDHM CC[C@H](NC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820914001 606588470 /nfs/dbraw/zinc/58/84/70/606588470.db2.gz MEBQYBRPZFEIGD-INIZCTEOSA-N -1 3 398.448 3.135 20 5 GGBDHM CC[C@H](NC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000820914001 606588472 /nfs/dbraw/zinc/58/84/72/606588472.db2.gz MEBQYBRPZFEIGD-INIZCTEOSA-N -1 3 398.448 3.135 20 5 GGBDHM O=[N+]([O-])c1ccc(-c2nnc(COc3cc(Cl)ccc3-c3nnn[n-]3)o2)cc1 ZINC000823634706 606786054 /nfs/dbraw/zinc/78/60/54/606786054.db2.gz KJLSWGSJSDEJSR-UHFFFAOYSA-N -1 3 399.754 3.057 20 5 GGBDHM O=[N+]([O-])c1ccc(-c2nnc(COc3cc(Cl)ccc3-c3nn[n-]n3)o2)cc1 ZINC000823634706 606786055 /nfs/dbraw/zinc/78/60/55/606786055.db2.gz KJLSWGSJSDEJSR-UHFFFAOYSA-N -1 3 399.754 3.057 20 5 GGBDHM O=[N+]([O-])c1ccc(-c2noc(COc3cc(Cl)ccc3-c3nnn[n-]3)n2)cc1 ZINC000823634916 606786392 /nfs/dbraw/zinc/78/63/92/606786392.db2.gz OEDDLZFNBANRAW-UHFFFAOYSA-N -1 3 399.754 3.057 20 5 GGBDHM O=[N+]([O-])c1ccc(-c2noc(COc3cc(Cl)ccc3-c3nn[n-]n3)n2)cc1 ZINC000823634916 606786393 /nfs/dbraw/zinc/78/63/93/606786393.db2.gz OEDDLZFNBANRAW-UHFFFAOYSA-N -1 3 399.754 3.057 20 5 GGBDHM C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000820461539 606786789 /nfs/dbraw/zinc/78/67/89/606786789.db2.gz LTLHXKAWTLSILR-MRVPVSSYSA-N -1 3 390.201 3.106 20 5 GGBDHM C[C@@H](Nc1ncc(Br)cc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000820461539 606786790 /nfs/dbraw/zinc/78/67/90/606786790.db2.gz LTLHXKAWTLSILR-MRVPVSSYSA-N -1 3 390.201 3.106 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCOC4(CCCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823645999 607130880 /nfs/dbraw/zinc/13/08/80/607130880.db2.gz ZGECCCOVVNVHML-GFCCVEGCSA-N -1 3 395.423 3.227 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3CCOC4(CCCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823645999 607130882 /nfs/dbraw/zinc/13/08/82/607130882.db2.gz ZGECCCOVVNVHML-GFCCVEGCSA-N -1 3 395.423 3.227 20 5 GGBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000821982737 607243429 /nfs/dbraw/zinc/24/34/29/607243429.db2.gz ACGUMCVDXYFYLJ-UHFFFAOYSA-N -1 3 390.812 3.403 20 5 GGBDHM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000821982737 607243430 /nfs/dbraw/zinc/24/34/30/607243430.db2.gz ACGUMCVDXYFYLJ-UHFFFAOYSA-N -1 3 390.812 3.403 20 5 GGBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823082228 607243878 /nfs/dbraw/zinc/24/38/78/607243878.db2.gz DVDMWHMVVDXEBH-UHFFFAOYSA-N -1 3 393.190 3.263 20 5 GGBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823082228 607243879 /nfs/dbraw/zinc/24/38/79/607243879.db2.gz DVDMWHMVVDXEBH-UHFFFAOYSA-N -1 3 393.190 3.263 20 5 GGBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823319816 607244095 /nfs/dbraw/zinc/24/40/95/607244095.db2.gz YUENBACLJLHSKD-UHFFFAOYSA-N -1 3 379.163 3.334 20 5 GGBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823319816 607244096 /nfs/dbraw/zinc/24/40/96/607244096.db2.gz YUENBACLJLHSKD-UHFFFAOYSA-N -1 3 379.163 3.334 20 5 GGBDHM O=C(Oc1ccc(-c2nnn[n-]2)cc1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823449758 607244601 /nfs/dbraw/zinc/24/46/01/607244601.db2.gz BOBULIROGSMJLZ-UHFFFAOYSA-N -1 3 397.244 3.152 20 5 GGBDHM O=C(Oc1ccc(-c2nn[n-]n2)cc1F)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000823449758 607244602 /nfs/dbraw/zinc/24/46/02/607244602.db2.gz BOBULIROGSMJLZ-UHFFFAOYSA-N -1 3 397.244 3.152 20 5 GGBDHM CCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825386156 607798624 /nfs/dbraw/zinc/79/86/24/607798624.db2.gz ZMAYYJRQRBIDTR-UHFFFAOYSA-N -1 3 384.421 3.164 20 5 GGBDHM CCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825386156 607798625 /nfs/dbraw/zinc/79/86/25/607798625.db2.gz ZMAYYJRQRBIDTR-UHFFFAOYSA-N -1 3 384.421 3.164 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826497455 607811366 /nfs/dbraw/zinc/81/13/66/607811366.db2.gz HTQUPOHXCPJZHG-DYVFJYSZSA-N -1 3 380.408 3.355 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826497455 607811367 /nfs/dbraw/zinc/81/13/67/607811367.db2.gz HTQUPOHXCPJZHG-DYVFJYSZSA-N -1 3 380.408 3.355 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826497454 607811388 /nfs/dbraw/zinc/81/13/88/607811388.db2.gz HTQUPOHXCPJZHG-CXAGYDPISA-N -1 3 380.408 3.355 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000826497454 607811389 /nfs/dbraw/zinc/81/13/89/607811389.db2.gz HTQUPOHXCPJZHG-CXAGYDPISA-N -1 3 380.408 3.355 20 5 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CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000821105229 945635850 /nfs/dbraw/zinc/63/58/50/945635850.db2.gz ZWTBDOWIHBMQOL-UHFFFAOYSA-N -1 3 394.435 3.390 20 5 GGBDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000821105229 945635851 /nfs/dbraw/zinc/63/58/51/945635851.db2.gz ZWTBDOWIHBMQOL-UHFFFAOYSA-N -1 3 394.435 3.390 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3[C@@H]4c5ccccc5C[C@H]34)cc(-c3nnn[n-]3)c2c1 ZINC000823645228 946459661 /nfs/dbraw/zinc/45/96/61/946459661.db2.gz PZDZOSYKVWAIOO-WRWLIDTKSA-N -1 3 399.414 3.321 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(NC[C@H]3[C@@H]4c5ccccc5C[C@H]34)cc(-c3nn[n-]n3)c2c1 ZINC000823645228 946459671 /nfs/dbraw/zinc/45/96/71/946459671.db2.gz PZDZOSYKVWAIOO-WRWLIDTKSA-N -1 3 399.414 3.321 20 5 GGBDHM Cc1c(Cl)cnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1-c1nnn[n-]1 ZINC000826237188 947695232 /nfs/dbraw/zinc/69/52/32/947695232.db2.gz RBYZDBRWQLUTAM-UHFFFAOYSA-N -1 3 385.815 3.301 20 5 GGBDHM Cc1c(Cl)cnc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1-c1nn[n-]n1 ZINC000826237188 947695237 /nfs/dbraw/zinc/69/52/37/947695237.db2.gz RBYZDBRWQLUTAM-UHFFFAOYSA-N -1 3 385.815 3.301 20 5 GGBDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000826250090 947726352 /nfs/dbraw/zinc/72/63/52/947726352.db2.gz KPXOTRBRAAGANY-UHFFFAOYSA-N -1 3 392.297 3.354 20 5 GGBDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000826250090 947726359 /nfs/dbraw/zinc/72/63/59/947726359.db2.gz KPXOTRBRAAGANY-UHFFFAOYSA-N -1 3 392.297 3.354 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826497956 948410994 /nfs/dbraw/zinc/41/09/94/948410994.db2.gz ALINPOLJFSDVFX-MRXNPFEDSA-N -1 3 386.799 3.006 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826497956 948411001 /nfs/dbraw/zinc/41/10/01/948411001.db2.gz ALINPOLJFSDVFX-MRXNPFEDSA-N -1 3 386.799 3.006 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)c(Cl)c1 ZINC000826498762 948413786 /nfs/dbraw/zinc/41/37/86/948413786.db2.gz ITOSKMIVHLUULC-INIZCTEOSA-N -1 3 386.799 3.006 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)c(Cl)c1 ZINC000826498762 948413793 /nfs/dbraw/zinc/41/37/93/948413793.db2.gz ITOSKMIVHLUULC-INIZCTEOSA-N -1 3 386.799 3.006 20 5 GGBDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001575508971 949106836 /nfs/dbraw/zinc/10/68/36/949106836.db2.gz AIAVHYPTKDTAKU-SNVBAGLBSA-N -1 3 386.799 3.262 20 5 GGBDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001575508971 949106845 /nfs/dbraw/zinc/10/68/45/949106845.db2.gz AIAVHYPTKDTAKU-SNVBAGLBSA-N -1 3 386.799 3.262 20 5 GGBDHM CC(C)(C)O[C@@H]1C[C@H](Nc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])C12CCC2 ZINC001573863369 950477789 /nfs/dbraw/zinc/47/77/89/950477789.db2.gz FJHAISKXIZTJKU-LSDHHAIUSA-N -1 3 390.419 3.452 20 5 GGBDHM CC(C)(C)O[C@@H]1C[C@H](Nc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])C12CCC2 ZINC001573863369 950477803 /nfs/dbraw/zinc/47/78/03/950477803.db2.gz FJHAISKXIZTJKU-LSDHHAIUSA-N -1 3 390.419 3.452 20 5 GGBDHM CC1(C)C(C)(C)C1(C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC001575623808 950658271 /nfs/dbraw/zinc/65/82/71/950658271.db2.gz JYWAVEPGZAWYNU-UHFFFAOYSA-N -1 3 378.820 3.439 20 5 GGBDHM CC1(C)C(C)(C)C1(C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC001575623808 950658288 /nfs/dbraw/zinc/65/82/88/950658288.db2.gz JYWAVEPGZAWYNU-UHFFFAOYSA-N -1 3 378.820 3.439 20 5 GGBDHM CC(C)(C)c1ccc2c(c1)CCN2c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001573881731 950756691 /nfs/dbraw/zinc/75/66/91/950756691.db2.gz GHLYVZPSMZIPAR-UHFFFAOYSA-N -1 3 379.424 3.349 20 5 GGBDHM CC(C)(C)c1ccc2c(c1)CCN2c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001573881731 950756706 /nfs/dbraw/zinc/75/67/06/950756706.db2.gz GHLYVZPSMZIPAR-UHFFFAOYSA-N -1 3 379.424 3.349 20 5 GGBDHM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001575937516 950945841 /nfs/dbraw/zinc/94/58/41/950945841.db2.gz FOLADRNAYZLHDE-SECBINFHSA-N -1 3 383.339 3.183 20 5 GGBDHM C[C@@H]1CC(=O)c2c1c(F)ccc2OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001575937516 950945857 /nfs/dbraw/zinc/94/58/57/950945857.db2.gz FOLADRNAYZLHDE-SECBINFHSA-N -1 3 383.339 3.183 20 5 GGBDHM O=C([O-])c1ccccc1OCCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364246023 951140238 /nfs/dbraw/zinc/14/02/38/951140238.db2.gz RFUHCNBNRIZXNZ-UHFFFAOYSA-N -1 3 386.404 3.215 20 5 GGBDHM C[C@H](CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-])COCc1ccccc1 ZINC001575125051 952039199 /nfs/dbraw/zinc/03/91/99/952039199.db2.gz WZCCPUCBHSCTJE-GFCCVEGCSA-N -1 3 386.387 3.179 20 5 GGBDHM C[C@H](CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-])COCc1ccccc1 ZINC001575125051 952039205 /nfs/dbraw/zinc/03/92/05/952039205.db2.gz WZCCPUCBHSCTJE-GFCCVEGCSA-N -1 3 386.387 3.179 20 5 GGBDHM C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC001575133625 952105917 /nfs/dbraw/zinc/10/59/17/952105917.db2.gz FQIGNCZLALBZKK-SECBINFHSA-N -1 3 396.436 3.182 20 5 GGBDHM C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC001575133625 952105922 /nfs/dbraw/zinc/10/59/22/952105922.db2.gz FQIGNCZLALBZKK-SECBINFHSA-N -1 3 396.436 3.182 20 5 GGBDHM O=C([O-])[C@@H](Cc1ccccc1)NCc1cccc([N+](=O)[O-])c1Br ZINC001595159110 952186690 /nfs/dbraw/zinc/18/66/90/952186690.db2.gz HWXSNMUZCXPBNN-CYBMUJFWSA-N -1 3 379.210 3.143 20 5 GGBDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001575189677 952457139 /nfs/dbraw/zinc/45/71/39/952457139.db2.gz PKPHTXJQXPRDDG-STQMWFEESA-N -1 3 381.392 3.258 20 5 GGBDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001575189677 952457141 /nfs/dbraw/zinc/45/71/41/952457141.db2.gz PKPHTXJQXPRDDG-STQMWFEESA-N -1 3 381.392 3.258 20 5 GGBDHM C[C@H](Cc1cn(C)c2ccc(F)cc12)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001575202444 952512725 /nfs/dbraw/zinc/51/27/25/952512725.db2.gz NZDRBKQEQCGGBA-LLVKDONJSA-N -1 3 395.398 3.449 20 5 GGBDHM C[C@H](Cc1cn(C)c2ccc(F)cc12)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001575202444 952512732 /nfs/dbraw/zinc/51/27/32/952512732.db2.gz NZDRBKQEQCGGBA-LLVKDONJSA-N -1 3 395.398 3.449 20 5 GGBDHM C[C@@H](Cc1cn(C)c2ccc(F)cc12)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001575202453 952513647 /nfs/dbraw/zinc/51/36/47/952513647.db2.gz NZDRBKQEQCGGBA-NSHDSACASA-N -1 3 395.398 3.449 20 5 GGBDHM C[C@@H](Cc1cn(C)c2ccc(F)cc12)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001575202453 952513650 /nfs/dbraw/zinc/51/36/50/952513650.db2.gz NZDRBKQEQCGGBA-NSHDSACASA-N -1 3 395.398 3.449 20 5 GGBDHM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000568074577 953641963 /nfs/dbraw/zinc/64/19/63/953641963.db2.gz MQRHOYOSBFBUAL-YJYMSZOUSA-N -1 3 380.441 3.325 20 5 GGBDHM O=C([O-])C1CC2(C1)CC[C@@H](CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])O2 ZINC001594904325 954661060 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VERXPHLYZOENQW-AWEZNQCLSA-N -1 3 379.210 3.143 20 5 GGBDHM COC[C@@H](NCc1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000417630800 973967257 /nfs/dbraw/zinc/96/72/57/973967257.db2.gz ROUZRNSBAOGYEZ-OAHLLOKOSA-N -1 3 376.434 3.244 20 5 GGBDHM C[C@H](c1ccncc1)N1CCC(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000515302530 974297221 /nfs/dbraw/zinc/29/72/21/974297221.db2.gz XCMAYVYHZHGFJB-CQSZACIVSA-N -1 3 384.436 3.254 20 5 GGBDHM O=C([O-])c1cnc(NC[C@H]2CCCN(Cc3cccs3)C2)c([N+](=O)[O-])c1 ZINC000563205018 974519576 /nfs/dbraw/zinc/51/95/76/974519576.db2.gz CYVIIPVIEPRXAK-GFCCVEGCSA-N -1 3 376.438 3.074 20 5 GGBDHM CN(C)[C@@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000563536697 974535064 /nfs/dbraw/zinc/53/50/64/974535064.db2.gz DIOTZWRNEAVVHM-AWEZNQCLSA-N -1 3 398.341 3.422 20 5 GGBDHM CN(C)[C@H](CNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000563536698 974535072 /nfs/dbraw/zinc/53/50/72/974535072.db2.gz DIOTZWRNEAVVHM-CQSZACIVSA-N -1 3 398.341 3.422 20 5 GGBDHM CSc1ccc([C@@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])N(C)C)cc1 ZINC000568516931 974672208 /nfs/dbraw/zinc/67/22/08/974672208.db2.gz TXIIEJXSEDXRFR-OAHLLOKOSA-N -1 3 376.438 3.125 20 5 GGBDHM Cc1cc(NC[C@H]2CN(Cc3ccccc3)CCCO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568986932 974681514 /nfs/dbraw/zinc/68/15/14/974681514.db2.gz RSRHYJJIHYLIIF-KRWDZBQOSA-N -1 3 399.447 3.304 20 5 GGBDHM O=C([O-])CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCCO1 ZINC000584356500 974954462 /nfs/dbraw/zinc/95/44/62/974954462.db2.gz PPPVZSWMCNRXRW-CYBMUJFWSA-N -1 3 376.331 3.069 20 5 GGBDHM O=C([O-])c1cnc(C2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000600675789 975006234 /nfs/dbraw/zinc/00/62/34/975006234.db2.gz NXJIWQGASVCNJI-UHFFFAOYSA-N -1 3 391.449 3.398 20 5 GGBDHM CO[C@H]1CCN(Cc2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000902031712 980703374 /nfs/dbraw/zinc/70/33/74/980703374.db2.gz LFBQMHRQBZTIOE-PXNSSMCTSA-N -1 3 399.447 3.427 20 5 GGBDHM 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378.303 3.231 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1csc(C(C)(C)C)n1 ZINC000130102078 564669806 /nfs/dbraw/zinc/66/98/06/564669806.db2.gz WMCDFZBALMUQEW-UHFFFAOYSA-N -1 3 383.495 3.178 20 5 GGBDHM O=C([N-]c1sc2c(c1C(=O)NC1CC1)CCC2)c1ccc([N+](=O)[O-])s1 ZINC000065067581 564738672 /nfs/dbraw/zinc/73/86/72/564738672.db2.gz CEZMKGALLLPSHH-UHFFFAOYSA-N -1 3 377.447 3.351 20 5 GGBDHM O=C([N-]c1cc(Br)ccc1-n1cccn1)c1ccc([N+](=O)[O-])o1 ZINC000066788647 564775533 /nfs/dbraw/zinc/77/55/33/564775533.db2.gz AXESZFOHIGXIGU-UHFFFAOYSA-N -1 3 377.154 3.388 20 5 GGBDHM COc1cc(OCC(=O)Nc2ccc(Br)cc2[O-])ccc1[N+](=O)[O-] ZINC000068858641 564828810 /nfs/dbraw/zinc/82/88/10/564828810.db2.gz PJTPVCXDJNIGHU-UHFFFAOYSA-N -1 3 397.181 3.089 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000151396150 564918029 /nfs/dbraw/zinc/91/80/29/564918029.db2.gz JUTPLHJABYNOOJ-UHFFFAOYSA-N -1 3 396.197 3.393 20 5 GGBDHM Cc1c(Br)cc(C(=O)[N-]c2nc3ccc(F)cn3n2)cc1[N+](=O)[O-] ZINC000152964961 564979103 /nfs/dbraw/zinc/97/91/03/564979103.db2.gz OJBSMZJGFJGDTB-UHFFFAOYSA-N -1 3 394.160 3.100 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)c(Cl)c1 ZINC000153667911 565005742 /nfs/dbraw/zinc/00/57/42/565005742.db2.gz HZUGUBMFAZSJRW-UHFFFAOYSA-N -1 3 399.837 3.443 20 5 GGBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000108759243 565016251 /nfs/dbraw/zinc/01/62/51/565016251.db2.gz FQONSTHOQHVQPH-UHFFFAOYSA-N -1 3 375.175 3.297 20 5 GGBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000108759258 565016469 /nfs/dbraw/zinc/01/64/69/565016469.db2.gz HWXZQUQTQGVIIA-UHFFFAOYSA-N -1 3 393.165 3.436 20 5 GGBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)Cc2c(F)cccc2F)c(Cl)c1 ZINC000184251861 565122858 /nfs/dbraw/zinc/12/28/58/565122858.db2.gz SDSJINSGCWEHRQ-UHFFFAOYSA-N -1 3 376.768 3.146 20 5 GGBDHM O=C([N-]c1cccnc1-n1cccn1)c1sc(Br)cc1[N+](=O)[O-] ZINC000370493187 565145465 /nfs/dbraw/zinc/14/54/65/565145465.db2.gz VLZBKICTJLXABT-UHFFFAOYSA-N -1 3 394.210 3.252 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CO[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1cccc(Cl)c1 ZINC000467068243 566622118 /nfs/dbraw/zinc/62/21/18/566622118.db2.gz JQTIPDMBNYPWAC-ZDUSSCGKSA-N -1 3 390.870 3.284 20 5 GGBDHM CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1cccc(Cl)c1 ZINC000467068242 566622578 /nfs/dbraw/zinc/62/25/78/566622578.db2.gz JQTIPDMBNYPWAC-CYBMUJFWSA-N -1 3 390.870 3.284 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCCCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000467064417 566622877 /nfs/dbraw/zinc/62/28/77/566622877.db2.gz MSPFLENQAMTTGT-UHFFFAOYSA-N -1 3 392.499 3.145 20 5 GGBDHM CO[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccc(Cl)cc1 ZINC000467069427 566622972 /nfs/dbraw/zinc/62/29/72/566622972.db2.gz QVWYIWSLNLIQDN-CYBMUJFWSA-N -1 3 390.870 3.284 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3F)CC2)cc1[N+](=O)[O-] ZINC000467059839 566623208 /nfs/dbraw/zinc/62/32/08/566623208.db2.gz NMUWZQXVOHPJMF-UHFFFAOYSA-N -1 3 388.417 3.253 20 5 GGBDHM CC[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)Oc1ccccc1F 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C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000515758845 566732300 /nfs/dbraw/zinc/73/23/00/566732300.db2.gz RKPHBCMMTIWMTG-RISCZKNCSA-N -1 3 376.862 3.122 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000515762959 566732865 /nfs/dbraw/zinc/73/28/65/566732865.db2.gz ZCUJJHWIJIHZPW-UHFFFAOYSA-N -1 3 378.431 3.297 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCc2sc(Cl)cc21 ZINC000580922214 566734484 /nfs/dbraw/zinc/73/44/84/566734484.db2.gz ICXSBXYRXWVYGR-SNVBAGLBSA-N -1 3 388.854 3.284 20 5 GGBDHM COc1ccccc1C(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000488666605 566739752 /nfs/dbraw/zinc/73/97/52/566739752.db2.gz BTXCMUOPNBOXBI-UHFFFAOYSA-N -1 3 384.841 3.470 20 5 GGBDHM COc1ccc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000515925621 566739918 /nfs/dbraw/zinc/73/99/18/566739918.db2.gz DTYXEHRVKHQINZ-UHFFFAOYSA-N -1 3 384.841 3.168 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CC2)c(F)c1 ZINC000608982080 566744306 /nfs/dbraw/zinc/74/43/06/566744306.db2.gz ZBFOIINQTIZNKT-UHFFFAOYSA-N -1 3 384.816 3.397 20 5 GGBDHM O=C(Nc1ccc(Br)cc1[O-])c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608958098 566745163 /nfs/dbraw/zinc/74/51/63/566745163.db2.gz IWORATWRNXIVLY-UHFFFAOYSA-N -1 3 395.165 3.086 20 5 GGBDHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1C ZINC000581095465 566749356 /nfs/dbraw/zinc/74/93/56/566749356.db2.gz PGMIVVQFRVMBEI-UHFFFAOYSA-N -1 3 386.813 3.375 20 5 GGBDHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000609134412 566750117 /nfs/dbraw/zinc/75/01/17/566750117.db2.gz JKTQHQMDLUCYAE-UHFFFAOYSA-N -1 3 378.303 3.231 20 5 GGBDHM CC1([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCCCC1 ZINC000609418516 566763458 /nfs/dbraw/zinc/76/34/58/566763458.db2.gz TYOGYCBUCHQLID-UHFFFAOYSA-N -1 3 377.260 3.358 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCc1cccc(Br)c1 ZINC000609419682 566763990 /nfs/dbraw/zinc/76/39/90/566763990.db2.gz LURKIMHCBJALJJ-UHFFFAOYSA-N -1 3 399.266 3.268 20 5 GGBDHM COc1ccc(NC(=O)NCc2ccc([O-])c(Br)c2)cc1[N+](=O)[O-] ZINC000542028185 566770836 /nfs/dbraw/zinc/77/08/36/566770836.db2.gz CQACXERTKFHHMM-UHFFFAOYSA-N -1 3 396.197 3.393 20 5 GGBDHM O=C(Nc1cc(Br)ccc1[O-])c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489178143 566773830 /nfs/dbraw/zinc/77/38/30/566773830.db2.gz UTTGZFFAKUCDSV-UHFFFAOYSA-N -1 3 381.138 3.044 20 5 GGBDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1 ZINC000609633118 566778901 /nfs/dbraw/zinc/77/89/01/566778901.db2.gz ZOQKDHXCUNOMFI-UHFFFAOYSA-N -1 3 384.841 3.384 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000610136861 566810131 /nfs/dbraw/zinc/81/01/31/566810131.db2.gz GYMKYVRCWRDYOV-UHFFFAOYSA-N -1 3 382.825 3.224 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2Cl)c(F)c1 ZINC000610135001 566810487 /nfs/dbraw/zinc/81/04/87/566810487.db2.gz IJPWWFUCYPQQJG-ZANVPECISA-N -1 3 388.779 3.361 20 5 GGBDHM COc1cc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000489991381 566821269 /nfs/dbraw/zinc/82/12/69/566821269.db2.gz HPSRTFWKOJKPLV-LLVKDONJSA-N -1 3 378.397 3.097 20 5 GGBDHM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000428254622 566826634 /nfs/dbraw/zinc/82/66/34/566826634.db2.gz HLPIGHANSRIXNL-UHFFFAOYSA-N -1 3 379.785 3.063 20 5 GGBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000517601453 566833554 /nfs/dbraw/zinc/83/35/54/566833554.db2.gz GQSIDHBPLZNHOR-UHFFFAOYSA-N -1 3 391.232 3.259 20 5 GGBDHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000490436357 566850991 /nfs/dbraw/zinc/85/09/91/566850991.db2.gz FYLAMGWTNFUKFS-UHFFFAOYSA-N -1 3 384.841 3.470 20 5 GGBDHM CO[C@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccccc1Cl ZINC000610786522 566864179 /nfs/dbraw/zinc/86/41/79/566864179.db2.gz BPYCJTGZCWZUQG-OAHLLOKOSA-N -1 3 384.841 3.223 20 5 GGBDHM CC[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(C)(C)C ZINC000518211873 566872059 /nfs/dbraw/zinc/87/20/59/566872059.db2.gz KEJDRZSZXSFYKO-LBPRGKRZSA-N -1 3 379.276 3.460 20 5 GGBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000518318542 566877858 /nfs/dbraw/zinc/87/78/58/566877858.db2.gz HZGPZSNYMSMOHJ-UHFFFAOYSA-N -1 3 391.232 3.259 20 5 GGBDHM C[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658825 566898269 /nfs/dbraw/zinc/89/82/69/566898269.db2.gz UILINFKHJKYDMH-LBPRGKRZSA-N -1 3 389.905 3.037 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]CCc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000470777325 566903445 /nfs/dbraw/zinc/90/34/45/566903445.db2.gz UILXZNCOFBHIHR-UHFFFAOYSA-N -1 3 377.447 3.034 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1nc2ccccc2s1 ZINC000470773192 566903616 /nfs/dbraw/zinc/90/36/16/566903616.db2.gz NOFXRLCVXFTUIN-UHFFFAOYSA-N -1 3 397.865 3.379 20 5 GGBDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)cc1[N+](=O)[O-] ZINC000491571544 566910250 /nfs/dbraw/zinc/91/02/50/566910250.db2.gz FLUQKAKTAFHZCF-UHFFFAOYSA-N -1 3 384.797 3.395 20 5 GGBDHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491613442 566913792 /nfs/dbraw/zinc/91/37/92/566913792.db2.gz REMYLOUOVBDBSL-JSGCOSHPSA-N -1 3 392.474 3.085 20 5 GGBDHM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nn2cnnc2s1 ZINC000611480345 566919950 /nfs/dbraw/zinc/91/99/50/566919950.db2.gz RDBBFYLEROWJTB-UHFFFAOYSA-N -1 3 378.439 3.239 20 5 GGBDHM O=C(COc1ccsc1Cl)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000493302844 566946020 /nfs/dbraw/zinc/94/60/20/566946020.db2.gz JATKPPYRZBJMTN-UHFFFAOYSA-N -1 3 378.797 3.139 20 5 GGBDHM CCCCC[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000493635074 566952514 /nfs/dbraw/zinc/95/25/14/566952514.db2.gz LPGPLVHUZQFQHE-UHFFFAOYSA-N -1 3 395.275 3.143 20 5 GGBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000429836098 566955757 /nfs/dbraw/zinc/95/57/57/566955757.db2.gz FXGVIZKORCTUOW-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000429844856 566956695 /nfs/dbraw/zinc/95/66/95/566956695.db2.gz JFVUKCSRTDFWBB-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncc(OC)cc1Br ZINC000519732188 566963796 /nfs/dbraw/zinc/96/37/96/566963796.db2.gz VIVOFMRDQFSBKX-UHFFFAOYSA-N -1 3 396.197 3.412 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c(Br)c1 ZINC000429907745 566966054 /nfs/dbraw/zinc/96/60/54/566966054.db2.gz CTYBHTRPPJVBJI-QMMMGPOBSA-N -1 3 399.213 3.071 20 5 GGBDHM COC(=O)c1ccsc1[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000430050440 566980250 /nfs/dbraw/zinc/98/02/50/566980250.db2.gz JUTUXVOZQBHFDF-UHFFFAOYSA-N -1 3 385.195 3.458 20 5 GGBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000520496962 567008110 /nfs/dbraw/zinc/00/81/10/567008110.db2.gz CGHXYFNQHKNWGR-UHFFFAOYSA-N -1 3 379.825 3.468 20 5 GGBDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000545219313 567030986 /nfs/dbraw/zinc/03/09/86/567030986.db2.gz VXPHYECSZSSSEJ-UHFFFAOYSA-N -1 3 384.797 3.144 20 5 GGBDHM COc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000584361710 567036324 /nfs/dbraw/zinc/03/63/24/567036324.db2.gz ARWVJDFROCSVLC-GXTWGEPZSA-N -1 3 382.825 3.091 20 5 GGBDHM CC(C)([N-]S(=O)(=O)c1ccc(Br)o1)c1ccc([N+](=O)[O-])cc1 ZINC000545364732 567043211 /nfs/dbraw/zinc/04/32/11/567043211.db2.gz SDJMWNGOIALSHE-UHFFFAOYSA-N -1 3 389.227 3.164 20 5 GGBDHM COc1cc(Cl)ccc1C[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000521688712 567074399 /nfs/dbraw/zinc/07/43/99/567074399.db2.gz GWMMNFDWYJYJRL-UHFFFAOYSA-N -1 3 384.841 3.352 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCOc2ccccc21 ZINC000521775045 567079411 /nfs/dbraw/zinc/07/94/11/567079411.db2.gz PZVGDGZKDSMJCS-NSHDSACASA-N -1 3 382.825 3.093 20 5 GGBDHM CN(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000473921842 567116244 /nfs/dbraw/zinc/11/62/44/567116244.db2.gz WVMQFDHOYPDBPS-OAHLLOKOSA-N -1 3 389.905 3.037 20 5 GGBDHM COc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000431924558 567116794 /nfs/dbraw/zinc/11/67/94/567116794.db2.gz QHAPQYPXMJTZSY-UHFFFAOYSA-N -1 3 384.841 3.470 20 5 GGBDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000522439308 567118268 /nfs/dbraw/zinc/11/82/68/567118268.db2.gz OODNBBAEDYTTEI-UHFFFAOYSA-N -1 3 384.797 3.144 20 5 GGBDHM COc1cc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1C ZINC000588856925 567141304 /nfs/dbraw/zinc/14/13/04/567141304.db2.gz ALHBDFAHLULKRQ-UHFFFAOYSA-N -1 3 386.813 3.375 20 5 GGBDHM COC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cccc(Cl)c1 ZINC000588910361 567144510 /nfs/dbraw/zinc/14/45/10/567144510.db2.gz YMEYCUKGVLDEDN-OAHLLOKOSA-N -1 3 384.841 3.223 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCc2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000546649101 567146240 /nfs/dbraw/zinc/14/62/40/567146240.db2.gz WUFXAFQKPVBZCC-UHFFFAOYSA-N -1 3 384.479 3.273 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000589230143 567168257 /nfs/dbraw/zinc/16/82/57/567168257.db2.gz SOXDIACNHCEZAA-OAHLLOKOSA-N -1 3 384.479 3.003 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc2sccc2c1 ZINC000589235161 567170076 /nfs/dbraw/zinc/17/00/76/567170076.db2.gz NHKFMCOCMSAJGK-UHFFFAOYSA-N -1 3 378.431 3.297 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2F)c(Cl)c1 ZINC000523864292 567174579 /nfs/dbraw/zinc/17/45/79/567174579.db2.gz LSGIZXLZQFXWGS-TVQRCGJNSA-N -1 3 388.779 3.361 20 5 GGBDHM O=[N+]([O-])c1ccc(-c2nc(-c3ccc4n[n-]nc4c3)no2)c(Br)c1 ZINC000589820926 567193424 /nfs/dbraw/zinc/19/34/24/567193424.db2.gz HCGIWUKSHJKRBY-UHFFFAOYSA-N -1 3 387.153 3.346 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1cc(Cl)ccc1OC(F)F ZINC000525307542 567242228 /nfs/dbraw/zinc/24/22/28/567242228.db2.gz RXDXENWDCHJGCK-UHFFFAOYSA-N -1 3 392.767 3.328 20 5 GGBDHM COc1c(C(=O)NCc2ccc([O-])c(Br)c2)cccc1[N+](=O)[O-] ZINC000476379361 567319091 /nfs/dbraw/zinc/31/90/91/567319091.db2.gz XLYCPMHSGSVCPN-UHFFFAOYSA-N -1 3 381.182 3.002 20 5 GGBDHM C[C@H](C(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000592646854 567352815 /nfs/dbraw/zinc/35/28/15/567352815.db2.gz OZCHBEFXKSPVOP-QMMMGPOBSA-N -1 3 376.722 3.171 20 5 GGBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(c3nccs3)CCCC2)cc1C ZINC000568807937 567357446 /nfs/dbraw/zinc/35/74/46/567357446.db2.gz UIGJVDOGSMPZQF-UHFFFAOYSA-N -1 3 381.479 3.416 20 5 GGBDHM CCOc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000435427029 567362661 /nfs/dbraw/zinc/36/26/61/567362661.db2.gz KUJKSUCGBOYEKW-UONOGXRCSA-N -1 3 382.463 3.198 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1c(F)cccc1F ZINC000435440207 567368001 /nfs/dbraw/zinc/36/80/01/567368001.db2.gz UPZPUYMZAVIPSO-BXKDBHETSA-N -1 3 388.779 3.361 20 5 GGBDHM C[N-]S(=O)(=O)c1ccc(CNc2c(C)cc([N+](=O)[O-])cc2Cl)s1 ZINC000618339307 567373251 /nfs/dbraw/zinc/37/32/51/567373251.db2.gz WXVGYNRQKGAZGS-UHFFFAOYSA-N -1 3 375.859 3.138 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)cc1[N+](=O)[O-] ZINC000435583684 567375331 /nfs/dbraw/zinc/37/53/31/567375331.db2.gz HQBMRXZVNDLAAU-MJHDQNEOSA-N -1 3 388.417 3.467 20 5 GGBDHM O=C([N-]c1nc(-c2ccccc2)c(Br)s1)c1c[nH]nc1[N+](=O)[O-] ZINC000549216712 567379567 /nfs/dbraw/zinc/37/95/67/567379567.db2.gz OLJUYGNUNUWFEF-UHFFFAOYSA-N -1 3 394.210 3.456 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCN2C2CCCCC2)cc1[N+](=O)[O-] ZINC000435632444 567381596 /nfs/dbraw/zinc/38/15/96/567381596.db2.gz OJRGFIRCLAFZDU-AWEZNQCLSA-N -1 3 387.527 3.040 20 5 GGBDHM Cc1cc(Br)cc(C)c1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000477266381 567384637 /nfs/dbraw/zinc/38/46/37/567384637.db2.gz NPMQSCTYHWGFGR-UHFFFAOYSA-N -1 3 399.266 3.453 20 5 GGBDHM COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Br)c1[O-] ZINC000436800047 567453042 /nfs/dbraw/zinc/45/30/42/567453042.db2.gz HJDRWPFBOAWLMF-UHFFFAOYSA-N -1 3 395.165 3.102 20 5 GGBDHM COC(=O)c1cccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1[O-] ZINC000436806493 567454173 /nfs/dbraw/zinc/45/41/73/567454173.db2.gz VXZJUOPAKNTTKN-UHFFFAOYSA-N -1 3 395.165 3.102 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1ccc(C)cc1SC ZINC000619490485 567459118 /nfs/dbraw/zinc/45/91/18/567459118.db2.gz JGMAYJASMJSDAC-UHFFFAOYSA-N -1 3 382.463 3.112 20 5 GGBDHM O=[N+]([O-])c1cccc2ncnc(NCc3ccc([O-])c(Br)c3)c21 ZINC000436889692 567464652 /nfs/dbraw/zinc/46/46/52/567464652.db2.gz YZDDSEGHOVOLLH-UHFFFAOYSA-N -1 3 375.182 3.040 20 5 GGBDHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000478768040 567481846 /nfs/dbraw/zinc/48/18/46/567481846.db2.gz NTJJLOOSUPUDBB-KBPBESRZSA-N -1 3 376.862 3.120 20 5 GGBDHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000478786039 567484660 /nfs/dbraw/zinc/48/46/60/567484660.db2.gz ZDRBYBVYYGDOSR-JSGCOSHPSA-N -1 3 376.862 3.120 20 5 GGBDHM CCOc1ccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1Cl ZINC000551201814 567486637 /nfs/dbraw/zinc/48/66/37/567486637.db2.gz PNWNXQQFRZSGPD-UHFFFAOYSA-N -1 3 384.841 3.434 20 5 GGBDHM CSCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000478905931 567489523 /nfs/dbraw/zinc/48/95/23/567489523.db2.gz WUJPIORYNIJZRX-UHFFFAOYSA-N -1 3 397.316 3.169 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000437333613 567493398 /nfs/dbraw/zinc/49/33/98/567493398.db2.gz RUHDUPJJXHUXEM-ZJUUUORDSA-N -1 3 384.351 3.381 20 5 GGBDHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000437725014 567506647 /nfs/dbraw/zinc/50/66/47/567506647.db2.gz UWIXPGYXRSWYHP-SECBINFHSA-N -1 3 397.316 3.167 20 5 GGBDHM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594755386 567508326 /nfs/dbraw/zinc/50/83/26/567508326.db2.gz XACTXKJSWGFWGG-NWDGAFQWSA-N -1 3 381.479 3.096 20 5 GGBDHM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594762002 567509543 /nfs/dbraw/zinc/50/95/43/567509543.db2.gz TTYCKUSJBNCZHL-ZIAGYGMSSA-N -1 3 381.479 3.096 20 5 GGBDHM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594762000 567509728 /nfs/dbraw/zinc/50/97/28/567509728.db2.gz TTYCKUSJBNCZHL-UONOGXRCSA-N -1 3 381.479 3.096 20 5 GGBDHM CS[C@@H](C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(C)(C)C ZINC000594773307 567510864 /nfs/dbraw/zinc/51/08/64/567510864.db2.gz QIOFNBCYOMYQFR-AWEZNQCLSA-N -1 3 383.495 3.199 20 5 GGBDHM CC(C)(C)OCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000594848957 567519835 /nfs/dbraw/zinc/51/98/35/567519835.db2.gz HHDNXZXQQYTDQH-UHFFFAOYSA-N -1 3 384.376 3.097 20 5 GGBDHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000438249520 567525477 /nfs/dbraw/zinc/52/54/77/567525477.db2.gz CWJWXEUMTFYQNL-UHFFFAOYSA-N -1 3 383.857 3.153 20 5 GGBDHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000479383305 567530367 /nfs/dbraw/zinc/53/03/67/567530367.db2.gz YUSOASDOYCBEHG-HZMBPMFUSA-N -1 3 376.862 3.120 20 5 GGBDHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000479420996 567534735 /nfs/dbraw/zinc/53/47/35/567534735.db2.gz JKQSSQONRHERBJ-BXUZGUMPSA-N -1 3 376.862 3.120 20 5 GGBDHM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)o1 ZINC000480076482 567578480 /nfs/dbraw/zinc/57/84/80/567578480.db2.gz XHBYFRJOZQZIIA-CYBMUJFWSA-N -1 3 388.829 3.206 20 5 GGBDHM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(C)o1 ZINC000480076483 567579284 /nfs/dbraw/zinc/57/92/84/567579284.db2.gz XHBYFRJOZQZIIA-ZDUSSCGKSA-N -1 3 388.829 3.206 20 5 GGBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc([O-])c3Br)C2)nc1 ZINC000459337612 567616669 /nfs/dbraw/zinc/61/66/69/567616669.db2.gz FKPFKJGSAHPTSE-GFCCVEGCSA-N -1 3 393.241 3.144 20 5 GGBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc([O-])c3Br)C2)nc1 ZINC000459337614 567617057 /nfs/dbraw/zinc/61/70/57/567617057.db2.gz FKPFKJGSAHPTSE-LBPRGKRZSA-N -1 3 393.241 3.144 20 5 GGBDHM O=[N+]([O-])c1ccn(C2CCN(Cc3cccc([O-])c3Br)CC2)n1 ZINC000459518734 567632458 /nfs/dbraw/zinc/63/24/58/567632458.db2.gz PBUFPLAVVCHOCU-UHFFFAOYSA-N -1 3 381.230 3.097 20 5 GGBDHM NC(=O)[C@@H]([N-]c1c(F)cc([N+](=O)[O-])cc1F)c1cccc(Br)c1 ZINC000440592545 567634245 /nfs/dbraw/zinc/63/42/45/567634245.db2.gz GWJNAEQJDZTWIG-LBPRGKRZSA-N -1 3 386.152 3.274 20 5 GGBDHM Cc1[nH]nc(C(=O)[N-]c2nc3c(cccc3Br)s2)c1[N+](=O)[O-] ZINC000553408679 567651123 /nfs/dbraw/zinc/65/11/23/567651123.db2.gz QNCNGCGYVLMWIS-UHFFFAOYSA-N -1 3 382.199 3.251 20 5 GGBDHM COc1ccc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1Cl ZINC000481078455 567657138 /nfs/dbraw/zinc/65/71/38/567657138.db2.gz GQLWDIWWESAFBJ-UHFFFAOYSA-N -1 3 384.841 3.352 20 5 GGBDHM COc1cc(C(=O)Nc2cc(Br)ccc2[O-])cc([N+](=O)[O-])c1OC ZINC000531492549 567663432 /nfs/dbraw/zinc/66/34/32/567663432.db2.gz GYYAIZAZQKJFSD-UHFFFAOYSA-N -1 3 397.181 3.332 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCSC2)c(C(F)(F)F)c1 ZINC000553569716 567666989 /nfs/dbraw/zinc/66/69/89/567666989.db2.gz AKMAPBGJUVWYQX-SECBINFHSA-N -1 3 384.401 3.035 20 5 GGBDHM C[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000507276650 567673158 /nfs/dbraw/zinc/67/31/58/567673158.db2.gz GFGFHSJHULWGAM-GFCCVEGCSA-N -1 3 389.905 3.037 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]CCSCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000507436211 567678915 /nfs/dbraw/zinc/67/89/15/567678915.db2.gz NSSIERYWDXVMSF-UHFFFAOYSA-N -1 3 384.454 3.254 20 5 GGBDHM C[C@H](Cc1ccccc1Br)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000532107645 567697238 /nfs/dbraw/zinc/69/72/38/567697238.db2.gz QQPZQZBPYAVLCG-LLVKDONJSA-N -1 3 399.266 3.267 20 5 GGBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)c(Cl)c1 ZINC000442768806 567708544 /nfs/dbraw/zinc/70/85/44/567708544.db2.gz MGKQRMJFUABBGL-UHFFFAOYSA-N -1 3 395.746 3.141 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]Cc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000507976918 567719556 /nfs/dbraw/zinc/71/95/56/567719556.db2.gz YRVLKZXNHKUCFC-UHFFFAOYSA-N -1 3 385.239 3.144 20 5 GGBDHM O=C(NCc1ccc([O-])c(Br)c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000532696088 567729085 /nfs/dbraw/zinc/72/90/85/567729085.db2.gz XHABXPWAENTZQH-UHFFFAOYSA-N -1 3 390.193 3.474 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccs2)C(C)(C)CO)c([N+](=O)[O-])c1 ZINC000554907874 567755486 /nfs/dbraw/zinc/75/54/86/567755486.db2.gz JRAGOFIEFQIXKC-HNNXBMFYSA-N -1 3 384.479 3.003 20 5 GGBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462073940 567766397 /nfs/dbraw/zinc/76/63/97/567766397.db2.gz KMNKMLWUYHQFED-UHFFFAOYSA-N -1 3 380.369 3.196 20 5 GGBDHM O=[N+]([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000555677347 567794328 /nfs/dbraw/zinc/79/43/28/567794328.db2.gz KPLVABLDXNPNSV-UHFFFAOYSA-N -1 3 391.232 3.259 20 5 GGBDHM COCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000574730150 567794354 /nfs/dbraw/zinc/79/43/54/567794354.db2.gz YDQMMVKVKDQHTN-UHFFFAOYSA-N -1 3 376.862 3.123 20 5 GGBDHM COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c([N+](=O)[O-])cc1[O-] ZINC000012556317 570859580 /nfs/dbraw/zinc/85/95/80/570859580.db2.gz PIGPWDQEVKSTND-BUXKBTBVSA-N -1 3 399.403 3.055 20 5 GGBDHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1[O-] ZINC000012556318 570859601 /nfs/dbraw/zinc/85/96/01/570859601.db2.gz PIGPWDQEVKSTND-CWTRNNRKSA-N -1 3 399.403 3.055 20 5 GGBDHM O=[N+]([O-])c1cnc(Sc2ccc(Br)cc2)c(-c2nnn[n-]2)c1 ZINC000823651207 599390331 /nfs/dbraw/zinc/39/03/31/599390331.db2.gz ILMBVLBNXFRMRA-UHFFFAOYSA-N -1 3 379.199 3.084 20 5 GGBDHM Cc1ccc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)C2)cc1 ZINC000822242599 599065065 /nfs/dbraw/zinc/06/50/65/599065065.db2.gz QSJRYJNVZOPCEO-CQSZACIVSA-N -1 3 379.424 3.164 20 5 GGBDHM Cc1ccc(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)C2)cc1 ZINC000822242599 599065068 /nfs/dbraw/zinc/06/50/68/599065068.db2.gz QSJRYJNVZOPCEO-CQSZACIVSA-N -1 3 379.424 3.164 20 5 GGBDHM O=[N+]([O-])c1ccc(OCCCSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000738367353 599067046 /nfs/dbraw/zinc/06/70/46/599067046.db2.gz RJHGHJOCGXFVOL-UHFFFAOYSA-N -1 3 375.385 3.475 20 5 GGBDHM O=[N+]([O-])c1ccc(OCCCSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000738367353 599067049 /nfs/dbraw/zinc/06/70/49/599067049.db2.gz RJHGHJOCGXFVOL-UHFFFAOYSA-N -1 3 375.385 3.475 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CC[C@@H](CSc2ccccc2)C1 ZINC000823629605 599088343 /nfs/dbraw/zinc/08/83/43/599088343.db2.gz BMHQQSVTTYVNGZ-CYBMUJFWSA-N -1 3 382.449 3.394 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CC[C@@H](CSc2ccccc2)C1 ZINC000823629605 599088346 /nfs/dbraw/zinc/08/83/46/599088346.db2.gz BMHQQSVTTYVNGZ-CYBMUJFWSA-N -1 3 382.449 3.394 20 5 GGBDHM CC(C)OC(=O)NCc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000735895320 599205208 /nfs/dbraw/zinc/20/52/08/599205208.db2.gz UNXMMXQQRDCUJS-UHFFFAOYSA-N -1 3 397.395 3.153 20 5 GGBDHM CC(C)OC(=O)NCc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC000735895320 599205210 /nfs/dbraw/zinc/20/52/10/599205210.db2.gz UNXMMXQQRDCUJS-UHFFFAOYSA-N -1 3 397.395 3.153 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000738368868 599234034 /nfs/dbraw/zinc/23/40/34/599234034.db2.gz DYQQPAAIVSKZLY-UHFFFAOYSA-N -1 3 396.251 3.096 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000738368868 599234037 /nfs/dbraw/zinc/23/40/37/599234037.db2.gz DYQQPAAIVSKZLY-UHFFFAOYSA-N -1 3 396.251 3.096 20 5 GGBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000736487977 599277478 /nfs/dbraw/zinc/27/74/78/599277478.db2.gz MISBCHSLHRCRGJ-UHFFFAOYSA-N -1 3 381.396 3.158 20 5 GGBDHM CCSCC[C@H](C)N(C)c1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821453433 607327198 /nfs/dbraw/zinc/32/71/98/607327198.db2.gz AFYJIZSQZJRGBJ-NSHDSACASA-N -1 3 387.469 3.291 20 5 GGBDHM CCSCC[C@H](C)N(C)c1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821453433 607327199 /nfs/dbraw/zinc/32/71/99/607327199.db2.gz AFYJIZSQZJRGBJ-NSHDSACASA-N -1 3 387.469 3.291 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCC(Cc3ccc(F)cc3)CC2)c(-c2nnn[n-]2)c1 ZINC000738371628 598245896 /nfs/dbraw/zinc/24/58/96/598245896.db2.gz UXKTTXDBMPVWRN-UHFFFAOYSA-N -1 3 382.399 3.373 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCC(Cc3ccc(F)cc3)CC2)c(-c2nn[n-]n2)c1 ZINC000738371628 598245898 /nfs/dbraw/zinc/24/58/98/598245898.db2.gz UXKTTXDBMPVWRN-UHFFFAOYSA-N -1 3 382.399 3.373 20 5 GGBDHM O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc(-c4nnn[n-]4)cc3F)o2)cc1 ZINC000738361209 598315747 /nfs/dbraw/zinc/31/57/47/598315747.db2.gz WNAXBSNZHADQAW-UHFFFAOYSA-N -1 3 394.366 3.464 20 5 GGBDHM O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccc(-c4nn[n-]n4)cc3F)o2)cc1 ZINC000738361209 598315749 /nfs/dbraw/zinc/31/57/49/598315749.db2.gz WNAXBSNZHADQAW-UHFFFAOYSA-N -1 3 394.366 3.464 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1cccc(OCC(F)F)c1 ZINC000738357562 598353734 /nfs/dbraw/zinc/35/37/34/598353734.db2.gz FJSUOSLRCBHUIS-UHFFFAOYSA-N -1 3 376.323 3.031 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1cccc(OCC(F)F)c1 ZINC000738357562 598353735 /nfs/dbraw/zinc/35/37/35/598353735.db2.gz FJSUOSLRCBHUIS-UHFFFAOYSA-N -1 3 376.323 3.031 20 5 GGBDHM O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)s2)c(-c2nnn[n-]2)c1 ZINC000738367282 598364973 /nfs/dbraw/zinc/36/49/73/598364973.db2.gz PGVVIRIJXPSOKV-UHFFFAOYSA-N -1 3 383.418 3.445 20 5 GGBDHM O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)s2)c(-c2nn[n-]n2)c1 ZINC000738367282 598364975 /nfs/dbraw/zinc/36/49/75/598364975.db2.gz PGVVIRIJXPSOKV-UHFFFAOYSA-N -1 3 383.418 3.445 20 5 GGBDHM O=C(OCc1cn2ccccc2c1-c1nnn[n-]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738235702 598432332 /nfs/dbraw/zinc/43/23/32/598432332.db2.gz VAMUNRUEEYXHFL-UHFFFAOYSA-N -1 3 398.766 3.038 20 5 GGBDHM O=C(OCc1cn2ccccc2c1-c1nn[n-]n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000738235702 598432334 /nfs/dbraw/zinc/43/23/34/598432334.db2.gz VAMUNRUEEYXHFL-UHFFFAOYSA-N -1 3 398.766 3.038 20 5 GGBDHM CCOc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000736636012 598492271 /nfs/dbraw/zinc/49/22/71/598492271.db2.gz GJFPCPBZQMNNKI-NSHDSACASA-N -1 3 383.364 3.092 20 5 GGBDHM CCOc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000736636012 598492272 /nfs/dbraw/zinc/49/22/72/598492272.db2.gz GJFPCPBZQMNNKI-NSHDSACASA-N -1 3 383.364 3.092 20 5 GGBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc3ccccc3c2)c(-c2nnn[n-]2)c1 ZINC000738368187 598581216 /nfs/dbraw/zinc/58/12/16/598581216.db2.gz AKNSWAQRTLNVBA-SFHVURJKSA-N -1 3 376.376 3.074 20 5 GGBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2ccc3ccccc3c2)c(-c2nn[n-]n2)c1 ZINC000738368187 598581218 /nfs/dbraw/zinc/58/12/18/598581218.db2.gz AKNSWAQRTLNVBA-SFHVURJKSA-N -1 3 376.376 3.074 20 5 GGBDHM Cc1c(OC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000737217360 598653522 /nfs/dbraw/zinc/65/35/22/598653522.db2.gz DDGCMSAMSQTVBA-UHFFFAOYSA-N -1 3 397.391 3.238 20 5 GGBDHM Cc1c(OC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000737217360 598653523 /nfs/dbraw/zinc/65/35/23/598653523.db2.gz DDGCMSAMSQTVBA-UHFFFAOYSA-N -1 3 397.391 3.238 20 5 GGBDHM C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736057139 598680948 /nfs/dbraw/zinc/68/09/48/598680948.db2.gz UFGVWUNDRNSTCF-SECBINFHSA-N -1 3 393.329 3.232 20 5 GGBDHM C[C@H](Cc1ccc(C(F)(F)F)cc1)Nc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736057139 598680949 /nfs/dbraw/zinc/68/09/49/598680949.db2.gz UFGVWUNDRNSTCF-SECBINFHSA-N -1 3 393.329 3.232 20 5 GGBDHM Cc1c2c(nc(SCc3c(F)cccc3[N+](=O)[O-])c1-c1nnn[n-]1)CCC2 ZINC000737218486 598733955 /nfs/dbraw/zinc/73/39/55/598733955.db2.gz JQOZUJCUSHXOPZ-UHFFFAOYSA-N -1 3 386.412 3.398 20 5 GGBDHM Cc1c2c(nc(SCc3c(F)cccc3[N+](=O)[O-])c1-c1nn[n-]n1)CCC2 ZINC000737218486 598733957 /nfs/dbraw/zinc/73/39/57/598733957.db2.gz JQOZUJCUSHXOPZ-UHFFFAOYSA-N -1 3 386.412 3.398 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000738357099 599306836 /nfs/dbraw/zinc/30/68/36/599306836.db2.gz BEIOWOVLTGTIFY-CQSZACIVSA-N -1 3 395.206 3.227 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000738357099 599306838 /nfs/dbraw/zinc/30/68/38/599306838.db2.gz BEIOWOVLTGTIFY-CQSZACIVSA-N -1 3 395.206 3.227 20 5 GGBDHM Cc1nc(-c2ccc(CNc3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)cc2)cs1 ZINC000822419761 599447945 /nfs/dbraw/zinc/44/79/45/599447945.db2.gz UNWFVLVGNXQBFK-UHFFFAOYSA-N -1 3 394.420 3.214 20 5 GGBDHM Cc1nc(-c2ccc(CNc3ncc([N+](=O)[O-])cc3-c3nn[n-]n3)cc2)cs1 ZINC000822419761 599447948 /nfs/dbraw/zinc/44/79/48/599447948.db2.gz UNWFVLVGNXQBFK-UHFFFAOYSA-N -1 3 394.420 3.214 20 5 GGBDHM CCc1ccccc1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821492313 599569100 /nfs/dbraw/zinc/56/91/00/599569100.db2.gz LISGKWPTZLTHCJ-UHFFFAOYSA-N -1 3 375.392 3.498 20 5 GGBDHM CCc1ccccc1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821492313 599569103 /nfs/dbraw/zinc/56/91/03/599569103.db2.gz LISGKWPTZLTHCJ-UHFFFAOYSA-N -1 3 375.392 3.498 20 5 GGBDHM COc1ccc(-c2ccc(CN[C@H]3CCCN(C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000737909917 599859509 /nfs/dbraw/zinc/85/95/09/599859509.db2.gz MXTHXYDZWFJAKD-LBPRGKRZSA-N -1 3 375.381 3.095 20 5 GGBDHM CN(C)[C@@H]1CCCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737359255 600209260 /nfs/dbraw/zinc/20/92/60/600209260.db2.gz OZOFWMOQJHLOLZ-OAHLLOKOSA-N -1 3 397.431 3.054 20 5 GGBDHM Cc1nccn1-c1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1F ZINC000826330674 607452421 /nfs/dbraw/zinc/45/24/21/607452421.db2.gz CVKIUJWRJTVVGX-UHFFFAOYSA-N -1 3 394.370 3.020 20 5 GGBDHM Cc1nccn1-c1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1F ZINC000826330674 607452423 /nfs/dbraw/zinc/45/24/23/607452423.db2.gz CVKIUJWRJTVVGX-UHFFFAOYSA-N -1 3 394.370 3.020 20 5 GGBDHM O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823546670 607458787 /nfs/dbraw/zinc/45/87/87/607458787.db2.gz CYYKFKFNFQONSV-KMKOMSMNSA-N -1 3 386.730 3.060 20 5 GGBDHM O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823546670 607458789 /nfs/dbraw/zinc/45/87/89/607458789.db2.gz CYYKFKFNFQONSV-KMKOMSMNSA-N -1 3 386.730 3.060 20 5 GGBDHM O=C(Cn1ccc2ccccc21)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826424450 607466951 /nfs/dbraw/zinc/46/69/51/607466951.db2.gz MRRUHGVIKFFHNP-UHFFFAOYSA-N -1 3 397.782 3.022 20 5 GGBDHM O=C(Cn1ccc2ccccc21)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826424450 607466953 /nfs/dbraw/zinc/46/69/53/607466953.db2.gz MRRUHGVIKFFHNP-UHFFFAOYSA-N -1 3 397.782 3.022 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000823629972 607468365 /nfs/dbraw/zinc/46/83/65/607468365.db2.gz OLRXCJQSQKDWJG-YJBOKZPZSA-N -1 3 398.398 3.007 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000823629972 607468366 /nfs/dbraw/zinc/46/83/66/607468366.db2.gz OLRXCJQSQKDWJG-YJBOKZPZSA-N -1 3 398.398 3.007 20 5 GGBDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000826053094 601202603 /nfs/dbraw/zinc/20/26/03/601202603.db2.gz IERLVTIITGFQIM-APPDUMDISA-N -1 3 391.811 3.238 20 5 GGBDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000826055091 601203719 /nfs/dbraw/zinc/20/37/19/601203719.db2.gz VPAZCYNXQSCKHZ-APPDUMDISA-N -1 3 391.811 3.238 20 5 GGBDHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000826055092 601203817 /nfs/dbraw/zinc/20/38/17/601203817.db2.gz VPAZCYNXQSCKHZ-DIFFPNOSSA-N -1 3 391.811 3.238 20 5 GGBDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000826055094 601203891 /nfs/dbraw/zinc/20/38/91/601203891.db2.gz VPAZCYNXQSCKHZ-PIGZYNQJSA-N -1 3 391.811 3.238 20 5 GGBDHM O=C(CCc1ccsc1)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826409399 607525119 /nfs/dbraw/zinc/52/51/19/607525119.db2.gz XDAXGBUZUZCCEZ-UHFFFAOYSA-N -1 3 378.801 3.061 20 5 GGBDHM O=C(CCc1ccsc1)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826409399 607525121 /nfs/dbraw/zinc/52/51/21/607525121.db2.gz XDAXGBUZUZCCEZ-UHFFFAOYSA-N -1 3 378.801 3.061 20 5 GGBDHM COc1cc(C)cc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000826178046 607731227 /nfs/dbraw/zinc/73/12/27/607731227.db2.gz HSNALOKNRFKBPW-UHFFFAOYSA-N -1 3 391.391 3.252 20 5 GGBDHM COc1cc(C)cc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC000826178046 607731229 /nfs/dbraw/zinc/73/12/29/607731229.db2.gz HSNALOKNRFKBPW-UHFFFAOYSA-N -1 3 391.391 3.252 20 5 GGBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823070736 606109051 /nfs/dbraw/zinc/10/90/51/606109051.db2.gz LPHPQPJVHZOKBY-UHFFFAOYSA-N -1 3 390.812 3.159 20 5 GGBDHM O=C(CSc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823070736 606109053 /nfs/dbraw/zinc/10/90/53/606109053.db2.gz LPHPQPJVHZOKBY-UHFFFAOYSA-N -1 3 390.812 3.159 20 5 GGBDHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823308784 606123605 /nfs/dbraw/zinc/12/36/05/606123605.db2.gz JKXQNDLQGRZVMB-UHFFFAOYSA-N -1 3 379.163 3.334 20 5 GGBDHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000823308784 606123606 /nfs/dbraw/zinc/12/36/06/606123606.db2.gz JKXQNDLQGRZVMB-UHFFFAOYSA-N -1 3 379.163 3.334 20 5 GGBDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000819975787 606125977 /nfs/dbraw/zinc/12/59/77/606125977.db2.gz CVAVZKCYIWUFBR-UHFFFAOYSA-N -1 3 389.803 3.237 20 5 GGBDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000819975787 606125978 /nfs/dbraw/zinc/12/59/78/606125978.db2.gz CVAVZKCYIWUFBR-UHFFFAOYSA-N -1 3 389.803 3.237 20 5 GGBDHM CC[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000820921035 606151951 /nfs/dbraw/zinc/15/19/51/606151951.db2.gz VBBGIFDFXBNXIF-AWEZNQCLSA-N -1 3 397.395 3.056 20 5 GGBDHM CC[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000820921035 606151952 /nfs/dbraw/zinc/15/19/52/606151952.db2.gz VBBGIFDFXBNXIF-AWEZNQCLSA-N -1 3 397.395 3.056 20 5 GGBDHM Cc1nn(C)c(Oc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)c1[N+](=O)[O-] ZINC000822496763 606242050 /nfs/dbraw/zinc/24/20/50/606242050.db2.gz UISXKGMWMBKTGH-UHFFFAOYSA-N -1 3 393.363 3.401 20 5 GGBDHM Cc1nn(C)c(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c1[N+](=O)[O-] ZINC000822496763 606242052 /nfs/dbraw/zinc/24/20/52/606242052.db2.gz UISXKGMWMBKTGH-UHFFFAOYSA-N -1 3 393.363 3.401 20 5 GGBDHM O=[N+]([O-])c1cccc(-c2noc(CSc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000823647997 606326936 /nfs/dbraw/zinc/32/69/36/606326936.db2.gz RPDDJBCAQYPWNQ-UHFFFAOYSA-N -1 3 381.377 3.117 20 5 GGBDHM O=[N+]([O-])c1cccc(-c2noc(CSc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000823647997 606326938 /nfs/dbraw/zinc/32/69/38/606326938.db2.gz RPDDJBCAQYPWNQ-UHFFFAOYSA-N -1 3 381.377 3.117 20 5 GGBDHM C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820481100 606347050 /nfs/dbraw/zinc/34/70/50/606347050.db2.gz SQBRENFRFWIGKF-LBPRGKRZSA-N -1 3 381.392 3.357 20 5 GGBDHM C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820481100 606347053 /nfs/dbraw/zinc/34/70/53/606347053.db2.gz SQBRENFRFWIGKF-LBPRGKRZSA-N -1 3 381.392 3.357 20 5 GGBDHM C[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820508542 606398097 /nfs/dbraw/zinc/39/80/97/606398097.db2.gz RDAXBIVSMIMQPV-JTQLQIEISA-N -1 3 378.348 3.174 20 5 GGBDHM C[C@H](OC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820508542 606398098 /nfs/dbraw/zinc/39/80/98/606398098.db2.gz RDAXBIVSMIMQPV-JTQLQIEISA-N -1 3 378.348 3.174 20 5 GGBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)[C@H](O)c1c(F)cccc1Cl ZINC000820456561 606418983 /nfs/dbraw/zinc/41/89/83/606418983.db2.gz VHPMRCRVOYZSHL-GLEZIHRCSA-N -1 3 392.778 3.101 20 5 GGBDHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)[C@H](O)c1c(F)cccc1Cl ZINC000820456561 606418985 /nfs/dbraw/zinc/41/89/85/606418985.db2.gz VHPMRCRVOYZSHL-GLEZIHRCSA-N -1 3 392.778 3.101 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3c3cccnc3)cc(-c3nnn[n-]3)c2c1 ZINC000823643813 606445700 /nfs/dbraw/zinc/44/57/00/606445700.db2.gz BULFDMDCJJWESK-KRWDZBQOSA-N -1 3 388.391 3.060 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N3CCC[C@H]3c3cccnc3)cc(-c3nn[n-]n3)c2c1 ZINC000823643813 606445701 /nfs/dbraw/zinc/44/57/01/606445701.db2.gz BULFDMDCJJWESK-KRWDZBQOSA-N -1 3 388.391 3.060 20 5 GGBDHM Cc1ccc([C@H](C)NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822228614 606448260 /nfs/dbraw/zinc/44/82/60/606448260.db2.gz AJHPXTKSKARKDF-LBPRGKRZSA-N -1 3 398.448 3.053 20 5 GGBDHM Cc1ccc([C@H](C)NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822228614 606448262 /nfs/dbraw/zinc/44/82/62/606448262.db2.gz AJHPXTKSKARKDF-LBPRGKRZSA-N -1 3 398.448 3.053 20 5 GGBDHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822229386 606580201 /nfs/dbraw/zinc/58/02/01/606580201.db2.gz SZAVVCAWTFCRPM-JTQLQIEISA-N -1 3 385.359 3.105 20 5 GGBDHM Cc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822229386 606580203 /nfs/dbraw/zinc/58/02/03/606580203.db2.gz SZAVVCAWTFCRPM-JTQLQIEISA-N -1 3 385.359 3.105 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822271031 606590880 /nfs/dbraw/zinc/59/08/80/606590880.db2.gz JEFXKKDIWTUHDY-UHFFFAOYSA-N -1 3 377.307 3.264 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822271031 606590881 /nfs/dbraw/zinc/59/08/81/606590881.db2.gz JEFXKKDIWTUHDY-UHFFFAOYSA-N -1 3 377.307 3.264 20 5 GGBDHM O=[N+]([O-])c1cc(F)ccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823634195 606591422 /nfs/dbraw/zinc/59/14/22/606591422.db2.gz CKXZEVCLRCCFLY-UHFFFAOYSA-N -1 3 381.270 3.094 20 5 GGBDHM O=[N+]([O-])c1cc(F)ccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823634195 606591424 /nfs/dbraw/zinc/59/14/24/606591424.db2.gz CKXZEVCLRCCFLY-UHFFFAOYSA-N -1 3 381.270 3.094 20 5 GGBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823422323 606680245 /nfs/dbraw/zinc/68/02/45/606680245.db2.gz QGJCXEOPFMULAH-UHFFFAOYSA-N -1 3 395.709 3.064 20 5 GGBDHM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823422323 606680246 /nfs/dbraw/zinc/68/02/46/606680246.db2.gz QGJCXEOPFMULAH-UHFFFAOYSA-N -1 3 395.709 3.064 20 5 GGBDHM O=[N+]([O-])c1cnc(Oc2cc(Cl)ccc2-c2nnn[n-]2)c(Br)c1 ZINC000823650797 606790647 /nfs/dbraw/zinc/79/06/47/606790647.db2.gz AWHOAUIUVUZRFO-UHFFFAOYSA-N -1 3 397.576 3.378 20 5 GGBDHM O=[N+]([O-])c1cnc(Oc2cc(Cl)ccc2-c2nn[n-]n2)c(Br)c1 ZINC000823650797 606790648 /nfs/dbraw/zinc/79/06/48/606790648.db2.gz AWHOAUIUVUZRFO-UHFFFAOYSA-N -1 3 397.576 3.378 20 5 GGBDHM O=C(Nc1sc(-c2ccccc2)cc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cn1 ZINC000823383058 606811882 /nfs/dbraw/zinc/81/18/82/606811882.db2.gz KQOFYDOXDUMLKE-UHFFFAOYSA-N -1 3 393.388 3.151 20 5 GGBDHM O=C(Nc1sc(-c2ccccc2)cc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cn1 ZINC000823383058 606811884 /nfs/dbraw/zinc/81/18/84/606811884.db2.gz KQOFYDOXDUMLKE-UHFFFAOYSA-N -1 3 393.388 3.151 20 5 GGBDHM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573601 606961327 /nfs/dbraw/zinc/96/13/27/606961327.db2.gz XBRIRDUNXCHVDN-UHFFFAOYSA-N -1 3 393.190 3.358 20 5 GGBDHM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573601 606961329 /nfs/dbraw/zinc/96/13/29/606961329.db2.gz XBRIRDUNXCHVDN-UHFFFAOYSA-N -1 3 393.190 3.358 20 5 GGBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574603 606961415 /nfs/dbraw/zinc/96/14/15/606961415.db2.gz OEBHVVZNBOGVOS-UHFFFAOYSA-N -1 3 393.190 3.358 20 5 GGBDHM CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821574603 606961417 /nfs/dbraw/zinc/96/14/17/606961417.db2.gz OEBHVVZNBOGVOS-UHFFFAOYSA-N -1 3 393.190 3.358 20 5 GGBDHM O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823421743 606996062 /nfs/dbraw/zinc/99/60/62/606996062.db2.gz HLPJKDOMABLCHS-UHFFFAOYSA-N -1 3 383.295 3.017 20 5 GGBDHM O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823421743 606996065 /nfs/dbraw/zinc/99/60/65/606996065.db2.gz HLPJKDOMABLCHS-UHFFFAOYSA-N -1 3 383.295 3.017 20 5 GGBDHM O=[N+]([O-])c1ccc(COc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000823640242 607032116 /nfs/dbraw/zinc/03/21/16/607032116.db2.gz YTMBENBZQCIDCN-UHFFFAOYSA-N -1 3 376.170 3.116 20 5 GGBDHM O=[N+]([O-])c1ccc(COc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000823640242 607032118 /nfs/dbraw/zinc/03/21/18/607032118.db2.gz YTMBENBZQCIDCN-UHFFFAOYSA-N -1 3 376.170 3.116 20 5 GGBDHM O=[N+]([O-])c1cccc(Cl)c1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823647560 607159400 /nfs/dbraw/zinc/15/94/00/607159400.db2.gz MNRGHQMCTLVVAF-UHFFFAOYSA-N -1 3 375.772 3.276 20 5 GGBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823318703 607243275 /nfs/dbraw/zinc/24/32/75/607243275.db2.gz IFOBSWYVONEPNT-UHFFFAOYSA-N -1 3 384.739 3.427 20 5 GGBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000823318703 607243276 /nfs/dbraw/zinc/24/32/76/607243276.db2.gz IFOBSWYVONEPNT-UHFFFAOYSA-N -1 3 384.739 3.427 20 5 GGBDHM O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826455205 607932169 /nfs/dbraw/zinc/93/21/69/607932169.db2.gz DVIDGRRTIQUNBH-UHFFFAOYSA-N -1 3 385.771 3.023 20 5 GGBDHM O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826455205 607932170 /nfs/dbraw/zinc/93/21/70/607932170.db2.gz DVIDGRRTIQUNBH-UHFFFAOYSA-N -1 3 385.771 3.023 20 5 GGBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826497429 608091387 /nfs/dbraw/zinc/09/13/87/608091387.db2.gz HAYVRMBDZUBPFD-UHFFFAOYSA-N -1 3 395.297 3.252 20 5 GGBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000825674044 608159772 /nfs/dbraw/zinc/15/97/72/608159772.db2.gz GRBAGGNTEOHEIH-UHFFFAOYSA-N -1 3 389.368 3.245 20 5 GGBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000825674044 608159773 /nfs/dbraw/zinc/15/97/73/608159773.db2.gz GRBAGGNTEOHEIH-UHFFFAOYSA-N -1 3 389.368 3.245 20 5 GGBDHM Cc1cccc([C@H](Nc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c2ccccn2)c1 ZINC000826297151 608230585 /nfs/dbraw/zinc/23/05/85/608230585.db2.gz XIMNBYPZRSBQRU-KRWDZBQOSA-N -1 3 388.391 3.075 20 5 GGBDHM Cc1cccc([C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c2ccccn2)c1 ZINC000826297151 608230587 /nfs/dbraw/zinc/23/05/87/608230587.db2.gz XIMNBYPZRSBQRU-KRWDZBQOSA-N -1 3 388.391 3.075 20 5 GGBDHM CCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380574 608347341 /nfs/dbraw/zinc/34/73/41/608347341.db2.gz RPZIHNVSIFFLHG-UHFFFAOYSA-N -1 3 386.799 3.403 20 5 GGBDHM CCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380574 608347342 /nfs/dbraw/zinc/34/73/42/608347342.db2.gz RPZIHNVSIFFLHG-UHFFFAOYSA-N -1 3 386.799 3.403 20 5 GGBDHM COc1cc(-c2nnn[n-]2)ccc1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000826167794 608370306 /nfs/dbraw/zinc/37/03/06/608370306.db2.gz RCKFCBPBTFYSPK-UHFFFAOYSA-N -1 3 388.815 3.069 20 5 GGBDHM COc1cc(-c2nn[n-]n2)ccc1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000826167794 608370308 /nfs/dbraw/zinc/37/03/08/608370308.db2.gz RCKFCBPBTFYSPK-UHFFFAOYSA-N -1 3 388.815 3.069 20 5 GGBDHM O=C(Nc1cccc([N+](=O)[O-])c1)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 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Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000269282990 1434617640 /nfs/dbraw/zinc/61/76/40/1434617640.db2.gz MGAHRIGBPGRDTF-UHFFFAOYSA-N -1 3 387.461 3.410 20 5 GGBDHM COC(=O)c1sc([N-]C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])nc1C(C)(C)C ZINC000269339935 1434627434 /nfs/dbraw/zinc/62/74/34/1434627434.db2.gz CCXXAXHOPHGMGT-UHFFFAOYSA-N -1 3 395.441 3.234 20 5 GGBDHM CC(C)[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000272147575 1434874807 /nfs/dbraw/zinc/87/48/07/1434874807.db2.gz BVFISKAUIHPEBZ-CYBMUJFWSA-N -1 3 380.351 3.461 20 5 GGBDHM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000274956559 1435106001 /nfs/dbraw/zinc/10/60/01/1435106001.db2.gz JSAOVSPCOWENIV-STQMWFEESA-N -1 3 398.419 3.066 20 5 GGBDHM COC(=O)c1cnc(SCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[n-]1 ZINC000278658355 1435411275 /nfs/dbraw/zinc/41/12/75/1435411275.db2.gz NABRLDCWQGIJTK-UHFFFAOYSA-N -1 3 389.336 3.007 20 5 GGBDHM Cc1ccc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822230832 946010136 /nfs/dbraw/zinc/01/01/36/946010136.db2.gz RMMAURBJNIUEIC-STQMWFEESA-N -1 3 397.391 3.155 20 5 GGBDHM Cc1ccc([C@H](C)OC(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822230832 946010148 /nfs/dbraw/zinc/01/01/48/946010148.db2.gz RMMAURBJNIUEIC-STQMWFEESA-N -1 3 397.391 3.155 20 5 GGBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCCC[C@@H]21 ZINC000824991608 947027687 /nfs/dbraw/zinc/02/76/87/947027687.db2.gz CVLRXPGTJGHXOJ-CJBNDPTMSA-N -1 3 379.424 3.338 20 5 GGBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCCC[C@@H]21 ZINC000824991608 947027701 /nfs/dbraw/zinc/02/77/01/947027701.db2.gz CVLRXPGTJGHXOJ-CJBNDPTMSA-N -1 3 379.424 3.338 20 5 GGBDHM CC(C)(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001573788578 949201446 /nfs/dbraw/zinc/20/14/46/949201446.db2.gz NOOIVJSXXXNPMT-UHFFFAOYSA-N -1 3 386.799 3.345 20 5 GGBDHM CC(C)(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001573788578 949201456 /nfs/dbraw/zinc/20/14/56/949201456.db2.gz NOOIVJSXXXNPMT-UHFFFAOYSA-N -1 3 386.799 3.345 20 5 GGBDHM CC(C)(C)OC(=O)c1cccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1 ZINC001573864020 950492215 /nfs/dbraw/zinc/49/22/15/950492215.db2.gz WNJRJXWFSXXBGY-UHFFFAOYSA-N -1 3 396.407 3.342 20 5 GGBDHM CC(C)(C)OC(=O)c1cccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1 ZINC001573864020 950492233 /nfs/dbraw/zinc/49/22/33/950492233.db2.gz WNJRJXWFSXXBGY-UHFFFAOYSA-N -1 3 396.407 3.342 20 5 GGBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2CC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000568074576 953641768 /nfs/dbraw/zinc/64/17/68/953641768.db2.gz MQRHOYOSBFBUAL-ORAYPTAESA-N -1 3 380.441 3.325 20 5 GGBDHM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN2[C@H](C)CC[C@@H]2C(=O)[O-])cc1OC ZINC001589459067 954857210 /nfs/dbraw/zinc/85/72/10/954857210.db2.gz UMELVKLYTBWVIA-GZBFAFLISA-N -1 3 380.441 3.466 20 5 GGBDHM CN1CCC[C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000517378800 974317025 /nfs/dbraw/zinc/31/70/25/974317025.db2.gz VMJCPKRSYBFJHD-XHDPSFHLSA-N -1 3 376.438 3.245 20 5 GGBDHM CN1CCC[C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000517378788 974317461 /nfs/dbraw/zinc/31/74/61/974317461.db2.gz VMJCPKRSYBFJHD-ABAIWWIYSA-N -1 3 376.438 3.245 20 5 GGBDHM CSc1ccc([C@@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000563815078 974540196 /nfs/dbraw/zinc/54/01/96/974540196.db2.gz ZYWDLDYLRXBBOU-OAHLLOKOSA-N -1 3 376.438 3.125 20 5 GGBDHM Cc1cc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566564001 974616872 /nfs/dbraw/zinc/61/68/72/974616872.db2.gz PDSNVDDMOJBUJA-GOSISDBHSA-N -1 3 399.447 3.304 20 5 GGBDHM Cc1cc(NC[C@@H]2CN(Cc3ccccc3)CCCO2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568986935 974681416 /nfs/dbraw/zinc/68/14/16/974681416.db2.gz RSRHYJJIHYLIIF-QGZVFWFLSA-N -1 3 399.447 3.304 20 5 GGBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NCCCCN2CCN(c3ccccc3)CC2)c1 ZINC000569225994 974686817 /nfs/dbraw/zinc/68/68/17/974686817.db2.gz SFOPSHSYODAYHA-UHFFFAOYSA-N -1 3 398.463 3.307 20 5 GGBDHM O=C([O-])c1cnc(C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000600676321 975005917 /nfs/dbraw/zinc/00/59/17/975005917.db2.gz REFOGNTULXURKS-UHFFFAOYSA-N -1 3 377.422 3.008 20 5 GGBDHM O=C([O-])c1ccccc1CC1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000851707271 979574057 /nfs/dbraw/zinc/57/40/57/979574057.db2.gz ZDFKWYVFQPHQAN-FQEVSTJZSA-N -1 3 384.432 3.281 20 5 GGBDHM CCN1CCN(c2cccc(Nc3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])c2)CC1 ZINC001596442339 984136017 /nfs/dbraw/zinc/13/60/17/984136017.db2.gz IRELFZIZMCNGPL-UHFFFAOYSA-N -1 3 384.436 3.487 20 5 GGBDHM C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC001589002304 984947183 /nfs/dbraw/zinc/94/71/83/984947183.db2.gz PGAUHVFKNXIJBK-PMTSLALWSA-N -1 3 395.415 3.239 20 5 GGBDHM C[C@@H]1CN(CCCCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H](C)O1 ZINC001594527619 986081666 /nfs/dbraw/zinc/08/16/66/986081666.db2.gz HBGXCABUBINEAF-VXGBXAGGSA-N -1 3 385.848 3.248 20 5 GGBDHM CN(CCCN(C)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])Cc1ccncc1 ZINC001598477710 992102156 /nfs/dbraw/zinc/10/21/56/992102156.db2.gz DZAZSGJDXSAIOH-UHFFFAOYSA-N -1 3 392.843 3.300 20 5 GGBDHM C[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 ZINC001593298524 994716019 /nfs/dbraw/zinc/71/60/19/994716019.db2.gz KMCHJJDWIHGYPU-CQSZACIVSA-N -1 3 396.403 3.095 20 5 GGBDHM CO[C@]1(C(=O)[O-])CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC001599078384 996933376 /nfs/dbraw/zinc/93/33/76/996933376.db2.gz CJIWTFBLZCAHPP-QGZVFWFLSA-N -1 3 380.784 3.184 20 5 GGBDHM CC1(C)CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC001593942831 996973251 /nfs/dbraw/zinc/97/32/51/996973251.db2.gz QBZMQKVJBYJCDE-UHFFFAOYSA-N -1 3 383.448 3.389 20 5 GGBDHM C[C@](NCc1ccc2c(c1)COC(C)(C)O2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593980919 997196551 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3.292 20 5 GGBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nc3ccccc3s2)c1C ZINC000119357043 564267256 /nfs/dbraw/zinc/26/72/56/564267256.db2.gz SZPYKDIRDSTHJB-UHFFFAOYSA-N -1 3 377.447 3.300 20 5 GGBDHM NC(=O)CCSc1ccccc1[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000120115946 564305259 /nfs/dbraw/zinc/30/52/59/564305259.db2.gz GONCESJZMRMZMQ-UHFFFAOYSA-N -1 3 379.825 3.468 20 5 GGBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1 ZINC000020430706 564306817 /nfs/dbraw/zinc/30/68/17/564306817.db2.gz PIEBVRYSWJLBOR-UHFFFAOYSA-N -1 3 375.175 3.297 20 5 GGBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2csc(C(C)C)n2)c1C ZINC000120217976 564310175 /nfs/dbraw/zinc/31/01/75/564310175.db2.gz SBXYYHGYJYWTDJ-UHFFFAOYSA-N -1 3 383.495 3.313 20 5 GGBDHM Cc1csc(CCCC[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000120256252 564312161 /nfs/dbraw/zinc/31/21/61/564312161.db2.gz MGLMOKUIQQQNGA-UHFFFAOYSA-N -1 3 383.495 3.278 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000025376494 564338793 /nfs/dbraw/zinc/33/87/93/564338793.db2.gz ZZDKAOWJVRKMMF-UWVGGRQHSA-N -1 3 382.360 3.003 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000025376237 564338835 /nfs/dbraw/zinc/33/88/35/564338835.db2.gz YYHFJVKLRCIRDZ-NXEZZACHSA-N -1 3 382.360 3.003 20 5 GGBDHM Cc1c(Br)cc(S(=O)(=O)[N-]c2ccncc2F)cc1[N+](=O)[O-] ZINC000120847256 564340203 /nfs/dbraw/zinc/34/02/03/564340203.db2.gz QHZZXELWNXGSGS-UHFFFAOYSA-N -1 3 390.190 3.001 20 5 GGBDHM C[C@@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000121055610 564351191 /nfs/dbraw/zinc/35/11/91/564351191.db2.gz POLRUVADWPUAAP-NSHDSACASA-N -1 3 377.447 3.114 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000122952517 564433128 /nfs/dbraw/zinc/43/31/28/564433128.db2.gz NSZUDWOBXCOFTL-UHFFFAOYSA-N -1 3 378.378 3.045 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@@H](COCC(C)C)c2ccco2)cc1[N+](=O)[O-] ZINC000123503496 564450480 /nfs/dbraw/zinc/45/04/80/564450480.db2.gz DWGGXCQJXBSJLI-LBPRGKRZSA-N -1 3 388.467 3.250 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)cc1[N+](=O)[O-] ZINC000123532532 564451763 /nfs/dbraw/zinc/45/17/63/564451763.db2.gz XWTABOCNDFBCPJ-UHFFFAOYSA-N -1 3 392.405 3.087 20 5 GGBDHM Cc1csc(C2([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)CCCC2)n1 ZINC000123989256 564468631 /nfs/dbraw/zinc/46/86/31/564468631.db2.gz PVZRLUSXQANSPI-UHFFFAOYSA-N -1 3 387.508 3.477 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000124158391 564472957 /nfs/dbraw/zinc/47/29/57/564472957.db2.gz LMUAKRSNDWISSH-SMDDNHRTSA-N -1 3 376.500 3.084 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCCO[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000124158186 564473587 /nfs/dbraw/zinc/47/35/87/564473587.db2.gz LMUAKRSNDWISSH-RISCZKNCSA-N -1 3 376.500 3.084 20 5 GGBDHM COCCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000124965300 564499028 /nfs/dbraw/zinc/49/90/28/564499028.db2.gz VUSUKLJVQBIDJC-UHFFFAOYSA-N -1 3 376.862 3.123 20 5 GGBDHM COc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000125090512 564502818 /nfs/dbraw/zinc/50/28/18/564502818.db2.gz DHXCNUZNVMXRAM-UHFFFAOYSA-N -1 3 378.740 3.336 20 5 GGBDHM CSc1nsc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000125494167 564516812 /nfs/dbraw/zinc/51/68/12/564516812.db2.gz QQQUVKJBSULYFJ-UHFFFAOYSA-N -1 3 375.229 3.183 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)cc1[N+](=O)[O-] ZINC000125611115 564521077 /nfs/dbraw/zinc/52/10/77/564521077.db2.gz AEYQXTSUXIJSDU-UHFFFAOYSA-N -1 3 385.448 3.160 20 5 GGBDHM CC[C@H](C)Oc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccn1 ZINC000126305929 564544994 /nfs/dbraw/zinc/54/49/94/564544994.db2.gz DCCIUYGZUTZFJF-JTQLQIEISA-N -1 3 385.467 3.016 20 5 GGBDHM CN(CC(=O)Nc1cc(Br)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000126487356 564550491 /nfs/dbraw/zinc/55/04/91/564550491.db2.gz UQKNAYDWLLFEOT-UHFFFAOYSA-N -1 3 380.198 3.138 20 5 GGBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000053671602 564593022 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/nfs/dbraw/zinc/72/88/11/564728811.db2.gz VWINCJXKJCYXPF-UHFFFAOYSA-N -1 3 392.169 3.296 20 5 GGBDHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000131959603 564729779 /nfs/dbraw/zinc/72/97/79/564729779.db2.gz AVXOLRHPMZNXLQ-CQSZACIVSA-N -1 3 382.825 3.223 20 5 GGBDHM C[C@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000064960332 564737473 /nfs/dbraw/zinc/73/74/73/564737473.db2.gz GFGFHSJHULWGAM-LBPRGKRZSA-N -1 3 389.905 3.037 20 5 GGBDHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000064952050 564737660 /nfs/dbraw/zinc/73/76/60/564737660.db2.gz HOXLVMHLPFGZKZ-LBPRGKRZSA-N -1 3 384.841 3.302 20 5 GGBDHM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1OC ZINC000066000244 564753489 /nfs/dbraw/zinc/75/34/89/564753489.db2.gz HZMLMIHYCBSHJK-JTQLQIEISA-N -1 3 386.451 3.103 20 5 GGBDHM Cc1csc(CCCC[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000066106243 564755918 /nfs/dbraw/zinc/75/59/18/564755918.db2.gz BHDLZQDQSYWLMO-UHFFFAOYSA-N 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ZINC000151579572 564927400 /nfs/dbraw/zinc/92/74/00/564927400.db2.gz MBBHFFRCPWFEBN-UHFFFAOYSA-N -1 3 379.210 3.312 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151569400 564927450 /nfs/dbraw/zinc/92/74/50/564927450.db2.gz DHXAQTAGNYJTCC-UHFFFAOYSA-N -1 3 381.182 3.002 20 5 GGBDHM O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc([O-])c(Br)c1 ZINC000151618172 564930318 /nfs/dbraw/zinc/93/03/18/564930318.db2.gz AHSIMQQHERHTFP-UHFFFAOYSA-N -1 3 397.250 3.471 20 5 GGBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1sccc1Br ZINC000103201578 564945016 /nfs/dbraw/zinc/94/50/16/564945016.db2.gz NJYMPCKZHFAHNO-UHFFFAOYSA-N -1 3 394.210 3.456 20 5 GGBDHM C[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000152308723 564954748 /nfs/dbraw/zinc/95/47/48/564954748.db2.gz CBZODKALMFXZHR-SECBINFHSA-N -1 3 388.854 3.250 20 5 GGBDHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000153776323 565010504 /nfs/dbraw/zinc/01/05/04/565010504.db2.gz 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CO[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000184603018 565146475 /nfs/dbraw/zinc/14/64/75/565146475.db2.gz RYNJPJNRXXEHAQ-INIZCTEOSA-N -1 3 384.841 3.055 20 5 GGBDHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000294071823 565197189 /nfs/dbraw/zinc/19/71/89/565197189.db2.gz PKQGSNOIYZCKQY-UHFFFAOYSA-N -1 3 383.813 3.408 20 5 GGBDHM CC(C)OC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000159361860 565202597 /nfs/dbraw/zinc/20/25/97/565202597.db2.gz CYXNMKMNTLTAEG-UHFFFAOYSA-N -1 3 376.862 3.263 20 5 GGBDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nc(C(F)(F)F)cs1 ZINC000185877388 565226356 /nfs/dbraw/zinc/22/63/56/565226356.db2.gz JWPKJIKPUBIBOI-JTQLQIEISA-N -1 3 395.384 3.500 20 5 GGBDHM Cc1cnc([C@@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000186740064 565282644 /nfs/dbraw/zinc/28/26/44/565282644.db2.gz SUAKGBVBSARDKZ-QMMMGPOBSA-N -1 3 375.859 3.095 20 5 GGBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc(NC(=O)C3CC3)cc2)s1 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Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC(F)F)c1C ZINC000410171617 565668644 /nfs/dbraw/zinc/66/86/44/565668644.db2.gz NALYWEZRHCYOSR-DGCLKSJQSA-N -1 3 378.397 3.040 20 5 GGBDHM CSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000194009433 565790714 /nfs/dbraw/zinc/79/07/14/565790714.db2.gz UVIOMEWTGXXSEO-UHFFFAOYSA-N -1 3 384.401 3.178 20 5 GGBDHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccnc1 ZINC000177016497 565823146 /nfs/dbraw/zinc/82/31/46/565823146.db2.gz FUFWLVSUOSIEIA-CQSZACIVSA-N -1 3 383.857 3.361 20 5 GGBDHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2Br)c1 ZINC000194667138 565830317 /nfs/dbraw/zinc/83/03/17/565830317.db2.gz GHHSRMYCMVKXFE-UHFFFAOYSA-N -1 3 393.165 3.436 20 5 GGBDHM COC(=O)[C@H](C)c1cccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000413512288 565857158 /nfs/dbraw/zinc/85/71/58/565857158.db2.gz XKEOONRSPOXNCX-SECBINFHSA-N -1 3 384.435 3.080 20 5 GGBDHM COc1ccc(Br)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000195427012 565882438 /nfs/dbraw/zinc/88/24/38/565882438.db2.gz WNZGUNQESNFNJF-UHFFFAOYSA-N -1 3 387.211 3.167 20 5 GGBDHM O=C(NCc1ccc([O-])c(Br)c1)NCc1ccccc1[N+](=O)[O-] ZINC000178520567 565923650 /nfs/dbraw/zinc/92/36/50/565923650.db2.gz KRCFYXQPJRQICD-UHFFFAOYSA-N -1 3 380.198 3.062 20 5 GGBDHM O=C(NCc1cccc([N+](=O)[O-])c1)NCc1ccc([O-])c(Br)c1 ZINC000178622682 565929479 /nfs/dbraw/zinc/92/94/79/565929479.db2.gz OYERNMPMSKZHRN-UHFFFAOYSA-N -1 3 380.198 3.062 20 5 GGBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nccs1 ZINC000416454445 566069874 /nfs/dbraw/zinc/06/98/74/566069874.db2.gz IBQAVWAKUNTCNU-QMMMGPOBSA-N -1 3 395.384 3.152 20 5 GGBDHM COC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000288460303 566075268 /nfs/dbraw/zinc/07/52/68/566075268.db2.gz SLXUIXBRJJCYTF-OAHLLOKOSA-N -1 3 384.841 3.055 20 5 GGBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCCSC1 ZINC000416490724 566075560 /nfs/dbraw/zinc/07/55/60/566075560.db2.gz WXAYDEJSQBUPOY-SECBINFHSA-N -1 3 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20 5 GGBDHM C[C@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000515758846 566732750 /nfs/dbraw/zinc/73/27/50/566732750.db2.gz RKPHBCMMTIWMTG-SMDDNHRTSA-N -1 3 376.862 3.122 20 5 GGBDHM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000609027070 566746875 /nfs/dbraw/zinc/74/68/75/566746875.db2.gz HRJIRYDQUOVLQX-UHFFFAOYSA-N -1 3 393.165 3.436 20 5 GGBDHM Cc1ccsc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488918210 566756828 /nfs/dbraw/zinc/75/68/28/566756828.db2.gz SWQILQUQUIJQQV-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000488912902 566757171 /nfs/dbraw/zinc/75/71/71/566757171.db2.gz BOYOQOFKSLJLIA-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM Cc1ccc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000609418698 566763905 /nfs/dbraw/zinc/76/39/05/566763905.db2.gz OASZZOQUQZCZKH-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000469389459 566787208 /nfs/dbraw/zinc/78/72/08/566787208.db2.gz WFBVXZQQKPFYJN-SECBINFHSA-N -1 3 377.260 3.214 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CC2)c(Cl)c1 ZINC000610086115 566804705 /nfs/dbraw/zinc/80/47/05/566804705.db2.gz GATSYVSUOQCYKW-UHFFFAOYSA-N -1 3 384.816 3.397 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000489979734 566820417 /nfs/dbraw/zinc/82/04/17/566820417.db2.gz IDXBISKQDXVSFU-LLVKDONJSA-N -1 3 378.397 3.097 20 5 GGBDHM COc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000490464986 566855262 /nfs/dbraw/zinc/85/52/62/566855262.db2.gz RBMLTTLAQIQEKY-UHFFFAOYSA-N -1 3 384.841 3.470 20 5 GGBDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(N)=O)sc2C)cc1SC ZINC000610732963 566857956 /nfs/dbraw/zinc/85/79/56/566857956.db2.gz PKNKYJKAIHAQPS-UHFFFAOYSA-N -1 3 381.435 3.046 20 5 GGBDHM CCC(CC)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)OC ZINC000490510078 566860144 /nfs/dbraw/zinc/86/01/44/566860144.db2.gz PDSLGMPYCBCBEL-UHFFFAOYSA-N -1 3 384.376 3.097 20 5 GGBDHM Cc1c(Br)cc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000610785443 566864098 /nfs/dbraw/zinc/86/40/98/566864098.db2.gz SUCCCKZCXSULIS-QMMMGPOBSA-N -1 3 399.213 3.132 20 5 GGBDHM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1Cl ZINC000610786545 566864233 /nfs/dbraw/zinc/86/42/33/566864233.db2.gz GQFHYDFFAJVHOK-CQSZACIVSA-N -1 3 388.804 3.053 20 5 GGBDHM O=C(NCCc1ccccc1[N+](=O)[O-])NCc1ccc([O-])c(Br)c1 ZINC000470354935 566868135 /nfs/dbraw/zinc/86/81/35/566868135.db2.gz MNJIALYGZKGIDU-UHFFFAOYSA-N -1 3 394.225 3.105 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)[C@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000490624828 566872057 /nfs/dbraw/zinc/87/20/57/566872057.db2.gz BFRPKTLIRCTWBL-XLKFXECMSA-N -1 3 388.492 3.007 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000518595168 566893796 /nfs/dbraw/zinc/89/37/96/566893796.db2.gz NDJJDQBTVUVVKV-OLZOCXBDSA-N -1 3 397.250 3.192 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(Br)c1 ZINC000518595170 566894016 /nfs/dbraw/zinc/89/40/16/566894016.db2.gz NDJJDQBTVUVVKV-STQMWFEESA-N -1 3 397.250 3.192 20 5 GGBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]CCCc2ccccc2)c1 ZINC000518704647 566898858 /nfs/dbraw/zinc/89/88/58/566898858.db2.gz XESWCZFEESCYAJ-UHFFFAOYSA-N -1 3 399.266 3.268 20 5 GGBDHM COC1CCC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000543688783 566901654 /nfs/dbraw/zinc/90/16/54/566901654.db2.gz AXTKHWSVMUZEPL-UHFFFAOYSA-N -1 3 376.862 3.122 20 5 GGBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000543686459 566902389 /nfs/dbraw/zinc/90/23/89/566902389.db2.gz PFHZPANVGYNESL-NSHDSACASA-N -1 3 399.266 3.439 20 5 GGBDHM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000611343216 566912738 /nfs/dbraw/zinc/91/27/38/566912738.db2.gz ZKRVNZZNYJRZHV-UHFFFAOYSA-N -1 3 392.861 3.039 20 5 GGBDHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000491613444 566913637 /nfs/dbraw/zinc/91/36/37/566913637.db2.gz REMYLOUOVBDBSL-TZMCWYRMSA-N -1 3 392.474 3.085 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCc3cc(F)c(F)c(F)c32)cc1[N+](=O)[O-] ZINC000451960782 566914711 /nfs/dbraw/zinc/91/47/11/566914711.db2.gz FLGSNRBCPDEYIV-VIFPVBQESA-N -1 3 392.380 3.348 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1cc(Cl)cc(Cl)c1 ZINC000519064845 566918903 /nfs/dbraw/zinc/91/89/03/566918903.db2.gz URGLZJLCKSHQAW-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM CCC(C)(C)[N-]S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC ZINC000493572777 566951250 /nfs/dbraw/zinc/95/12/50/566951250.db2.gz MHFOSBFDDWNLCE-UHFFFAOYSA-N -1 3 395.275 3.141 20 5 GGBDHM COCCn1nc(C)c([N-]c2ncc([N+](=O)[O-])c(C)c2Br)c1C ZINC000544396003 566959980 /nfs/dbraw/zinc/95/99/80/566959980.db2.gz TVIDZBXUEMWKCX-UHFFFAOYSA-N -1 3 384.234 3.264 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1c(F)cc(F)c(F)c1F ZINC000429887070 566963208 /nfs/dbraw/zinc/96/32/08/566963208.db2.gz PMWKAFJVQYXNJG-UHFFFAOYSA-N -1 3 398.721 3.283 20 5 GGBDHM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c1 ZINC000429979283 566973045 /nfs/dbraw/zinc/97/30/45/566973045.db2.gz YNXYAEYNRNCMFF-QMMMGPOBSA-N -1 3 399.213 3.071 20 5 GGBDHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1 ZINC000544646949 566975706 /nfs/dbraw/zinc/97/57/06/566975706.db2.gz WBFLIFNRVWLJPP-UHFFFAOYSA-N -1 3 384.797 3.395 20 5 GGBDHM O=C(Nc1nnc(SCc2cccs2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000519894014 566977092 /nfs/dbraw/zinc/97/70/92/566977092.db2.gz QRYRMXHXOLYUBR-UHFFFAOYSA-N -1 3 395.447 3.153 20 5 GGBDHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000494325477 566988476 /nfs/dbraw/zinc/98/84/76/566988476.db2.gz COGMGUHBYWROTK-MRVPVSSYSA-N -1 3 388.339 3.142 20 5 GGBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)cs2)cc1C ZINC000520559084 567012225 /nfs/dbraw/zinc/01/22/25/567012225.db2.gz JJRJTEBPIUNDSR-UHFFFAOYSA-N -1 3 383.495 3.444 20 5 GGBDHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000521288208 567052719 /nfs/dbraw/zinc/05/27/19/567052719.db2.gz JAFQHVYKAFNULB-ZANVPECISA-N -1 3 377.260 3.214 20 5 GGBDHM CCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1[n-]n(C)cc1Br ZINC000565542274 567077615 /nfs/dbraw/zinc/07/76/15/567077615.db2.gz CXIOKPUVELTICE-UHFFFAOYSA-N -1 3 399.270 3.267 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1c(Cl)cccc1Cl ZINC000521774236 567079842 /nfs/dbraw/zinc/07/98/42/567079842.db2.gz UZACFPMTZAHSLW-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000431461822 567083607 /nfs/dbraw/zinc/08/36/07/567083607.db2.gz VVXULLZDFCJSNR-UHFFFAOYSA-N -1 3 395.600 3.333 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)c(F)c1 ZINC000521881367 567085129 /nfs/dbraw/zinc/08/51/29/567085129.db2.gz BFOISUAFSQVEQO-UHFFFAOYSA-N -1 3 382.438 3.337 20 5 GGBDHM O=[N+]([O-])c1sccc1NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000588068180 567111473 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ZINC000436172111 567410983 /nfs/dbraw/zinc/41/09/83/567410983.db2.gz MRSGIKZHRWNILX-CQSZACIVSA-N -1 3 388.804 3.053 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000436172109 567411350 /nfs/dbraw/zinc/41/13/50/567411350.db2.gz MRSGIKZHRWNILX-AWEZNQCLSA-N -1 3 388.804 3.053 20 5 GGBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000550179517 567432282 /nfs/dbraw/zinc/43/22/82/567432282.db2.gz UXJOPGSFADEOMX-UHFFFAOYSA-N -1 3 394.107 3.055 20 5 GGBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000550179517 567432287 /nfs/dbraw/zinc/43/22/87/567432287.db2.gz UXJOPGSFADEOMX-UHFFFAOYSA-N -1 3 394.107 3.055 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1Br ZINC000619466192 567456408 /nfs/dbraw/zinc/45/64/08/567456408.db2.gz FEWQJHHEMSCHRH-UHFFFAOYSA-N -1 3 387.211 3.167 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)c1ccc(Cl)cc1 ZINC000619481427 567458484 /nfs/dbraw/zinc/45/84/84/567458484.db2.gz PZYOQGZAFYSSHM-UHFFFAOYSA-N -1 3 384.841 3.470 20 5 GGBDHM C[C@H]([N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000619751930 567478585 /nfs/dbraw/zinc/47/85/85/567478585.db2.gz BVLUDUMICPRGNB-QMMMGPOBSA-N -1 3 391.268 3.458 20 5 GGBDHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000478786040 567483967 /nfs/dbraw/zinc/48/39/67/567483967.db2.gz ZDRBYBVYYGDOSR-OCCSQVGLSA-N -1 3 376.862 3.120 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)c[nH]2)c(Cl)c1 ZINC000551198060 567486508 /nfs/dbraw/zinc/48/65/08/567486508.db2.gz QMOKELCIWOFCHD-UHFFFAOYSA-N -1 3 398.853 3.178 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCC2(CCOCC2)CC1 ZINC000437325404 567492656 /nfs/dbraw/zinc/49/26/56/567492656.db2.gz QUPBHSNIXSBMOZ-UHFFFAOYSA-N -1 3 388.873 3.266 20 5 GGBDHM CCn1cc(S(=O)(=O)[N-]c2c(Cl)cc(F)cc2Cl)c([N+](=O)[O-])n1 ZINC000479141463 567507793 /nfs/dbraw/zinc/50/77/93/567507793.db2.gz OHUKWNCJWMVPPH-UHFFFAOYSA-N -1 3 383.188 3.058 20 5 GGBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594767010 567509220 /nfs/dbraw/zinc/50/92/20/567509220.db2.gz AJUOVSCELUYXAE-SECBINFHSA-N -1 3 377.344 3.152 20 5 GGBDHM CS[C@H](C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(C)(C)C ZINC000594773310 567510872 /nfs/dbraw/zinc/51/08/72/567510872.db2.gz QIOFNBCYOMYQFR-CQSZACIVSA-N -1 3 383.495 3.199 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000503997288 567518429 /nfs/dbraw/zinc/51/84/29/567518429.db2.gz BEOAKKATWQAVEJ-UHFFFAOYSA-N -1 3 384.841 3.168 20 5 GGBDHM COCc1csc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000594849740 567521360 /nfs/dbraw/zinc/52/13/60/567521360.db2.gz GGBYNVRYGXLDQX-UHFFFAOYSA-N -1 3 390.870 3.243 20 5 GGBDHM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000479420998 567534510 /nfs/dbraw/zinc/53/45/10/567534510.db2.gz JKQSSQONRHERBJ-FZMZJTMJSA-N -1 3 376.862 3.120 20 5 GGBDHM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000479421000 567535259 /nfs/dbraw/zinc/53/52/59/567535259.db2.gz JKQSSQONRHERBJ-RISCZKNCSA-N -1 3 376.862 3.120 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)c(Cl)c1 ZINC000504515440 567538837 /nfs/dbraw/zinc/53/88/37/567538837.db2.gz LPQUOPSTMMUKAW-CQSZACIVSA-N -1 3 382.825 3.440 20 5 GGBDHM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000479986189 567573222 /nfs/dbraw/zinc/57/32/22/567573222.db2.gz BTQRYINNFZQBNJ-BZNIZROVSA-N -1 3 384.841 3.303 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1CC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000479988461 567573601 /nfs/dbraw/zinc/57/36/01/567573601.db2.gz DEIGDUHOUQUEFE-UHFFFAOYSA-N -1 3 394.758 3.187 20 5 GGBDHM O=[N+]([O-])c1ccccc1N1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000505585121 567585341 /nfs/dbraw/zinc/58/53/41/567585341.db2.gz LINMBAWAUDFILA-UHFFFAOYSA-N -1 3 392.253 3.385 20 5 GGBDHM O=c1[n-]ccc(N2CCO[C@@H](c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000596091208 567608149 /nfs/dbraw/zinc/60/81/49/567608149.db2.gz YHYTXJKZWYNXNH-CYBMUJFWSA-N -1 3 380.198 3.036 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000552849816 567613592 /nfs/dbraw/zinc/61/35/92/567613592.db2.gz ZWKRCODHVQNLSL-UHFFFAOYSA-N -1 3 378.431 3.297 20 5 GGBDHM O=c1[n-]ccc(N2CCO[C@@H](c3ccc(F)c(Br)c3)C2)c1[N+](=O)[O-] ZINC000596197053 567615100 /nfs/dbraw/zinc/61/51/00/567615100.db2.gz QFHSEAYPBSODCR-CYBMUJFWSA-N -1 3 398.188 3.175 20 5 GGBDHM O=c1[n-]ccc(N[C@H]2CCN(c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000596214586 567615627 /nfs/dbraw/zinc/61/56/27/567615627.db2.gz WOMGDCDYJQGUQB-NSHDSACASA-N -1 3 379.214 3.149 20 5 GGBDHM Cc1ccc(C)c(S(=O)(=O)[N-]CC(=O)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000480735158 567625141 /nfs/dbraw/zinc/62/51/41/567625141.db2.gz WPFCBVHSIJYLPZ-UHFFFAOYSA-N -1 3 382.825 3.026 20 5 GGBDHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000481219891 567663616 /nfs/dbraw/zinc/66/36/16/567663616.db2.gz HNGMQSGLECJYQN-ZJUUUORDSA-N -1 3 377.260 3.072 20 5 GGBDHM COc1ccc(Br)c(CNCc2cc(OC)c([O-])cc2[N+](=O)[O-])c1 ZINC000507901038 567715144 /nfs/dbraw/zinc/71/51/44/567715144.db2.gz DHVDPLBMJSGDKP-UHFFFAOYSA-N -1 3 397.225 3.370 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000507960504 567718571 /nfs/dbraw/zinc/71/85/71/567718571.db2.gz DZYMIXKOFAURGV-UHFFFAOYSA-N -1 3 385.239 3.144 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000573996467 567748217 /nfs/dbraw/zinc/74/82/17/567748217.db2.gz RGBULKIAAXCFDW-HNNXBMFYSA-N -1 3 384.841 3.223 20 5 GGBDHM C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000461859731 567750362 /nfs/dbraw/zinc/75/03/62/567750362.db2.gz UKCQCEZDWRMLIU-UWVGGRQHSA-N -1 3 377.260 3.072 20 5 GGBDHM C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000461859733 567750542 /nfs/dbraw/zinc/75/05/42/567750542.db2.gz UKCQCEZDWRMLIU-ZJUUUORDSA-N -1 3 377.260 3.072 20 5 GGBDHM C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000461859730 567751314 /nfs/dbraw/zinc/75/13/14/567751314.db2.gz UKCQCEZDWRMLIU-NXEZZACHSA-N -1 3 377.260 3.072 20 5 GGBDHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000554910940 567755169 /nfs/dbraw/zinc/75/51/69/567755169.db2.gz OWKLPFFMYNLIGV-GHMZBOCLSA-N -1 3 376.862 3.120 20 5 GGBDHM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000462093877 567769561 /nfs/dbraw/zinc/76/95/61/567769561.db2.gz SUZHVJMZRCCPBD-UHFFFAOYSA-N -1 3 380.369 3.196 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C3CC3)CCC2)c(C(F)(F)F)c1 ZINC000443735869 567773624 /nfs/dbraw/zinc/77/36/24/567773624.db2.gz YOOGZFZHWLJGAL-UHFFFAOYSA-N -1 3 378.372 3.472 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc2c(n1)CCCC2 ZINC000443932655 567779929 /nfs/dbraw/zinc/77/99/29/567779929.db2.gz ACFOCGYMQDKRQW-UHFFFAOYSA-N -1 3 381.841 3.001 20 5 GGBDHM Cc1sc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)c1C ZINC000737564523 598830137 /nfs/dbraw/zinc/83/01/37/598830137.db2.gz VKNYZVQVTJYPCL-UHFFFAOYSA-N -1 3 386.437 3.370 20 5 GGBDHM Cc1sc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)c1C ZINC000737564523 598830139 /nfs/dbraw/zinc/83/01/39/598830139.db2.gz VKNYZVQVTJYPCL-UHFFFAOYSA-N -1 3 386.437 3.370 20 5 GGBDHM O=[N+]([O-])c1cccc(-c2noc(CSc3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000738366888 598860370 /nfs/dbraw/zinc/86/03/70/598860370.db2.gz JSUWPWKZUKPAIC-UHFFFAOYSA-N -1 3 381.377 3.117 20 5 GGBDHM O=[N+]([O-])c1cccc(-c2noc(CSc3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000738366888 598860371 /nfs/dbraw/zinc/86/03/71/598860371.db2.gz JSUWPWKZUKPAIC-UHFFFAOYSA-N -1 3 381.377 3.117 20 5 GGBDHM O=[N+]([O-])c1cnc(Nc2cccc(N3CCCCCC3)c2)c(-c2nnn[n-]2)c1 ZINC000738374496 598975671 /nfs/dbraw/zinc/97/56/71/598975671.db2.gz PHASEQQKNGWKAC-UHFFFAOYSA-N -1 3 380.412 3.294 20 5 GGBDHM O=[N+]([O-])c1cnc(Nc2cccc(N3CCCCCC3)c2)c(-c2nn[n-]n2)c1 ZINC000738374496 598975673 /nfs/dbraw/zinc/97/56/73/598975673.db2.gz PHASEQQKNGWKAC-UHFFFAOYSA-N -1 3 380.412 3.294 20 5 GGBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2c(Cl)cccc2Cl)c(-c2nnn[n-]2)c1 ZINC000738369544 598977203 /nfs/dbraw/zinc/97/72/03/598977203.db2.gz IICBWCLMRLDYHK-CYBMUJFWSA-N -1 3 395.206 3.227 20 5 GGBDHM O=[N+]([O-])c1ccc(NC[C@@H](O)c2c(Cl)cccc2Cl)c(-c2nn[n-]n2)c1 ZINC000738369544 598977205 /nfs/dbraw/zinc/97/72/05/598977205.db2.gz IICBWCLMRLDYHK-CYBMUJFWSA-N -1 3 395.206 3.227 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3C[C@H]3Cc3ccccc3)cc(-c3nnn[n-]3)c2c1 ZINC000823644738 599034605 /nfs/dbraw/zinc/03/46/05/599034605.db2.gz LFZVANPHLTZWJW-FZKQIMNGSA-N -1 3 387.403 3.366 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@@H]3C[C@H]3Cc3ccccc3)cc(-c3nn[n-]n3)c2c1 ZINC000823644738 599034608 /nfs/dbraw/zinc/03/46/08/599034608.db2.gz LFZVANPHLTZWJW-FZKQIMNGSA-N -1 3 387.403 3.366 20 5 GGBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823634999 599049482 /nfs/dbraw/zinc/04/94/82/599049482.db2.gz PITBLEHNLQYHTD-UHFFFAOYSA-N -1 3 394.313 3.285 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1nc(-c2cccc(Cl)c2)no1 ZINC000738360858 599059317 /nfs/dbraw/zinc/05/93/17/599059317.db2.gz ZZWWFVKNUWYHTG-UHFFFAOYSA-N -1 3 398.770 3.090 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1nc(-c2cccc(Cl)c2)no1 ZINC000738360858 599059319 /nfs/dbraw/zinc/05/93/19/599059319.db2.gz ZZWWFVKNUWYHTG-UHFFFAOYSA-N -1 3 398.770 3.090 20 5 GGBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c(Br)c1 ZINC000823639837 599071560 /nfs/dbraw/zinc/07/15/60/599071560.db2.gz IKQTZEWABLSRJQ-UHFFFAOYSA-N -1 3 393.176 3.289 20 5 GGBDHM O=[N+]([O-])c1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c(Br)c1 ZINC000823639837 599071564 /nfs/dbraw/zinc/07/15/64/599071564.db2.gz IKQTZEWABLSRJQ-UHFFFAOYSA-N -1 3 393.176 3.289 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](CSc3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000823640097 599088690 /nfs/dbraw/zinc/08/86/90/599088690.db2.gz SHUXNHVHKOBPJB-CYBMUJFWSA-N -1 3 382.449 3.394 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CC[C@@H](CSc3ccccc3)C2)c(-c2nn[n-]n2)c1 ZINC000823640097 599088693 /nfs/dbraw/zinc/08/86/93/599088693.db2.gz SHUXNHVHKOBPJB-CYBMUJFWSA-N -1 3 382.449 3.394 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N3CCC(C(F)(F)F)CC3)cc(-c3nnn[n-]3)c2c1 ZINC000823645963 599088783 /nfs/dbraw/zinc/08/87/83/599088783.db2.gz YGKZGGZPWCHMIM-UHFFFAOYSA-N -1 3 393.329 3.102 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N3CCC(C(F)(F)F)CC3)cc(-c3nn[n-]n3)c2c1 ZINC000823645963 599088784 /nfs/dbraw/zinc/08/87/84/599088784.db2.gz YGKZGGZPWCHMIM-UHFFFAOYSA-N -1 3 393.329 3.102 20 5 GGBDHM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000820926636 599095825 /nfs/dbraw/zinc/09/58/25/599095825.db2.gz UMWSIENEGCSBGO-ZDUSSCGKSA-N -1 3 382.380 3.109 20 5 GGBDHM CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000820926636 599095827 /nfs/dbraw/zinc/09/58/27/599095827.db2.gz UMWSIENEGCSBGO-ZDUSSCGKSA-N -1 3 382.380 3.109 20 5 GGBDHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822233067 599108332 /nfs/dbraw/zinc/10/83/32/599108332.db2.gz HMNRTNBQQRBDTH-RHSMWYFYSA-N -1 3 395.423 3.058 20 5 GGBDHM Cc1ccc([C@H]2OCCC[C@@H]2CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822233067 599108334 /nfs/dbraw/zinc/10/83/34/599108334.db2.gz HMNRTNBQQRBDTH-RHSMWYFYSA-N -1 3 395.423 3.058 20 5 GGBDHM COc1ccc(C=C(Cl)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1-c1nnn[n-]1 ZINC000737082680 599153324 /nfs/dbraw/zinc/15/33/24/599153324.db2.gz LCKZBFNEWBXAIZ-KPKJPENVSA-N -1 3 397.782 3.397 20 5 GGBDHM COc1ccc(C=C(Cl)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1-c1nn[n-]n1 ZINC000737082680 599153328 /nfs/dbraw/zinc/15/33/28/599153328.db2.gz LCKZBFNEWBXAIZ-KPKJPENVSA-N -1 3 397.782 3.397 20 5 GGBDHM O=[N+]([O-])c1cc(Br)ccc1OCc1ccccc1-c1nnn[n-]1 ZINC000738359589 599174492 /nfs/dbraw/zinc/17/44/92/599174492.db2.gz KFUIFXUCVXOMKM-UHFFFAOYSA-N -1 3 376.170 3.116 20 5 GGBDHM O=[N+]([O-])c1cc(Br)ccc1OCc1ccccc1-c1nn[n-]n1 ZINC000738359589 599174494 /nfs/dbraw/zinc/17/44/94/599174494.db2.gz KFUIFXUCVXOMKM-UHFFFAOYSA-N -1 3 376.170 3.116 20 5 GGBDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000735830519 599184031 /nfs/dbraw/zinc/18/40/31/599184031.db2.gz HMQYZVDWQMCCTC-UHFFFAOYSA-N -1 3 394.435 3.002 20 5 GGBDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000735830519 599184033 /nfs/dbraw/zinc/18/40/33/599184033.db2.gz HMQYZVDWQMCCTC-UHFFFAOYSA-N -1 3 394.435 3.002 20 5 GGBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737803288 599186397 /nfs/dbraw/zinc/18/63/97/599186397.db2.gz SFOLMQUEGWTDMY-VURMDHGXSA-N -1 3 385.767 3.185 20 5 GGBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000737803288 599186399 /nfs/dbraw/zinc/18/63/99/599186399.db2.gz SFOLMQUEGWTDMY-VURMDHGXSA-N -1 3 385.767 3.185 20 5 GGBDHM Cc1c(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822091744 607280175 /nfs/dbraw/zinc/28/01/75/607280175.db2.gz SEOVZDCQQXHNEY-UHFFFAOYSA-N -1 3 381.396 3.140 20 5 GGBDHM Cc1c(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822091744 607280176 /nfs/dbraw/zinc/28/01/76/607280176.db2.gz SEOVZDCQQXHNEY-UHFFFAOYSA-N -1 3 381.396 3.140 20 5 GGBDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000736488908 599275301 /nfs/dbraw/zinc/27/53/01/599275301.db2.gz UAWMYWFOIVJHLQ-UHFFFAOYSA-N -1 3 381.396 3.158 20 5 GGBDHM C[C@@H](OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736159220 598331022 /nfs/dbraw/zinc/33/10/22/598331022.db2.gz LFYLBYCHLMKDMY-SNVBAGLBSA-N -1 3 378.348 3.174 20 5 GGBDHM C[C@@H](OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736159220 598331024 /nfs/dbraw/zinc/33/10/24/598331024.db2.gz LFYLBYCHLMKDMY-SNVBAGLBSA-N -1 3 378.348 3.174 20 5 GGBDHM C[C@H](OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nnn[n-]2)c1 ZINC000736159218 598331288 /nfs/dbraw/zinc/33/12/88/598331288.db2.gz LFYLBYCHLMKDMY-JTQLQIEISA-N -1 3 378.348 3.174 20 5 GGBDHM C[C@H](OC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc(-c2nn[n-]n2)c1 ZINC000736159218 598331290 /nfs/dbraw/zinc/33/12/90/598331290.db2.gz LFYLBYCHLMKDMY-JTQLQIEISA-N -1 3 378.348 3.174 20 5 GGBDHM O=[N+]([O-])c1ccc(Nc2cnn(-c3ccccc3Cl)c2)c(-c2nnn[n-]2)c1 ZINC000738367605 598388671 /nfs/dbraw/zinc/38/86/71/598388671.db2.gz WGEWMVCSESNWJM-UHFFFAOYSA-N -1 3 382.771 3.358 20 5 GGBDHM O=[N+]([O-])c1ccc(Nc2cnn(-c3ccccc3Cl)c2)c(-c2nn[n-]n2)c1 ZINC000738367605 598388673 /nfs/dbraw/zinc/38/86/73/598388673.db2.gz WGEWMVCSESNWJM-UHFFFAOYSA-N -1 3 382.771 3.358 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1NCc1ccnc(N2CCCCCC2)c1 ZINC000738358017 598427889 /nfs/dbraw/zinc/42/78/89/598427889.db2.gz JWEZSPVGIHIPLU-UHFFFAOYSA-N -1 3 394.439 3.162 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1NCc1ccnc(N2CCCCCC2)c1 ZINC000738358017 598427892 /nfs/dbraw/zinc/42/78/92/598427892.db2.gz JWEZSPVGIHIPLU-UHFFFAOYSA-N -1 3 394.439 3.162 20 5 GGBDHM C[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000736157421 598482790 /nfs/dbraw/zinc/48/27/90/598482790.db2.gz CESKMJAFYSSCNC-LBPRGKRZSA-N -1 3 392.375 3.034 20 5 GGBDHM C[C@H](OC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000736157421 598482791 /nfs/dbraw/zinc/48/27/91/598482791.db2.gz CESKMJAFYSSCNC-LBPRGKRZSA-N -1 3 392.375 3.034 20 5 GGBDHM CCc1c(C)sc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000736669301 598518692 /nfs/dbraw/zinc/51/86/92/598518692.db2.gz CPPLOOBVRICXMQ-TWGQIWQCSA-N -1 3 384.421 3.359 20 5 GGBDHM CCc1c(C)sc(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000736669301 598518694 /nfs/dbraw/zinc/51/86/94/598518694.db2.gz CPPLOOBVRICXMQ-TWGQIWQCSA-N -1 3 384.421 3.359 20 5 GGBDHM CCc1c(C)sc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000736676923 598569891 /nfs/dbraw/zinc/56/98/91/598569891.db2.gz VZMBHUGYVSWATA-UHFFFAOYSA-N -1 3 376.373 3.099 20 5 GGBDHM CCc1c(C)sc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000736676923 598569893 /nfs/dbraw/zinc/56/98/93/598569893.db2.gz VZMBHUGYVSWATA-UHFFFAOYSA-N -1 3 376.373 3.099 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737116901 598576199 /nfs/dbraw/zinc/57/61/99/598576199.db2.gz TZFGTRYQSNJZBF-UHFFFAOYSA-N -1 3 394.313 3.414 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737116901 598576201 /nfs/dbraw/zinc/57/62/01/598576201.db2.gz TZFGTRYQSNJZBF-UHFFFAOYSA-N -1 3 394.313 3.414 20 5 GGBDHM Cc1c(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000737219944 598648357 /nfs/dbraw/zinc/64/83/57/598648357.db2.gz UMZDETCVMPSYCC-UHFFFAOYSA-N -1 3 396.407 3.271 20 5 GGBDHM Cc1c(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000737219944 598648359 /nfs/dbraw/zinc/64/83/59/598648359.db2.gz UMZDETCVMPSYCC-UHFFFAOYSA-N -1 3 396.407 3.271 20 5 GGBDHM O=[N+]([O-])c1cccc(OCCSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000738370600 598697137 /nfs/dbraw/zinc/69/71/37/598697137.db2.gz WLOJKHMTDTXHNC-UHFFFAOYSA-N -1 3 375.385 3.226 20 5 GGBDHM O=[N+]([O-])c1cccc(OCCSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000738370600 598697139 /nfs/dbraw/zinc/69/71/39/598697139.db2.gz WLOJKHMTDTXHNC-UHFFFAOYSA-N -1 3 375.385 3.226 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737409170 598756194 /nfs/dbraw/zinc/75/61/94/598756194.db2.gz BIXDGUNLUYMJIE-UHFFFAOYSA-N -1 3 380.408 3.131 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000738357625 598756301 /nfs/dbraw/zinc/75/63/01/598756301.db2.gz GQVXYBRFQDQHKM-MRXNPFEDSA-N -1 3 386.799 3.006 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000738357625 598756302 /nfs/dbraw/zinc/75/63/02/598756302.db2.gz GQVXYBRFQDQHKM-MRXNPFEDSA-N -1 3 386.799 3.006 20 5 GGBDHM O=[N+]([O-])c1cnc(NCCSCc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000738374967 599399210 /nfs/dbraw/zinc/39/92/10/599399210.db2.gz VLGRPYKBGYWWKQ-UHFFFAOYSA-N -1 3 391.844 3.169 20 5 GGBDHM O=[N+]([O-])c1cnc(NCCSCc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000738374967 599399213 /nfs/dbraw/zinc/39/92/13/599399213.db2.gz VLGRPYKBGYWWKQ-UHFFFAOYSA-N -1 3 391.844 3.169 20 5 GGBDHM CC(=O)N(Cc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000735460520 599440411 /nfs/dbraw/zinc/44/04/11/599440411.db2.gz IICRVGJACMSDBW-UHFFFAOYSA-N -1 3 393.407 3.029 20 5 GGBDHM CC(=O)N(Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1)C1CC1 ZINC000735460520 599440413 /nfs/dbraw/zinc/44/04/13/599440413.db2.gz IICRVGJACMSDBW-UHFFFAOYSA-N -1 3 393.407 3.029 20 5 GGBDHM CO[C@H](CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000821677496 599470022 /nfs/dbraw/zinc/47/00/22/599470022.db2.gz YISALORKPDSXRC-QGZVFWFLSA-N -1 3 391.391 3.123 20 5 GGBDHM CO[C@H](CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1)c1ccccc1 ZINC000821677496 599470023 /nfs/dbraw/zinc/47/00/23/599470023.db2.gz YISALORKPDSXRC-QGZVFWFLSA-N -1 3 391.391 3.123 20 5 GGBDHM O=[N+]([O-])c1ccc(OCCNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1 ZINC000738368030 599526085 /nfs/dbraw/zinc/52/60/85/599526085.db2.gz YUKUQJRAVCXXFQ-UHFFFAOYSA-N -1 3 394.313 3.285 20 5 GGBDHM COc1ccc(-c2ccc(CN[C@@H]3CCCN(C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000737909916 599859529 /nfs/dbraw/zinc/85/95/29/599859529.db2.gz MXTHXYDZWFJAKD-GFCCVEGCSA-N -1 3 375.381 3.095 20 5 GGBDHM CN(C)[C@@H](CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000737358052 600075294 /nfs/dbraw/zinc/07/52/94/600075294.db2.gz HLMNBRCKNQXDOO-HNNXBMFYSA-N -1 3 392.343 3.055 20 5 GGBDHM O=C([O-])c1cc(C(=O)N(CCN2CCCC2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000738669459 600530676 /nfs/dbraw/zinc/53/06/76/600530676.db2.gz OPFGDADKDPHRJL-UHFFFAOYSA-N -1 3 383.404 3.036 20 5 GGBDHM O=C([O-])c1cccc(OCCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000578199475 600849235 /nfs/dbraw/zinc/84/92/35/600849235.db2.gz JBJYNQOORPKIDS-UHFFFAOYSA-N -1 3 386.404 3.215 20 5 GGBDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000826055031 601201807 /nfs/dbraw/zinc/20/18/07/601201807.db2.gz UTMYSOAKOKAAHV-APPDUMDISA-N -1 3 391.811 3.238 20 5 GGBDHM Cc1cc(N2CCN(CCc3cccs3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571686391 602314512 /nfs/dbraw/zinc/31/45/12/602314512.db2.gz AMWWXPHULBZXLK-UHFFFAOYSA-N -1 3 375.450 3.028 20 5 GGBDHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826453821 607619231 /nfs/dbraw/zinc/61/92/31/607619231.db2.gz AUEHVTJLNNXILO-UHFFFAOYSA-N -1 3 397.370 3.111 20 5 GGBDHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000826453821 607619233 /nfs/dbraw/zinc/61/92/33/607619233.db2.gz AUEHVTJLNNXILO-UHFFFAOYSA-N -1 3 397.370 3.111 20 5 GGBDHM C[C@H]1CN(CCCCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000828449313 604776217 /nfs/dbraw/zinc/77/62/17/604776217.db2.gz JXXSGBQWXXJWHE-RYUDHWBXSA-N -1 3 385.848 3.248 20 5 GGBDHM Cn1cnc([N+](=O)[O-])c1Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822698668 606242440 /nfs/dbraw/zinc/24/24/40/606242440.db2.gz AIRIXLIBLGYGNF-UHFFFAOYSA-N -1 3 379.336 3.093 20 5 GGBDHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000823071004 606326031 /nfs/dbraw/zinc/32/60/31/606326031.db2.gz XBBDMQXCHHSNOZ-UHFFFAOYSA-N -1 3 390.812 3.159 20 5 GGBDHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000823071004 606326033 /nfs/dbraw/zinc/32/60/33/606326033.db2.gz XBBDMQXCHHSNOZ-UHFFFAOYSA-N -1 3 390.812 3.159 20 5 GGBDHM Cc1ccc([C@@H](C)NC(=S)Nc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822229050 606417287 /nfs/dbraw/zinc/41/72/87/606417287.db2.gz LEHCPZDEJJRRAC-LLVKDONJSA-N -1 3 383.437 3.131 20 5 GGBDHM Cc1ccc([C@@H](C)NC(=S)Nc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822229050 606417288 /nfs/dbraw/zinc/41/72/88/606417288.db2.gz LEHCPZDEJJRRAC-LLVKDONJSA-N -1 3 383.437 3.131 20 5 GGBDHM Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000822229177 606440738 /nfs/dbraw/zinc/44/07/38/606440738.db2.gz OKIHFPWYTSXMIW-OLZOCXBDSA-N -1 3 395.423 3.205 20 5 GGBDHM Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000822229177 606440740 /nfs/dbraw/zinc/44/07/40/606440740.db2.gz OKIHFPWYTSXMIW-OLZOCXBDSA-N -1 3 395.423 3.205 20 5 GGBDHM Cc1ccccc1[C@@H]1CN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000822352161 606476470 /nfs/dbraw/zinc/47/64/70/606476470.db2.gz VPLAUHHMOIITCS-ACJLOTCBSA-N -1 3 380.408 3.050 20 5 GGBDHM Cc1ccccc1[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000822352161 606476472 /nfs/dbraw/zinc/47/64/72/606476472.db2.gz VPLAUHHMOIITCS-ACJLOTCBSA-N -1 3 380.408 3.050 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(NCC3(CCO)CCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000823643881 606610131 /nfs/dbraw/zinc/61/01/31/606610131.db2.gz DROPVNKUCRRWJO-UHFFFAOYSA-N -1 3 397.439 3.068 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(NCC3(CCO)CCCCC3)cc(-c3nn[n-]n3)c2c1 ZINC000823643881 606610132 /nfs/dbraw/zinc/61/01/32/606610132.db2.gz DROPVNKUCRRWJO-UHFFFAOYSA-N -1 3 397.439 3.068 20 5 GGBDHM O=[N+]([O-])c1cnc(N2CCC[C@]3(CCCc4ccccc43)C2)c(-c2nnn[n-]2)c1 ZINC000823651447 606610361 /nfs/dbraw/zinc/61/03/61/606610361.db2.gz JTSIBQSMNAIJEV-HXUWFJFHSA-N -1 3 391.435 3.044 20 5 GGBDHM O=[N+]([O-])c1cnc(N2CCC[C@]3(CCCc4ccccc43)C2)c(-c2nn[n-]n2)c1 ZINC000823651447 606610363 /nfs/dbraw/zinc/61/03/63/606610363.db2.gz JTSIBQSMNAIJEV-HXUWFJFHSA-N -1 3 391.435 3.044 20 5 GGBDHM COC(=O)c1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc(C)c1[N+](=O)[O-] ZINC000821668004 606787160 /nfs/dbraw/zinc/78/71/60/606787160.db2.gz KONFIZJULXMFJY-NSHDSACASA-N -1 3 382.380 3.043 20 5 GGBDHM COC(=O)c1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc(C)c1[N+](=O)[O-] ZINC000821668004 606787161 /nfs/dbraw/zinc/78/71/61/606787161.db2.gz KONFIZJULXMFJY-NSHDSACASA-N -1 3 382.380 3.043 20 5 GGBDHM O=[N+]([O-])c1cnc(Sc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000823651697 606945773 /nfs/dbraw/zinc/94/57/73/606945773.db2.gz NUTPVIVWCBKUFG-UHFFFAOYSA-N -1 3 379.199 3.084 20 5 GGBDHM O=[N+]([O-])c1cnc(Sc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000823651697 606945774 /nfs/dbraw/zinc/94/57/74/606945774.db2.gz NUTPVIVWCBKUFG-UHFFFAOYSA-N -1 3 379.199 3.084 20 5 GGBDHM 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3.256 20 5 GGBDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826401679 609340839 /nfs/dbraw/zinc/34/08/39/609340839.db2.gz DPBLXTGAEFZQAI-VURMDHGXSA-N -1 3 385.767 3.185 20 5 GGBDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000826401679 609340841 /nfs/dbraw/zinc/34/08/41/609340841.db2.gz DPBLXTGAEFZQAI-VURMDHGXSA-N -1 3 385.767 3.185 20 5 GGBDHM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942288 609502839 /nfs/dbraw/zinc/50/28/39/609502839.db2.gz AOWBWKQTMWEKOW-XSNHNAGMSA-N -1 3 378.392 3.056 20 5 GGBDHM CC(=CC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942288 609502842 /nfs/dbraw/zinc/50/28/42/609502842.db2.gz AOWBWKQTMWEKOW-XSNHNAGMSA-N -1 3 378.392 3.056 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3c([N+](=O)[O-])ncn3C)cc2)cc1 ZINC000008318970 1398822796 /nfs/dbraw/zinc/82/27/96/1398822796.db2.gz GROGYROYQFKRTD-UHFFFAOYSA-N -1 3 388.405 3.230 20 5 GGBDHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000024890806 1399686066 /nfs/dbraw/zinc/68/60/66/1399686066.db2.gz QTJUTEJIRLOFOW-UHFFFAOYSA-N -1 3 391.430 3.433 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccccn2)c(F)c1 ZINC000055972687 1407154337 /nfs/dbraw/zinc/15/43/37/1407154337.db2.gz UBJZBWBBUSOZTB-GOSISDBHSA-N -1 3 387.392 3.197 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCOCCc2ccccc2)c(F)c1 ZINC000056110167 1407209056 /nfs/dbraw/zinc/20/90/56/1407209056.db2.gz NDKCYWGDCTWEAD-UHFFFAOYSA-N -1 3 396.440 3.052 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)c(F)c1 ZINC000056137553 1407221685 /nfs/dbraw/zinc/22/16/85/1407221685.db2.gz LEUNSJLLSAKYCX-DOTOQJQBSA-N -1 3 398.387 3.072 20 5 GGBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)n1 ZINC000049304458 1405362450 /nfs/dbraw/zinc/36/24/50/1405362450.db2.gz CYTQOGMPIRRZRS-UHFFFAOYSA-N -1 3 378.388 3.468 20 5 GGBDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050603397 1405611335 /nfs/dbraw/zinc/61/13/35/1405611335.db2.gz CLJBNNAYUBZMTN-UHFFFAOYSA-N -1 3 384.299 3.108 20 5 GGBDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050603397 1405611345 /nfs/dbraw/zinc/61/13/45/1405611345.db2.gz CLJBNNAYUBZMTN-UHFFFAOYSA-N -1 3 384.299 3.108 20 5 GGBDHM O=C(C[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCCCC1 ZINC000058543826 1407843183 /nfs/dbraw/zinc/84/31/83/1407843183.db2.gz YQFIZXBZOOOUEI-UHFFFAOYSA-N -1 3 390.318 3.383 20 5 GGBDHM O=C(Nc1ccc(CCN2CCSCC2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000061637091 1408157057 /nfs/dbraw/zinc/15/70/57/1408157057.db2.gz VJNBBMYGVLZYIY-UHFFFAOYSA-N -1 3 387.461 3.144 20 5 GGBDHM O=C(c1ccccc1[O-])N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000066460512 1408842352 /nfs/dbraw/zinc/84/23/52/1408842352.db2.gz ZTXATPXYKMHMSZ-UHFFFAOYSA-N -1 3 395.337 3.282 20 5 GGBDHM CCC(CC)c1nnc([N-]C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)s1 ZINC000067135555 1409017996 /nfs/dbraw/zinc/01/79/96/1409017996.db2.gz FWTJFLFGXHYDLS-UHFFFAOYSA-N -1 3 387.425 3.183 20 5 GGBDHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)nnn1-c1cccc2cccnc21 ZINC000067154098 1409024451 /nfs/dbraw/zinc/02/44/51/1409024451.db2.gz ZLANQBANOHEIOY-UHFFFAOYSA-N -1 3 392.350 3.424 20 5 GGBDHM O=C([N-]c1nnc(-c2ccsc2)s1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067166513 1409030452 /nfs/dbraw/zinc/03/04/52/1409030452.db2.gz MAENQEJJXAUGPM-UHFFFAOYSA-N -1 3 399.417 3.008 20 5 GGBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(OC)ccc3[N+](=O)[O-])c2)n1 ZINC000067549388 1409156684 /nfs/dbraw/zinc/15/66/84/1409156684.db2.gz KKMKONMTWQDAFI-UHFFFAOYSA-N -1 3 394.387 3.168 20 5 GGBDHM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000108308959 1411469957 /nfs/dbraw/zinc/46/99/57/1411469957.db2.gz VTHCDWZPDFFQAT-UHFFFAOYSA-N -1 3 398.379 3.305 20 5 GGBDHM 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3 393.165 3.436 20 5 GGBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1C1N=NC(=S)N1C1CC1 ZINC000264289714 1434093335 /nfs/dbraw/zinc/09/33/35/1434093335.db2.gz WSEXEMLHEYABNE-UHFFFAOYSA-N -1 3 392.422 3.087 20 5 GGBDHM CCOc1cc([N-]C(=O)c2csc(NC(C)=O)n2)c([N+](=O)[O-])cc1OCC ZINC000266012167 1434296168 /nfs/dbraw/zinc/29/61/68/1434296168.db2.gz OUYHZZSRPXAVEJ-UHFFFAOYSA-N -1 3 394.409 3.059 20 5 GGBDHM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000271655727 1434842337 /nfs/dbraw/zinc/84/23/37/1434842337.db2.gz ISISEMPIEQTDCX-MFKMUULPSA-N -1 3 396.387 3.096 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000273392529 1434985759 /nfs/dbraw/zinc/98/57/59/1434985759.db2.gz DUDWUWCJRJRQQI-BBRMVZONSA-N -1 3 398.387 3.072 20 5 GGBDHM O=[N+]([O-])c1cccc(-c2nc(C=Cc3ccc(-c4nnn[n-]4)cn3)cs2)c1 ZINC000738368053 945262958 /nfs/dbraw/zinc/26/29/58/945262958.db2.gz ZKXMNFXKKMRYDD-VOTSOKGWSA-N -1 3 377.389 3.464 20 5 GGBDHM O=[N+]([O-])c1cccc(-c2nc(C=Cc3ccc(-c4nn[n-]n4)cn3)cs2)c1 ZINC000738368053 945262963 /nfs/dbraw/zinc/26/29/63/945262963.db2.gz ZKXMNFXKKMRYDD-VOTSOKGWSA-N -1 3 377.389 3.464 20 5 GGBDHM C[C@@H]1CN(c2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)Cc2ccccc21 ZINC000736291271 944788675 /nfs/dbraw/zinc/78/86/75/944788675.db2.gz UXDKVQXXOHBZKA-GFCCVEGCSA-N -1 3 387.403 3.447 20 5 GGBDHM C[C@@H]1CN(c2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)Cc2ccccc21 ZINC000736291271 944788681 /nfs/dbraw/zinc/78/86/81/944788681.db2.gz UXDKVQXXOHBZKA-GFCCVEGCSA-N -1 3 387.403 3.447 20 5 GGBDHM CCS[C@@H]1CCC[C@H]1Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821456952 945700107 /nfs/dbraw/zinc/70/01/07/945700107.db2.gz SZGKNSKDIUIENC-HUUCEWRRSA-N -1 3 385.453 3.409 20 5 GGBDHM CCS[C@@H]1CCC[C@H]1Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821456952 945700115 /nfs/dbraw/zinc/70/01/15/945700115.db2.gz SZGKNSKDIUIENC-HUUCEWRRSA-N -1 3 385.453 3.409 20 5 GGBDHM CC(=O)c1cccc(CNc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC001573555428 946909531 /nfs/dbraw/zinc/90/95/31/946909531.db2.gz LMEHXBAGKIXKMQ-UHFFFAOYSA-N -1 3 389.375 3.138 20 5 GGBDHM CC(=O)c1cccc(CNc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)c1 ZINC001573555428 946909538 /nfs/dbraw/zinc/90/95/38/946909538.db2.gz LMEHXBAGKIXKMQ-UHFFFAOYSA-N -1 3 389.375 3.138 20 5 GGBDHM Cc1cc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)c2cccc([N+](=O)[O-])c2n1 ZINC000826268515 947775448 /nfs/dbraw/zinc/77/54/48/947775448.db2.gz ASIJSTVJWKFMJK-UHFFFAOYSA-N -1 3 375.392 3.268 20 5 GGBDHM Cc1cc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)c2cccc([N+](=O)[O-])c2n1 ZINC000826268515 947775452 /nfs/dbraw/zinc/77/54/52/947775452.db2.gz ASIJSTVJWKFMJK-UHFFFAOYSA-N -1 3 375.392 3.268 20 5 GGBDHM O=C(C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000826405005 948232488 /nfs/dbraw/zinc/23/24/88/948232488.db2.gz SFPZMWDRRHOYGG-AWEZNQCLSA-N -1 3 396.382 3.156 20 5 GGBDHM O=C(C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000826405005 948232493 /nfs/dbraw/zinc/23/24/93/948232493.db2.gz SFPZMWDRRHOYGG-AWEZNQCLSA-N -1 3 396.382 3.156 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000826497688 948412040 /nfs/dbraw/zinc/41/20/40/948412040.db2.gz QCUUFKNGCQFUST-CYBMUJFWSA-N -1 3 385.815 3.119 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1N[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000826497688 948412050 /nfs/dbraw/zinc/41/20/50/948412050.db2.gz QCUUFKNGCQFUST-CYBMUJFWSA-N -1 3 385.815 3.119 20 5 GGBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2)c(-c2nnn[n-]2)c1 ZINC000826499099 948413640 /nfs/dbraw/zinc/41/36/40/948413640.db2.gz VVJXQGUQKYPDKJ-GFCCVEGCSA-N -1 3 385.815 3.119 20 5 GGBDHM O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2)c(-c2nn[n-]n2)c1 ZINC000826499099 948413644 /nfs/dbraw/zinc/41/36/44/948413644.db2.gz VVJXQGUQKYPDKJ-GFCCVEGCSA-N -1 3 385.815 3.119 20 5 GGBDHM CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)cc1[N+](=O)[O-] ZINC001573881987 950763120 /nfs/dbraw/zinc/76/31/20/950763120.db2.gz MURKJHYSQJCECJ-UHFFFAOYSA-N -1 3 398.398 3.142 20 5 GGBDHM CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)cc1[N+](=O)[O-] ZINC001573881987 950763136 /nfs/dbraw/zinc/76/31/36/950763136.db2.gz MURKJHYSQJCECJ-UHFFFAOYSA-N -1 3 398.398 3.142 20 5 GGBDHM O=C([O-])[C@@H](Cc1ccccc1)NCc1c(Br)cccc1[N+](=O)[O-] ZINC001595159600 952188609 /nfs/dbraw/zinc/18/86/09/952188609.db2.gz VERXPHLYZOENQW-CQSZACIVSA-N -1 3 379.210 3.143 20 5 GGBDHM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2CCC[C@]2(C)C(=O)[O-])cc1OC ZINC001589458859 954855376 /nfs/dbraw/zinc/85/53/76/954855376.db2.gz NUTWVBVXZKAWOX-BFUOFWGJSA-N -1 3 380.441 3.467 20 5 GGBDHM C[C@@](CNCc1c(Br)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001603193530 972298510 /nfs/dbraw/zinc/29/85/10/972298510.db2.gz XNFOSUYULDAHBG-KRWDZBQOSA-N -1 3 393.237 3.489 20 5 GGBDHM O=C([O-])[C@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1Br ZINC001595192840 970324417 /nfs/dbraw/zinc/32/44/17/970324417.db2.gz VKMXJADZBYZCLN-HNNXBMFYSA-N -1 3 379.210 3.143 20 5 GGBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@@H](C)N(Cc3ccccc3)CC2)n1 ZINC000563204279 974519552 /nfs/dbraw/zinc/51/95/52/974519552.db2.gz APOANNVUQFAIMN-OAHLLOKOSA-N -1 3 384.436 3.097 20 5 GGBDHM CSc1ccc([C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000563815071 974539355 /nfs/dbraw/zinc/53/93/55/974539355.db2.gz ZYWDLDYLRXBBOU-HNNXBMFYSA-N -1 3 376.438 3.125 20 5 GGBDHM Cc1cc(NC[C@H]2CN(Cc3ccccc3)CCCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000566564006 974617132 /nfs/dbraw/zinc/61/71/32/974617132.db2.gz PDSNVDDMOJBUJA-SFHVURJKSA-N -1 3 399.447 3.304 20 5 GGBDHM CCN1CCN(Cc2ccccc2CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000566563714 974617261 /nfs/dbraw/zinc/61/72/61/974617261.db2.gz LEQLFCRAZZRRRD-UHFFFAOYSA-N -1 3 398.463 3.043 20 5 GGBDHM CC(C)Oc1ccc([C@H](CNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000569696927 974697185 /nfs/dbraw/zinc/69/71/85/974697185.db2.gz FVYVPOJWCRISJQ-KRWDZBQOSA-N -1 3 388.424 3.190 20 5 GGBDHM O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN(Cc3cccs3)C2)n1 ZINC000572042720 974740833 /nfs/dbraw/zinc/74/08/33/974740833.db2.gz AHGWZMGFQGLHQE-LBPRGKRZSA-N -1 3 376.438 3.074 20 5 GGBDHM COc1ccccc1[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])N1CCCC1 ZINC000592966641 974976844 /nfs/dbraw/zinc/97/68/44/974976844.db2.gz FYUUHKXVOFRWJW-LJQANCHMSA-N -1 3 399.447 3.480 20 5 GGBDHM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCCN(Cc3ccccc3C)CC2)n1 ZINC000592968685 974976912 /nfs/dbraw/zinc/97/69/12/974976912.db2.gz BJHHNQXULDKUOZ-UHFFFAOYSA-N -1 3 384.436 3.017 20 5 GGBDHM COc1ccccc1[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])N1CCCC1 ZINC000592966634 974977059 /nfs/dbraw/zinc/97/70/59/974977059.db2.gz FYUUHKXVOFRWJW-IBGZPJMESA-N -1 3 399.447 3.480 20 5 GGBDHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000901826605 980546406 /nfs/dbraw/zinc/54/64/06/980546406.db2.gz ITGBHGDKDYKGOF-IBGZPJMESA-N -1 3 392.358 3.425 20 5 GGBDHM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1OC ZINC001594965361 982722000 /nfs/dbraw/zinc/72/20/00/982722000.db2.gz VKPLKLNSLBDGFM-UMVBOHGHSA-N -1 3 380.441 3.181 20 5 GGBDHM O=C([O-])[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1F ZINC001118261713 982949152 /nfs/dbraw/zinc/94/91/52/982949152.db2.gz BZXNVXPGRGDELU-LSDHHAIUSA-N -1 3 392.358 3.052 20 5 GGBDHM CCO[C@@H]1C[C@](NCc2cc([N+](=O)[O-])ccc2OC(C)C)(C(=O)[O-])C1(C)C ZINC001596836944 985489007 /nfs/dbraw/zinc/48/90/07/985489007.db2.gz GSUPAWTXFZEVPB-APWZRJJASA-N -1 3 380.441 3.130 20 5 GGBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCN(C(=O)c2ccccc2)CC1 ZINC001598507885 992529778 /nfs/dbraw/zinc/52/97/78/992529778.db2.gz WIKNWOHGQGRMBZ-UHFFFAOYSA-N -1 3 397.431 3.030 20 5 GGBDHM C[C@@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC001593298085 994709767 /nfs/dbraw/zinc/70/97/67/994709767.db2.gz DLZLCGVQDOGZMD-CQSZACIVSA-N -1 3 396.403 3.095 20 5 GGBDHM C[C@H](NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 ZINC001593298523 994715390 /nfs/dbraw/zinc/71/53/90/994715390.db2.gz KMCHJJDWIHGYPU-AWEZNQCLSA-N -1 3 396.403 3.095 20 5 GGBDHM CO[C@@]1(C(=O)[O-])CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC001599078378 996933594 /nfs/dbraw/zinc/93/35/94/996933594.db2.gz CJIWTFBLZCAHPP-KRWDZBQOSA-N -1 3 380.784 3.184 20 5 GGBDHM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001599064269 999288076 /nfs/dbraw/zinc/28/80/76/999288076.db2.gz VNWSCTZULKGNJO-CWTRNNRKSA-N -1 3 392.383 3.063 20 5 GGBDHM CC(C)c1nc(CN[C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cs1 ZINC001255794880 1126160863 /nfs/dbraw/zinc/16/08/63/1126160863.db2.gz YLOZXQWGSZUIKQ-INIZCTEOSA-N -1 3 388.449 3.442 20 5 GGBDHM O=C([O-])[C@@H](Cc1ccccc1)NCc1cc([N+](=O)[O-])ccc1Br ZINC001601660195 1126224483 /nfs/dbraw/zinc/22/44/83/1126224483.db2.gz QSZDAGWKQGIBOB-OAHLLOKOSA-N -1 3 379.210 3.143 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C)cc1[N+](=O)[O-] ZINC000016122689 221357575 /nfs/dbraw/zinc/35/75/75/221357575.db2.gz CELYRKMCLBBHEF-UHFFFAOYSA-N -1 3 391.449 3.313 20 5 GGBDHM O=C(Nc1ccnn1CCc1ccccc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000058225659 222047255 /nfs/dbraw/zinc/04/72/55/222047255.db2.gz GCIIHJWFOJIHDY-UHFFFAOYSA-N -1 3 376.376 3.163 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1coc(-c2cccs2)n1 ZINC000115640833 564197785 /nfs/dbraw/zinc/19/77/85/564197785.db2.gz UQXDQCHEROUKQI-UHFFFAOYSA-N -1 3 399.837 3.443 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]c2ccccc2Br)cc1[N+](=O)[O-] ZINC000005121350 564212234 /nfs/dbraw/zinc/21/22/34/564212234.db2.gz UIPDQAKUXDBNNV-UHFFFAOYSA-N -1 3 387.211 3.167 20 5 GGBDHM COC(=O)c1cc([N-]C(=O)c2oc(Br)cc2C)cc([N+](=O)[O-])c1 ZINC000118723928 564244889 /nfs/dbraw/zinc/24/48/89/564244889.db2.gz IWCZGVYKHYZNHK-UHFFFAOYSA-N -1 3 383.154 3.298 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1Cl ZINC000016093457 564290851 /nfs/dbraw/zinc/29/08/51/564290851.db2.gz BXKQDDLXZDFRRJ-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2cccs2)cc1C(F)(F)F ZINC000120041263 564302200 /nfs/dbraw/zinc/30/22/00/564302200.db2.gz SKELFWLKARXXJW-UHFFFAOYSA-N -1 3 395.384 3.066 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000025376247 564338738 /nfs/dbraw/zinc/33/87/38/564338738.db2.gz YYHFJVKLRCIRDZ-VHSXEESVSA-N -1 3 382.360 3.003 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000025376242 564338938 /nfs/dbraw/zinc/33/89/38/564338938.db2.gz YYHFJVKLRCIRDZ-ZJUUUORDSA-N -1 3 382.360 3.003 20 5 GGBDHM C[C@H](Cc1nc2ccccc2s1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000121055779 564351321 /nfs/dbraw/zinc/35/13/21/564351321.db2.gz POLRUVADWPUAAP-LLVKDONJSA-N -1 3 377.447 3.114 20 5 GGBDHM CCOCc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000028331125 564361717 /nfs/dbraw/zinc/36/17/17/564361717.db2.gz UIHUGJKSRFFVGQ-UHFFFAOYSA-N -1 3 384.841 3.263 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(SC)cc2)c([N+](=O)[O-])c1 ZINC000030366111 564379921 /nfs/dbraw/zinc/37/99/21/564379921.db2.gz UYXQPEHAUISMEZ-LLVKDONJSA-N -1 3 382.463 3.365 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)c([N+](=O)[O-])c1 ZINC000032444905 564400881 /nfs/dbraw/zinc/40/08/81/564400881.db2.gz DSWYEYWGUOAMEB-ZDUSSCGKSA-N -1 3 380.447 3.119 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ccc(SC)cc1 ZINC000032435603 564400939 /nfs/dbraw/zinc/40/09/39/564400939.db2.gz VRRHZLPSYYPXNG-LLVKDONJSA-N -1 3 382.463 3.365 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000122441515 564413985 /nfs/dbraw/zinc/41/39/85/564413985.db2.gz SJJBSZLHVHNWLR-UONOGXRCSA-N -1 3 382.825 3.091 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000122543646 564418162 /nfs/dbraw/zinc/41/81/62/564418162.db2.gz IEXOTVFDAOXBPG-UHFFFAOYSA-N -1 3 382.825 3.224 20 5 GGBDHM COc1ccc([C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C2CC2)cc1 ZINC000122924153 564432228 /nfs/dbraw/zinc/43/22/28/564432228.db2.gz UOMOFDKNXLOXBK-INIZCTEOSA-N -1 3 382.463 3.403 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCOc3c(Cl)cccc32)cc1[N+](=O)[O-] ZINC000123291347 564444158 /nfs/dbraw/zinc/44/41/58/564444158.db2.gz YUCXHEZPHOGRHK-LLVKDONJSA-N -1 3 388.854 3.420 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000123473162 564449427 /nfs/dbraw/zinc/44/94/27/564449427.db2.gz MWABKRPLSUZQBB-UHFFFAOYSA-N -1 3 378.378 3.045 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@H](COCC(C)C)c2ccco2)cc1[N+](=O)[O-] ZINC000123503679 564450806 /nfs/dbraw/zinc/45/08/06/564450806.db2.gz DWGGXCQJXBSJLI-GFCCVEGCSA-N -1 3 388.467 3.250 20 5 GGBDHM COc1cc(S(=O)(=O)[N-]c2ccccc2Br)ccc1[N+](=O)[O-] ZINC000124348220 564479403 /nfs/dbraw/zinc/47/94/03/564479403.db2.gz YUPITKWTKKSNDB-UHFFFAOYSA-N -1 3 387.211 3.167 20 5 GGBDHM CCOCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCCC1 ZINC000125555986 564519041 /nfs/dbraw/zinc/51/90/41/564519041.db2.gz WKFKNVKTOHJJLW-UHFFFAOYSA-N -1 3 376.500 3.230 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@H](C)Cc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000125623950 564521095 /nfs/dbraw/zinc/52/10/95/564521095.db2.gz XWNPVVWPJPPEJY-SECBINFHSA-N -1 3 397.503 3.484 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCOc3cc(F)ccc32)cc1[N+](=O)[O-] ZINC000126299436 564544082 /nfs/dbraw/zinc/54/40/82/564544082.db2.gz LFJHMIMXLCVWAW-LBPRGKRZSA-N -1 3 386.426 3.296 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000126415201 564548326 /nfs/dbraw/zinc/54/83/26/564548326.db2.gz CUHAEQGKHSMIGE-GFCCVEGCSA-N -1 3 386.426 3.296 20 5 GGBDHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCO1 ZINC000126411029 564548339 /nfs/dbraw/zinc/54/83/39/564548339.db2.gz HGJINZLSTVTHNT-TZMCWYRMSA-N -1 3 376.500 3.227 20 5 GGBDHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CCO1 ZINC000126410771 564548615 /nfs/dbraw/zinc/54/86/15/564548615.db2.gz HGJINZLSTVTHNT-OCCSQVGLSA-N -1 3 376.500 3.227 20 5 GGBDHM COc1ccc(-c2csc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])n2)cc1Cl ZINC000127174962 564576385 /nfs/dbraw/zinc/57/63/85/564576385.db2.gz KCKRQAGUIZXPNH-UHFFFAOYSA-N -1 3 379.785 3.356 20 5 GGBDHM CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000055622241 564626313 /nfs/dbraw/zinc/62/63/13/564626313.db2.gz RIQLOBBMLDIBHM-UHFFFAOYSA-N -1 3 383.813 3.398 20 5 GGBDHM CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000128969161 564634889 /nfs/dbraw/zinc/63/48/89/564634889.db2.gz WNOSZKCBTPRRFF-BDJLRTHQSA-N -1 3 384.841 3.303 20 5 GGBDHM CCOCc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000056040724 564638735 /nfs/dbraw/zinc/63/87/35/564638735.db2.gz GKUMFQQRNAIOCD-UHFFFAOYSA-N -1 3 384.841 3.263 20 5 GGBDHM CCOCc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000056041214 564638929 /nfs/dbraw/zinc/63/89/29/564638929.db2.gz DQWXOEBGTDDAQU-UHFFFAOYSA-N -1 3 384.841 3.263 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000057021589 564656987 /nfs/dbraw/zinc/65/69/87/564656987.db2.gz PENRLWCZTVLQGY-CQSZACIVSA-N -1 3 382.825 3.223 20 5 GGBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SCC(N)=O)c1 ZINC000057813673 564675717 /nfs/dbraw/zinc/67/57/17/564675717.db2.gz YSUWKYYXLDFONT-UHFFFAOYSA-N -1 3 377.447 3.146 20 5 GGBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)cc1C ZINC000060497669 564699570 /nfs/dbraw/zinc/69/95/70/564699570.db2.gz BOKRVZRXWVPRGI-UHFFFAOYSA-N -1 3 384.841 3.222 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1c(Cl)cccc1Cl ZINC000064955411 564737534 /nfs/dbraw/zinc/73/75/34/564737534.db2.gz YRUVKTMSUGJYQU-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM Cc1csc(CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000066106310 564756072 /nfs/dbraw/zinc/75/60/72/564756072.db2.gz QQCJDNNSNKLPJT-UHFFFAOYSA-N -1 3 389.886 3.314 20 5 GGBDHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCc2cc(Br)ccc21 ZINC000066337655 564763083 /nfs/dbraw/zinc/76/30/83/564763083.db2.gz QAITZGUOTKOLQE-UHFFFAOYSA-N -1 3 387.193 3.437 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCCC2)C1 ZINC000134663389 564811882 /nfs/dbraw/zinc/81/18/82/564811882.db2.gz AYRMQNSUPGRLBE-ZDUSSCGKSA-N -1 3 388.873 3.408 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCSCc1ccccc1F ZINC000071989617 564858836 /nfs/dbraw/zinc/85/88/36/564858836.db2.gz NQKOIKZWOJIFSQ-UHFFFAOYSA-N -1 3 384.454 3.254 20 5 GGBDHM O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc([O-])ccc3Br)C2)nc1 ZINC000093534645 564887777 /nfs/dbraw/zinc/88/77/77/564887777.db2.gz XFJVJSXVEJEJAU-LBPRGKRZSA-N -1 3 393.241 3.144 20 5 GGBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2csc(C(C)C)n2)cc1C ZINC000102412718 564929540 /nfs/dbraw/zinc/92/95/40/564929540.db2.gz KMSBLBMLKJJNBQ-UHFFFAOYSA-N -1 3 383.495 3.313 20 5 GGBDHM CC(C)c1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000102413042 564929648 /nfs/dbraw/zinc/92/96/48/564929648.db2.gz FJOSVOUFTMXWEK-UHFFFAOYSA-N -1 3 389.886 3.349 20 5 GGBDHM Cc1cc(Br)oc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103201586 564944550 /nfs/dbraw/zinc/94/45/50/564944550.db2.gz PJBOLYUNPCYXCX-UHFFFAOYSA-N -1 3 392.169 3.296 20 5 GGBDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)CC(=O)c2cccs2)cc1C ZINC000152359727 564956324 /nfs/dbraw/zinc/95/63/24/564956324.db2.gz HUYNVELRCYOIFP-GFCCVEGCSA-N -1 3 382.463 3.213 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1csc(-c2ccco2)n1 ZINC000153668580 565005322 /nfs/dbraw/zinc/00/53/22/565005322.db2.gz FBMAIUNIENKDJT-UHFFFAOYSA-N -1 3 399.837 3.443 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]Cc2csc(-c3ccco3)n2)c([N+](=O)[O-])c1 ZINC000153661496 565005620 /nfs/dbraw/zinc/00/56/20/565005620.db2.gz ANBYXHSFKBOSFX-UHFFFAOYSA-N -1 3 379.419 3.098 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000108874989 565018073 /nfs/dbraw/zinc/01/80/73/565018073.db2.gz MRFLCMMHFQGXLF-LLVKDONJSA-N -1 3 382.825 3.093 20 5 GGBDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000154033957 565022793 /nfs/dbraw/zinc/02/27/93/565022793.db2.gz NXOXZHLXLPCING-UHFFFAOYSA-N -1 3 383.857 3.419 20 5 GGBDHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000111362870 565053305 /nfs/dbraw/zinc/05/33/05/565053305.db2.gz KJEGIAYAPCHCTM-QMMMGPOBSA-N -1 3 375.859 3.307 20 5 GGBDHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])CCCC2)n1 ZINC000112707330 565065873 /nfs/dbraw/zinc/06/58/73/565065873.db2.gz POBHNFBKSPAVSV-UHFFFAOYSA-N -1 3 381.479 3.416 20 5 GGBDHM COC(=O)C(C)(C)c1csc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000293722691 565181566 /nfs/dbraw/zinc/18/15/66/565181566.db2.gz CCKTXPMXTONYRF-UHFFFAOYSA-N -1 3 383.813 3.408 20 5 GGBDHM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)s1 ZINC000270647039 565224448 /nfs/dbraw/zinc/22/44/48/565224448.db2.gz LCAGEJRCHHGIJT-UHFFFAOYSA-N -1 3 382.467 3.390 20 5 GGBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)c2cc(C)sc2C)cc1[N+](=O)[O-] ZINC000186327160 565255721 /nfs/dbraw/zinc/25/57/21/565255721.db2.gz CZSSJMSPTKCVRV-VIFPVBQESA-N -1 3 388.442 3.460 20 5 GGBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1nccs1 ZINC000186671648 565277105 /nfs/dbraw/zinc/27/71/05/565277105.db2.gz CLVDULRBLDYWLG-MRVPVSSYSA-N -1 3 395.384 3.152 20 5 GGBDHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000186740084 565282396 /nfs/dbraw/zinc/28/23/96/565282396.db2.gz SUAKGBVBSARDKZ-MRVPVSSYSA-N -1 3 375.859 3.095 20 5 GGBDHM COc1c(F)cc(S(=O)(=O)[N-]Cc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000186850837 565290194 /nfs/dbraw/zinc/29/01/94/565290194.db2.gz FPJQLBDZYIHZKD-UHFFFAOYSA-N -1 3 392.767 3.014 20 5 GGBDHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)Cc2ccc(C)s2)cc1[N+](=O)[O-] ZINC000187132099 565312196 /nfs/dbraw/zinc/31/21/96/565312196.db2.gz XSBCDVKANLFRFP-VIFPVBQESA-N -1 3 388.442 3.022 20 5 GGBDHM COc1c(F)cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1[N+](=O)[O-] ZINC000187200982 565316322 /nfs/dbraw/zinc/31/63/22/565316322.db2.gz MWPABLOEVOELAX-UHFFFAOYSA-N -1 3 378.740 3.336 20 5 GGBDHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1cccnc1 ZINC000162720216 565325931 /nfs/dbraw/zinc/32/59/31/565325931.db2.gz KZEAJORUCDPGCZ-VIFPVBQESA-N -1 3 375.328 3.048 20 5 GGBDHM COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163389274 565345278 /nfs/dbraw/zinc/34/52/78/565345278.db2.gz AKDVROZXPWKACU-VIFPVBQESA-N -1 3 384.376 3.096 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000167556541 565378280 /nfs/dbraw/zinc/37/82/80/565378280.db2.gz YSSKXDUCSRUXLN-MFKMUULPSA-N -1 3 382.825 3.091 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1COc2ccccc21 ZINC000167532047 565378318 /nfs/dbraw/zinc/37/83/18/565378318.db2.gz DMTYOMQGTYYTMH-ZWNOBZJWSA-N -1 3 382.825 3.091 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](c1nccs1)c1ccccc1 ZINC000171713626 565446728 /nfs/dbraw/zinc/44/67/28/565446728.db2.gz HFHQBZBGMSNPCO-HNNXBMFYSA-N -1 3 375.431 3.119 20 5 GGBDHM COc1cc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cc([N+](=O)[O-])c1C ZINC000276794342 565460999 /nfs/dbraw/zinc/46/09/99/565460999.db2.gz PZXJBVTVUSHUPB-UHFFFAOYSA-N -1 3 376.316 3.120 20 5 GGBDHM Cc1csc(CCCC[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000189937849 565498297 /nfs/dbraw/zinc/49/82/97/565498297.db2.gz LJCVBQJNYVPSAK-UHFFFAOYSA-N -1 3 383.495 3.278 20 5 GGBDHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000190002030 565501520 /nfs/dbraw/zinc/50/15/20/565501520.db2.gz JDRHJODYXFEYGA-UHFFFAOYSA-N -1 3 395.384 3.165 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccsc1Br ZINC000388544460 565551364 /nfs/dbraw/zinc/55/13/64/565551364.db2.gz FGBNSAVKQILZQW-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N(C)c1ccccc1 ZINC000303058184 565567282 /nfs/dbraw/zinc/56/72/82/565567282.db2.gz WSFXDJGWTHWUSZ-LBPRGKRZSA-N -1 3 383.857 3.051 20 5 GGBDHM CCc1[nH]nc(C(=O)[N-]c2nc(-c3sc(C)nc3C)cs2)c1[N+](=O)[O-] ZINC000278579211 565567257 /nfs/dbraw/zinc/56/72/57/565567257.db2.gz LDFXAZDUISNQBV-UHFFFAOYSA-N -1 3 378.439 3.329 20 5 GGBDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000173807323 565588931 /nfs/dbraw/zinc/58/89/31/565588931.db2.gz HCVRNDMPGBAHKE-AWEZNQCLSA-N -1 3 388.804 3.053 20 5 GGBDHM Cc1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)CCC3=O)ccc1[N+](=O)[O-] ZINC000191227051 565589680 /nfs/dbraw/zinc/58/96/80/565589680.db2.gz ZGVVYPYYEPIAEP-UHFFFAOYSA-N -1 3 380.809 3.486 20 5 GGBDHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000191226813 565590201 /nfs/dbraw/zinc/59/02/01/565590201.db2.gz KQGLXQXBWHGYLJ-UHFFFAOYSA-N -1 3 380.809 3.486 20 5 GGBDHM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]c1c(F)cccc1Br ZINC000319481372 565599826 /nfs/dbraw/zinc/59/98/26/565599826.db2.gz SPTAEXROMXEYBW-UHFFFAOYSA-N -1 3 393.165 3.436 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSc3c(F)cccc32)c(F)c1 ZINC000409861784 565645315 /nfs/dbraw/zinc/64/53/15/565645315.db2.gz 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CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000193235708 565740198 /nfs/dbraw/zinc/74/01/98/565740198.db2.gz AMOKFXRBDQIALM-UHFFFAOYSA-N -1 3 387.776 3.011 20 5 GGBDHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccnc1 ZINC000177023032 565824148 /nfs/dbraw/zinc/82/41/48/565824148.db2.gz WHNZIJLFLBQSBK-AWEZNQCLSA-N -1 3 383.857 3.361 20 5 GGBDHM Cc1c(C[N-]S(=O)(=O)c2sccc2Br)cccc1[N+](=O)[O-] ZINC000231877076 565932519 /nfs/dbraw/zinc/93/25/19/565932519.db2.gz KFGIGBFAYGDZGE-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM CC(C)OCCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416461574 566070449 /nfs/dbraw/zinc/07/04/49/566070449.db2.gz ZWDSABXNIBCTPY-UHFFFAOYSA-N -1 3 384.376 3.097 20 5 GGBDHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]C[C@H]1CCC(F)(F)C1 ZINC000416524996 566081395 /nfs/dbraw/zinc/08/13/95/566081395.db2.gz NAMUXOSXFVBETH-QMMMGPOBSA-N -1 3 388.314 3.327 20 5 GGBDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2nc3c(s2)CCC3)c1C ZINC000416536279 566083416 /nfs/dbraw/zinc/08/34/16/566083416.db2.gz LMQQXOLORJDQPK-NSHDSACASA-N -1 3 381.479 3.196 20 5 GGBDHM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000416579452 566090368 /nfs/dbraw/zinc/09/03/68/566090368.db2.gz CQRZPDWBFDMDLK-UHFFFAOYSA-N -1 3 383.857 3.419 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000181599026 566151783 /nfs/dbraw/zinc/15/17/83/566151783.db2.gz PKAVSIMLLVRKBC-CZUORRHYSA-N -1 3 382.825 3.057 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000181599058 566151935 /nfs/dbraw/zinc/15/19/35/566151935.db2.gz PKAVSIMLLVRKBC-CJNGLKHVSA-N -1 3 382.825 3.057 20 5 GGBDHM C[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)[O-] ZINC000417583339 566163505 /nfs/dbraw/zinc/16/35/05/566163505.db2.gz KAKHGYFQIUSEAZ-VIFPVBQESA-N -1 3 383.198 3.428 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@@H](C2CCCC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000182792023 566224481 /nfs/dbraw/zinc/22/44/81/566224481.db2.gz 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CO[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000462400164 566296671 /nfs/dbraw/zinc/29/66/71/566296671.db2.gz DROKDLGTRXCAET-HNNXBMFYSA-N -1 3 384.841 3.223 20 5 GGBDHM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)ccc1[N+](=O)[O-] ZINC000509397414 566299555 /nfs/dbraw/zinc/29/95/55/566299555.db2.gz TXWYRDOFBLPZOE-UHFFFAOYSA-N -1 3 376.312 3.445 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccccc2N(C)C(C)C)cc1[N+](=O)[O-] ZINC000445745341 566309877 /nfs/dbraw/zinc/30/98/77/566309877.db2.gz YWZUHGDWZATIBY-UHFFFAOYSA-N -1 3 383.495 3.288 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCn1ccc2cc(Cl)ccc21 ZINC000509571864 566316672 /nfs/dbraw/zinc/31/66/72/566316672.db2.gz NDWRALBWXSZLTI-UHFFFAOYSA-N -1 3 379.825 3.181 20 5 GGBDHM O=C([N-]c1ccccc1-n1ccnn1)c1sc(Br)cc1[N+](=O)[O-] ZINC000446031249 566324384 /nfs/dbraw/zinc/32/43/84/566324384.db2.gz ZOVPBDQTPQGRGK-UHFFFAOYSA-N -1 3 394.210 3.252 20 5 GGBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Oc1ccc(Cl)cc1 ZINC000462583221 566326998 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SRGRFYLMOROMJH-AWEZNQCLSA-N -1 3 388.804 3.053 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C)Oc1ccccc1Cl ZINC000462702230 566343343 /nfs/dbraw/zinc/34/33/43/566343343.db2.gz JFCVWZIJDFBAJD-LBPRGKRZSA-N -1 3 384.841 3.302 20 5 GGBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1cccc(F)c1 ZINC000462703592 566344620 /nfs/dbraw/zinc/34/46/20/566344620.db2.gz LKCLSDZRUKYUBT-SNVBAGLBSA-N -1 3 388.804 3.133 20 5 GGBDHM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000462720554 566347896 /nfs/dbraw/zinc/34/78/96/566347896.db2.gz JXJDAAMWMYFPQY-GFCCVEGCSA-N -1 3 384.841 3.302 20 5 GGBDHM O=[N+]([O-])c1ccccc1CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000462725406 566349997 /nfs/dbraw/zinc/34/99/97/566349997.db2.gz HFINWROQABSOFC-UHFFFAOYSA-N -1 3 375.233 3.423 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCCCCC2)c(Br)c1 ZINC000446940755 566370982 /nfs/dbraw/zinc/37/09/82/566370982.db2.gz WMNYWHVOERESBV-UHFFFAOYSA-N -1 3 377.260 3.358 20 5 GGBDHM COC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000576781924 566377368 /nfs/dbraw/zinc/37/73/68/566377368.db2.gz BUZCXMYZCTYBLS-CQSZACIVSA-N -1 3 384.841 3.223 20 5 GGBDHM Cc1ccsc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447028383 566379296 /nfs/dbraw/zinc/37/92/96/566379296.db2.gz NPFDWYGTSDTBCV-UHFFFAOYSA-N -1 3 380.369 3.462 20 5 GGBDHM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000447031228 566379564 /nfs/dbraw/zinc/37/95/64/566379564.db2.gz QYXOCWWBVFBQNJ-MGCOHNPYSA-N -1 3 377.260 3.214 20 5 GGBDHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000447022264 566379751 /nfs/dbraw/zinc/37/97/51/566379751.db2.gz DCWHQYDVZXTPNL-GFCCVEGCSA-N -1 3 379.276 3.460 20 5 GGBDHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(C)(C)C ZINC000447022266 566379947 /nfs/dbraw/zinc/37/99/47/566379947.db2.gz DCWHQYDVZXTPNL-LBPRGKRZSA-N -1 3 379.276 3.460 20 5 GGBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000511032497 566429410 /nfs/dbraw/zinc/42/94/10/566429410.db2.gz RKUUNFWAWUZCNT-VIFPVBQESA-N -1 3 380.813 3.164 20 5 GGBDHM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl ZINC000464185107 566451599 /nfs/dbraw/zinc/45/15/99/566451599.db2.gz HTQKJKVJLGFZRE-UHFFFAOYSA-N -1 3 389.216 3.063 20 5 GGBDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464190112 566452715 /nfs/dbraw/zinc/45/27/15/566452715.db2.gz ZHTXOFQMTIZNRV-SECBINFHSA-N -1 3 377.344 3.152 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)c([N+](=O)[O-])c1 ZINC000511905740 566495612 /nfs/dbraw/zinc/49/56/12/566495612.db2.gz HCWIFKYVEQQCEA-AWEZNQCLSA-N -1 3 382.825 3.223 20 5 GGBDHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]Cc1ccc(C)cc1SC ZINC000465499068 566534846 /nfs/dbraw/zinc/53/48/46/566534846.db2.gz HZUOSPWCMMAXEG-UHFFFAOYSA-N -1 3 382.463 3.112 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCSc2ccc(F)cc2)c(F)c1 ZINC000603956449 566547770 /nfs/dbraw/zinc/54/77/70/566547770.db2.gz OIXJSCBNEZCADL-UHFFFAOYSA-N 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Cc1cc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2Cl)c(F)cc1F ZINC000466519747 566581416 /nfs/dbraw/zinc/58/14/16/566581416.db2.gz AWLCWKRDZUCJBD-UHFFFAOYSA-N -1 3 376.768 3.313 20 5 GGBDHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(Cl)c1 ZINC000466514879 566581682 /nfs/dbraw/zinc/58/16/82/566581682.db2.gz MMQONYYHHXFSCP-UHFFFAOYSA-N -1 3 380.731 3.144 20 5 GGBDHM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000539637679 566594106 /nfs/dbraw/zinc/59/41/06/566594106.db2.gz CVYXEGWCIPJQPM-YPMHNXCESA-N -1 3 376.862 3.120 20 5 GGBDHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C2CC2)s1 ZINC000560325737 566617313 /nfs/dbraw/zinc/61/73/13/566617313.db2.gz WGENNGZPWQVXBB-UHFFFAOYSA-N -1 3 380.451 3.315 20 5 GGBDHM COc1ccc(C[C@@H](C)C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000467051651 566621633 /nfs/dbraw/zinc/62/16/33/566621633.db2.gz QSZKPTHHKVPGEB-LLVKDONJSA-N -1 3 384.479 3.130 20 5 GGBDHM CCOc1cccc([C@H]2C[C@H]2[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467063829 566622235 /nfs/dbraw/zinc/62/22/35/566622235.db2.gz KUJKSUCGBOYEKW-ZIAGYGMSSA-N -1 3 382.463 3.198 20 5 GGBDHM CCOc1cccc([C@H]2C[C@@H]2[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000467063828 566622940 /nfs/dbraw/zinc/62/29/40/566622940.db2.gz KUJKSUCGBOYEKW-KGLIPLIRSA-N -1 3 382.463 3.198 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2cccc(OC(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000467075675 566624346 /nfs/dbraw/zinc/62/43/46/566624346.db2.gz PQDRDEUVXQIXJI-UHFFFAOYSA-N -1 3 385.467 3.016 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCc2c[nH]c3cc(C)ccc23)cc1[N+](=O)[O-] ZINC000467079842 566625323 /nfs/dbraw/zinc/62/53/23/566625323.db2.gz QPBFAMHBZYELAI-UHFFFAOYSA-N -1 3 379.463 3.275 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000486816502 566625683 /nfs/dbraw/zinc/62/56/83/566625683.db2.gz BZXXVQOIUFFINP-MRVPVSSYSA-N -1 3 395.384 3.418 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C(F)(F)F)cs1 ZINC000486866174 566631541 /nfs/dbraw/zinc/63/15/41/566631541.db2.gz MIQVECDIVZZSKY-SSDOTTSWSA-N -1 3 381.357 3.110 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2sccc2Br)cc1[N+](=O)[O-] ZINC000467401620 566643288 /nfs/dbraw/zinc/64/32/88/566643288.db2.gz AWTPWWHASQBXSX-UHFFFAOYSA-N -1 3 397.297 3.267 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]CCCO[C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000467397035 566644102 /nfs/dbraw/zinc/64/41/02/566644102.db2.gz PTYGZTCYVFQDFN-LBPRGKRZSA-N -1 3 384.479 3.411 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000467399880 566644122 /nfs/dbraw/zinc/64/41/22/566644122.db2.gz HXDXXAVQKFDEDA-UHFFFAOYSA-N -1 3 380.369 3.462 20 5 GGBDHM CCCCOc1ncccc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000467414505 566645539 /nfs/dbraw/zinc/64/55/39/566645539.db2.gz VFAVGBLXTGPPAD-UHFFFAOYSA-N -1 3 385.467 3.017 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)cc1[N+](=O)[O-] ZINC000467424959 566646025 /nfs/dbraw/zinc/64/60/25/566646025.db2.gz WFGPFFWGVNRSEQ-CQSZACIVSA-N -1 3 395.487 3.489 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2SCCc3ccccc32)c(F)c1 ZINC000487133888 566650916 /nfs/dbraw/zinc/65/09/16/566650916.db2.gz JZGDUDPVUOKMPG-HNNXBMFYSA-N -1 3 382.438 3.043 20 5 GGBDHM Cc1cscc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000487363048 566666861 /nfs/dbraw/zinc/66/68/61/566666861.db2.gz FMMAHBXFBRIXBW-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000540736591 566668851 /nfs/dbraw/zinc/66/88/51/566668851.db2.gz KYVYPRDBRWGLHG-CHWSQXEVSA-N -1 3 376.862 3.120 20 5 GGBDHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488220935 566715283 /nfs/dbraw/zinc/71/52/83/566715283.db2.gz OSCXXXTUSOXSLU-UHFFFAOYSA-N -1 3 390.776 3.205 20 5 GGBDHM O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])NCc1csc(Br)c1 ZINC000426812750 566730615 /nfs/dbraw/zinc/73/06/15/566730615.db2.gz RWHOWHWAMCFJOQ-NSHDSACASA-N -1 3 385.239 3.204 20 5 GGBDHM COc1ccccc1C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000488730639 566744634 /nfs/dbraw/zinc/74/46/34/566744634.db2.gz XGZUTWYWHPENFX-UHFFFAOYSA-N -1 3 384.841 3.470 20 5 GGBDHM Cc1cccc(CC[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000609418959 566763602 /nfs/dbraw/zinc/76/36/02/566763602.db2.gz UHWMBRRMPRHDDT-UHFFFAOYSA-N -1 3 399.266 3.187 20 5 GGBDHM Cc1cc(Br)ccc1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000609542699 566770549 /nfs/dbraw/zinc/77/05/49/566770549.db2.gz WKYHHTGGPYSRQO-UHFFFAOYSA-N -1 3 385.239 3.144 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1F ZINC000542238381 566785281 /nfs/dbraw/zinc/78/52/81/566785281.db2.gz CMRXGRASNGBTDU-UHFFFAOYSA-N -1 3 394.758 3.187 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOC2CCCCCC2)c(Cl)c1 ZINC000609824576 566787906 /nfs/dbraw/zinc/78/79/06/566787906.db2.gz GJJHLKOHONXWBA-UHFFFAOYSA-N -1 3 376.862 3.266 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCOC1CCCCCC1 ZINC000609824800 566788594 /nfs/dbraw/zinc/78/85/94/566788594.db2.gz PMKUBGPMTACJDX-UHFFFAOYSA-N -1 3 376.862 3.266 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc(F)c2F)c(Cl)c1 ZINC000489691691 566804046 /nfs/dbraw/zinc/80/40/46/566804046.db2.gz YHOZGHLLWAKTBB-UHFFFAOYSA-N -1 3 376.768 3.047 20 5 GGBDHM CCc1ccccc1C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610135826 566810526 /nfs/dbraw/zinc/81/05/26/566810526.db2.gz OSEVGSOVGMZFJH-UHFFFAOYSA-N -1 3 399.266 3.398 20 5 GGBDHM CN(CC(=O)Nc1ccc(Br)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC000610290523 566822620 /nfs/dbraw/zinc/82/26/20/566822620.db2.gz YTVGQNKECMTMQO-UHFFFAOYSA-N -1 3 380.198 3.138 20 5 GGBDHM Cc1ccccc1C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000517488518 566829292 /nfs/dbraw/zinc/82/92/92/566829292.db2.gz BSSYRFDNGPFXDT-UHFFFAOYSA-N -1 3 385.239 3.144 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000517543319 566831309 /nfs/dbraw/zinc/83/13/09/566831309.db2.gz FALLPSCPTRPFAJ-UHFFFAOYSA-N -1 3 384.841 3.470 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)c(Cl)c1 ZINC000610591647 566846836 /nfs/dbraw/zinc/84/68/36/566846836.db2.gz CEJYLBGDKPTUQH-UHFFFAOYSA-N -1 3 398.721 3.283 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCOc1cccc(Cl)c1Cl ZINC000517769987 566847092 /nfs/dbraw/zinc/84/70/92/566847092.db2.gz ITXGDQYTOVRJHE-UHFFFAOYSA-N -1 3 391.232 3.259 20 5 GGBDHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000563483871 566886987 /nfs/dbraw/zinc/88/69/87/566886987.db2.gz UAARYASJWYJVIC-UHFFFAOYSA-N -1 3 383.857 3.208 20 5 GGBDHM C[C@@H]1CCCN(C(C)(C)C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658824 566898492 /nfs/dbraw/zinc/89/84/92/566898492.db2.gz UILINFKHJKYDMH-GFCCVEGCSA-N -1 3 389.905 3.037 20 5 GGBDHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccccc1 ZINC000543686458 566902075 /nfs/dbraw/zinc/90/20/75/566902075.db2.gz PFHZPANVGYNESL-LLVKDONJSA-N -1 3 399.266 3.439 20 5 GGBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCc1nc2ccccc2s1 ZINC000470777616 566903124 /nfs/dbraw/zinc/90/31/24/566903124.db2.gz YGRGHFJTGJBQBN-UHFFFAOYSA-N -1 3 377.447 3.034 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCc2sc(Cl)cc21 ZINC000564358506 566966836 /nfs/dbraw/zinc/96/68/36/566966836.db2.gz SCHWULYYQNZUPH-JTQLQIEISA-N -1 3 388.854 3.284 20 5 GGBDHM O=C(N=c1cc2ccc(Br)cn2[n-]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000430107413 566982711 /nfs/dbraw/zinc/98/27/11/566982711.db2.gz TVVWDQIKSKQZHZ-UHFFFAOYSA-N -1 3 395.600 3.333 20 5 GGBDHM CCSc1cc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])ccn1 ZINC000494304777 566985456 /nfs/dbraw/zinc/98/54/56/566985456.db2.gz XPDQXKPTRANPPW-UHFFFAOYSA-N -1 3 381.479 3.197 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]Cc2cc3c(s2)CCCC3)c([N+](=O)[O-])c1 ZINC000520481083 567008760 /nfs/dbraw/zinc/00/87/60/567008760.db2.gz CBOVCMVZEFMEEE-UHFFFAOYSA-N -1 3 382.463 3.022 20 5 GGBDHM Cc1nn(CCC(=O)Nc2c([O-])ccc(Br)c2C)c(C)c1[N+](=O)[O-] ZINC000452746933 567012016 /nfs/dbraw/zinc/01/20/16/567012016.db2.gz GXHTYVWFIJBYBH-UHFFFAOYSA-N -1 3 397.229 3.213 20 5 GGBDHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c(Cl)c1 ZINC000472340950 567020611 /nfs/dbraw/zinc/02/06/11/567020611.db2.gz WPUZILDFWYOZNC-UHFFFAOYSA-N -1 3 384.841 3.086 20 5 GGBDHM CCOc1ccc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1Cl ZINC000520850434 567027709 /nfs/dbraw/zinc/02/77/09/567027709.db2.gz BMFCUEHIUMEBEO-UHFFFAOYSA-N -1 3 384.841 3.434 20 5 GGBDHM COc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000613472380 567040277 /nfs/dbraw/zinc/04/02/77/567040277.db2.gz ICFDMLVMIDSRHT-UHFFFAOYSA-N -1 3 384.479 3.229 20 5 GGBDHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1ccc([O-])c(F)c1 ZINC000585701192 567080316 /nfs/dbraw/zinc/08/03/16/567080316.db2.gz PXSRBKSJQKOOPM-UHFFFAOYSA-N -1 3 383.173 3.440 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2ccccc2COC(C)C)cc1[N+](=O)[O-] ZINC000545938458 567090703 /nfs/dbraw/zinc/09/07/03/567090703.db2.gz NJXKFKLPPAHSLW-UHFFFAOYSA-N -1 3 384.479 3.368 20 5 GGBDHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000497774409 567122669 /nfs/dbraw/zinc/12/26/69/567122669.db2.gz TXTGTDTXPHJSAH-JTQLQIEISA-N -1 3 388.804 3.133 20 5 GGBDHM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000497779465 567125163 /nfs/dbraw/zinc/12/51/63/567125163.db2.gz BRUSOKSXWDNHSH-SNVBAGLBSA-N -1 3 388.804 3.133 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000522714898 567125977 /nfs/dbraw/zinc/12/59/77/567125977.db2.gz JRVJUOPHEGDHRA-UHFFFAOYSA-N -1 3 399.266 3.187 20 5 GGBDHM COC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cccc(Cl)c1 ZINC000588910358 567144746 /nfs/dbraw/zinc/14/47/46/567144746.db2.gz YMEYCUKGVLDEDN-HNNXBMFYSA-N -1 3 384.841 3.223 20 5 GGBDHM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000566396597 567155435 /nfs/dbraw/zinc/15/54/35/567155435.db2.gz LRSQKHJFNKUJDJ-IAQYHMDHSA-N -1 3 390.889 3.368 20 5 GGBDHM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000566396599 567155680 /nfs/dbraw/zinc/15/56/80/567155680.db2.gz LRSQKHJFNKUJDJ-XHDPSFHLSA-N -1 3 390.889 3.368 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(c2cccc(F)c2)CC1 ZINC000523523581 567160760 /nfs/dbraw/zinc/16/07/60/567160760.db2.gz ZCLNWVXPARTSMK-UHFFFAOYSA-N -1 3 384.816 3.397 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)(C)CO)cc1[N+](=O)[O-] ZINC000589230142 567168330 /nfs/dbraw/zinc/16/83/30/567168330.db2.gz SOXDIACNHCEZAA-HNNXBMFYSA-N -1 3 384.479 3.003 20 5 GGBDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NCc2csc([N+](=O)[O-])c2)ccc1F ZINC000589820600 567193302 /nfs/dbraw/zinc/19/33/02/567193302.db2.gz ZDGWRELTELMNCF-UHFFFAOYSA-N -1 3 387.458 3.484 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Br ZINC000524335003 567193980 /nfs/dbraw/zinc/19/39/80/567193980.db2.gz WKCFMFDYQPEXEK-ZDUSSCGKSA-N -1 3 397.250 3.323 20 5 GGBDHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Oc1ccccc1 ZINC000524448592 567199109 /nfs/dbraw/zinc/19/91/09/567199109.db2.gz ZLEWQNDRCDSHNW-UHFFFAOYSA-N -1 3 384.841 3.384 20 5 GGBDHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000524587148 567204600 /nfs/dbraw/zinc/20/46/00/567204600.db2.gz GXHVRDCDHYDAOW-UHFFFAOYSA-N -1 3 384.841 3.470 20 5 GGBDHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1(c2cccc(Br)c2)CC1 ZINC000524871710 567217970 /nfs/dbraw/zinc/21/79/70/567217970.db2.gz CCWOZNQCRQEZEF-UHFFFAOYSA-N -1 3 397.250 3.325 20 5 GGBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000433168707 567229770 /nfs/dbraw/zinc/22/97/70/567229770.db2.gz TWEXSUJUUKHWHJ-UHFFFAOYSA-N -1 3 387.193 3.422 20 5 GGBDHM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc(Cl)c1 ZINC000567389976 567240980 /nfs/dbraw/zinc/24/09/80/567240980.db2.gz XGWXPDATAFCCLT-OAHLLOKOSA-N -1 3 384.841 3.223 20 5 GGBDHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)c1[N+](=O)[O-] ZINC000616424300 567244540 /nfs/dbraw/zinc/24/45/40/567244540.db2.gz KRSIJFGDHSKSAG-ZDUSSCGKSA-N -1 3 382.825 3.277 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]C(C)(C)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000499759024 567271474 /nfs/dbraw/zinc/27/14/74/567271474.db2.gz SDOLCHVDSBIPQL-UHFFFAOYSA-N -1 3 384.479 3.238 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1 ZINC000526049275 567286330 /nfs/dbraw/zinc/28/63/30/567286330.db2.gz ZLUMNNFMIGAHSJ-UHFFFAOYSA-N -1 3 376.768 3.047 20 5 GGBDHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Br)s1 ZINC000434070837 567293111 /nfs/dbraw/zinc/29/31/11/567293111.db2.gz JLTFEMOSKQQMKK-UHFFFAOYSA-N -1 3 394.210 3.456 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000592121176 567316695 /nfs/dbraw/zinc/31/66/95/567316695.db2.gz NADYWKJONFMFIY-VHSXEESVSA-N -1 3 382.360 3.003 20 5 GGBDHM C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccccc1 ZINC000500435930 567320943 /nfs/dbraw/zinc/32/09/43/567320943.db2.gz YNTRHHHABRBYTJ-JTQLQIEISA-N -1 3 385.239 3.397 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c(Cl)c1 ZINC000435225488 567350767 /nfs/dbraw/zinc/35/07/67/567350767.db2.gz HRLFDLPUWZOUHR-IAOVAPTHSA-N -1 3 378.837 3.255 20 5 GGBDHM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1ncoc1[C@@H]1CCCO1 ZINC000501293421 567379355 /nfs/dbraw/zinc/37/93/55/567379355.db2.gz UHXFLDNMMWFOEJ-NSHDSACASA-N -1 3 382.170 3.449 20 5 GGBDHM C[C@H]1CC(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000549240688 567380874 /nfs/dbraw/zinc/38/08/74/567380874.db2.gz HJABIRRNTULHLV-QWRGUYRKSA-N -1 3 376.862 3.120 20 5 GGBDHM O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000435676496 567383343 /nfs/dbraw/zinc/38/33/43/567383343.db2.gz UMVCCNQBVHSYFG-UHFFFAOYSA-N -1 3 387.193 3.422 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC000619478463 567457040 /nfs/dbraw/zinc/45/70/40/567457040.db2.gz OEHCSLIUUPWKBM-CYBMUJFWSA-N -1 3 382.825 3.223 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cc2c(s1)CCCC2 ZINC000619477417 567457811 /nfs/dbraw/zinc/45/78/11/567457811.db2.gz QUZYLXSILPPIGX-UHFFFAOYSA-N -1 3 382.463 3.022 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000619479510 567457961 /nfs/dbraw/zinc/45/79/61/567457961.db2.gz OKCRYMYBMARIEL-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)c1cccc(Cl)c1 ZINC000619485211 567459199 /nfs/dbraw/zinc/45/91/99/567459199.db2.gz UWBUFQFKZADXBZ-UHFFFAOYSA-N -1 3 384.841 3.470 20 5 GGBDHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C)c1ccc(SC)cc1 ZINC000619596554 567468526 /nfs/dbraw/zinc/46/85/26/567468526.db2.gz JTFHNHCNHLFSNI-NSHDSACASA-N -1 3 382.463 3.365 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000437333607 567493694 /nfs/dbraw/zinc/49/36/94/567493694.db2.gz RUHDUPJJXHUXEM-UWVGGRQHSA-N -1 3 384.351 3.381 20 5 GGBDHM CCn1cc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2Cl)c([N+](=O)[O-])n1 ZINC000479142986 567507769 /nfs/dbraw/zinc/50/77/69/567507769.db2.gz RYHYJFRQQIVIEZ-UHFFFAOYSA-N -1 3 383.188 3.058 20 5 GGBDHM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594755388 567508066 /nfs/dbraw/zinc/50/80/66/567508066.db2.gz XACTXKJSWGFWGG-VXGBXAGGSA-N -1 3 381.479 3.096 20 5 GGBDHM C[C@H](C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])CC(F)(F)F ZINC000594784239 567513746 /nfs/dbraw/zinc/51/37/46/567513746.db2.gz QLOJVNZAZUWELW-VIFPVBQESA-N -1 3 377.344 3.010 20 5 GGBDHM C[C@@H](C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])CC(F)(F)F ZINC000594784238 567513775 /nfs/dbraw/zinc/51/37/75/567513775.db2.gz QLOJVNZAZUWELW-SECBINFHSA-N -1 3 377.344 3.010 20 5 GGBDHM CCOc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000551548689 567516254 /nfs/dbraw/zinc/51/62/54/567516254.db2.gz CQZXGYXAZQZLGY-UHFFFAOYSA-N -1 3 388.804 3.265 20 5 GGBDHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000479421002 567534405 /nfs/dbraw/zinc/53/44/05/567534405.db2.gz JKQSSQONRHERBJ-SMDDNHRTSA-N -1 3 376.862 3.120 20 5 GGBDHM CCSC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000595348189 567556131 /nfs/dbraw/zinc/55/61/31/567556131.db2.gz CNTVXBAMTVZZRQ-UHFFFAOYSA-N -1 3 384.401 3.178 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccco2)c(C(F)(F)F)c1 ZINC000595377207 567560735 /nfs/dbraw/zinc/56/07/35/567560735.db2.gz MIPSVEXMENBEJB-UHFFFAOYSA-N -1 3 378.328 3.118 20 5 GGBDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000595527353 567569714 /nfs/dbraw/zinc/56/97/14/567569714.db2.gz OLIMQZVWZIYUBI-UHFFFAOYSA-N -1 3 381.230 3.186 20 5 GGBDHM Cc1sc(S(=O)(=O)[N-]Cc2c(C)c3ccccc3n2C)cc1[N+](=O)[O-] ZINC000480394550 567601742 /nfs/dbraw/zinc/60/17/42/567601742.db2.gz OXECQHKEDHEVIQ-UHFFFAOYSA-N -1 3 379.463 3.243 20 5 GGBDHM O=c1[n-]ccc(NC[C@H]2CCN(c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000596085351 567608355 /nfs/dbraw/zinc/60/83/55/567608355.db2.gz TVSCKCFQTHVUNI-LLVKDONJSA-N -1 3 393.241 3.396 20 5 GGBDHM O=c1[n-]ccc(NC[C@@H]2CCN(c3ccc(Br)cc3)C2)c1[N+](=O)[O-] ZINC000596085352 567608381 /nfs/dbraw/zinc/60/83/81/567608381.db2.gz TVSCKCFQTHVUNI-NSHDSACASA-N -1 3 393.241 3.396 20 5 GGBDHM O=c1[n-]ccc(NC[C@@H]2CCN(c3cccc(Br)c3)C2)c1[N+](=O)[O-] ZINC000596089000 567608974 /nfs/dbraw/zinc/60/89/74/567608974.db2.gz QNMRDUOCYPYRBV-NSHDSACASA-N -1 3 393.241 3.396 20 5 GGBDHM O=c1[n-]ccc(N[C@H]2CCN(c3ccccc3Br)C2)c1[N+](=O)[O-] ZINC000596123960 567610610 /nfs/dbraw/zinc/61/06/10/567610610.db2.gz UHEMQWYJHVNNIS-JTQLQIEISA-N -1 3 379.214 3.149 20 5 GGBDHM O=C(Nc1cccc2cc(Br)cnc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000553148254 567630593 /nfs/dbraw/zinc/63/05/93/567630593.db2.gz KXCSTBPTBYSTAE-UHFFFAOYSA-N -1 3 389.165 3.258 20 5 GGBDHM NC(=O)[C@H]([N-]c1c(F)cc([N+](=O)[O-])cc1F)c1cccc(Br)c1 ZINC000440592542 567634593 /nfs/dbraw/zinc/63/45/93/567634593.db2.gz GWJNAEQJDZTWIG-GFCCVEGCSA-N -1 3 386.152 3.274 20 5 GGBDHM COc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000481081145 567657166 /nfs/dbraw/zinc/65/71/66/567657166.db2.gz KNLFACXEPBSTNP-UHFFFAOYSA-N -1 3 391.232 3.389 20 5 GGBDHM O=C([N-]c1c(F)cccc1Br)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000531458381 567659748 /nfs/dbraw/zinc/65/97/48/567659748.db2.gz CGEGVYVYCOMVIC-UHFFFAOYSA-N -1 3 383.129 3.477 20 5 GGBDHM COc1cc(OCC(=O)Nc2cc(Br)ccc2[O-])ccc1[N+](=O)[O-] ZINC000531492608 567662984 /nfs/dbraw/zinc/66/29/84/567662984.db2.gz CCORHLPWZSAXEF-UHFFFAOYSA-N -1 3 397.181 3.089 20 5 GGBDHM COC(=O)c1cc(C(=O)Nc2cc(Br)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000531492666 567663565 /nfs/dbraw/zinc/66/35/65/567663565.db2.gz LVKITOIIOZVICF-UHFFFAOYSA-N -1 3 395.165 3.102 20 5 GGBDHM C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000481219884 567663697 /nfs/dbraw/zinc/66/36/97/567663697.db2.gz HNGMQSGLECJYQN-NXEZZACHSA-N -1 3 377.260 3.072 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c(C(F)(F)F)c1 ZINC000553569720 567666940 /nfs/dbraw/zinc/66/69/40/567666940.db2.gz AKMAPBGJUVWYQX-VIFPVBQESA-N -1 3 384.401 3.035 20 5 GGBDHM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000507308832 567674436 /nfs/dbraw/zinc/67/44/36/567674436.db2.gz HOXLVMHLPFGZKZ-GFCCVEGCSA-N -1 3 384.841 3.302 20 5 GGBDHM Cc1ccc(S(=O)(=O)[N-]Cc2csc(Br)c2)c([N+](=O)[O-])c1 ZINC000507408540 567679494 /nfs/dbraw/zinc/67/94/94/567679494.db2.gz QCFOYIKGLFJJPK-UHFFFAOYSA-N -1 3 391.268 3.206 20 5 GGBDHM Cc1ccc(CSCC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000507497896 567681816 /nfs/dbraw/zinc/68/18/16/567681816.db2.gz ZITAKIKJZRCBMK-UHFFFAOYSA-N -1 3 380.491 3.423 20 5 GGBDHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(F)cc1F ZINC000573515059 567718900 /nfs/dbraw/zinc/71/89/00/567718900.db2.gz ZQPPAFNSAWSPJV-UHFFFAOYSA-N -1 3 376.768 3.047 20 5 GGBDHM CNc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1[N+](=O)[O-] ZINC000532635790 567726717 /nfs/dbraw/zinc/72/67/17/567726717.db2.gz ZAMGEFLNLAGPGV-UHFFFAOYSA-N -1 3 380.198 3.035 20 5 GGBDHM CN(C)CCN(Cc1cccs1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000573805540 567737250 /nfs/dbraw/zinc/73/72/50/567737250.db2.gz ZATVEBLNWRYQMN-UHFFFAOYSA-N -1 3 383.857 3.219 20 5 GGBDHM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000554910942 567755664 /nfs/dbraw/zinc/75/56/64/567755664.db2.gz OWKLPFFMYNLIGV-ZSBIGDGJSA-N -1 3 376.862 3.120 20 5 GGBDHM O=[N+]([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000462061375 567763872 /nfs/dbraw/zinc/76/38/72/567763872.db2.gz WNENUNZOPFJQBJ-UHFFFAOYSA-N -1 3 380.369 3.196 20 5 GGBDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C2CC2)n1 ZINC000598612402 567778782 /nfs/dbraw/zinc/77/87/82/567778782.db2.gz OJXYVCNXVKCPKG-AWEZNQCLSA-N -1 3 381.479 3.406 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3c(n2)CCCC3)c(Cl)c1 ZINC000443934254 567780237 /nfs/dbraw/zinc/78/02/37/567780237.db2.gz JIIMXMQPERSGJO-UHFFFAOYSA-N -1 3 381.841 3.001 20 5 GGBDHM COc1cc(CC[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1Cl ZINC000555430979 567783893 /nfs/dbraw/zinc/78/38/93/567783893.db2.gz BQNUEQBLJSCGPU-UHFFFAOYSA-N -1 3 384.841 3.086 20 5 GGBDHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)s1 ZINC000444274562 567799867 /nfs/dbraw/zinc/79/98/67/567799867.db2.gz CLYOXNNBPJVHJH-QMMMGPOBSA-N -1 3 391.268 3.458 20 5 GGBDHM O=C(COC(=O)c1ccc([O-])cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000005754298 571000015 /nfs/dbraw/zinc/00/00/15/571000015.db2.gz XNRPWKHNRIPQMJ-UHFFFAOYSA-N -1 3 384.266 3.115 20 5 GGBDHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822233066 599108543 /nfs/dbraw/zinc/10/85/43/599108543.db2.gz HMNRTNBQQRBDTH-PBHICJAKSA-N -1 3 395.423 3.058 20 5 GGBDHM Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822233066 599108545 /nfs/dbraw/zinc/10/85/45/599108545.db2.gz HMNRTNBQQRBDTH-PBHICJAKSA-N -1 3 395.423 3.058 20 5 GGBDHM O=[N+]([O-])c1cccc(Br)c1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823646885 607259266 /nfs/dbraw/zinc/25/92/66/607259266.db2.gz CCXAHGQTCTVVLH-UHFFFAOYSA-N -1 3 394.160 3.256 20 5 GGBDHM O=[N+]([O-])c1cccc(Br)c1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000823646885 607259267 /nfs/dbraw/zinc/25/92/67/607259267.db2.gz CCXAHGQTCTVVLH-UHFFFAOYSA-N -1 3 394.160 3.256 20 5 GGBDHM O=[N+]([O-])c1cc(CSc2ccc(-c3nnn[n-]3)cc2F)c2c(c1)COCO2 ZINC000738361729 599174871 /nfs/dbraw/zinc/17/48/71/599174871.db2.gz ZHYWKNVUIHDDJG-UHFFFAOYSA-N -1 3 389.368 3.073 20 5 GGBDHM O=[N+]([O-])c1cc(CSc2ccc(-c3nn[n-]n3)cc2F)c2c(c1)COCO2 ZINC000738361729 599174873 /nfs/dbraw/zinc/17/48/73/599174873.db2.gz ZHYWKNVUIHDDJG-UHFFFAOYSA-N -1 3 389.368 3.073 20 5 GGBDHM CCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505774 599183120 /nfs/dbraw/zinc/18/31/20/599183120.db2.gz MVMLVZVXFZTLFJ-CYBMUJFWSA-N -1 3 380.408 3.307 20 5 GGBDHM CCN(C(=O)c1cc(C)ccc1[N+](=O)[O-])[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505774 599183122 /nfs/dbraw/zinc/18/31/22/599183122.db2.gz MVMLVZVXFZTLFJ-CYBMUJFWSA-N -1 3 380.408 3.307 20 5 GGBDHM CN(Cc1ccc(Cl)cc1Cl)c1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821609814 599214819 /nfs/dbraw/zinc/21/48/19/599214819.db2.gz MZCJBWRSFMQWAK-UHFFFAOYSA-N -1 3 380.195 3.113 20 5 GGBDHM CN(Cc1ccc(Cl)cc1Cl)c1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821609814 599214821 /nfs/dbraw/zinc/21/48/21/599214821.db2.gz MZCJBWRSFMQWAK-UHFFFAOYSA-N -1 3 380.195 3.113 20 5 GGBDHM O=Cc1cc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1Br ZINC000823557882 607306238 /nfs/dbraw/zinc/30/62/38/607306238.db2.gz UQFTYBBVMUSDDL-UHFFFAOYSA-N -1 3 390.153 3.142 20 5 GGBDHM O=Cc1cc(Oc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)ccc1Br ZINC000823557882 607306239 /nfs/dbraw/zinc/30/62/39/607306239.db2.gz UQFTYBBVMUSDDL-UHFFFAOYSA-N -1 3 390.153 3.142 20 5 GGBDHM C[C@H](Cc1cccs1)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736066246 599269274 /nfs/dbraw/zinc/26/92/74/599269274.db2.gz MIRNGZOBTNLYMB-SNVBAGLBSA-N -1 3 381.421 3.428 20 5 GGBDHM C[C@H](Cc1cccs1)Nc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736066246 599269276 /nfs/dbraw/zinc/26/92/76/599269276.db2.gz MIRNGZOBTNLYMB-SNVBAGLBSA-N -1 3 381.421 3.428 20 5 GGBDHM Cc1c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cccc1-c1nnn[n-]1 ZINC000822061198 607321692 /nfs/dbraw/zinc/32/16/92/607321692.db2.gz KVVNQUOEBBLXDV-LLVKDONJSA-N -1 3 384.421 3.203 20 5 GGBDHM Cc1c(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cccc1-c1nn[n-]n1 ZINC000822061198 607321693 /nfs/dbraw/zinc/32/16/93/607321693.db2.gz KVVNQUOEBBLXDV-LLVKDONJSA-N -1 3 384.421 3.203 20 5 GGBDHM CC(C)(C)OCc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735639691 598298763 /nfs/dbraw/zinc/29/87/63/598298763.db2.gz NFCRFCKHEQTRTM-UHFFFAOYSA-N -1 3 383.412 3.097 20 5 GGBDHM CC(C)(C)OCc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735639691 598298764 /nfs/dbraw/zinc/29/87/64/598298764.db2.gz NFCRFCKHEQTRTM-UHFFFAOYSA-N -1 3 383.412 3.097 20 5 GGBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737369519 598333248 /nfs/dbraw/zinc/33/32/48/598333248.db2.gz VSQXWTMKTAHNRM-LBPRGKRZSA-N -1 3 381.396 3.274 20 5 GGBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737369519 598333251 /nfs/dbraw/zinc/33/32/51/598333251.db2.gz VSQXWTMKTAHNRM-LBPRGKRZSA-N -1 3 381.396 3.274 20 5 GGBDHM Cc1c(NC(=O)[C@H](C)Sc2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000737218986 598417411 /nfs/dbraw/zinc/41/74/11/598417411.db2.gz OBUNAIZMQDFYGS-NSHDSACASA-N -1 3 384.421 3.203 20 5 GGBDHM Cc1c(NC(=O)[C@H](C)Sc2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000737218986 598417412 /nfs/dbraw/zinc/41/74/12/598417412.db2.gz OBUNAIZMQDFYGS-NSHDSACASA-N -1 3 384.421 3.203 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737373285 598475160 /nfs/dbraw/zinc/47/51/60/598475160.db2.gz SOLQBVKIEKVRSC-UHFFFAOYSA-N -1 3 393.407 3.280 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737373285 598475161 /nfs/dbraw/zinc/47/51/61/598475161.db2.gz SOLQBVKIEKVRSC-UHFFFAOYSA-N -1 3 393.407 3.280 20 5 GGBDHM C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000736160496 598484907 /nfs/dbraw/zinc/48/49/07/598484907.db2.gz QQCZNBVLMSGQTK-SNVBAGLBSA-N -1 3 378.348 3.174 20 5 GGBDHM C[C@@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000736160496 598484908 /nfs/dbraw/zinc/48/49/08/598484908.db2.gz QQCZNBVLMSGQTK-SNVBAGLBSA-N -1 3 378.348 3.174 20 5 GGBDHM C[C@@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736155042 598653029 /nfs/dbraw/zinc/65/30/29/598653029.db2.gz GFXQCJBKUPKKSL-LLVKDONJSA-N -1 3 385.405 3.171 20 5 GGBDHM C[C@@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736155042 598653031 /nfs/dbraw/zinc/65/30/31/598653031.db2.gz GFXQCJBKUPKKSL-LLVKDONJSA-N -1 3 385.405 3.171 20 5 GGBDHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736155043 598653263 /nfs/dbraw/zinc/65/32/63/598653263.db2.gz GFXQCJBKUPKKSL-NSHDSACASA-N -1 3 385.405 3.171 20 5 GGBDHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000736155043 598653265 /nfs/dbraw/zinc/65/32/65/598653265.db2.gz GFXQCJBKUPKKSL-NSHDSACASA-N -1 3 385.405 3.171 20 5 GGBDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)OCc1ccccc1[N+](=O)[O-] ZINC000737841976 598727083 /nfs/dbraw/zinc/72/70/83/598727083.db2.gz ROURKMPHFHJEIB-UHFFFAOYSA-N -1 3 397.391 3.067 20 5 GGBDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)OCc1ccccc1[N+](=O)[O-] ZINC000737841976 598727085 /nfs/dbraw/zinc/72/70/85/598727085.db2.gz ROURKMPHFHJEIB-UHFFFAOYSA-N -1 3 397.391 3.067 20 5 GGBDHM O=[N+]([O-])c1ccc(N[C@H](c2nccs2)c2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738370933 598757918 /nfs/dbraw/zinc/75/79/18/598757918.db2.gz SSVZBXPSBSJEOO-HNNXBMFYSA-N -1 3 379.405 3.433 20 5 GGBDHM O=[N+]([O-])c1ccc(N[C@H](c2nccs2)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738370933 598757920 /nfs/dbraw/zinc/75/79/20/598757920.db2.gz SSVZBXPSBSJEOO-HNNXBMFYSA-N -1 3 379.405 3.433 20 5 GGBDHM CC(C)Oc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1-c1nnn[n-]1 ZINC000820174314 607367157 /nfs/dbraw/zinc/36/71/57/607367157.db2.gz RMOXAMNJYPGTBE-UHFFFAOYSA-N -1 3 399.436 3.371 20 5 GGBDHM CC(C)Oc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1-c1nn[n-]n1 ZINC000820174314 607367158 /nfs/dbraw/zinc/36/71/58/607367158.db2.gz RMOXAMNJYPGTBE-UHFFFAOYSA-N -1 3 399.436 3.371 20 5 GGBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000738368417 599306570 /nfs/dbraw/zinc/30/65/70/599306570.db2.gz DGMBGAJUURATNM-AWEZNQCLSA-N -1 3 395.206 3.227 20 5 GGBDHM O=[N+]([O-])c1ccc(NC[C@H](O)c2cc(Cl)cc(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000738368417 599306573 /nfs/dbraw/zinc/30/65/73/599306573.db2.gz DGMBGAJUURATNM-AWEZNQCLSA-N -1 3 395.206 3.227 20 5 GGBDHM O=C(CSc1ccccc1-c1nnn[n-]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823070514 599343495 /nfs/dbraw/zinc/34/34/95/599343495.db2.gz BPVPUZVVVQASIK-UHFFFAOYSA-N -1 3 390.812 3.159 20 5 GGBDHM O=C(CSc1ccccc1-c1nn[n-]n1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823070514 599343497 /nfs/dbraw/zinc/34/34/97/599343497.db2.gz BPVPUZVVVQASIK-UHFFFAOYSA-N -1 3 390.812 3.159 20 5 GGBDHM O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738151614 599370556 /nfs/dbraw/zinc/37/05/56/599370556.db2.gz JSWOZKVDNPUVNE-UHFFFAOYSA-N -1 3 379.163 3.334 20 5 GGBDHM O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000738151614 599370558 /nfs/dbraw/zinc/37/05/58/599370558.db2.gz JSWOZKVDNPUVNE-UHFFFAOYSA-N -1 3 379.163 3.334 20 5 GGBDHM O=[N+]([O-])c1cccc2ccc(C=Cc3cnc4ccc(-c5nnn[n-]5)cn34)nc21 ZINC000738368688 599461744 /nfs/dbraw/zinc/46/17/44/599461744.db2.gz IQQRFMCYWINMOU-BQYQJAHWSA-N -1 3 384.359 3.141 20 5 GGBDHM O=[N+]([O-])c1cccc2ccc(C=Cc3cnc4ccc(-c5nn[n-]n5)cn34)nc21 ZINC000738368688 599461746 /nfs/dbraw/zinc/46/17/46/599461746.db2.gz IQQRFMCYWINMOU-BQYQJAHWSA-N -1 3 384.359 3.141 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1Nc1ccc(OCC2CCOCC2)cc1 ZINC000738357168 599472932 /nfs/dbraw/zinc/47/29/32/599472932.db2.gz DSOIZFQFUATVLD-UHFFFAOYSA-N -1 3 396.407 3.324 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1Nc1ccc(OCC2CCOCC2)cc1 ZINC000738357168 599472934 /nfs/dbraw/zinc/47/29/34/599472934.db2.gz DSOIZFQFUATVLD-UHFFFAOYSA-N -1 3 396.407 3.324 20 5 GGBDHM C[C@H]1CCCC[C@H]1OCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705928 599476819 /nfs/dbraw/zinc/47/68/19/599476819.db2.gz WVQDXDNPZUSSHT-YVEFUNNKSA-N -1 3 397.439 3.330 20 5 GGBDHM C[C@H]1CCCC[C@H]1OCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705928 599476822 /nfs/dbraw/zinc/47/68/22/599476822.db2.gz WVQDXDNPZUSSHT-YVEFUNNKSA-N -1 3 397.439 3.330 20 5 GGBDHM Cc1nc([C@@H](C)Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000822427799 599545396 /nfs/dbraw/zinc/54/53/96/599545396.db2.gz VMKWRSMIRRLMRB-MRVPVSSYSA-N -1 3 382.409 3.261 20 5 GGBDHM Cc1nc([C@@H](C)Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)cs1 ZINC000822427799 599545399 /nfs/dbraw/zinc/54/53/99/599545399.db2.gz VMKWRSMIRRLMRB-MRVPVSSYSA-N -1 3 382.409 3.261 20 5 GGBDHM CCO[C@@H]1C[C@@H](Nc2cc(-c3nnn[n-]3)c3cc([N+](=O)[O-])ccc3n2)C12CCC2 ZINC000821358026 599586624 /nfs/dbraw/zinc/58/66/24/599586624.db2.gz GUHIZDIGUIUMTC-HZPDHXFCSA-N -1 3 395.423 3.083 20 5 GGBDHM CCO[C@@H]1C[C@@H](Nc2cc(-c3nn[n-]n3)c3cc([N+](=O)[O-])ccc3n2)C12CCC2 ZINC000821358026 599586626 /nfs/dbraw/zinc/58/66/26/599586626.db2.gz GUHIZDIGUIUMTC-HZPDHXFCSA-N -1 3 395.423 3.083 20 5 GGBDHM C[C@](NCc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736665801 600079195 /nfs/dbraw/zinc/07/91/95/600079195.db2.gz ZHCOMUMGMZJQET-MRXNPFEDSA-N -1 3 379.210 3.447 20 5 GGBDHM CCc1c(C)sc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1-c1nnn[n-]1 ZINC000825687956 607431757 /nfs/dbraw/zinc/43/17/57/607431757.db2.gz ORMQGMUMXVTUBE-UHFFFAOYSA-N -1 3 386.437 3.197 20 5 GGBDHM CCc1c(C)sc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1-c1nn[n-]n1 ZINC000825687956 607431758 /nfs/dbraw/zinc/43/17/58/607431758.db2.gz ORMQGMUMXVTUBE-UHFFFAOYSA-N -1 3 386.437 3.197 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c(-c2nnn[n-]2)c1 ZINC000823640186 607468887 /nfs/dbraw/zinc/46/88/87/607468887.db2.gz WUSJQRYDHCWZMB-KDOFPFPSSA-N -1 3 398.398 3.007 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c(-c2nn[n-]n2)c1 ZINC000823640186 607468888 /nfs/dbraw/zinc/46/88/88/607468888.db2.gz WUSJQRYDHCWZMB-KDOFPFPSSA-N -1 3 398.398 3.007 20 5 GGBDHM C[C@@H]1C[C@H](Nc2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CCN1C ZINC000828184381 600818182 /nfs/dbraw/zinc/81/81/82/600818182.db2.gz PSGYVAKVYMQSLO-UKRRQHHQSA-N -1 3 397.431 3.419 20 5 GGBDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000826055093 601204050 /nfs/dbraw/zinc/20/40/50/601204050.db2.gz VPAZCYNXQSCKHZ-GTNSWQLSSA-N -1 3 391.811 3.238 20 5 GGBDHM CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830791590 601899131 /nfs/dbraw/zinc/89/91/31/601899131.db2.gz GQMJEGHKOGOEJS-INIZCTEOSA-N -1 3 384.310 3.149 20 5 GGBDHM CN(CCOc1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830795496 601906215 /nfs/dbraw/zinc/90/62/15/601906215.db2.gz VAXIXKURHMZZIM-MRXNPFEDSA-N -1 3 384.310 3.149 20 5 GGBDHM COc1ccc(CSCCOc2cccc([N+](=O)[O-])c2)cc1-c1nnn[n-]1 ZINC000826208001 607534323 /nfs/dbraw/zinc/53/43/23/607534323.db2.gz OHQDHBSAAKTWBP-UHFFFAOYSA-N -1 3 387.421 3.096 20 5 GGBDHM COc1ccc(CSCCOc2cccc([N+](=O)[O-])c2)cc1-c1nn[n-]n1 ZINC000826208001 607534324 /nfs/dbraw/zinc/53/43/24/607534324.db2.gz OHQDHBSAAKTWBP-UHFFFAOYSA-N -1 3 387.421 3.096 20 5 GGBDHM O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826455459 607674369 /nfs/dbraw/zinc/67/43/69/607674369.db2.gz PDYBCLXSNABNSV-UHFFFAOYSA-N -1 3 399.798 3.239 20 5 GGBDHM O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826455459 607674370 /nfs/dbraw/zinc/67/43/70/607674370.db2.gz PDYBCLXSNABNSV-UHFFFAOYSA-N -1 3 399.798 3.239 20 5 GGBDHM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823368036 606277708 /nfs/dbraw/zinc/27/77/08/606277708.db2.gz SEVODLRSXMZEMY-UHFFFAOYSA-N -1 3 391.347 3.148 20 5 GGBDHM O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823368036 606277710 /nfs/dbraw/zinc/27/77/10/606277710.db2.gz SEVODLRSXMZEMY-UHFFFAOYSA-N -1 3 391.347 3.148 20 5 GGBDHM CCNc1ccc(C(=O)O[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000821308998 606346625 /nfs/dbraw/zinc/34/66/25/606346625.db2.gz IVXYJFXKYQIHFN-LLVKDONJSA-N -1 3 382.380 3.125 20 5 GGBDHM CCNc1ccc(C(=O)O[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000821308998 606346628 /nfs/dbraw/zinc/34/66/28/606346628.db2.gz IVXYJFXKYQIHFN-LLVKDONJSA-N -1 3 382.380 3.125 20 5 GGBDHM CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821573528 606414923 /nfs/dbraw/zinc/41/49/23/606414923.db2.gz UIKMUFKDOXEILQ-UHFFFAOYSA-N -1 3 393.190 3.358 20 5 GGBDHM CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821573528 606414925 /nfs/dbraw/zinc/41/49/25/606414925.db2.gz UIKMUFKDOXEILQ-UHFFFAOYSA-N -1 3 393.190 3.358 20 5 GGBDHM CC(C)[C@H]1OCCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820047305 606426928 /nfs/dbraw/zinc/42/69/28/606426928.db2.gz XBEGZUMLCSQVBP-KZULUSFZSA-N -1 3 397.439 3.186 20 5 GGBDHM CC(C)[C@H]1OCCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820047305 606426930 /nfs/dbraw/zinc/42/69/30/606426930.db2.gz XBEGZUMLCSQVBP-KZULUSFZSA-N -1 3 397.439 3.186 20 5 GGBDHM CC(C)[C@@H]1OCCC[C@@H]1CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820047310 606427048 /nfs/dbraw/zinc/42/70/48/606427048.db2.gz XBEGZUMLCSQVBP-XIKOKIGWSA-N -1 3 397.439 3.186 20 5 GGBDHM CC(C)[C@@H]1OCCC[C@@H]1CNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820047310 606427050 /nfs/dbraw/zinc/42/70/50/606427050.db2.gz XBEGZUMLCSQVBP-XIKOKIGWSA-N -1 3 397.439 3.186 20 5 GGBDHM Cc1ccc(C)c([C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nnn[n-]3)[C@@H](C)CO2)c1 ZINC000822231702 606475975 /nfs/dbraw/zinc/47/59/75/606475975.db2.gz DTQKQONCHMYEKN-LIRRHRJNSA-N -1 3 394.435 3.358 20 5 GGBDHM Cc1ccc(C)c([C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[n-]n3)[C@@H](C)CO2)c1 ZINC000822231702 606475977 /nfs/dbraw/zinc/47/59/77/606475977.db2.gz DTQKQONCHMYEKN-LIRRHRJNSA-N -1 3 394.435 3.358 20 5 GGBDHM Cn1c2ccccc2nc1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822596500 606637593 /nfs/dbraw/zinc/63/75/93/606637593.db2.gz MUQOZYKNGRTRFY-QGZVFWFLSA-N -1 3 390.407 3.003 20 5 GGBDHM Cn1c2ccccc2nc1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000822596500 606637594 /nfs/dbraw/zinc/63/75/94/606637594.db2.gz MUQOZYKNGRTRFY-QGZVFWFLSA-N -1 3 390.407 3.003 20 5 GGBDHM Cc1ccc([N+](=O)[O-])c(C)c1NCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822271181 606707036 /nfs/dbraw/zinc/70/70/36/606707036.db2.gz PNGCXMRKAJYKQR-UHFFFAOYSA-N -1 3 392.379 3.054 20 5 GGBDHM Cc1ccc([N+](=O)[O-])c(C)c1NCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822271181 606707037 /nfs/dbraw/zinc/70/70/37/606707037.db2.gz PNGCXMRKAJYKQR-UHFFFAOYSA-N -1 3 392.379 3.054 20 5 GGBDHM Cc1cc(C)n(-c2ccccc2CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])n1 ZINC000822197719 606722984 /nfs/dbraw/zinc/72/29/84/606722984.db2.gz MNHLGWGHLVHSJH-UHFFFAOYSA-N -1 3 390.407 3.190 20 5 GGBDHM Cc1cc(C)n(-c2ccccc2CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])n1 ZINC000822197719 606722986 /nfs/dbraw/zinc/72/29/86/606722986.db2.gz MNHLGWGHLVHSJH-UHFFFAOYSA-N -1 3 390.407 3.190 20 5 GGBDHM O=[N+]([O-])c1cccc(Cl)c1OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823646889 606839757 /nfs/dbraw/zinc/83/97/57/606839757.db2.gz CHCBSDKGBRRRAM-UHFFFAOYSA-N -1 3 375.772 3.276 20 5 GGBDHM O=[N+]([O-])c1cccc(Cl)c1OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823646889 606839759 /nfs/dbraw/zinc/83/97/59/606839759.db2.gz CHCBSDKGBRRRAM-UHFFFAOYSA-N -1 3 375.772 3.276 20 5 GGBDHM O=C(CSc1cccc(-c2nnn[n-]2)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823070614 607015488 /nfs/dbraw/zinc/01/54/88/607015488.db2.gz HGZGVPHQVFGRTF-UHFFFAOYSA-N -1 3 390.812 3.159 20 5 GGBDHM O=C(CSc1cccc(-c2nn[n-]n2)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823070614 607015489 /nfs/dbraw/zinc/01/54/89/607015489.db2.gz HGZGVPHQVFGRTF-UHFFFAOYSA-N -1 3 390.812 3.159 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c(-c2nnn[n-]2)c1 ZINC000823639658 607048405 /nfs/dbraw/zinc/04/84/05/607048405.db2.gz FFYVXMSNCXEOJJ-SUMWQHHRSA-N -1 3 398.423 3.241 20 5 GGBDHM O=[N+]([O-])c1ccc(N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c(-c2nn[n-]n2)c1 ZINC000823639658 607048407 /nfs/dbraw/zinc/04/84/07/607048407.db2.gz FFYVXMSNCXEOJJ-SUMWQHHRSA-N -1 3 398.423 3.241 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCOC4(CCCC4)C3)cc(-c3nnn[n-]3)c2c1 ZINC000823646000 607130697 /nfs/dbraw/zinc/13/06/97/607130697.db2.gz ZGECCCOVVNVHML-LBPRGKRZSA-N -1 3 395.423 3.227 20 5 GGBDHM O=[N+]([O-])c1ccc2nc(N[C@H]3CCOC4(CCCC4)C3)cc(-c3nn[n-]n3)c2c1 ZINC000823646000 607130699 /nfs/dbraw/zinc/13/06/99/607130699.db2.gz ZGECCCOVVNVHML-LBPRGKRZSA-N -1 3 395.423 3.227 20 5 GGBDHM Cc1cc(C)c([N+](=O)[O-])cc1NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822195295 607165901 /nfs/dbraw/zinc/16/59/01/607165901.db2.gz NRITZCBALFQXGA-UHFFFAOYSA-N -1 3 392.379 3.054 20 5 GGBDHM Cc1cc(C)c([N+](=O)[O-])cc1NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822195295 607165902 /nfs/dbraw/zinc/16/59/02/607165902.db2.gz NRITZCBALFQXGA-UHFFFAOYSA-N -1 3 392.379 3.054 20 5 GGBDHM O=[N+]([O-])c1cc(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)ccc1Cl ZINC000823634160 607173524 /nfs/dbraw/zinc/17/35/24/607173524.db2.gz BKLSMMNAGJGDCB-UHFFFAOYSA-N -1 3 381.783 3.340 20 5 GGBDHM O=[N+]([O-])c1cc(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)ccc1Cl ZINC000823634160 607173525 /nfs/dbraw/zinc/17/35/25/607173525.db2.gz BKLSMMNAGJGDCB-UHFFFAOYSA-N -1 3 381.783 3.340 20 5 GGBDHM O=C(Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823318694 607241672 /nfs/dbraw/zinc/24/16/72/607241672.db2.gz HWRJEXZBVZEGQK-UHFFFAOYSA-N -1 3 379.163 3.334 20 5 GGBDHM O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000823318694 607241673 /nfs/dbraw/zinc/24/16/73/607241673.db2.gz HWRJEXZBVZEGQK-UHFFFAOYSA-N -1 3 379.163 3.334 20 5 GGBDHM O=[N+]([O-])c1cccc2c1CCN(c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C2 ZINC000826500304 607937826 /nfs/dbraw/zinc/93/78/26/607937826.db2.gz STLSGLITBARDQH-UHFFFAOYSA-N -1 3 390.325 3.356 20 5 GGBDHM O=[N+]([O-])c1cccc2c1CCN(c1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C2 ZINC000826500304 607937827 /nfs/dbraw/zinc/93/78/27/607937827.db2.gz STLSGLITBARDQH-UHFFFAOYSA-N -1 3 390.325 3.356 20 5 GGBDHM O=[N+]([O-])c1cccc(-c2nnn[n-]2)c1OC[C@H](O)c1ccc(Cl)cc1Cl ZINC000826499271 607982187 /nfs/dbraw/zinc/98/21/87/607982187.db2.gz CADQHDVIKIUGDK-ZDUSSCGKSA-N -1 3 396.190 3.194 20 5 GGBDHM O=[N+]([O-])c1cccc(-c2nn[n-]n2)c1OC[C@H](O)c1ccc(Cl)cc1Cl ZINC000826499271 607982188 /nfs/dbraw/zinc/98/21/88/607982188.db2.gz CADQHDVIKIUGDK-ZDUSSCGKSA-N -1 3 396.190 3.194 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OC[C@H](O)c1ccc(Cl)cc1Cl ZINC000826497272 607982288 /nfs/dbraw/zinc/98/22/88/607982288.db2.gz AIOQYNWADCYIAT-ZDUSSCGKSA-N -1 3 396.190 3.194 20 5 GGBDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc(Cl)cc1Cl ZINC000826497272 607982289 /nfs/dbraw/zinc/98/22/89/607982289.db2.gz AIOQYNWADCYIAT-ZDUSSCGKSA-N -1 3 396.190 3.194 20 5 GGBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826421525 608000333 /nfs/dbraw/zinc/00/03/33/608000333.db2.gz MFPFOXRHSIEIDW-UHFFFAOYSA-N -1 3 397.782 3.091 20 5 GGBDHM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826421525 608000334 /nfs/dbraw/zinc/00/03/34/608000334.db2.gz MFPFOXRHSIEIDW-UHFFFAOYSA-N -1 3 397.782 3.091 20 5 GGBDHM COc1ccc(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1OC ZINC000826191220 608099355 /nfs/dbraw/zinc/09/93/55/608099355.db2.gz AAKZJBHDBXHAJD-LBPRGKRZSA-N -1 3 398.423 3.083 20 5 GGBDHM COc1ccc(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1OC ZINC000826191220 608099356 /nfs/dbraw/zinc/09/93/56/608099356.db2.gz AAKZJBHDBXHAJD-LBPRGKRZSA-N -1 3 398.423 3.083 20 5 GGBDHM CC(=CC(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942572 608141559 /nfs/dbraw/zinc/14/15/59/608141559.db2.gz GTOYRJBOFGYLMH-KXXVWKPMSA-N -1 3 379.376 3.483 20 5 GGBDHM CC(=CC(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823942572 608141560 /nfs/dbraw/zinc/14/15/60/608141560.db2.gz GTOYRJBOFGYLMH-KXXVWKPMSA-N -1 3 379.376 3.483 20 5 GGBDHM Cc1cccc(C2(C(=O)Nc3cc(-c4nnn[n-]4)cc([N+](=O)[O-])c3Cl)CC2)c1 ZINC000826296660 608160257 /nfs/dbraw/zinc/16/02/57/608160257.db2.gz FCCGIHAFBLOTRM-UHFFFAOYSA-N -1 3 398.810 3.407 20 5 GGBDHM Cc1cccc(C2(C(=O)Nc3cc(-c4nn[n-]n4)cc([N+](=O)[O-])c3Cl)CC2)c1 ZINC000826296660 608160258 /nfs/dbraw/zinc/16/02/58/608160258.db2.gz FCCGIHAFBLOTRM-UHFFFAOYSA-N -1 3 398.810 3.407 20 5 GGBDHM CC(C)c1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000824347411 608162355 /nfs/dbraw/zinc/16/23/55/608162355.db2.gz AGAIOHGZCLKEAA-UHFFFAOYSA-N -1 3 387.787 3.199 20 5 GGBDHM CC(C)c1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)cn1 ZINC000824347411 608162357 /nfs/dbraw/zinc/16/23/57/608162357.db2.gz AGAIOHGZCLKEAA-UHFFFAOYSA-N -1 3 387.787 3.199 20 5 GGBDHM Cc1cc(F)ccc1C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000826268980 608163400 /nfs/dbraw/zinc/16/34/00/608163400.db2.gz WIUHVOZOKJNTGM-UHFFFAOYSA-N -1 3 376.735 3.128 20 5 GGBDHM Cc1cc(F)ccc1C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000826268980 608163402 /nfs/dbraw/zinc/16/34/02/608163402.db2.gz WIUHVOZOKJNTGM-UHFFFAOYSA-N -1 3 376.735 3.128 20 5 GGBDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000825625647 608477712 /nfs/dbraw/zinc/47/77/12/608477712.db2.gz AOSNTCAIWYRHCB-LLVKDONJSA-N -1 3 397.395 3.056 20 5 GGBDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000825625647 608477713 /nfs/dbraw/zinc/47/77/13/608477713.db2.gz AOSNTCAIWYRHCB-LLVKDONJSA-N -1 3 397.395 3.056 20 5 GGBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cccc(-c2nnn[n-]2)c1F ZINC000825954120 608650909 /nfs/dbraw/zinc/65/09/09/608650909.db2.gz WGTJKZDZJMISRP-UHFFFAOYSA-N -1 3 376.779 3.199 20 5 GGBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cccc(-c2nn[n-]n2)c1F ZINC000825954120 608650910 /nfs/dbraw/zinc/65/09/10/608650910.db2.gz WGTJKZDZJMISRP-UHFFFAOYSA-N -1 3 376.779 3.199 20 5 GGBDHM Cc1cc(C)cc(C2=CCN(c3ncc([N+](=O)[O-])cc3-c3nnn[n-]3)CC2)c1 ZINC000826264470 608799380 /nfs/dbraw/zinc/79/93/80/608799380.db2.gz PLNAUBGHTYJPBX-UHFFFAOYSA-N -1 3 377.408 3.080 20 5 GGBDHM 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ZINC000132323198 1416736226 /nfs/dbraw/zinc/73/62/26/1416736226.db2.gz PGEFQCMXFCQGJZ-UHFFFAOYSA-N -1 3 376.369 3.029 20 5 GGBDHM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(Br)n1 ZINC000135243488 1417195192 /nfs/dbraw/zinc/19/51/92/1417195192.db2.gz ITTMEIPWSAVSGT-UHFFFAOYSA-N -1 3 390.190 3.001 20 5 GGBDHM CNC(=O)c1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(Cl)c1 ZINC000135966617 1417282299 /nfs/dbraw/zinc/28/22/99/1417282299.db2.gz ZOADTVSKIUAYGG-UHFFFAOYSA-N -1 3 397.840 3.025 20 5 GGBDHM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCN(CCCc2ccccc2)CC1 ZINC000179470869 1429386392 /nfs/dbraw/zinc/38/63/92/1429386392.db2.gz LYQDDGRYGMJQTJ-UHFFFAOYSA-N -1 3 383.448 3.081 20 5 GGBDHM Cc1c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000157376534 1423998170 /nfs/dbraw/zinc/99/81/70/1423998170.db2.gz KJFXEEBXEKOAGB-UHFFFAOYSA-N -1 3 386.433 3.073 20 5 GGBDHM C[C@@H](C[C@H](O)c1cccs1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000158087562 1424163493 /nfs/dbraw/zinc/16/34/93/1424163493.db2.gz APBADXAEILOLJU-CABZTGNLSA-N -1 3 390.870 3.100 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)c2ccccc2)c(F)c1 ZINC000159827737 1424540901 /nfs/dbraw/zinc/54/09/01/1424540901.db2.gz FETTURJMFQZJIJ-DYVFJYSZSA-N -1 3 394.424 3.180 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)c2ccccc2)c(F)c1 ZINC000159827488 1424540939 /nfs/dbraw/zinc/54/09/39/1424540939.db2.gz FETTURJMFQZJIJ-GUYCJALGSA-N -1 3 394.424 3.180 20 5 GGBDHM Cc1ccc(-c2nc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n[n-]2)o1 ZINC000160203405 1424587101 /nfs/dbraw/zinc/58/71/01/1424587101.db2.gz VSCFPLZUBUWNIJ-UHFFFAOYSA-N -1 3 399.410 3.480 20 5 GGBDHM Cc1ccc(-c2nc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)n[n-]2)o1 ZINC000160419711 1424603329 /nfs/dbraw/zinc/60/33/29/1424603329.db2.gz CFYIIQHUWCZNGW-UHFFFAOYSA-N -1 3 396.407 3.136 20 5 GGBDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)c2)n1 ZINC000161902854 1424792341 /nfs/dbraw/zinc/79/23/41/1424792341.db2.gz UGFBWNXLAXTLLB-UHFFFAOYSA-N -1 3 392.415 3.397 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c(C(F)(F)F)c1 ZINC000162919502 1424905578 /nfs/dbraw/zinc/90/55/78/1424905578.db2.gz LYLDNBVLYADDKM-NSHDSACASA-N -1 3 386.351 3.232 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c(C(F)(F)F)c1 ZINC000162919380 1424905761 /nfs/dbraw/zinc/90/57/61/1424905761.db2.gz LYLDNBVLYADDKM-LLVKDONJSA-N -1 3 386.351 3.232 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(C(F)(F)F)c1 ZINC000163476699 1425005398 /nfs/dbraw/zinc/00/53/98/1425005398.db2.gz NWWDONHSQLXGCF-UHOFOFEASA-N -1 3 398.362 3.230 20 5 GGBDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C2CC2)s1 ZINC000163867760 1425052311 /nfs/dbraw/zinc/05/23/11/1425052311.db2.gz SJBJAMPUTVGWSS-CQSZACIVSA-N -1 3 385.442 3.237 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)c(Cl)c1 ZINC000171041488 1425451215 /nfs/dbraw/zinc/45/12/15/1425451215.db2.gz CJNCIHUDTADOCZ-WBVHZDCISA-N -1 3 396.852 3.447 20 5 GGBDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000171713435 1425800583 /nfs/dbraw/zinc/80/05/83/1425800583.db2.gz HFGUUYVYSCYYSF-MRXNPFEDSA-N -1 3 389.458 3.260 20 5 GGBDHM O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)cc1-c1nn[n-]n1 ZINC000826499025 1426305849 /nfs/dbraw/zinc/30/58/49/1426305849.db2.gz SCAKGERJPQLLFB-INIZCTEOSA-N -1 3 383.412 3.007 20 5 GGBDHM O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)cc1-c1nnn[n-]1 ZINC000826499025 1426305856 /nfs/dbraw/zinc/30/58/56/1426305856.db2.gz SCAKGERJPQLLFB-INIZCTEOSA-N -1 3 383.412 3.007 20 5 GGBDHM O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000174711546 1427324215 /nfs/dbraw/zinc/32/42/15/1427324215.db2.gz VUKCCXSVXKXYOS-UHFFFAOYSA-N -1 3 391.796 3.043 20 5 GGBDHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000175817101 1427908072 /nfs/dbraw/zinc/90/80/72/1427908072.db2.gz ZIDSOWNRKWBKOS-UHFFFAOYSA-N -1 3 393.281 3.152 20 5 GGBDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000175827802 1427915208 /nfs/dbraw/zinc/91/52/08/1427915208.db2.gz DEYPYWXBGZRYGL-UHFFFAOYSA-N -1 3 387.783 3.149 20 5 GGBDHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000184665971 1430936005 /nfs/dbraw/zinc/93/60/05/1430936005.db2.gz KKKZCLWXNBSLBI-AWEZNQCLSA-N -1 3 391.449 3.174 20 5 GGBDHM COC(=O)c1cccc2[n-]c(NC(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)nc21 ZINC000185065018 1431052491 /nfs/dbraw/zinc/05/24/91/1431052491.db2.gz YCHYFZQQZNKQGO-SECBINFHSA-N -1 3 386.339 3.139 20 5 GGBDHM CCOC(=O)c1c(CC)c(C)sc1[N-]C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000185683918 1431204885 /nfs/dbraw/zinc/20/48/85/1431204885.db2.gz FONNQQUGDYNUSC-UHFFFAOYSA-N -1 3 380.426 3.242 20 5 GGBDHM C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c2c([O-])cccc21 ZINC000186293679 1431373553 /nfs/dbraw/zinc/37/35/53/1431373553.db2.gz WOUYHSKZBBIIGN-LLVKDONJSA-N -1 3 379.372 3.296 20 5 GGBDHM C[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c2c([O-])cccc21 ZINC000186293451 1431373619 /nfs/dbraw/zinc/37/36/19/1431373619.db2.gz WNJBSYGIWBXRNQ-GFCCVEGCSA-N -1 3 379.376 3.035 20 5 GGBDHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2Cc3ccccc3C2)c(C(F)(F)F)c1 ZINC000186369102 1431394158 /nfs/dbraw/zinc/39/41/58/1431394158.db2.gz OWTDADOGBJGCRC-UHFFFAOYSA-N -1 3 386.351 3.059 20 5 GGBDHM O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187540882 1431761381 /nfs/dbraw/zinc/76/13/81/1431761381.db2.gz JLCUNWIILWYBIN-UHFFFAOYSA-N -1 3 375.344 3.491 20 5 GGBDHM O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187559581 1431766747 /nfs/dbraw/zinc/76/67/47/1431766747.db2.gz VYZAIFGWYUVAJS-HNNXBMFYSA-N -1 3 379.376 3.070 20 5 GGBDHM O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187559604 1431766974 /nfs/dbraw/zinc/76/69/74/1431766974.db2.gz VYZAIFGWYUVAJS-OAHLLOKOSA-N -1 3 379.376 3.070 20 5 GGBDHM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187572493 1431770665 /nfs/dbraw/zinc/77/06/65/1431770665.db2.gz GFAHEWAUSDZZRA-UHFFFAOYSA-N -1 3 375.344 3.287 20 5 GGBDHM CCOC1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000188298490 1431870656 /nfs/dbraw/zinc/87/06/56/1431870656.db2.gz FOLMIUYMPHAZJZ-UHFFFAOYSA-N -1 3 396.387 3.097 20 5 GGBDHM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc(N2CCN(C(C)C)CC2)c1 ZINC000190794195 1432482681 /nfs/dbraw/zinc/48/26/81/1432482681.db2.gz AGCSNCQNFFLHIS-UHFFFAOYSA-N -1 3 398.463 3.392 20 5 GGBDHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000192865818 1432900797 /nfs/dbraw/zinc/90/07/97/1432900797.db2.gz JVAYPUSDIALLMX-MLGOLLRUSA-N -1 3 397.884 3.218 20 5 GGBDHM O=C(Nc1nnc(-c2c(F)cccc2Cl)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194027028 1433103570 /nfs/dbraw/zinc/10/35/70/1433103570.db2.gz PCNSHTPJYCGUPW-UHFFFAOYSA-N -1 3 395.759 3.259 20 5 GGBDHM Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000247999370 1433762450 /nfs/dbraw/zinc/76/24/50/1433762450.db2.gz RJYVFURQLLSJDZ-UHFFFAOYSA-N -1 3 395.462 3.002 20 5 GGBDHM COC(=O)c1cc([N-]C(=O)c2nc(C(C)C)ncc2Cl)cc([N+](=O)[O-])c1 ZINC000265464045 1434236725 /nfs/dbraw/zinc/23/67/25/1434236725.db2.gz CKZSAIRKVNJKBZ-UHFFFAOYSA-N -1 3 378.772 3.201 20 5 GGBDHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1csc([C@@H]2CCCO2)n1 ZINC000270114528 1434704439 /nfs/dbraw/zinc/70/44/39/1434704439.db2.gz GRCBOPUYPZPYBO-ZDUSSCGKSA-N -1 3 391.405 3.316 20 5 GGBDHM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCO1 ZINC000271655731 1434842259 /nfs/dbraw/zinc/84/22/59/1434842259.db2.gz ISISEMPIEQTDCX-ZWNOBZJWSA-N -1 3 396.387 3.096 20 5 GGBDHM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000276412255 1435210059 /nfs/dbraw/zinc/21/00/59/1435210059.db2.gz YISWCOYRRJPKMD-VIFPVBQESA-N -1 3 381.772 3.015 20 5 GGBDHM