smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C ZINC000588436187 1118733439 /nfs/dbraw/zinc/73/34/39/1118733439.db2.gz MSBRSXPZUSUBTC-QBFSEMIESA-N 0 0 296.326 3.945 10 5 CHBERN CCC(CC)CNc1cc(F)c(F)cc1[N+](=O)[O-] ZINC000083429752 178435884 /nfs/dbraw/zinc/43/58/84/178435884.db2.gz IWZRXFHLKLHONR-UHFFFAOYSA-N 0 0 258.268 3.721 10 5 CHBERN CSc1ccc(Oc2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000104330231 185971883 /nfs/dbraw/zinc/97/18/83/185971883.db2.gz NUIIPJXTTRCIAC-UHFFFAOYSA-N 0 0 297.723 3.552 10 5 CHBERN CCC(CC)[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000104439668 186001988 /nfs/dbraw/zinc/00/19/88/186001988.db2.gz HMBBKKSUHLEPOI-SNVBAGLBSA-N 0 0 251.330 3.535 10 5 CHBERN Cc1ccc(Oc2cc(N)cc([N+](=O)[O-])c2)c(C)c1 ZINC000005935491 170157507 /nfs/dbraw/zinc/15/75/07/170157507.db2.gz ZMPANYAAXQFHCE-UHFFFAOYSA-N 0 0 258.277 3.586 10 5 CHBERN O=[N+]([O-])c1ccccc1N[C@H]1CCOc2ccccc21 ZINC000007186715 170270227 /nfs/dbraw/zinc/27/02/27/170270227.db2.gz CPGNLMGPPAZTHM-LBPRGKRZSA-N 0 0 270.288 3.531 10 5 CHBERN CC(C)(C)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000007844624 170304861 /nfs/dbraw/zinc/30/48/61/170304861.db2.gz MEFZZBSZQMTRLV-UHFFFAOYSA-N 0 0 277.349 3.929 10 5 CHBERN CC[C@@H]1CCCCN1C(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000013829283 170601875 /nfs/dbraw/zinc/60/18/75/170601875.db2.gz SWKVEYGSGUBRLO-GFCCVEGCSA-N 0 0 293.392 3.556 10 5 CHBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccncc1 ZINC000015172259 170658568 /nfs/dbraw/zinc/65/85/68/170658568.db2.gz VXENHPRNDPTIDD-SECBINFHSA-N 0 0 277.711 3.816 10 5 CHBERN Cc1cc(C)cc(Oc2ccc([N+](=O)[O-])cc2C=O)c1 ZINC000020368575 171167224 /nfs/dbraw/zinc/16/72/24/171167224.db2.gz FDHALBBEZWFQCT-UHFFFAOYSA-N 0 0 271.272 3.816 10 5 CHBERN O=[N+]([O-])c1cnccc1Oc1cccc(Br)c1 ZINC000020370123 171167392 /nfs/dbraw/zinc/16/73/92/171167392.db2.gz DPUQTLWRSWRRLH-UHFFFAOYSA-N 0 0 295.092 3.545 10 5 CHBERN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccccc1CO ZINC000020435077 171200406 /nfs/dbraw/zinc/20/04/06/171200406.db2.gz REGQAQSZGAMPLO-UHFFFAOYSA-N 0 0 279.679 3.533 10 5 CHBERN O=[N+]([O-])c1ccc(-c2nnc(C3CCCCC3)o2)cc1 ZINC000021004259 171284976 /nfs/dbraw/zinc/28/49/76/171284976.db2.gz VKUZJDPUXXZEMW-UHFFFAOYSA-N 0 0 273.292 3.693 10 5 CHBERN COc1ccccc1CNc1cc([N+](=O)[O-])ccc1C ZINC000035223849 172068093 /nfs/dbraw/zinc/06/80/93/172068093.db2.gz VAHMETHIJLIIMK-UHFFFAOYSA-N 0 0 272.304 3.524 10 5 CHBERN CCOc1ccccc1CNc1cccc([N+](=O)[O-])c1C ZINC000035224158 172068778 /nfs/dbraw/zinc/06/87/78/172068778.db2.gz LYAHVZDOGKNHIG-UHFFFAOYSA-N 0 0 286.331 3.914 10 5 CHBERN COc1ccccc1CNc1cccc([N+](=O)[O-])c1C ZINC000035224156 172068793 /nfs/dbraw/zinc/06/87/93/172068793.db2.gz OFJMSOAGURDJNM-UHFFFAOYSA-N 0 0 272.304 3.524 10 5 CHBERN CCCCCCNc1cc([N+](=O)[O-])ccc1OC ZINC000037058273 172924669 /nfs/dbraw/zinc/92/46/69/172924669.db2.gz MDUKAZIHJBWCDM-UHFFFAOYSA-N 0 0 252.314 3.596 10 5 CHBERN CCc1ccc(NCc2csc(C)n2)cc1[N+](=O)[O-] ZINC000037104554 172957537 /nfs/dbraw/zinc/95/75/37/172957537.db2.gz QRJAYHILCHBDOV-UHFFFAOYSA-N 0 0 277.349 3.534 10 5 CHBERN Cc1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000037331719 173132626 /nfs/dbraw/zinc/13/26/26/173132626.db2.gz DNRIFDYLLLONGN-UHFFFAOYSA-N 0 0 263.684 3.695 10 5 CHBERN CC(C)(C)CC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000037364309 173153971 /nfs/dbraw/zinc/15/39/71/173153971.db2.gz FWUPTPCLPJCSDU-UHFFFAOYSA-N 0 0 260.293 3.695 10 5 CHBERN CC(=O)c1ccc(Oc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000037978199 173935409 /nfs/dbraw/zinc/93/54/09/173935409.db2.gz WDCPUCHUZDMYNP-UHFFFAOYSA-N 0 0 275.235 3.729 10 5 CHBERN Nc1cccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000038056475 174067694 /nfs/dbraw/zinc/06/76/94/174067694.db2.gz VAVKJOZUJYEKAS-UHFFFAOYSA-N 0 0 264.668 3.623 10 5 CHBERN O=Cc1c(Cl)cccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000038080237 174090040 /nfs/dbraw/zinc/09/00/40/174090040.db2.gz BVKGXRITURRTAJ-UHFFFAOYSA-N 0 0 277.663 3.853 10 5 CHBERN O=[N+]([O-])c1cc(Cl)ccc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000301405607 227529153 /nfs/dbraw/zinc/52/91/53/227529153.db2.gz GNNFKULZSRWJKR-GHMZBOCLSA-N 0 0 278.739 3.651 10 5 CHBERN Cc1ccc(Oc2ncc([N+](=O)[O-])cc2C)cc1F ZINC000302841069 227892047 /nfs/dbraw/zinc/89/20/47/227892047.db2.gz CTUGSGJBXVMTFX-UHFFFAOYSA-N 0 0 262.240 3.538 10 5 CHBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1COc2ccccc21 ZINC000070198953 260153979 /nfs/dbraw/zinc/15/39/79/260153979.db2.gz UDXANTOSEIZUFJ-LBPRGKRZSA-N 0 0 290.706 3.794 10 5 CHBERN Cc1ccnc(N[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000070496270 260158112 /nfs/dbraw/zinc/15/81/12/260158112.db2.gz HQDVWHGPTNKQKJ-AWEZNQCLSA-N 0 0 283.331 3.788 10 5 CHBERN Cc1cccc([N+](=O)[O-])c1N[C@H](C)c1cccc(O)c1 ZINC000174719618 261193841 /nfs/dbraw/zinc/19/38/41/261193841.db2.gz JHZZHAWLMCOPQC-LLVKDONJSA-N 0 0 272.304 3.782 10 5 CHBERN Cc1ccc([C@@H](C)Nc2cc(C)ccc2[N+](=O)[O-])o1 ZINC000094659464 262461872 /nfs/dbraw/zinc/46/18/72/262461872.db2.gz ZAWRFRBWAYABNX-LLVKDONJSA-N 0 0 260.293 3.978 10 5 CHBERN COc1cc(N[C@H](C)c2cccs2)c(F)cc1[N+](=O)[O-] ZINC000218838098 333137051 /nfs/dbraw/zinc/13/70/51/333137051.db2.gz YQGASZUXVLASBE-MRVPVSSYSA-N 0 0 296.323 3.977 10 5 CHBERN Cc1csc([C@H](C)Nc2cccc(C)c2[N+](=O)[O-])n1 ZINC000218848962 333137165 /nfs/dbraw/zinc/13/71/65/333137165.db2.gz HCTIJQPSNUBIPJ-JTQLQIEISA-N 0 0 277.349 3.841 10 5 CHBERN CCS[C@@H]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000230922452 333322615 /nfs/dbraw/zinc/32/26/15/333322615.db2.gz RUMJGOGBPFMKAJ-WDEREUQCSA-N 0 0 284.356 3.820 10 5 CHBERN Cc1ccc(NCC2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000543851628 333903185 /nfs/dbraw/zinc/90/31/85/333903185.db2.gz MYGGUIDOIBBYJZ-VXGBXAGGSA-N 0 0 278.352 3.519 10 5 CHBERN CCc1cnc([C@@H](C)Nc2cccc(F)c2[N+](=O)[O-])s1 ZINC000134925717 334108630 /nfs/dbraw/zinc/10/86/30/334108630.db2.gz PZPAUJAORAMOEV-MRVPVSSYSA-N 0 0 295.339 3.926 10 5 CHBERN CCCCC[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812613 520308994 /nfs/dbraw/zinc/30/89/94/520308994.db2.gz JOPQRVIDYJCESW-NSHDSACASA-N 0 0 251.330 3.679 10 5 CHBERN COC[C@@H](Nc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000234678337 522380290 /nfs/dbraw/zinc/38/02/90/522380290.db2.gz MJLJULZRGJMBIQ-CQSZACIVSA-N 0 0 290.294 3.534 10 5 CHBERN CO[C@H]1CCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000227760027 523983574 /nfs/dbraw/zinc/98/35/74/523983574.db2.gz QGOSRHDJRYKVHK-QWRGUYRKSA-N 0 0 284.743 3.618 10 5 CHBERN Cc1ccccc1[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189684853 525419270 /nfs/dbraw/zinc/41/92/70/525419270.db2.gz GDPCOUYKKGEYKP-VIFPVBQESA-N 0 0 263.322 3.533 10 5 CHBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000052812216 525578870 /nfs/dbraw/zinc/57/88/70/525578870.db2.gz FLVYGEFIHYQTPZ-XHVZSJERSA-N 0 0 263.341 3.535 10 5 CHBERN CCC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000003205155 567852153 /nfs/dbraw/zinc/85/21/53/567852153.db2.gz XFEUUTNTQBFAQY-UHFFFAOYSA-N 0 0 252.269 3.539 10 5 CHBERN CCn1cc(C(F)F)c(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000725271192 567924610 /nfs/dbraw/zinc/92/46/10/567924610.db2.gz ZDGJUPKVQMKEFO-UHFFFAOYSA-N 0 0 285.225 3.555 10 5 CHBERN CCN(c1ccccc1)c1ccc(C=O)c([N+](=O)[O-])c1 ZINC000725272365 567925012 /nfs/dbraw/zinc/92/50/12/567925012.db2.gz PKDFVYGVQQAALA-UHFFFAOYSA-N 0 0 270.288 3.565 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCCC(C)(C)C2)c1 ZINC000408418252 1121435737 /nfs/dbraw/zinc/43/57/37/1121435737.db2.gz WCXZVWHUSORKIR-UHFFFAOYSA-N 0 0 290.363 3.556 10 5 CHBERN COc1cc(NCC2CCCCC2)ccc1[N+](=O)[O-] ZINC000104246513 185941845 /nfs/dbraw/zinc/94/18/45/185941845.db2.gz UKBMRDFEYVZOBS-UHFFFAOYSA-N 0 0 264.325 3.596 10 5 CHBERN COc1ncc(-c2cccc([N+](=O)[O-])c2)c2c(O)cccc12 ZINC000090555773 180003713 /nfs/dbraw/zinc/00/37/13/180003713.db2.gz MJADEHBNLZZGND-UHFFFAOYSA-N 0 0 296.282 3.524 10 5 CHBERN Cc1cc2ccccc2c2ccc3c(c12)C=C[C@@H](O)[C@H]3O ZINC000001996302 169765944 /nfs/dbraw/zinc/76/59/44/169765944.db2.gz ZUQHOPBWKPIZSS-MJGOQNOKSA-N 0 0 276.335 3.723 10 5 CHBERN Nc1cc(Oc2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000005936689 170158602 /nfs/dbraw/zinc/15/86/02/170158602.db2.gz HXXOARYRIWTJSC-UHFFFAOYSA-N 0 0 264.668 3.623 10 5 CHBERN O[C@H]1c2ccc3ccc4cccc5cc(c2c3c45)[C@@H]1O ZINC000006094855 170176026 /nfs/dbraw/zinc/17/60/26/170176026.db2.gz ZICJXVAIOSTCST-ROUUACIJSA-N 0 0 260.292 3.664 10 5 CHBERN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000006330196 170192001 /nfs/dbraw/zinc/19/20/01/170192001.db2.gz WQVFIWZMCYSBCB-UHFFFAOYSA-N 0 0 282.727 3.767 10 5 CHBERN CC(C)[C@@H](C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006564340 170213637 /nfs/dbraw/zinc/21/36/37/170213637.db2.gz CZUNMONLJTXMQD-MRXNPFEDSA-N 0 0 298.342 3.973 10 5 CHBERN Cc1ccc(-c2nc3cc([N+](=O)[O-])ccc3o2)cc1[N+](=O)[O-] ZINC000018042313 170740749 /nfs/dbraw/zinc/74/07/49/170740749.db2.gz GQLVKPFAAHYBQV-UHFFFAOYSA-N 0 0 299.242 3.620 10 5 CHBERN O=Cc1cc([N+](=O)[O-])ccc1Oc1ccc2c(c1)CCC2 ZINC000020368583 171167197 /nfs/dbraw/zinc/16/71/97/171167197.db2.gz VUPZCLDLMPLKJQ-UHFFFAOYSA-N 0 0 283.283 3.688 10 5 CHBERN COc1ccc(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000021039542 171293468 /nfs/dbraw/zinc/29/34/68/171293468.db2.gz BIYOWOKKVPAKFV-NTZNESFSSA-N 0 0 278.352 3.840 10 5 CHBERN C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccco1 ZINC000035135128 172002349 /nfs/dbraw/zinc/00/23/49/172002349.db2.gz YYLONIXECAXBPY-SNVBAGLBSA-N 0 0 283.287 3.909 10 5 CHBERN COc1ccc(CNc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000035223862 172067766 /nfs/dbraw/zinc/06/77/66/172067766.db2.gz YZQKYTLBYPIOKE-UHFFFAOYSA-N 0 0 272.304 3.524 10 5 CHBERN C[C@@H](Nc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000035223774 172067783 /nfs/dbraw/zinc/06/77/83/172067783.db2.gz PHWUUCXXSLOBSV-SNVBAGLBSA-N 0 0 287.275 3.676 10 5 CHBERN COc1ccc(NCc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000035255026 172084683 /nfs/dbraw/zinc/08/46/83/172084683.db2.gz ROXPHKMGJQUSTN-UHFFFAOYSA-N 0 0 298.751 3.930 10 5 CHBERN O=C(c1ccc([N+](=O)[O-])o1)c1ccc(Cl)c(Cl)c1 ZINC000035379339 172162543 /nfs/dbraw/zinc/16/25/43/172162543.db2.gz FYFAPDBDMNAWPJ-UHFFFAOYSA-N 0 0 286.070 3.726 10 5 CHBERN O=[N+]([O-])c1cc(F)cc(NCCC2CCCC2)c1 ZINC000037741471 173662921 /nfs/dbraw/zinc/66/29/21/173662921.db2.gz YYWIODXOSBKDDO-UHFFFAOYSA-N 0 0 252.289 3.726 10 5 CHBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1ccc(F)cc1 ZINC000038082292 174091069 /nfs/dbraw/zinc/09/10/69/174091069.db2.gz BKRWAHPCPAMTOT-UHFFFAOYSA-N 0 0 268.631 3.575 10 5 CHBERN CC(C)OCCS[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000105638027 261314176 /nfs/dbraw/zinc/31/41/76/261314176.db2.gz IXIPTZVKSXYBDX-NSHDSACASA-N 0 0 269.366 3.814 10 5 CHBERN COc1ccc(F)c(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000094854296 265263930 /nfs/dbraw/zinc/26/39/30/265263930.db2.gz ZMYMZVGIDXXFHU-JTQLQIEISA-N 0 0 290.294 3.916 10 5 CHBERN COc1ccc(F)c(N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000094854297 265264343 /nfs/dbraw/zinc/26/43/43/265264343.db2.gz ZMYMZVGIDXXFHU-SNVBAGLBSA-N 0 0 290.294 3.916 10 5 CHBERN CC(C)(C)SCCNc1cc(F)ccc1[N+](=O)[O-] ZINC000302824327 327721947 /nfs/dbraw/zinc/72/19/47/327721947.db2.gz WQARJUCVVFGJLC-UHFFFAOYSA-N 0 0 272.345 3.678 10 5 CHBERN CC[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000049146456 328349435 /nfs/dbraw/zinc/34/94/35/328349435.db2.gz FXQNTGUHSSYHSG-CYBMUJFWSA-N 0 0 273.336 3.990 10 5 CHBERN O=[N+]([O-])c1ccccc1N[C@H]1CCc2c1cccc2F ZINC000049322130 328354870 /nfs/dbraw/zinc/35/48/70/328354870.db2.gz HWRHZTHPDSUGTI-ZDUSSCGKSA-N 0 0 272.279 3.833 10 5 CHBERN CCC1CCC(Nc2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000092026918 327184059 /nfs/dbraw/zinc/18/40/59/327184059.db2.gz QLPVZAYQWASAMJ-UHFFFAOYSA-N 0 0 263.341 3.679 10 5 CHBERN CCSCC[C@H](C)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218864456 329084835 /nfs/dbraw/zinc/08/48/35/329084835.db2.gz XXDVKBBNSRJDFU-NSHDSACASA-N 0 0 268.382 3.847 10 5 CHBERN CCNc1ccc(COCCC(C)C)cc1[N+](=O)[O-] ZINC000050831534 520303743 /nfs/dbraw/zinc/30/37/43/520303743.db2.gz GJKQSUIXDZFIFF-UHFFFAOYSA-N 0 0 266.341 3.589 10 5 CHBERN CCCNc1ccc([N+](=O)[O-])cc1CO[C@H](C)CC ZINC000050833272 520173024 /nfs/dbraw/zinc/17/30/24/520173024.db2.gz AJRJAWGRGMBPJS-LLVKDONJSA-N 0 0 266.341 3.732 10 5 CHBERN CCc1ccccc1Oc1ccc([N+](=O)[O-])cc1N ZINC000052841769 521927157 /nfs/dbraw/zinc/92/71/57/521927157.db2.gz GQZKLONJOKDNKX-UHFFFAOYSA-N 0 0 258.277 3.532 10 5 CHBERN CC[C@H](Nc1ccc([N+](=O)[O-])cc1N)c1cccs1 ZINC000052841037 522771574 /nfs/dbraw/zinc/77/15/74/522771574.db2.gz SSBUGDURMZZKQL-NSHDSACASA-N 0 0 277.349 3.802 10 5 CHBERN Cc1cc(CSCc2cccc([N+](=O)[O-])c2C)no1 ZINC000105626151 524815911 /nfs/dbraw/zinc/81/59/11/524815911.db2.gz UIYASGKEHBIKKA-UHFFFAOYSA-N 0 0 278.333 3.633 10 5 CHBERN Cc1ccc(Nc2ccc([N+](=O)[O-])cc2N)c(C)c1 ZINC000052840346 525322507 /nfs/dbraw/zinc/32/25/07/525322507.db2.gz TVWASDYOPRKWMQ-UHFFFAOYSA-N 0 0 257.293 3.537 10 5 CHBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000052812218 525577866 /nfs/dbraw/zinc/57/78/66/525577866.db2.gz FLVYGEFIHYQTPZ-SUZMYJTESA-N 0 0 263.341 3.535 10 5 CHBERN O=[N+]([O-])c1ccc(Oc2ccc(CCO)cc2)c(Cl)c1 ZINC000157311534 527373719 /nfs/dbraw/zinc/37/37/19/527373719.db2.gz VEPIHRHRRLJPAM-UHFFFAOYSA-N 0 0 293.706 3.575 10 5 CHBERN Cc1cc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000105626318 1125436862 /nfs/dbraw/zinc/43/68/62/1125436862.db2.gz NYDYRIHQYMZKHH-SNVBAGLBSA-N 0 0 278.333 3.886 10 5 CHBERN CC(C)(C)OC(=O)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000095756235 185026107 /nfs/dbraw/zinc/02/61/07/185026107.db2.gz YNBNZOOBBFXYAA-UHFFFAOYSA-N 0 0 272.688 3.595 10 5 CHBERN CC(C)(C)c1cc2ccc3ncccc3c2nc1N ZINC000103925250 185862247 /nfs/dbraw/zinc/86/22/47/185862247.db2.gz XVEUWORXZZGVJQ-UHFFFAOYSA-N 0 0 251.333 3.663 10 5 CHBERN CC1(CNc2c(F)c(F)ccc2[N+](=O)[O-])CCCC1 ZINC000104447457 186005747 /nfs/dbraw/zinc/00/57/47/186005747.db2.gz BYSXFVMEYZCTSP-UHFFFAOYSA-N 0 0 270.279 3.865 10 5 CHBERN O=[N+]([O-])c1cnccc1Nc1cccc2ccccc21 ZINC000005332275 170086660 /nfs/dbraw/zinc/08/66/60/170086660.db2.gz CRQNFCCINFKHNQ-UHFFFAOYSA-N 0 0 265.272 3.887 10 5 CHBERN CCC[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005591488 170117123 /nfs/dbraw/zinc/11/71/23/170117123.db2.gz MORZBVCYUMVCJZ-QMMMGPOBSA-N 0 0 270.716 3.623 10 5 CHBERN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1F ZINC000005867434 170148913 /nfs/dbraw/zinc/14/89/13/170148913.db2.gz SZLGXGRBZWQMOX-UHFFFAOYSA-N 0 0 294.669 3.640 10 5 CHBERN O=C(Nc1ccc(Cl)cc1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000007128390 170268165 /nfs/dbraw/zinc/26/81/65/170268165.db2.gz UPPYMZJOPLIGTE-UHFFFAOYSA-N 0 0 294.669 3.640 10 5 CHBERN COc1ccc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000021039556 171293474 /nfs/dbraw/zinc/29/34/74/171293474.db2.gz BIYOWOKKVPAKFV-GMXVVIOVSA-N 0 0 278.352 3.840 10 5 CHBERN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000035135047 172002099 /nfs/dbraw/zinc/00/20/99/172002099.db2.gz JTBLJLJRWLDPAP-ZETCQYMHSA-N 0 0 274.242 3.824 10 5 CHBERN C[C@H](Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 ZINC000035224011 172067754 /nfs/dbraw/zinc/06/77/54/172067754.db2.gz WDUCUMAJSBKYIE-JTQLQIEISA-N 0 0 260.268 3.907 10 5 CHBERN CCOc1ccc(CNc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000035223852 172068228 /nfs/dbraw/zinc/06/82/28/172068228.db2.gz QVJJSZSDDCPJGM-UHFFFAOYSA-N 0 0 286.331 3.914 10 5 CHBERN Cc1nc2cc(N[C@H](C)C(C)C)c([N+](=O)[O-])cc2s1 ZINC000035342581 172134471 /nfs/dbraw/zinc/13/44/71/172134471.db2.gz IUSJUYJLDZJEHM-MRVPVSSYSA-N 0 0 279.365 3.969 10 5 CHBERN CCN(c1ccc([C@@H](C)O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000035631333 172313725 /nfs/dbraw/zinc/31/37/25/172313725.db2.gz HKEJVWBMHJAASL-GFCCVEGCSA-N 0 0 292.379 3.807 10 5 CHBERN C[C@@H](O)c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000035632283 172314761 /nfs/dbraw/zinc/31/47/61/172314761.db2.gz JWJHGMOTNLPZCN-SECBINFHSA-N 0 0 277.251 3.580 10 5 CHBERN Cc1ccc(Cl)cc1NCc1ccc([N+](=O)[O-])o1 ZINC000037184669 173016579 /nfs/dbraw/zinc/01/65/79/173016579.db2.gz DYITWPCVYLFCFI-UHFFFAOYSA-N 0 0 266.684 3.762 10 5 CHBERN Cc1ncsc1[C@@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000037298949 173103530 /nfs/dbraw/zinc/10/35/30/173103530.db2.gz BKPRUEOAQKKWKL-SNVBAGLBSA-N 0 0 277.349 3.841 10 5 CHBERN CO[C@@H]1CCCC[C@H]1Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037299417 173104509 /nfs/dbraw/zinc/10/45/09/173104509.db2.gz WSQIWCQHTCILAE-DGCLKSJQSA-N 0 0 284.743 3.618 10 5 CHBERN CCc1ncc(CNc2cc([N+](=O)[O-])ccc2C)s1 ZINC000037924358 173862786 /nfs/dbraw/zinc/86/27/86/173862786.db2.gz YBWGCZQFRPFWEC-UHFFFAOYSA-N 0 0 277.349 3.534 10 5 CHBERN CCN(c1cccc(C)c1)c1ncnc(Cl)c1[N+](=O)[O-] ZINC000040571102 174338258 /nfs/dbraw/zinc/33/82/58/174338258.db2.gz GGFZWNKXPMRMNY-UHFFFAOYSA-N 0 0 292.726 3.505 10 5 CHBERN C[C@@H](Cc1cccs1)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000071272808 176105419 /nfs/dbraw/zinc/10/54/19/176105419.db2.gz YGJNKYGMFPCRSP-QMMMGPOBSA-N 0 0 297.767 3.748 10 5 CHBERN CC(C)[C@@H](C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000213984915 260217549 /nfs/dbraw/zinc/21/75/49/260217549.db2.gz FAXKKQXINXMTAH-SNVBAGLBSA-N 0 0 259.309 3.599 10 5 CHBERN CC(C)(C)c1nc(CNc2ccc([N+](=O)[O-])cc2)cs1 ZINC000091477997 260265961 /nfs/dbraw/zinc/26/59/61/260265961.db2.gz MNLJNNZZKRYFGY-UHFFFAOYSA-N 0 0 291.376 3.961 10 5 CHBERN CC(C)n1ccnc1CSCc1ccc([N+](=O)[O-])cc1 ZINC000175313246 260402471 /nfs/dbraw/zinc/40/24/71/260402471.db2.gz QXFLZPGQYSDVNQ-UHFFFAOYSA-N 0 0 291.376 3.806 10 5 CHBERN CCc1ccsc1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161570578 261095720 /nfs/dbraw/zinc/09/57/20/261095720.db2.gz WJFJZLVYMVWPMY-UHFFFAOYSA-N 0 0 277.349 3.534 10 5 CHBERN C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000070942099 264243268 /nfs/dbraw/zinc/24/32/68/264243268.db2.gz ZZKYIMJLUDYNDX-ZETCQYMHSA-N 0 0 283.740 3.878 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000178150448 329196675 /nfs/dbraw/zinc/19/66/75/329196675.db2.gz AIYDWRHVBGJEJW-VIFPVBQESA-N 0 0 293.273 3.750 10 5 CHBERN CC[C@H](Nc1cc(OC)c([N+](=O)[O-])cc1F)C(C)C ZINC000218846605 333137185 /nfs/dbraw/zinc/13/71/85/333137185.db2.gz XFZPGMAOMGARHT-JTQLQIEISA-N 0 0 270.304 3.589 10 5 CHBERN CCS[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000230922759 333322768 /nfs/dbraw/zinc/32/27/68/333322768.db2.gz VQWXEQVZSPTXOF-MWLCHTKSSA-N 0 0 284.356 3.820 10 5 CHBERN CCC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000231662125 333327236 /nfs/dbraw/zinc/32/72/36/333327236.db2.gz TVZBRTHIDFOCMX-IINYFYTJSA-N 0 0 271.320 3.744 10 5 CHBERN COc1cc(N[C@H](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000070307328 333807068 /nfs/dbraw/zinc/80/70/68/333807068.db2.gz OBXXESODCJEPNY-SNVBAGLBSA-N 0 0 264.325 3.594 10 5 CHBERN Cc1cccc(NCC2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000549563993 334198167 /nfs/dbraw/zinc/19/81/67/334198167.db2.gz BUKFPRAGPMIHRP-RYUDHWBXSA-N 0 0 278.352 3.519 10 5 CHBERN CCC[C@H](CC)Nc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000053164765 521083419 /nfs/dbraw/zinc/08/34/19/521083419.db2.gz RSOBWSRGBJBBIR-QMMMGPOBSA-N 0 0 258.268 3.864 10 5 CHBERN CC[C@@H](O)c1ccc(-c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000054107567 523010745 /nfs/dbraw/zinc/01/07/45/523010745.db2.gz TXKMIKCTDBFUMH-GFCCVEGCSA-N 0 0 261.277 3.607 10 5 CHBERN CN(c1cccc(F)c1)c1cccc(F)c1[N+](=O)[O-] ZINC000054269718 523647027 /nfs/dbraw/zinc/64/70/27/523647027.db2.gz GAPRRVCEQQYYRE-UHFFFAOYSA-N 0 0 264.231 3.641 10 5 CHBERN Cc1cc(N[C@@H]2CCCSC2)c([N+](=O)[O-])cc1C ZINC000061589472 525296418 /nfs/dbraw/zinc/29/64/18/525296418.db2.gz CCZMIHHFBNAZJJ-LLVKDONJSA-N 0 0 266.366 3.519 10 5 CHBERN Cc1ccc(Oc2cc(F)cc(C=O)c2)c([N+](=O)[O-])c1 ZINC000225516730 525471856 /nfs/dbraw/zinc/47/18/56/525471856.db2.gz SOMZIUBQFHVMMB-UHFFFAOYSA-N 0 0 275.235 3.647 10 5 CHBERN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1ccsc1 ZINC000061364456 525577805 /nfs/dbraw/zinc/57/78/05/525577805.db2.gz LQPFVCLFESJYDU-SECBINFHSA-N 0 0 263.322 3.533 10 5 CHBERN C[C@H](Nc1cc([N+](=O)[O-])ccc1F)C1CCCC1 ZINC000054079465 525646398 /nfs/dbraw/zinc/64/63/98/525646398.db2.gz LMGMRJNXZLBPFX-VIFPVBQESA-N 0 0 252.289 3.725 10 5 CHBERN CSc1ccc(Nc2ccc([N+](=O)[O-])cc2N)cc1 ZINC000052840305 526046269 /nfs/dbraw/zinc/04/62/69/526046269.db2.gz JBHBDGPUIIEUNU-UHFFFAOYSA-N 0 0 275.333 3.643 10 5 CHBERN O=C1CCCCC[C@H]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444295 526970517 /nfs/dbraw/zinc/97/05/17/526970517.db2.gz RMBSHWSMOSJOAF-NSHDSACASA-N 0 0 281.739 3.940 10 5 CHBERN Nc1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1F ZINC000052841874 527461688 /nfs/dbraw/zinc/46/16/88/527461688.db2.gz LSGSUQKDHSUZOG-UHFFFAOYSA-N 0 0 282.271 3.606 10 5 CHBERN CC[C@H]1CCCCN1c1cc(F)ccc1[N+](=O)[O-] ZINC000302861658 529202199 /nfs/dbraw/zinc/20/21/99/529202199.db2.gz QESFMIDHMKMKPX-NSHDSACASA-N 0 0 252.289 3.503 10 5 CHBERN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3CCO3)cc2)c1 ZINC000725265079 567923350 /nfs/dbraw/zinc/92/33/50/567923350.db2.gz CZKQFWFXJGETIZ-HNNXBMFYSA-N 0 0 255.273 3.723 10 5 CHBERN C[N+](C)([O-])CC[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000575627569 717184313 /nfs/dbraw/zinc/18/43/13/717184313.db2.gz YNFDRQZHRNYXFR-OAHLLOKOSA-N 0 0 291.802 3.723 10 5 CHBERN O=[N+]([O-])c1cccc2c(-c3ccccc3)ccnc21 ZINC000013282581 230371164 /nfs/dbraw/zinc/37/11/64/230371164.db2.gz NKDNDDSXVZUMQC-UHFFFAOYSA-N 0 0 250.257 3.810 10 5 CHBERN Cc1ccccc1CNc1ccc([N+](=O)[O-])c(F)c1 ZINC000083439206 178450004 /nfs/dbraw/zinc/45/00/04/178450004.db2.gz SRGCXIMBRUVFNU-UHFFFAOYSA-N 0 0 260.268 3.654 10 5 CHBERN CCOC(=O)c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000086577390 179308284 /nfs/dbraw/zinc/30/82/84/179308284.db2.gz SIMJQIWXQVDJNY-UHFFFAOYSA-N 0 0 287.271 3.564 10 5 CHBERN C[C@@H](O)c1ccc(Sc2cccs2)c([N+](=O)[O-])c1 ZINC000104295953 185957365 /nfs/dbraw/zinc/95/73/65/185957365.db2.gz BUEOVNDWQGVEIV-MRVPVSSYSA-N 0 0 281.358 3.861 10 5 CHBERN O=[N+]([O-])c1cccc(Cl)c1CNCc1ccccc1 ZINC000104316089 185965071 /nfs/dbraw/zinc/96/50/71/185965071.db2.gz BOXCJDZYNOUWSC-UHFFFAOYSA-N 0 0 276.723 3.538 10 5 CHBERN C[C@@H](CC(=O)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000104447922 186006396 /nfs/dbraw/zinc/00/63/96/186006396.db2.gz QVSCXSMMZPRMAP-NSHDSACASA-N 0 0 263.337 3.779 10 5 CHBERN O=[N+]([O-])c1cc(Cl)c2ncc(Br)cc2c1 ZINC000091301398 180128648 /nfs/dbraw/zinc/12/86/48/180128648.db2.gz YTRKUHPOCUQJQJ-UHFFFAOYSA-N 0 0 287.500 3.559 10 5 CHBERN COc1ccc(NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000005320630 170085693 /nfs/dbraw/zinc/08/56/93/170085693.db2.gz ZLOVVVIVTHGPAS-UHFFFAOYSA-N 0 0 292.722 3.869 10 5 CHBERN O=C(COc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC000005869545 170149240 /nfs/dbraw/zinc/14/92/40/170149240.db2.gz GZOQTJGTFSXATI-UHFFFAOYSA-N 0 0 291.690 3.510 10 5 CHBERN CCCCCCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000006041996 170170982 /nfs/dbraw/zinc/17/09/82/170170982.db2.gz BWBHIMYHBOBSQP-UHFFFAOYSA-N 0 0 264.325 3.812 10 5 CHBERN O=[N+]([O-])c1cc2ccc3cc([N+](=O)[O-])cc4c3c2c(c1)CC4 ZINC000006094446 170175708 /nfs/dbraw/zinc/17/57/08/170175708.db2.gz GJWKESBGGYFNFA-UHFFFAOYSA-N 0 0 294.266 3.908 10 5 CHBERN Cc1ccc(CNc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000035047049 171951090 /nfs/dbraw/zinc/95/10/90/171951090.db2.gz YFOWPEAKZLBCRQ-UHFFFAOYSA-N 0 0 256.305 3.824 10 5 CHBERN C[C@H](Nc1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000035207736 172052533 /nfs/dbraw/zinc/05/25/33/172052533.db2.gz LMGCDIFABFMLPM-JTQLQIEISA-N 0 0 283.287 3.909 10 5 CHBERN COc1ccc(NCc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000035229888 172070156 /nfs/dbraw/zinc/07/01/56/172070156.db2.gz VSCNAMIYRUZIPY-UHFFFAOYSA-N 0 0 272.304 3.524 10 5 CHBERN CC(C)[C@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000035343510 172135958 /nfs/dbraw/zinc/13/59/58/172135958.db2.gz UTMLDGVFMZVJMQ-JTQLQIEISA-N 0 0 259.309 3.599 10 5 CHBERN Cc1ccc(CNc2cc([N+](=O)[O-])ccc2F)s1 ZINC000037060252 172925186 /nfs/dbraw/zinc/92/51/86/172925186.db2.gz FKHRZGINOMYVDB-UHFFFAOYSA-N 0 0 266.297 3.716 10 5 CHBERN Nc1cc(F)ccc1SCc1ccc([N+](=O)[O-])cc1 ZINC000037194925 173024098 /nfs/dbraw/zinc/02/40/98/173024098.db2.gz BHDMINUEECNHAX-UHFFFAOYSA-N 0 0 278.308 3.608 10 5 CHBERN Cc1ncsc1[C@@H](C)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000037299310 173104449 /nfs/dbraw/zinc/10/44/49/173104449.db2.gz DDONLTZRHKGBFK-MRVPVSSYSA-N 0 0 281.312 3.672 10 5 CHBERN Cc1ccc(NCc2csc([N+](=O)[O-])c2)c(C)c1O ZINC000037563075 173510514 /nfs/dbraw/zinc/51/05/14/173510514.db2.gz WARBELRSDLPTHE-UHFFFAOYSA-N 0 0 278.333 3.591 10 5 CHBERN O=C1CCCCC[C@@H]1CCc1ccc([N+](=O)[O-])cc1 ZINC000043650132 175085344 /nfs/dbraw/zinc/08/53/44/175085344.db2.gz OUPNLLVLWJIDPW-CYBMUJFWSA-N 0 0 261.321 3.677 10 5 CHBERN O=[N+]([O-])c1cc(F)ccc1Oc1ccc(F)cc1[N+](=O)[O-] ZINC000301178208 227466963 /nfs/dbraw/zinc/46/69/63/227466963.db2.gz MDCMWNMRXFYXPW-UHFFFAOYSA-N 0 0 296.185 3.574 10 5 CHBERN Cc1ccccc1[C@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000070496137 260158119 /nfs/dbraw/zinc/15/81/19/260158119.db2.gz BVKRQRQEDQYPJE-LBPRGKRZSA-N 0 0 271.320 3.780 10 5 CHBERN Cc1cnc(N[C@@H](C)c2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000094957975 265278623 /nfs/dbraw/zinc/27/86/23/265278623.db2.gz NBUQOFMHSHRGIT-NSHDSACASA-N 0 0 289.310 3.919 10 5 CHBERN COc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000133774326 327199674 /nfs/dbraw/zinc/19/96/74/327199674.db2.gz RHQBPCPMILWLMW-ZIAGYGMSSA-N 0 0 284.315 3.571 10 5 CHBERN Cc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2F)cs1 ZINC000043474138 327257661 /nfs/dbraw/zinc/25/76/61/327257661.db2.gz IRECYCVSGDEHMH-SSDOTTSWSA-N 0 0 281.312 3.672 10 5 CHBERN CCS[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000230922765 333322707 /nfs/dbraw/zinc/32/27/07/333322707.db2.gz VQWXEQVZSPTXOF-GXSJLCMTSA-N 0 0 284.356 3.820 10 5 CHBERN COc1cc(N[C@@H](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000070307327 333806988 /nfs/dbraw/zinc/80/69/88/333806988.db2.gz OBXXESODCJEPNY-JTQLQIEISA-N 0 0 264.325 3.594 10 5 CHBERN CC[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1N ZINC000052840913 523044332 /nfs/dbraw/zinc/04/43/32/523044332.db2.gz BSDDKUCXOQYOGK-GWCFXTLKSA-N 0 0 263.341 3.558 10 5 CHBERN COc1ccc(Cl)cc1Nc1ccc([N+](=O)[O-])cc1N ZINC000052840331 524245431 /nfs/dbraw/zinc/24/54/31/524245431.db2.gz QGQAHUQTHXGHSL-UHFFFAOYSA-N 0 0 293.710 3.583 10 5 CHBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC1CC1 ZINC000120258447 524341022 /nfs/dbraw/zinc/34/10/22/524341022.db2.gz VJQGSWJCSOMGHQ-LLVKDONJSA-N 0 0 291.351 3.522 10 5 CHBERN Cc1ccc(Cl)cc1Nc1ccc([N+](=O)[O-])cc1N ZINC000052840394 524759085 /nfs/dbraw/zinc/75/90/85/524759085.db2.gz XLZLORAXHIVLKH-UHFFFAOYSA-N 0 0 277.711 3.882 10 5 CHBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1N)C1CCCCC1 ZINC000052841549 525662500 /nfs/dbraw/zinc/66/25/00/525662500.db2.gz BJIBURBUOJCQFT-JTQLQIEISA-N 0 0 263.341 3.558 10 5 CHBERN CSC[C@H](C)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809277 525677037 /nfs/dbraw/zinc/67/70/37/525677037.db2.gz CZVMLVUUHGQXMX-WDEREUQCSA-N 0 0 297.376 3.507 10 5 CHBERN O=[N+]([O-])c1c(F)cccc1Nc1ccc(F)c(F)c1 ZINC000054269355 527321673 /nfs/dbraw/zinc/32/16/73/527321673.db2.gz ZFWUUGYJBACORL-UHFFFAOYSA-N 0 0 268.194 3.756 10 5 CHBERN O=[N+]([O-])c1ccc(SCc2cccnc2Cl)cc1 ZINC000052728358 527377501 /nfs/dbraw/zinc/37/75/01/527377501.db2.gz PKUSCTUSIPXYLH-UHFFFAOYSA-N 0 0 280.736 3.936 10 5 CHBERN Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1C(F)(F)F ZINC000052840296 527461750 /nfs/dbraw/zinc/46/17/50/527461750.db2.gz OBTPSXKFTVNNOW-UHFFFAOYSA-N 0 0 297.236 3.939 10 5 CHBERN Nc1cc([N+](=O)[O-])ccc1Nc1ccc(F)c(Cl)c1 ZINC000052840396 527461828 /nfs/dbraw/zinc/46/18/28/527461828.db2.gz PPMZQRRGJNPAFF-UHFFFAOYSA-N 0 0 281.674 3.713 10 5 CHBERN CCC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301455456 527868546 /nfs/dbraw/zinc/86/85/46/527868546.db2.gz RWEZFLOJMPARIO-PSASIEDQSA-N 0 0 286.278 3.797 10 5 CHBERN O=[N+]([O-])c1cnc2ccc(OCC3CC3)cc2c1Cl ZINC000584881960 567859787 /nfs/dbraw/zinc/85/97/87/567859787.db2.gz IIDAACNJCFVEGG-UHFFFAOYSA-N 0 0 278.695 3.585 10 5 CHBERN Cc1c(Cl)ccc2c(Cl)c([N+](=O)[O-])cnc12 ZINC000165864555 567882451 /nfs/dbraw/zinc/88/24/51/567882451.db2.gz DLIZWTMWNJZETR-UHFFFAOYSA-N 0 0 257.076 3.758 10 5 CHBERN CC(C)n1cc(C(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000725270472 567924607 /nfs/dbraw/zinc/92/46/07/567924607.db2.gz ODLTXUYEEVIFGN-UHFFFAOYSA-N 0 0 281.262 3.977 10 5 CHBERN C[N+](C)([O-])CC[C@]1(c2ccccc2)C=Cc2ccccc21 ZINC000584618878 717184748 /nfs/dbraw/zinc/18/47/48/717184748.db2.gz ZFZFCHNOZPAAGQ-IBGZPJMESA-N 0 0 279.383 3.964 10 5 CHBERN O=[N+]([O-])c1c(Cl)cc(OC(F)F)cc1Cl ZINC000095831200 185029476 /nfs/dbraw/zinc/02/94/76/185029476.db2.gz CHJCXNOGFQVPDY-UHFFFAOYSA-N 0 0 258.007 3.503 10 5 CHBERN C[C@H](Cc1ccccc1)[N@+](C)([O-])Cc1ccccc1 ZINC000256169902 190005970 /nfs/dbraw/zinc/00/59/70/190005970.db2.gz LXPCOISGJFXEJE-CRAIPNDOSA-N 0 0 255.361 3.762 10 5 CHBERN Cc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000005539801 170110639 /nfs/dbraw/zinc/11/06/39/170110639.db2.gz SRHTUVBSQSERLR-JXMROGBWSA-N 0 0 296.326 3.864 10 5 CHBERN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000005584131 170116285 /nfs/dbraw/zinc/11/62/85/170116285.db2.gz KBUNUZDDYHWMKD-UHFFFAOYSA-N 0 0 276.679 3.501 10 5 CHBERN CCc1ccc(Oc2cc(N)cc([N+](=O)[O-])c2)cc1 ZINC000005928946 170156503 /nfs/dbraw/zinc/15/65/03/170156503.db2.gz BSCLBHUVPVREEK-UHFFFAOYSA-N 0 0 258.277 3.532 10 5 CHBERN O[C@@H]1c2cc3cccc4ccc5ccc(c2c5c43)[C@@H]1O ZINC000006094863 170176263 /nfs/dbraw/zinc/17/62/63/170176263.db2.gz ZICJXVAIOSTCST-ZWKOTPCHSA-N 0 0 260.292 3.664 10 5 CHBERN CC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000006259332 170186189 /nfs/dbraw/zinc/18/61/89/170186189.db2.gz ZCMJDNLVQKLNMV-UHFFFAOYSA-N 0 0 296.754 3.557 10 5 CHBERN O=[N+]([O-])c1cccnc1Nc1ccc(F)c(Cl)c1 ZINC000007185897 170270529 /nfs/dbraw/zinc/27/05/29/170270529.db2.gz BJNWSSTWICLYEM-UHFFFAOYSA-N 0 0 267.647 3.526 10 5 CHBERN Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1C=O ZINC000020368567 171167263 /nfs/dbraw/zinc/16/72/63/171167263.db2.gz FGIXWYGJCVFJSD-UHFFFAOYSA-N 0 0 257.245 3.508 10 5 CHBERN O=C(c1ccc([N+](=O)[O-])o1)c1cc(Cl)sc1Cl ZINC000035379367 172161960 /nfs/dbraw/zinc/16/19/60/172161960.db2.gz VXCMZQRQVPVYJX-UHFFFAOYSA-N 0 0 292.099 3.787 10 5 CHBERN Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c([C@@H](C)O)c1 ZINC000035630386 172311401 /nfs/dbraw/zinc/31/14/01/172311401.db2.gz UFFHPVDLBYJRAX-GFCCVEGCSA-N 0 0 287.315 3.536 10 5 CHBERN Cc1c(COc2ccccc2[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000035649563 172326305 /nfs/dbraw/zinc/32/63/05/172326305.db2.gz IZQITCPZYYDGCY-GFCCVEGCSA-N 0 0 287.315 3.536 10 5 CHBERN C[C@H](Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000037176953 173010932 /nfs/dbraw/zinc/01/09/32/173010932.db2.gz DIJPOVWMMVPGHK-JTQLQIEISA-N 0 0 260.268 3.907 10 5 CHBERN C[C@H]1CC=CC[C@@H]1COc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037331557 173132823 /nfs/dbraw/zinc/13/28/23/173132823.db2.gz ZXGBXRYRXQQPRZ-VHSXEESVSA-N 0 0 282.727 3.624 10 5 CHBERN Nc1ccccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000038056558 174067850 /nfs/dbraw/zinc/06/78/50/174067850.db2.gz MJTNQPUQHILPKQ-UHFFFAOYSA-N 0 0 264.668 3.623 10 5 CHBERN O=[N+]([O-])c1ccc2c(c1)nc(-c1ccccc1)n2C1CC1 ZINC000066347404 175757999 /nfs/dbraw/zinc/75/79/99/175757999.db2.gz YFAWQIOGYSXGDP-UHFFFAOYSA-N 0 0 279.299 3.946 10 5 CHBERN Cc1ccncc1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000071413651 176159174 /nfs/dbraw/zinc/15/91/74/176159174.db2.gz CVUWEZMDEVGGKQ-UHFFFAOYSA-N 0 0 277.711 3.564 10 5 CHBERN CCc1ccsc1CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000088290728 260231245 /nfs/dbraw/zinc/23/12/45/260231245.db2.gz AZZCGIRNWLZKOT-UHFFFAOYSA-N 0 0 292.360 3.839 10 5 CHBERN O=C1CC2(CCC(F)(F)CC2)Oc2ccc([N+](=O)[O-])cc21 ZINC000536953195 330382654 /nfs/dbraw/zinc/38/26/54/330382654.db2.gz GQGIGIZWNBOGRN-UHFFFAOYSA-N 0 0 297.257 3.508 10 5 CHBERN Cc1cnc([C@@H](C)Nc2cccc(C)c2[N+](=O)[O-])s1 ZINC000218865812 333137610 /nfs/dbraw/zinc/13/76/10/333137610.db2.gz XCRMQUVTVCSAHA-SNVBAGLBSA-N 0 0 277.349 3.841 10 5 CHBERN O=Cc1cc(F)cc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000231677836 333327633 /nfs/dbraw/zinc/32/76/33/333327633.db2.gz IJZUVFLGCUHVSG-UHFFFAOYSA-N 0 0 295.653 3.992 10 5 CHBERN CC(C)[C@H](C)CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000120981659 519810632 /nfs/dbraw/zinc/81/06/32/519810632.db2.gz NLCPSKCHRIBPOQ-GFCCVEGCSA-N 0 0 290.363 3.556 10 5 CHBERN CCCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000050888848 521147455 /nfs/dbraw/zinc/14/74/55/521147455.db2.gz LOMUWWRMCDYYQV-VIFPVBQESA-N 0 0 284.743 3.557 10 5 CHBERN CC[C@H](C)SCc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050837545 521782592 /nfs/dbraw/zinc/78/25/92/521782592.db2.gz ITFWIRLAHKSSHT-VIFPVBQESA-N 0 0 254.355 3.668 10 5 CHBERN CC[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1N ZINC000052840911 523200784 /nfs/dbraw/zinc/20/07/84/523200784.db2.gz BSDDKUCXOQYOGK-MFKMUULPSA-N 0 0 263.341 3.558 10 5 CHBERN CO[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000227759899 523616102 /nfs/dbraw/zinc/61/61/02/523616102.db2.gz XEUDFSVRJNPMMW-MWLCHTKSSA-N 0 0 284.743 3.618 10 5 CHBERN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2N)c(C)c1 ZINC000052841607 525477555 /nfs/dbraw/zinc/47/75/55/525477555.db2.gz HEWXQXCKVWMWDU-UHFFFAOYSA-N 0 0 258.277 3.586 10 5 CHBERN C[C@H]1CCC(=O)[C@H](CCc2ccccc2[N+](=O)[O-])C1 ZINC000062726805 526236470 /nfs/dbraw/zinc/23/64/70/526236470.db2.gz DTDBPGNSYVLNCW-WCQYABFASA-N 0 0 261.321 3.533 10 5 CHBERN O=Cc1cc(F)cc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000225516475 527145608 /nfs/dbraw/zinc/14/56/08/527145608.db2.gz GKOIKBSIGZZNHF-UHFFFAOYSA-N 0 0 295.653 3.992 10 5 CHBERN CC(C)Oc1ccc2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000098061895 567907420 /nfs/dbraw/zinc/90/74/20/567907420.db2.gz GRZBXWVNCRGLLK-UHFFFAOYSA-N 0 0 266.684 3.584 10 5 CHBERN CC/C=C(/C)C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000105763625 1123070245 /nfs/dbraw/zinc/07/02/45/1123070245.db2.gz FAIDMIKGLMFVJC-VQNWOSHQSA-N 0 0 263.293 3.555 10 5 CHBERN O=[N+]([O-])c1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000005117220 170068003 /nfs/dbraw/zinc/06/80/03/170068003.db2.gz VRDXZMZDTCQVBV-UHFFFAOYSA-N 0 0 279.708 3.624 10 5 CHBERN Cc1ccccc1NC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005748544 170136606 /nfs/dbraw/zinc/13/66/06/170136606.db2.gz YRHPJXSFTSGYCD-UHFFFAOYSA-N 0 0 271.276 3.547 10 5 CHBERN COc1cccc(NSc2ccccc2[N+](=O)[O-])c1 ZINC000006182446 170181320 /nfs/dbraw/zinc/18/13/20/170181320.db2.gz RFIXTYSCFDIMSR-UHFFFAOYSA-N 0 0 276.317 3.723 10 5 CHBERN O=[N+]([O-])c1ccccc1SNc1ccc(F)cc1 ZINC000006222502 170183664 /nfs/dbraw/zinc/18/36/64/170183664.db2.gz DBZXFLVMAIDRHM-UHFFFAOYSA-N 0 0 264.281 3.853 10 5 CHBERN Cc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000006233738 170184463 /nfs/dbraw/zinc/18/44/63/170184463.db2.gz RADXWKXJANKFIT-CSKARUKUSA-N 0 0 296.326 3.864 10 5 CHBERN O=[N+]([O-])c1ccc(Oc2ccccc2Br)nc1 ZINC000019511321 170820650 /nfs/dbraw/zinc/82/06/50/170820650.db2.gz JUOVEUTXMQNKEW-UHFFFAOYSA-N 0 0 295.092 3.545 10 5 CHBERN COc1cc(C)ccc1Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000020298743 171138258 /nfs/dbraw/zinc/13/82/58/171138258.db2.gz INAMRUNAYLTUDD-UHFFFAOYSA-N 0 0 287.271 3.517 10 5 CHBERN CCC(CC)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000021013830 171288877 /nfs/dbraw/zinc/28/88/77/171288877.db2.gz YLFILNBVTOCQNI-UHFFFAOYSA-N 0 0 287.157 3.958 10 5 CHBERN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCc2ccccc21 ZINC000022015773 171349606 /nfs/dbraw/zinc/34/96/06/171349606.db2.gz RZEUKBATLPDMRJ-ZDUSSCGKSA-N 0 0 272.279 3.833 10 5 CHBERN O=[N+]([O-])c1cccc(NCCCc2ccccc2)c1 ZINC000035223781 172068124 /nfs/dbraw/zinc/06/81/24/172068124.db2.gz VWFBLCQXPYPDGN-UHFFFAOYSA-N 0 0 256.305 3.640 10 5 CHBERN Cc1ccc(CNc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000035223793 172068170 /nfs/dbraw/zinc/06/81/70/172068170.db2.gz KUEJGADTSNDQET-UHFFFAOYSA-N 0 0 256.305 3.824 10 5 CHBERN COc1cc([N+](=O)[O-])ccc1NCc1cccc(Cl)c1 ZINC000035224050 172068855 /nfs/dbraw/zinc/06/88/55/172068855.db2.gz NAVKYLXWYRDBKE-UHFFFAOYSA-N 0 0 292.722 3.869 10 5 CHBERN Cc1ccc(NCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000035229924 172070284 /nfs/dbraw/zinc/07/02/84/172070284.db2.gz OXEZBLPFKHSUCR-UHFFFAOYSA-N 0 0 260.268 3.654 10 5 CHBERN Cc1ccc(Oc2ccc([C@H](C)O)cc2[N+](=O)[O-])cc1 ZINC000035631969 172314200 /nfs/dbraw/zinc/31/42/00/172314200.db2.gz GLKDEMCDTCTJQN-NSHDSACASA-N 0 0 273.288 3.749 10 5 CHBERN O=[N+]([O-])c1cccc(Nc2cncc(-c3ccncc3)c2)c1 ZINC000035786864 172417021 /nfs/dbraw/zinc/41/70/21/172417021.db2.gz ARBUMXHUYKBGSU-UHFFFAOYSA-N 0 0 292.298 3.795 10 5 CHBERN O=[N+]([O-])c1ccc(CNc2cccc3ccccc32)o1 ZINC000037188616 173018195 /nfs/dbraw/zinc/01/81/95/173018195.db2.gz YAVUTVMNTFVXNJ-UHFFFAOYSA-N 0 0 268.272 3.953 10 5 CHBERN Cc1ncsc1[C@H](C)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037298713 173102546 /nfs/dbraw/zinc/10/25/46/173102546.db2.gz YEXRQNMBXXLDBS-JTQLQIEISA-N 0 0 277.349 3.841 10 5 CHBERN O=[N+]([O-])c1cc(N[C@@H]2C[C@H]3CC=C[C@@H]32)ccc1Cl ZINC000037299359 173103854 /nfs/dbraw/zinc/10/38/54/173103854.db2.gz RJPDVFYHIUHTCQ-UBHAPETDSA-N 0 0 264.712 3.625 10 5 CHBERN O=[N+]([O-])c1cc(N[C@@H]2C[C@@H]3CC=C[C@H]23)ccc1Cl ZINC000037299363 173104157 /nfs/dbraw/zinc/10/41/57/173104157.db2.gz RJPDVFYHIUHTCQ-PTOFAABTSA-N 0 0 264.712 3.625 10 5 CHBERN CCSc1ccccc1NCc1ccc([N+](=O)[O-])o1 ZINC000037779280 173709858 /nfs/dbraw/zinc/70/98/58/173709858.db2.gz SWHZRAXGEQZBKQ-UHFFFAOYSA-N 0 0 278.333 3.912 10 5 CHBERN CC(C)C[C@@H](C)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037984265 173945914 /nfs/dbraw/zinc/94/59/14/173945914.db2.gz IOUPTJPYCUUXKU-SNVBAGLBSA-N 0 0 298.770 3.755 10 5 CHBERN O=c1c2ccccc2oc(-c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000038922291 174159558 /nfs/dbraw/zinc/15/95/58/174159558.db2.gz PXFBXYRZDNQQQS-UHFFFAOYSA-N 0 0 285.230 3.507 10 5 CHBERN Cc1cc(Cl)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000040383821 174251715 /nfs/dbraw/zinc/25/17/15/174251715.db2.gz BDYWEYIREYGMON-UHFFFAOYSA-N 0 0 287.706 3.871 10 5 CHBERN Cc1nc(CNc2ccc([N+](=O)[O-])c(C)c2)c(C)s1 ZINC000301829528 227693977 /nfs/dbraw/zinc/69/39/77/227693977.db2.gz GWTWTFAEHZYLCA-UHFFFAOYSA-N 0 0 277.349 3.589 10 5 CHBERN O=[N+]([O-])c1ccc(/C=C2\CCc3ccccc3[C@@H]2O)cc1 ZINC000023002845 260125257 /nfs/dbraw/zinc/12/52/57/260125257.db2.gz MLXGQRWDSLUFGJ-GWKQRERASA-N 0 0 281.311 3.658 10 5 CHBERN C[C@@H](Cc1cccs1)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000071271191 260160808 /nfs/dbraw/zinc/16/08/08/260160808.db2.gz JPTHLXUXFBJMSL-VIFPVBQESA-N 0 0 280.324 3.839 10 5 CHBERN COc1cc([C@@H](C)Nc2ccccc2[N+](=O)[O-])ccc1F ZINC000212973166 260322586 /nfs/dbraw/zinc/32/25/86/260322586.db2.gz IWRYQIRONOWUDC-SNVBAGLBSA-N 0 0 290.294 3.916 10 5 CHBERN CC(C)[C@H](C)CC(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000162197465 264311081 /nfs/dbraw/zinc/31/10/81/264311081.db2.gz LLOUFZPKKDOMHK-GFCCVEGCSA-N 0 0 290.363 3.556 10 5 CHBERN CCCC[C@H](CC)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000021989267 326867810 /nfs/dbraw/zinc/86/78/10/326867810.db2.gz NPSJHQMIVNJLNN-LBPRGKRZSA-N 0 0 279.336 3.968 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCOc3ccccc32)c1 ZINC000084726493 330487115 /nfs/dbraw/zinc/48/71/15/330487115.db2.gz NSXNIMXTRIWLAM-CYBMUJFWSA-N 0 0 284.315 3.839 10 5 CHBERN CNc1ccc([N+](=O)[O-])cc1COCCCC(C)C ZINC000050832345 522646910 /nfs/dbraw/zinc/64/69/10/522646910.db2.gz RJBODENHOSWNGK-UHFFFAOYSA-N 0 0 266.341 3.589 10 5 CHBERN Cc1ccc([C@@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])o1 ZINC000129769779 525755033 /nfs/dbraw/zinc/75/50/33/525755033.db2.gz ZHUXDIIGRQVKBP-MRVPVSSYSA-N 0 0 281.699 3.718 10 5 CHBERN Cc1ccc2c(Nc3ccc([N+](=O)[O-])cc3)cc(C)nc2n1 ZINC000047162267 526135176 /nfs/dbraw/zinc/13/51/76/526135176.db2.gz LLLFCSHEASOJCK-UHFFFAOYSA-N 0 0 294.314 3.898 10 5 CHBERN CCc1nc(CS[C@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000105634299 1125436929 /nfs/dbraw/zinc/43/69/29/1125436929.db2.gz PANZZUXXTFGXOI-SECBINFHSA-N 0 0 293.348 3.535 10 5 CHBERN COc1cc([N+](=O)[O-])ccc1Cc1cccc(Cl)c1F ZINC000095642982 185017209 /nfs/dbraw/zinc/01/72/09/185017209.db2.gz ZWPLXILTEHAOGU-UHFFFAOYSA-N 0 0 295.697 3.987 10 5 CHBERN O=[N+]([O-])c1cn(-c2ccc(Cl)cc2)c2cnccc12 ZINC000098179056 185698318 /nfs/dbraw/zinc/69/83/18/185698318.db2.gz VMRQEOJKPPZLQM-UHFFFAOYSA-N 0 0 273.679 3.587 10 5 CHBERN Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](C(F)(F)F)C1 ZINC000171232507 335059900 /nfs/dbraw/zinc/05/99/00/335059900.db2.gz KKIANHXRZLXPIQ-SNVBAGLBSA-N 0 0 288.269 3.682 10 5 CHBERN O=[N+]([O-])c1c(-c2ccccc2)noc1-c1ccccc1 ZINC000001507692 169710133 /nfs/dbraw/zinc/71/01/33/169710133.db2.gz ALGSQPBNFXGLFZ-UHFFFAOYSA-N 0 0 266.256 3.917 10 5 CHBERN Cc1cc2ccccc2c2ccc3c(c12)C=C[C@H](O)[C@@H]3O ZINC000001996299 169765867 /nfs/dbraw/zinc/76/58/67/169765867.db2.gz ZUQHOPBWKPIZSS-PKOBYXMFSA-N 0 0 276.335 3.723 10 5 CHBERN COc1ccc2c(c1)c1c(ccc3cccnc13)n2C ZINC000005161533 170072202 /nfs/dbraw/zinc/07/22/02/170072202.db2.gz FFUPGCUVYDJGMK-UHFFFAOYSA-N 0 0 262.312 3.888 10 5 CHBERN O=[N+]([O-])c1ccc(Nc2ccc(F)c(Cl)c2)nc1 ZINC000008418130 170335773 /nfs/dbraw/zinc/33/57/73/170335773.db2.gz SSJUCHODDXYNFT-UHFFFAOYSA-N 0 0 267.647 3.526 10 5 CHBERN CCc1cccc(Oc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000020298711 171138326 /nfs/dbraw/zinc/13/83/26/171138326.db2.gz ITPBWEOVJONAAI-UHFFFAOYSA-N 0 0 271.272 3.762 10 5 CHBERN C[C@@H](Oc1ccc(C=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000020304831 171141663 /nfs/dbraw/zinc/14/16/63/171141663.db2.gz GLPZJLMPTXUGBO-LLVKDONJSA-N 0 0 271.272 3.547 10 5 CHBERN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C=O)c(C)c1 ZINC000020368590 171167229 /nfs/dbraw/zinc/16/72/29/171167229.db2.gz QSQXTWAQVAYYQW-UHFFFAOYSA-N 0 0 271.272 3.816 10 5 CHBERN CCc1ccc(Oc2ccc([N+](=O)[O-])cc2C=O)cc1 ZINC000020368577 171167239 /nfs/dbraw/zinc/16/72/39/171167239.db2.gz XMMMRQZUJIWAJM-UHFFFAOYSA-N 0 0 271.272 3.762 10 5 CHBERN CCC[C@@H](C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000035185775 172039896 /nfs/dbraw/zinc/03/98/96/172039896.db2.gz DIAWSGYCFMSIFH-SNVBAGLBSA-N 0 0 259.309 3.744 10 5 CHBERN Cc1ccc([N+](=O)[O-])cc1NCCCc1ccccc1 ZINC000035223864 172067952 /nfs/dbraw/zinc/06/79/52/172067952.db2.gz CMGRONZVEIRURI-UHFFFAOYSA-N 0 0 270.332 3.948 10 5 CHBERN COc1cc([N+](=O)[O-])ccc1N[C@@H](C)c1ccccc1 ZINC000035224069 172068856 /nfs/dbraw/zinc/06/88/56/172068856.db2.gz JBSUWXXQTNSUOY-NSHDSACASA-N 0 0 272.304 3.777 10 5 CHBERN O=[N+]([O-])c1ccc(NCC2CCC2)cc1C(F)(F)F ZINC000035330358 172130025 /nfs/dbraw/zinc/13/00/25/172130025.db2.gz YMVMKBBJLMXXFP-UHFFFAOYSA-N 0 0 274.242 3.826 10 5 CHBERN Cc1ncsc1[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000037281082 173089121 /nfs/dbraw/zinc/08/91/21/173089121.db2.gz GFCCTAQQICYYEP-MRVPVSSYSA-N 0 0 281.312 3.672 10 5 CHBERN C[C@@H]1CC=CC[C@H]1COc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037331559 173132376 /nfs/dbraw/zinc/13/23/76/173132376.db2.gz ZXGBXRYRXQQPRZ-ZJUUUORDSA-N 0 0 282.727 3.624 10 5 CHBERN CCc1ccccc1Oc1nc(Cl)ccc1[N+](=O)[O-] ZINC000038082401 174091091 /nfs/dbraw/zinc/09/10/91/174091091.db2.gz IGIRCZKUXXTPFG-UHFFFAOYSA-N 0 0 278.695 3.998 10 5 CHBERN CCC(=O)n1c2ccccc2c2nc3ccccc3nc21 ZINC000040165901 174197709 /nfs/dbraw/zinc/19/77/09/174197709.db2.gz JXJOAWSRVRJGNM-UHFFFAOYSA-N 0 0 275.311 3.788 10 5 CHBERN C[C@@H]1CCCC[C@H]1N(C)c1nc(Cl)ccc1[N+](=O)[O-] ZINC000042612848 174825296 /nfs/dbraw/zinc/82/52/96/174825296.db2.gz QQKWBKVFRYNDSQ-NXEZZACHSA-N 0 0 283.759 3.658 10 5 CHBERN O=c1c(/C=C\c2ccc([N+](=O)[O-])cc2)coc2ccccc12 ZINC000044605958 175216174 /nfs/dbraw/zinc/21/61/74/175216174.db2.gz SOSALDPSJPEFEK-YVMONPNESA-N 0 0 293.278 3.872 10 5 CHBERN O=[N+]([O-])c1cc(Cl)ccc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000301405609 227529613 /nfs/dbraw/zinc/52/96/13/227529613.db2.gz GNNFKULZSRWJKR-QWRGUYRKSA-N 0 0 278.739 3.651 10 5 CHBERN Cc1cc(NC(=O)c2ccc3cc[nH]c3c2)ccc1[N+](=O)[O-] ZINC000107928691 261382463 /nfs/dbraw/zinc/38/24/63/261382463.db2.gz MQRRZDQJSBXIMC-UHFFFAOYSA-N 0 0 295.298 3.637 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CC1CC1 ZINC000127615596 264263151 /nfs/dbraw/zinc/26/31/51/264263151.db2.gz DUEDKGNTJHPHIT-JTQLQIEISA-N 0 0 291.351 3.522 10 5 CHBERN CCC1CCC(Nc2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000091549570 327102478 /nfs/dbraw/zinc/10/24/78/327102478.db2.gz PMAIXTQXJPZHMI-UHFFFAOYSA-N 0 0 280.372 3.500 10 5 CHBERN CCSCC[C@@H](C)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218864402 329084701 /nfs/dbraw/zinc/08/47/01/329084701.db2.gz XXDVKBBNSRJDFU-LLVKDONJSA-N 0 0 268.382 3.847 10 5 CHBERN Cc1noc(C)c1[C@H](C)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218854613 333137207 /nfs/dbraw/zinc/13/72/07/333137207.db2.gz NXKVUTJQGGSJCM-VIFPVBQESA-N 0 0 275.308 3.681 10 5 CHBERN CCS[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000230923038 333322678 /nfs/dbraw/zinc/32/26/78/333322678.db2.gz UYRSPZOBAGUWHJ-PWSUYJOCSA-N 0 0 296.392 3.690 10 5 CHBERN Cc1cc([N+](=O)[O-])ccc1NCC1C[C@@H](C)O[C@H](C)C1 ZINC000542947902 333850592 /nfs/dbraw/zinc/85/05/92/333850592.db2.gz MTAKFZTWHBCPLS-VXGBXAGGSA-N 0 0 278.352 3.519 10 5 CHBERN COc1cc(C=O)ccc1Oc1ccc(C)cc1[N+](=O)[O-] ZINC000301772265 533719302 /nfs/dbraw/zinc/71/93/02/533719302.db2.gz LOHCRVVPSJLOPR-UHFFFAOYSA-N 0 0 287.271 3.517 10 5 CHBERN CCCC[C@H](C)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000050890627 521152100 /nfs/dbraw/zinc/15/21/00/521152100.db2.gz SNDXNAJSAJLUPR-QMMMGPOBSA-N 0 0 257.721 3.634 10 5 CHBERN CC[C@@H](C)CNc1cc2nc(C)sc2cc1[N+](=O)[O-] ZINC000054474188 522000886 /nfs/dbraw/zinc/00/08/86/522000886.db2.gz FZWCPWZBROPYTE-MRVPVSSYSA-N 0 0 279.365 3.971 10 5 CHBERN CO[C@@H]1CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000227760012 523615348 /nfs/dbraw/zinc/61/53/48/523615348.db2.gz QGOSRHDJRYKVHK-GHMZBOCLSA-N 0 0 284.743 3.618 10 5 CHBERN Cc1ccc(N[C@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000037059759 525320918 /nfs/dbraw/zinc/32/09/18/525320918.db2.gz COEYGFFAPRDMPT-ZDUSSCGKSA-N 0 0 284.315 3.839 10 5 CHBERN Cc1ccc([C@H](C)Nc2ncnc(Cl)c2[N+](=O)[O-])s1 ZINC000050455431 525949796 /nfs/dbraw/zinc/94/97/96/525949796.db2.gz LVSZNUQLMPVOPV-ZETCQYMHSA-N 0 0 298.755 3.581 10 5 CHBERN O=C(OCc1cccs1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000070166377 526427982 /nfs/dbraw/zinc/42/79/82/526427982.db2.gz ZGTGAJLWENYEAB-UHFFFAOYSA-N 0 0 297.719 3.667 10 5 CHBERN O=[N+]([O-])c1ccc(F)cc1N1CCCCCCC1 ZINC000302827366 527356788 /nfs/dbraw/zinc/35/67/88/527356788.db2.gz BGMTXNXONWIUQX-UHFFFAOYSA-N 0 0 252.289 3.504 10 5 CHBERN O=[N+]([O-])c1cnc2c(Cl)c(F)ccc2c1Cl ZINC000584882111 567860155 /nfs/dbraw/zinc/86/01/55/567860155.db2.gz MQEVJRPTJUXKFD-UHFFFAOYSA-N 0 0 261.039 3.589 10 5 CHBERN O=[N+]([O-])c1cnc2ccc(N3CCCCC3)cc2c1Cl ZINC000098061907 567907554 /nfs/dbraw/zinc/90/75/54/567907554.db2.gz DBBIUOMIRITPRJ-UHFFFAOYSA-N 0 0 291.738 3.787 10 5 CHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC(C)C ZINC000588436875 1118735728 /nfs/dbraw/zinc/73/57/28/1118735728.db2.gz YOGORUBKELXMQK-QBFSEMIESA-N 0 0 290.363 3.503 10 5 CHBERN O=[N+]([O-])c1ccc2cn(Cc3ccccc3)cc2c1 ZINC000085343504 179027818 /nfs/dbraw/zinc/02/78/18/179027818.db2.gz KKSMOVYNSUWKIT-UHFFFAOYSA-N 0 0 252.273 3.598 10 5 CHBERN Cc1cc(N[C@@H]2C[C@H]3CC[C@@H]2C3)c([N+](=O)[O-])cc1C ZINC000103992347 185876883 /nfs/dbraw/zinc/87/68/83/185876883.db2.gz RQEWXNKCFWVWDF-YNEHKIRRSA-N 0 0 260.337 3.812 10 5 CHBERN COc1ncc(-c2ccc([N+](=O)[O-])cc2)c2c(O)cccc12 ZINC000090555757 180003410 /nfs/dbraw/zinc/00/34/10/180003410.db2.gz PUTSSVGGTPTPNI-UHFFFAOYSA-N 0 0 296.282 3.524 10 5 CHBERN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F ZINC000005583753 170116336 /nfs/dbraw/zinc/11/63/36/170116336.db2.gz GHQBNWLCXLHRSC-UHFFFAOYSA-N 0 0 294.669 3.640 10 5 CHBERN CCN(C(=O)c1cccc(C)c1[N+](=O)[O-])C1CCCCC1 ZINC000006311398 170190185 /nfs/dbraw/zinc/19/01/85/170190185.db2.gz WMKNCROZSNDSIX-UHFFFAOYSA-N 0 0 290.363 3.698 10 5 CHBERN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1cccs1 ZINC000008337019 170331886 /nfs/dbraw/zinc/33/18/86/170331886.db2.gz TTYYDYGHKLMHAZ-ZETCQYMHSA-N 0 0 294.361 3.539 10 5 CHBERN Cc1ccc(Oc2ccc(C=O)cc2[N+](=O)[O-])c(C)c1 ZINC000020298756 171138302 /nfs/dbraw/zinc/13/83/02/171138302.db2.gz AGNLIMBBKZVYLO-UHFFFAOYSA-N 0 0 271.272 3.816 10 5 CHBERN Cc1cccc(Oc2ccc([N+](=O)[O-])cc2C=O)c1C ZINC000020368586 171166914 /nfs/dbraw/zinc/16/69/14/171166914.db2.gz NWCPSQNWGZRYPO-UHFFFAOYSA-N 0 0 271.272 3.816 10 5 CHBERN COc1ccc(N[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000021812380 171329692 /nfs/dbraw/zinc/32/96/92/171329692.db2.gz RZUDJXXOSLSMPX-NSHDSACASA-N 0 0 272.304 3.777 10 5 CHBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000022342957 171385456 /nfs/dbraw/zinc/38/54/56/171385456.db2.gz FZUFOTMGJBSSGE-JTQLQIEISA-N 0 0 260.268 3.907 10 5 CHBERN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000034993944 171921691 /nfs/dbraw/zinc/92/16/91/171921691.db2.gz VQWKWHWVVOIDDV-QMMMGPOBSA-N 0 0 250.229 3.500 10 5 CHBERN C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000035135048 172002228 /nfs/dbraw/zinc/00/22/28/172002228.db2.gz JTBLJLJRWLDPAP-SSDOTTSWSA-N 0 0 274.242 3.824 10 5 CHBERN C[C@@H]1CCC[C@H](C)C1Nc1ccc(O)cc1[N+](=O)[O-] ZINC000037162486 172997654 /nfs/dbraw/zinc/99/76/54/172997654.db2.gz PAQYHYJADZTONR-XFLKPENQSA-N 0 0 264.325 3.537 10 5 CHBERN Cc1ccc(CNc2ccccc2[N+](=O)[O-])cc1C ZINC000037298539 173102809 /nfs/dbraw/zinc/10/28/09/173102809.db2.gz RNWPDZGZQIBKTR-UHFFFAOYSA-N 0 0 256.305 3.824 10 5 CHBERN C[C@H]1CC=CC[C@H]1COc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037331561 173132487 /nfs/dbraw/zinc/13/24/87/173132487.db2.gz ZXGBXRYRXQQPRZ-UWVGGRQHSA-N 0 0 282.727 3.624 10 5 CHBERN CCc1ccc(Oc2nc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000038082258 174091048 /nfs/dbraw/zinc/09/10/48/174091048.db2.gz VSRQZNUSPKFWOD-UHFFFAOYSA-N 0 0 278.695 3.998 10 5 CHBERN Cc1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1Cl ZINC000040571165 174338467 /nfs/dbraw/zinc/33/84/67/174338467.db2.gz UYQIRPSLUBLEDN-UHFFFAOYSA-N 0 0 299.117 3.744 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(Oc2ccc(C)c(F)c2)n1 ZINC000302855222 227892890 /nfs/dbraw/zinc/89/28/90/227892890.db2.gz KZYOANSMKNFPTK-UHFFFAOYSA-N 0 0 262.240 3.538 10 5 CHBERN CC[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000049146455 328349567 /nfs/dbraw/zinc/34/95/67/328349567.db2.gz FXQNTGUHSSYHSG-ZDUSSCGKSA-N 0 0 273.336 3.990 10 5 CHBERN COc1cccc(N2CCC[C@H]2c2ccco2)c1[N+](=O)[O-] ZINC000185430004 329273478 /nfs/dbraw/zinc/27/34/78/329273478.db2.gz CNMLNMWOSQEAFO-NSHDSACASA-N 0 0 288.303 3.538 10 5 CHBERN CCS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000078587547 330326846 /nfs/dbraw/zinc/32/68/46/330326846.db2.gz KTVAZUAYJWROKP-AAEUAGOBSA-N 0 0 266.366 3.681 10 5 CHBERN CCOc1ccnc2c1ccc1c(OCC)ccnc12 ZINC000299888925 521596301 /nfs/dbraw/zinc/59/63/01/521596301.db2.gz ARAFJJLFCONLMK-UHFFFAOYSA-N 0 0 268.316 3.580 10 5 CHBERN CNc1ccc(CSc2ccccc2)cc1[N+](=O)[O-] ZINC000050833827 522612420 /nfs/dbraw/zinc/61/24/20/522612420.db2.gz FQEFHEYIPYHUBO-UHFFFAOYSA-N 0 0 274.345 3.929 10 5 CHBERN COc1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1C ZINC000043474166 524101280 /nfs/dbraw/zinc/10/12/80/524101280.db2.gz FLIBFYLWWABGJJ-UHFFFAOYSA-N 0 0 290.294 3.663 10 5 CHBERN CS[C@H]1CCC[C@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000228722588 525911258 /nfs/dbraw/zinc/91/12/58/525911258.db2.gz SEHQAGSQQFAHSO-QWRGUYRKSA-N 0 0 284.356 3.820 10 5 CHBERN Nc1cc([N+](=O)[O-])ccc1Nc1ccc(Cl)cc1F ZINC000052840938 527461994 /nfs/dbraw/zinc/46/19/94/527461994.db2.gz SMCHNBXXVPEXHO-UHFFFAOYSA-N 0 0 281.674 3.713 10 5 CHBERN O=[N+]([O-])c1cnc2c(F)ccc(Cl)c2c1Cl ZINC000165861829 567882343 /nfs/dbraw/zinc/88/23/43/567882343.db2.gz ABKSKCHQMLXFJA-UHFFFAOYSA-N 0 0 261.039 3.589 10 5 CHBERN C[N+](C)([O-])CC/C=C1\c2ccccc2COc2ccccc21 ZINC000575232207 717183905 /nfs/dbraw/zinc/18/39/05/717183905.db2.gz DNZDXPLPIJEMRJ-GZTJUZNOSA-N 0 0 296.390 3.866 10 5 CHBERN O=[N+]([O-])c1cc(C[N@H+](C2CC2)C2CCCC2)cs1 ZINC000103466185 1120252908 /nfs/dbraw/zinc/25/29/08/1120252908.db2.gz STQPMBJDSZOERQ-UHFFFAOYSA-N 0 0 266.366 3.563 10 5 CHBERN O=c1c2cccc3ccc4c5ccccc5cc(c1=O)c4c32 ZINC000002006413 169766960 /nfs/dbraw/zinc/76/69/60/169766960.db2.gz HLCJPUJUJMVQRZ-UHFFFAOYSA-N 0 0 282.298 3.895 10 5 CHBERN CCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000005297530 170083975 /nfs/dbraw/zinc/08/39/75/170083975.db2.gz GBLKJERMZKNFSR-UHFFFAOYSA-N 0 0 264.325 3.812 10 5 CHBERN O=C(Nc1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000005344682 170088279 /nfs/dbraw/zinc/08/82/79/170088279.db2.gz GDDVDTPYZOMFQE-UHFFFAOYSA-N 0 0 291.694 3.892 10 5 CHBERN CCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000006041995 170170857 /nfs/dbraw/zinc/17/08/57/170170857.db2.gz GPEYAPJREDKAIL-UHFFFAOYSA-N 0 0 280.324 3.512 10 5 CHBERN O[C@H]1C=Cc2c3cc4cccc5c4c(c3ccc2[C@@H]1O)C=C5 ZINC000006094506 170175528 /nfs/dbraw/zinc/17/55/28/170175528.db2.gz MCTIAYJEJOIBHA-ICSRJNTNSA-N 0 0 286.330 3.898 10 5 CHBERN COc1ccc(N[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000020559503 171251074 /nfs/dbraw/zinc/25/10/74/171251074.db2.gz ODYNVDDVGPJJFZ-ZYHUDNBSSA-N 0 0 264.325 3.594 10 5 CHBERN COc1cc([N+](=O)[O-])ccc1NC1CCC(C)CC1 ZINC000035276763 172096831 /nfs/dbraw/zinc/09/68/31/172096831.db2.gz CFSZJHIFGIOEJY-UHFFFAOYSA-N 0 0 264.325 3.594 10 5 CHBERN CC(=O)c1ccc(Sc2ccccc2[N+](=O)[O-])cc1 ZINC000035286805 172105124 /nfs/dbraw/zinc/10/51/24/172105124.db2.gz ORIXVISOOXJTEX-UHFFFAOYSA-N 0 0 273.313 3.949 10 5 CHBERN N[C@H](c1ccc([N+](=O)[O-])o1)c1cc(Cl)sc1Cl ZINC000035382445 172165700 /nfs/dbraw/zinc/16/57/00/172165700.db2.gz YVRYOSGQRAWFEE-QMMMGPOBSA-N 0 0 293.131 3.604 10 5 CHBERN C[C@@H]1CC=CC[C@@H]1COc1nc(Cl)ccc1[N+](=O)[O-] ZINC000037331555 173132830 /nfs/dbraw/zinc/13/28/30/173132830.db2.gz ZXGBXRYRXQQPRZ-NXEZZACHSA-N 0 0 282.727 3.624 10 5 CHBERN O=[N+]([O-])c1cccc(Oc2cccc(Cl)c2CO)c1 ZINC000038080438 174090129 /nfs/dbraw/zinc/09/01/29/174090129.db2.gz ODJLHYHDIPLTMK-UHFFFAOYSA-N 0 0 279.679 3.533 10 5 CHBERN Cc1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C ZINC000041005808 174448609 /nfs/dbraw/zinc/44/86/09/174448609.db2.gz AVXZXODPHHRVLM-UHFFFAOYSA-N 0 0 273.317 3.588 10 5 CHBERN O=[N+]([O-])c1ccc(-n2nccc2-c2cccs2)cc1 ZINC000072190501 176336395 /nfs/dbraw/zinc/33/63/95/176336395.db2.gz HMFGKUNVTVASFT-UHFFFAOYSA-N 0 0 271.301 3.509 10 5 CHBERN Cc1nc([C@H](C)Nc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000036967155 260058211 /nfs/dbraw/zinc/05/82/11/260058211.db2.gz YVPTUWMXRKCQKZ-ZETCQYMHSA-N 0 0 281.312 3.672 10 5 CHBERN CCC1CCC(Nc2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000313557532 260302857 /nfs/dbraw/zinc/30/28/57/260302857.db2.gz SYGBIADYDCAJPQ-UHFFFAOYSA-N 0 0 280.372 3.500 10 5 CHBERN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)cc1F ZINC000161571663 261095657 /nfs/dbraw/zinc/09/56/57/261095657.db2.gz HURMRLGWEJEVDD-JTQLQIEISA-N 0 0 289.310 3.919 10 5 CHBERN Cc1sc(C(=O)Nc2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000103025450 327693936 /nfs/dbraw/zinc/69/39/36/327693936.db2.gz OBYCUCFKCKZUPA-UHFFFAOYSA-N 0 0 294.307 3.665 10 5 CHBERN COc1cc(N[C@@H](C)c2ccco2)c(F)cc1[N+](=O)[O-] ZINC000218839269 327895983 /nfs/dbraw/zinc/89/59/83/327895983.db2.gz SZVBWAUXYDUYRM-QMMMGPOBSA-N 0 0 280.255 3.509 10 5 CHBERN CCc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])nc2)cc1 ZINC000051448983 328619729 /nfs/dbraw/zinc/61/97/29/328619729.db2.gz SKDKWZYOSBQENO-LLVKDONJSA-N 0 0 271.320 3.725 10 5 CHBERN Cc1cccc(N[C@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000218851471 329084830 /nfs/dbraw/zinc/08/48/30/329084830.db2.gz FANHGXLXSMTKNE-SECBINFHSA-N 0 0 263.322 3.533 10 5 CHBERN CCC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000231663874 333326976 /nfs/dbraw/zinc/32/69/76/333326976.db2.gz MFYHNQUMLFEZFQ-GWCFXTLKSA-N 0 0 271.320 3.744 10 5 CHBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000037131314 333491639 /nfs/dbraw/zinc/49/16/39/333491639.db2.gz SYQXOLIBYZFUIZ-SSDOTTSWSA-N 0 0 285.141 3.568 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(NCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000542949790 333850898 /nfs/dbraw/zinc/85/08/98/333850898.db2.gz XSOGPQUMZYTQDM-RYUDHWBXSA-N 0 0 278.352 3.519 10 5 CHBERN CCc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2F)s1 ZINC000134928612 334108640 /nfs/dbraw/zinc/10/86/40/334108640.db2.gz LHKLSGBIUMHCLC-MRVPVSSYSA-N 0 0 295.339 3.926 10 5 CHBERN CC(=O)Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000062770076 519438860 /nfs/dbraw/zinc/43/88/60/519438860.db2.gz DKWDCRACZURORA-UHFFFAOYSA-N 0 0 279.679 3.640 10 5 CHBERN C[C@H]1CCC[C@H](Sc2ccc([N+](=O)[O-])cc2N)C1 ZINC000054689300 524211828 /nfs/dbraw/zinc/21/18/28/524211828.db2.gz LUJUOGJMQWZTLZ-ONGXEEELSA-N 0 0 266.366 3.848 10 5 CHBERN Cc1ccccc1N(C)c1cccc(F)c1[N+](=O)[O-] ZINC000054269710 525217472 /nfs/dbraw/zinc/21/74/72/525217472.db2.gz LWKFEEDWOCZIEP-UHFFFAOYSA-N 0 0 260.268 3.810 10 5 CHBERN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000042240389 525711658 /nfs/dbraw/zinc/71/16/58/525711658.db2.gz JGHAXLIYIAEGLH-SSDOTTSWSA-N 0 0 283.740 3.878 10 5 CHBERN O=C1CCCCC[C@H]1CCc1ccccc1[N+](=O)[O-] ZINC000062726802 526970667 /nfs/dbraw/zinc/97/06/67/526970667.db2.gz AAOLBLDGFHJOLB-ZDUSSCGKSA-N 0 0 261.321 3.677 10 5 CHBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCc2ccccc21 ZINC000153540008 527335297 /nfs/dbraw/zinc/33/52/97/527335297.db2.gz RGFBVMDTIRVKTA-LBPRGKRZSA-N 0 0 289.722 3.743 10 5 CHBERN O=[N+]([O-])c1cccc(Cl)c1NCc1cccc(F)c1 ZINC000050351888 527389360 /nfs/dbraw/zinc/38/93/60/527389360.db2.gz VGUBZAMKFNIEPR-UHFFFAOYSA-N 0 0 280.686 3.999 10 5 CHBERN O=[N+]([O-])c1ccccc1CCSc1ccccc1O ZINC000062727151 527398875 /nfs/dbraw/zinc/39/88/75/527398875.db2.gz KIIUFDGSEFDQGX-UHFFFAOYSA-N 0 0 275.329 3.635 10 5 CHBERN COc1cc2ccc3cc(O)c(OC)c4c3c2c(c1)OC4 ZINC000000899113 560179340 /nfs/dbraw/zinc/17/93/40/560179340.db2.gz JUXGBQIIXCBKIW-UHFFFAOYSA-N 0 0 282.295 3.608 10 5 in-vitro CHBERN CCCOc1ccc2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000098061902 567907374 /nfs/dbraw/zinc/90/73/74/567907374.db2.gz IZHVYIMFQVERCH-UHFFFAOYSA-N 0 0 266.684 3.585 10 5 CHBERN CCOc1ccc(OCC)c2c(Cl)c([N+](=O)[O-])cnc12 ZINC000098061848 567907654 /nfs/dbraw/zinc/90/76/54/567907654.db2.gz PFCYZTVQOYUDTK-UHFFFAOYSA-N 0 0 296.710 3.594 10 5 CHBERN Cc1cc(-c2ccc(C)c([N+](=O)[O-])c2)c(C)cc1C=O ZINC000675072906 570366925 /nfs/dbraw/zinc/36/69/25/570366925.db2.gz PHJSKONJDWVKFO-UHFFFAOYSA-N 0 0 269.300 4.000 10 5 CHBERN O=[N+]([O-])c1cnccc1-c1cc(Cl)cc(Cl)c1 ZINC000616568999 570408757 /nfs/dbraw/zinc/40/87/57/570408757.db2.gz GNKQRHWZBHMYMK-UHFFFAOYSA-N 0 0 269.087 3.964 10 5 CHBERN Cc1ccccc1[C@H](OCC[N+](C)(C)[O-])c1ccccc1 ZINC000616462037 717187746 /nfs/dbraw/zinc/18/77/46/717187746.db2.gz JATNXLXJRYHSJQ-GOSISDBHSA-N 0 0 286.395 3.567 10 5 CHBERN CCc1nc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000105634297 1125436825 /nfs/dbraw/zinc/43/68/25/1125436825.db2.gz PANZZUXXTFGXOI-VIFPVBQESA-N 0 0 293.348 3.535 10 5 CHBERN O=[N+]([O-])c1ccc(-c2nc3ccc(O)cc3s2)cc1 ZINC000090714516 180028666 /nfs/dbraw/zinc/02/86/66/180028666.db2.gz GYQGDDBYYWQCAW-UHFFFAOYSA-N 0 0 272.285 3.577 10 5 CHBERN Cc1c2c3ccccc3[nH]c2c(C=O)c2ccncc12 ZINC000005159846 170072052 /nfs/dbraw/zinc/07/20/52/170072052.db2.gz GEGSTIQXXZRQTO-UHFFFAOYSA-N 0 0 260.296 3.990 10 5 CHBERN O=[N+]([O-])c1ccc(/C=C\c2ccc3ccccc3n2)o1 ZINC000005614815 170120228 /nfs/dbraw/zinc/12/02/28/170120228.db2.gz VCMFYVDIWRALAP-FPLPWBNLSA-N 0 0 266.256 3.906 10 5 CHBERN Cc1cc([N+](=O)[O-])ccc1-c1nc2ccccc2o1 ZINC000006477771 170204333 /nfs/dbraw/zinc/20/43/33/170204333.db2.gz UEKNAIITINIGGG-UHFFFAOYSA-N 0 0 254.245 3.711 10 5 CHBERN CC(C)[C@H](C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000006564191 170213552 /nfs/dbraw/zinc/21/35/52/170213552.db2.gz CZUNMONLJTXMQD-INIZCTEOSA-N 0 0 298.342 3.973 10 5 CHBERN CC(=O)c1ccc(O[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000019871296 170902115 /nfs/dbraw/zinc/90/21/15/170902115.db2.gz UHFPIMDIFSOSJI-GFCCVEGCSA-N 0 0 285.299 3.937 10 5 CHBERN Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])cc2C=O)c1 ZINC000020368573 171167166 /nfs/dbraw/zinc/16/71/66/171167166.db2.gz DZOPUJLPLAEWJA-UHFFFAOYSA-N 0 0 271.272 3.816 10 5 CHBERN O=[N+]([O-])c1cnccc1Nc1ccc(F)c(Cl)c1 ZINC000020429997 171195103 /nfs/dbraw/zinc/19/51/03/171195103.db2.gz RIMAWPMXYWTYIA-UHFFFAOYSA-N 0 0 267.647 3.526 10 5 CHBERN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2F)CCC[C@@H]1C ZINC000020474769 171218717 /nfs/dbraw/zinc/21/87/17/171218717.db2.gz LKLKBLMGTQDECI-OPQQBVKSSA-N 0 0 266.316 3.971 10 5 CHBERN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000020536060 171241042 /nfs/dbraw/zinc/24/10/42/171241042.db2.gz YYRGUICKSPXDKN-VIFPVBQESA-N 0 0 291.332 3.539 10 5 CHBERN COc1ccc(NC2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000021015811 171289545 /nfs/dbraw/zinc/28/95/45/171289545.db2.gz UWRDAWULENHBLJ-UHFFFAOYSA-N 0 0 264.325 3.594 10 5 CHBERN O=[N+]([O-])c1ccccc1CNc1cccc2cnccc21 ZINC000035038574 171944727 /nfs/dbraw/zinc/94/47/27/171944727.db2.gz LFSBHJSSSJHHKR-UHFFFAOYSA-N 0 0 279.299 3.755 10 5 CHBERN C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000035122255 171992761 /nfs/dbraw/zinc/99/27/61/171992761.db2.gz LAVSIHDGYXEWCB-VIFPVBQESA-N 0 0 277.711 3.816 10 5 CHBERN C[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000035135053 172002343 /nfs/dbraw/zinc/00/23/43/172002343.db2.gz UZGDIKCDIGPHSD-ZETCQYMHSA-N 0 0 274.242 3.824 10 5 CHBERN O=[N+]([O-])c1ccccc1SCc1ccc(Cl)nc1 ZINC000035286680 172104491 /nfs/dbraw/zinc/10/44/91/172104491.db2.gz QXXBIVMNZRIFSK-UHFFFAOYSA-N 0 0 280.736 3.936 10 5 CHBERN C[C@@H](O)c1ccc(Oc2ccccc2F)c([N+](=O)[O-])c1 ZINC000035632191 172314756 /nfs/dbraw/zinc/31/47/56/172314756.db2.gz ZQPKOMJRDRGHPB-SECBINFHSA-N 0 0 277.251 3.580 10 5 CHBERN CC(C)c1cccc(NCc2ccc([N+](=O)[O-])o2)c1 ZINC000037231134 173050351 /nfs/dbraw/zinc/05/03/51/173050351.db2.gz NARPPZZQQQJDKE-UHFFFAOYSA-N 0 0 260.293 3.923 10 5 CHBERN CO[C@H]1CCCC[C@@H]1Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037299415 173104454 /nfs/dbraw/zinc/10/44/54/173104454.db2.gz WSQIWCQHTCILAE-AAEUAGOBSA-N 0 0 284.743 3.618 10 5 CHBERN CCCCOCCOCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037404233 173180178 /nfs/dbraw/zinc/18/01/78/173180178.db2.gz UXCLTKAOAQTAIO-UHFFFAOYSA-N 0 0 287.743 3.582 10 5 CHBERN CCc1ccc([C@H](C)Nc2ncccc2[N+](=O)[O-])cc1 ZINC000037976810 173932742 /nfs/dbraw/zinc/93/27/42/173932742.db2.gz CIZHICPJBMGNJD-NSHDSACASA-N 0 0 271.320 3.725 10 5 CHBERN C[N+](C)([O-])CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000044136117 175146000 /nfs/dbraw/zinc/14/60/00/175146000.db2.gz NMEICKDXQPVPKK-HNNXBMFYSA-N 0 0 290.794 3.831 10 5 in-vitro CHBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCCC[C@H]1O ZINC000302826748 227891534 /nfs/dbraw/zinc/89/15/34/227891534.db2.gz NDWYUBUHHOPDKM-GXFFZTMASA-N 0 0 298.770 3.520 10 5 CHBERN Cc1ccc(Oc2ncc(Cl)cc2[N+](=O)[O-])cc1F ZINC000302856638 227893658 /nfs/dbraw/zinc/89/36/58/227893658.db2.gz LYHHGKBYSRWDSY-UHFFFAOYSA-N 0 0 282.658 3.883 10 5 CHBERN O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CCOc2ccccc21 ZINC000052120899 261062701 /nfs/dbraw/zinc/06/27/01/261062701.db2.gz NQDXFYLQGCDUMH-GFCCVEGCSA-N 0 0 288.278 3.670 10 5 CHBERN Cc1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000052119336 261062839 /nfs/dbraw/zinc/06/28/39/261062839.db2.gz OFHJKMMKQJTKNP-UHFFFAOYSA-N 0 0 260.268 3.654 10 5 CHBERN Cc1nc([C@@H](C)Nc2cc(C)ccc2[N+](=O)[O-])cs1 ZINC000122923613 262487907 /nfs/dbraw/zinc/48/79/07/262487907.db2.gz BYNUJQUTDDZQHP-SECBINFHSA-N 0 0 277.349 3.841 10 5 CHBERN Cc1cnc(N[C@H](C)c2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000094957974 265279013 /nfs/dbraw/zinc/27/90/13/265279013.db2.gz NBUQOFMHSHRGIT-LLVKDONJSA-N 0 0 289.310 3.919 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000178150463 329196702 /nfs/dbraw/zinc/19/67/02/329196702.db2.gz AIYDWRHVBGJEJW-SECBINFHSA-N 0 0 293.273 3.750 10 5 CHBERN C[C@H](c1ccccc1[N+](=O)[O-])N1CCCc2c(N)cccc21 ZINC000261768999 329982473 /nfs/dbraw/zinc/98/24/73/329982473.db2.gz MIYBHMAVMYHRKJ-GFCCVEGCSA-N 0 0 297.358 3.691 10 5 CHBERN CCc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000134929266 334108553 /nfs/dbraw/zinc/10/85/53/334108553.db2.gz BVTVJFYTWWGLLV-SECBINFHSA-N 0 0 277.349 3.787 10 5 CHBERN CCCC[C@@H](CC)[C@H](O)Cc1ccc([N+](=O)[O-])cc1 ZINC000062140057 521039801 /nfs/dbraw/zinc/03/98/01/521039801.db2.gz FRVRMJWUMDDRID-UKRRQHHQSA-N 0 0 265.353 3.715 10 5 CHBERN CC[C@H](C)CNc1cc2nc(C)sc2cc1[N+](=O)[O-] ZINC000054474191 523887728 /nfs/dbraw/zinc/88/77/28/523887728.db2.gz FZWCPWZBROPYTE-QMMMGPOBSA-N 0 0 279.365 3.971 10 5 CHBERN Cc1cc(F)ccc1CNc1ccc([N+](=O)[O-])cc1 ZINC000050575628 524980539 /nfs/dbraw/zinc/98/05/39/524980539.db2.gz HAIJMNIYEGMTQA-UHFFFAOYSA-N 0 0 260.268 3.654 10 5 CHBERN CSC[C@@H](C)C(=O)O[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000084809279 525616058 /nfs/dbraw/zinc/61/60/58/525616058.db2.gz CZVMLVUUHGQXMX-GHMZBOCLSA-N 0 0 297.376 3.507 10 5 CHBERN Cc1c(NCCc2ccsc2)cccc1[N+](=O)[O-] ZINC000062723972 525869386 /nfs/dbraw/zinc/86/93/86/525869386.db2.gz MNKLGQXEPJIDET-UHFFFAOYSA-N 0 0 262.334 3.619 10 5 CHBERN O=[N+]([O-])c1ccc(Oc2ccc(CO)cc2)cc1Cl ZINC000050470493 527374085 /nfs/dbraw/zinc/37/40/85/527374085.db2.gz DGHOWOPELOWLBJ-UHFFFAOYSA-N 0 0 279.679 3.533 10 5 CHBERN CN(C)C(=O)Sc1ccc([N+](=O)[O-])c2ccccc12 ZINC000095348210 567128570 /nfs/dbraw/zinc/12/85/70/567128570.db2.gz VIIIGDIYUQQOBE-UHFFFAOYSA-N 0 0 276.317 3.522 10 5 CHBERN COc1ccc2ccc3ccc(OC)c(O)c3c2c1 ZINC000014651125 567869557 /nfs/dbraw/zinc/86/95/57/567869557.db2.gz GKDSKCYMUUXQLA-UHFFFAOYSA-N 0 0 254.285 3.716 10 5 endogenous,in-man CHBERN Cc1sc(C(=O)N2CCCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000408417945 1121432881 /nfs/dbraw/zinc/43/28/81/1121432881.db2.gz UKXDBPCTSHESTJ-UHFFFAOYSA-N 0 0 296.392 3.617 10 5 CHBERN COc1ccc2c3c(C)c([N+](=O)[O-])oc3ccc2c1 ZINC000002021266 169768388 /nfs/dbraw/zinc/76/83/88/169768388.db2.gz CRJXXSSTSDKPEJ-UHFFFAOYSA-N 0 0 257.245 3.811 10 5 CHBERN O=[N+]([O-])c1cccc2cccc(Br)c21 ZINC000004776271 170015763 /nfs/dbraw/zinc/01/57/63/170015763.db2.gz FQFDMDPWMTVNKL-UHFFFAOYSA-N 0 0 252.067 3.511 10 5 CHBERN Cc1cc(C=O)cc(C)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000005456004 170100967 /nfs/dbraw/zinc/10/09/67/170100967.db2.gz KIOIRMXWPSHMRM-UHFFFAOYSA-N 0 0 285.299 3.603 10 5 CHBERN Nc1cc(Oc2ccc(F)cc2Cl)cc([N+](=O)[O-])c1 ZINC000005936399 170158171 /nfs/dbraw/zinc/15/81/71/170158171.db2.gz ZBKWPXIUHJDGQI-UHFFFAOYSA-N 0 0 282.658 3.762 10 5 CHBERN O=C(Nc1ccccc1Cl)c1ccc(F)c([N+](=O)[O-])c1 ZINC000007122931 170268060 /nfs/dbraw/zinc/26/80/60/170268060.db2.gz FUCNMZUNRPIPCA-UHFFFAOYSA-N 0 0 294.669 3.640 10 5 CHBERN Cc1cccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000008286322 170328994 /nfs/dbraw/zinc/32/89/94/170328994.db2.gz XKSHAAGLXNATMD-CMDGGOBGSA-N 0 0 282.299 3.555 10 5 CHBERN CCc1cccc(Oc2ccc([N+](=O)[O-])cc2C=O)c1 ZINC000020368582 171166774 /nfs/dbraw/zinc/16/67/74/171166774.db2.gz LCNQYCAZKDGPRV-UHFFFAOYSA-N 0 0 271.272 3.762 10 5 CHBERN Nc1ncc(-c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000021950654 171339602 /nfs/dbraw/zinc/33/96/02/171339602.db2.gz XKTOGBVNXBQRQT-UHFFFAOYSA-N 0 0 284.102 3.546 10 5 CHBERN C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000035122256 171992624 /nfs/dbraw/zinc/99/26/24/171992624.db2.gz LAVSIHDGYXEWCB-SECBINFHSA-N 0 0 277.711 3.816 10 5 CHBERN CCC[C@@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000035186039 172040535 /nfs/dbraw/zinc/04/05/35/172040535.db2.gz SNSGGBXSLDXPJN-SNVBAGLBSA-N 0 0 259.309 3.744 10 5 CHBERN CCC(CC)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000035208005 172053711 /nfs/dbraw/zinc/05/37/11/172053711.db2.gz LCVAYPPWXGTWTB-UHFFFAOYSA-N 0 0 284.743 3.509 10 5 CHBERN O=[N+]([O-])c1ccc(Cl)c(NCc2cccc(F)c2)c1 ZINC000037059959 172924968 /nfs/dbraw/zinc/92/49/68/172924968.db2.gz SICLICVOGPCLEZ-UHFFFAOYSA-N 0 0 280.686 3.999 10 5 CHBERN CC(C)CCC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000037222432 173042906 /nfs/dbraw/zinc/04/29/06/173042906.db2.gz DPSBORLACDJZKP-UHFFFAOYSA-N 0 0 260.293 3.695 10 5 CHBERN Nc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000038056555 174067554 /nfs/dbraw/zinc/06/75/54/174067554.db2.gz OUQWZSRCLYDUEE-UHFFFAOYSA-N 0 0 298.220 3.988 10 5 CHBERN Cc1ccccc1Oc1nc(Cl)ccc1[N+](=O)[O-] ZINC000038082289 174091036 /nfs/dbraw/zinc/09/10/36/174091036.db2.gz UPOWFNRYSUBBLL-UHFFFAOYSA-N 0 0 264.668 3.744 10 5 CHBERN CC(C)c1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000040571177 174338444 /nfs/dbraw/zinc/33/84/44/174338444.db2.gz OUYLWNNEAFEOLS-UHFFFAOYSA-N 0 0 292.726 3.905 10 5 CHBERN Cc1cccc(CNc2cccc([N+](=O)[O-])c2)c1C ZINC000043313938 175004027 /nfs/dbraw/zinc/00/40/27/175004027.db2.gz FTVCMQJVYMTAKO-UHFFFAOYSA-N 0 0 256.305 3.824 10 5 CHBERN Cc1cc(NC[C@@H](C)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000301968506 227744715 /nfs/dbraw/zinc/74/47/15/227744715.db2.gz YJFLIRYWWKKMIW-CYBMUJFWSA-N 0 0 285.347 3.816 10 5 CHBERN CCOc1cccc(CNc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000052119704 261062559 /nfs/dbraw/zinc/06/25/59/261062559.db2.gz QRGPRBVBGVWSFJ-UHFFFAOYSA-N 0 0 290.294 3.745 10 5 CHBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1OC(F)F)c1ccco1 ZINC000302158292 328831064 /nfs/dbraw/zinc/83/10/64/328831064.db2.gz NSSNRWDMJMPAAL-QMMMGPOBSA-N 0 0 298.245 3.962 10 5 CHBERN COc1cccc(N2CCC[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000185429981 329273404 /nfs/dbraw/zinc/27/34/04/329273404.db2.gz CNMLNMWOSQEAFO-LLVKDONJSA-N 0 0 288.303 3.538 10 5 CHBERN Cc1nc([C@H](C)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000037059035 329549257 /nfs/dbraw/zinc/54/92/57/329549257.db2.gz AXUQUVHUPWXLJF-QMMMGPOBSA-N 0 0 263.322 3.533 10 5 CHBERN CCS[C@@H]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000230922446 333322724 /nfs/dbraw/zinc/32/27/24/333322724.db2.gz RUMJGOGBPFMKAJ-GHMZBOCLSA-N 0 0 284.356 3.820 10 5 CHBERN CCC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000231662113 333327243 /nfs/dbraw/zinc/32/72/43/333327243.db2.gz TVZBRTHIDFOCMX-YGRLFVJLSA-N 0 0 271.320 3.744 10 5 CHBERN C/C=C/CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000227011001 518518829 /nfs/dbraw/zinc/51/88/29/518518829.db2.gz XZDMFKKVSIYASZ-NSCUHMNNSA-N 0 0 257.293 3.521 10 5 CHBERN CCS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000223249274 521732977 /nfs/dbraw/zinc/73/29/77/521732977.db2.gz XDWQGUJVOOYAHV-AAEUAGOBSA-N 0 0 280.393 3.989 10 5 CHBERN Cc1cccc(CSc2ncnc(Cl)c2[N+](=O)[O-])c1 ZINC000054965845 524465241 /nfs/dbraw/zinc/46/52/41/524465241.db2.gz UVXQNCLRVVLSSM-UHFFFAOYSA-N 0 0 295.751 3.639 10 5 CHBERN Cc1cc(C=O)ccc1Oc1cccc([N+](=O)[O-])c1 ZINC000050545198 524611414 /nfs/dbraw/zinc/61/14/14/524611414.db2.gz PWXQCNDBHPGFEX-UHFFFAOYSA-N 0 0 257.245 3.508 10 5 CHBERN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)c1cccc(O)c1 ZINC000037061830 525570766 /nfs/dbraw/zinc/57/07/66/525570766.db2.gz GDGPKIJXQWWNOX-LLVKDONJSA-N 0 0 272.304 3.782 10 5 CHBERN O=C1CCCCC[C@@H]1CCc1ccccc1[N+](=O)[O-] ZINC000062726803 526971094 /nfs/dbraw/zinc/97/10/94/526971094.db2.gz AAOLBLDGFHJOLB-CYBMUJFWSA-N 0 0 261.321 3.677 10 5 CHBERN O=[N+]([O-])c1ccc(NCc2c(F)cccc2F)c(F)c1 ZINC000043473578 527366478 /nfs/dbraw/zinc/36/64/78/527366478.db2.gz PBGDRTQBPUXUGX-UHFFFAOYSA-N 0 0 282.221 3.624 10 5 CHBERN O=c1c2ccc(Cl)cc2[nH]c2cc(Cl)ccc21 ZINC000062723532 527462406 /nfs/dbraw/zinc/46/24/06/527462406.db2.gz ONUXESBOIMZMBI-UHFFFAOYSA-N 0 0 264.111 3.988 10 5 CHBERN Cc1cc2c(Cl)c([N+](=O)[O-])cnc2cc1Cl ZINC000165890658 570252726 /nfs/dbraw/zinc/25/27/26/570252726.db2.gz XWPSENJCWUQFNF-UHFFFAOYSA-N 0 0 257.076 3.758 10 5 CHBERN Cc1cc(CS[C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000105626317 1125436318 /nfs/dbraw/zinc/43/63/18/1125436318.db2.gz NYDYRIHQYMZKHH-JTQLQIEISA-N 0 0 278.333 3.886 10 5 CHBERN Cc1c(Cl)nc(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC000104138909 185908423 /nfs/dbraw/zinc/90/84/23/185908423.db2.gz MPKFTNWKZXVADM-UHFFFAOYSA-N 0 0 284.102 3.667 10 5 CHBERN O=[N+]([O-])c1ccc(F)c(F)c1NCC1CCCCC1 ZINC000104169930 185916052 /nfs/dbraw/zinc/91/60/52/185916052.db2.gz CWEJTNHHHPETNB-UHFFFAOYSA-N 0 0 270.279 3.865 10 5 CHBERN COc1c(Br)cc([N+](=O)[O-])cc1C(C)(C)C ZINC000091297081 180124548 /nfs/dbraw/zinc/12/45/48/180124548.db2.gz KBKKEFKSKXIVJX-UHFFFAOYSA-N 0 0 288.141 3.663 10 5 CHBERN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000005543697 170111316 /nfs/dbraw/zinc/11/13/16/170111316.db2.gz QOCUCBIPUSUAFA-UHFFFAOYSA-N 0 0 290.706 3.809 10 5 CHBERN CSc1ccccc1[C@H](O)Cc1ccc([N+](=O)[O-])cc1 ZINC000005641046 170123184 /nfs/dbraw/zinc/12/31/84/170123184.db2.gz IOVYVDMJYMOOGC-CQSZACIVSA-N 0 0 289.356 3.593 10 5 CHBERN CO[C@@]1(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)OC1(C)C ZINC000005742370 170135811 /nfs/dbraw/zinc/13/58/11/170135811.db2.gz IBKUAHHHJMVQLB-KRWDZBQOSA-N 0 0 299.326 3.870 10 5 CHBERN Cc1ccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1C ZINC000007126716 170268117 /nfs/dbraw/zinc/26/81/17/170268117.db2.gz AQCGZWAQLZHTKY-UHFFFAOYSA-N 0 0 288.278 3.603 10 5 CHBERN O=Cc1cc([N+](=O)[O-])ccc1Oc1cccc(Cl)c1 ZINC000020368569 171166874 /nfs/dbraw/zinc/16/68/74/171166874.db2.gz UCOXJXYWAAQAFI-UHFFFAOYSA-N 0 0 277.663 3.853 10 5 CHBERN CC(C)[C@@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000020523548 171236000 /nfs/dbraw/zinc/23/60/00/171236000.db2.gz HGMZDNUVVNNQBP-MRVPVSSYSA-N 0 0 287.157 3.814 10 5 CHBERN O=C(CSCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000034980120 171912796 /nfs/dbraw/zinc/91/27/96/171912796.db2.gz BZYRZLCJTXWLQT-UHFFFAOYSA-N 0 0 287.340 3.711 10 5 CHBERN CCOc1ccc(CNc2cccc([N+](=O)[O-])c2C)cc1 ZINC000035224159 172068770 /nfs/dbraw/zinc/06/87/70/172068770.db2.gz DVTIMZLEJGNFAS-UHFFFAOYSA-N 0 0 286.331 3.914 10 5 CHBERN CCc1ccc(NCc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000037104407 172957588 /nfs/dbraw/zinc/95/75/88/172957588.db2.gz WKSPPQLAYBAWBA-UHFFFAOYSA-N 0 0 260.293 3.671 10 5 CHBERN C[C@@H](Oc1nc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000037331515 173132443 /nfs/dbraw/zinc/13/24/43/173132443.db2.gz JOIBQMGDEAYNRY-SECBINFHSA-N 0 0 278.695 3.783 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(O[C@H](C)C(=O)c2ccccc2)c1 ZINC000037976326 173931567 /nfs/dbraw/zinc/93/15/67/173931567.db2.gz KVPSQJSVIDASAF-GFCCVEGCSA-N 0 0 285.299 3.553 10 5 CHBERN Nc1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000038056476 174067637 /nfs/dbraw/zinc/06/76/37/174067637.db2.gz RIZMJRGLDOQLEM-UHFFFAOYSA-N 0 0 264.668 3.623 10 5 CHBERN O=[N+]([O-])c1ccccc1Oc1cccc(Cl)c1CO ZINC000038080625 174089740 /nfs/dbraw/zinc/08/97/40/174089740.db2.gz UEZIEVYSMGCCDM-UHFFFAOYSA-N 0 0 279.679 3.533 10 5 CHBERN Cc1cc(Oc2ccccc2C=O)ccc1[N+](=O)[O-] ZINC000038080927 174090591 /nfs/dbraw/zinc/09/05/91/174090591.db2.gz JZVZBXSGMWOPFV-UHFFFAOYSA-N 0 0 257.245 3.508 10 5 CHBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1cccc(F)c1 ZINC000038082312 174091057 /nfs/dbraw/zinc/09/10/57/174091057.db2.gz JBTNXFANYWSCAQ-UHFFFAOYSA-N 0 0 268.631 3.575 10 5 CHBERN Cc1cccc(Oc2ccccc2C=O)c1[N+](=O)[O-] ZINC000038081927 174091257 /nfs/dbraw/zinc/09/12/57/174091257.db2.gz WIPFYDYMEYURKD-UHFFFAOYSA-N 0 0 257.245 3.508 10 5 CHBERN CC(C)=CC(=O)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000040868795 174426891 /nfs/dbraw/zinc/42/68/91/174426891.db2.gz ZSSQBPHULAYLPO-UHFFFAOYSA-N 0 0 294.306 3.818 10 5 CHBERN Cc1ccccc1[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812715 261142999 /nfs/dbraw/zinc/14/29/99/261142999.db2.gz LBIORQAGXGQFBN-LBPRGKRZSA-N 0 0 271.320 3.780 10 5 CHBERN C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])c1cccc(O)c1 ZINC000174718621 261193904 /nfs/dbraw/zinc/19/39/04/261193904.db2.gz TYHUPFICWTYWMP-SECBINFHSA-N 0 0 276.267 3.613 10 5 CHBERN C[C@H](COCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000390707535 262242904 /nfs/dbraw/zinc/24/29/04/262242904.db2.gz SFVCJKGNIQVQCP-CYBMUJFWSA-N 0 0 286.331 3.612 10 5 CHBERN CCSCC[C@@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000160340911 264242274 /nfs/dbraw/zinc/24/22/74/264242274.db2.gz WVHTYJSZJKXMBJ-SECBINFHSA-N 0 0 272.345 3.678 10 5 CHBERN CCS[C@H]1CC[C@@H](Nc2cccc(C)c2[N+](=O)[O-])C1 ZINC000218863904 333137467 /nfs/dbraw/zinc/13/74/67/333137467.db2.gz MAJDOASZIANJHC-NEPJUHHUSA-N 0 0 280.393 3.989 10 5 CHBERN CCS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000230922141 333322732 /nfs/dbraw/zinc/32/27/32/333322732.db2.gz CIHBKEOVYHPTSE-STQMWFEESA-N 0 0 280.393 3.989 10 5 CHBERN CC(C)(C)c1nc(CNc2ccccc2[N+](=O)[O-])cs1 ZINC000134223762 334084714 /nfs/dbraw/zinc/08/47/14/334084714.db2.gz YUUKUSAOJKFPKQ-UHFFFAOYSA-N 0 0 291.376 3.961 10 5 CHBERN CC[C@@H](Nc1ccncc1[N+](=O)[O-])c1cccs1 ZINC000049531337 522966248 /nfs/dbraw/zinc/96/62/48/522966248.db2.gz WTPUSYSLPQORAX-SECBINFHSA-N 0 0 263.322 3.615 10 5 CHBERN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC1CC1 ZINC000120258283 524339682 /nfs/dbraw/zinc/33/96/82/524339682.db2.gz VJQGSWJCSOMGHQ-NSHDSACASA-N 0 0 291.351 3.522 10 5 CHBERN Cc1ccccc1CSc1ncnc(Cl)c1[N+](=O)[O-] ZINC000054964204 525187235 /nfs/dbraw/zinc/18/72/35/525187235.db2.gz LWDYFOFMOWTFFU-UHFFFAOYSA-N 0 0 295.751 3.639 10 5 CHBERN Cc1cc(N[C@@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000042247817 525297346 /nfs/dbraw/zinc/29/73/46/525297346.db2.gz RKJZJEMEKRALTP-CQSZACIVSA-N 0 0 284.315 3.839 10 5 CHBERN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2F)o1 ZINC000037987975 525948343 /nfs/dbraw/zinc/94/83/43/525948343.db2.gz FSDKKZCMPNURGS-VIFPVBQESA-N 0 0 264.256 3.808 10 5 CHBERN O=[N+]([O-])c1ccccc1NCc1c[nH]c2ccccc12 ZINC000051754135 527402298 /nfs/dbraw/zinc/40/22/98/527402298.db2.gz NCGROOFHZLWIHK-UHFFFAOYSA-N 0 0 267.288 3.688 10 5 CHBERN O=[N+]([O-])c1ccc(N[C@H]2CCOc3ccccc32)cc1 ZINC000034980700 566842818 /nfs/dbraw/zinc/84/28/18/566842818.db2.gz YCMKUJOXPCPBBR-AWEZNQCLSA-N 0 0 270.288 3.531 10 5 CHBERN O=[N+]([O-])c1cnc2c(F)c(F)cc(Cl)c2c1Cl ZINC000584881871 567863871 /nfs/dbraw/zinc/86/38/71/567863871.db2.gz GIHASEJQRDSWBH-UHFFFAOYSA-N 0 0 279.029 3.728 10 5 CHBERN Cc1ccc(Cl)c2c(Cl)c([N+](=O)[O-])cnc12 ZINC000165863210 567882417 /nfs/dbraw/zinc/88/24/17/567882417.db2.gz XAKIZIXVDODBFP-UHFFFAOYSA-N 0 0 257.076 3.758 10 5 CHBERN CC1(C)CCc2c3nccnc3c3ccccc3c2O1 ZINC000040828782 184550104 /nfs/dbraw/zinc/55/01/04/184550104.db2.gz MTTCJOLBNDKEAW-UHFFFAOYSA-N 0 0 264.328 3.887 10 5 CHBERN CC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000095081689 184937413 /nfs/dbraw/zinc/93/74/13/184937413.db2.gz RATCLDWGKBAGTA-UHFFFAOYSA-N 0 0 257.245 3.590 10 5 CHBERN O=[N+]([O-])c1ccc(OC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005263284 170081243 /nfs/dbraw/zinc/08/12/43/170081243.db2.gz JOWONYVIXDKDPH-UHFFFAOYSA-N 0 0 273.332 3.942 10 5 CHBERN O=C(COc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000005864158 170148089 /nfs/dbraw/zinc/14/80/89/170148089.db2.gz SRTOXCGJUWYDPM-UHFFFAOYSA-N 0 0 291.690 3.510 10 5 CHBERN O=[N+]([O-])c1ccc(/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000006092536 170175518 /nfs/dbraw/zinc/17/55/18/170175518.db2.gz WMOGPQFWQAXCTI-SNAWJCMRSA-N 0 0 270.244 3.673 10 5 in-vivo CHBERN CC(C)(C)c1cc(C(=O)Nc2ccccc2[N+](=O)[O-])ccn1 ZINC000006882983 170252892 /nfs/dbraw/zinc/25/28/92/170252892.db2.gz ISRNLNJWSANQBP-UHFFFAOYSA-N 0 0 299.330 3.540 10 5 CHBERN O=[N+]([O-])c1ccccc1N[C@@H]1CCOc2ccccc21 ZINC000007186714 170270352 /nfs/dbraw/zinc/27/03/52/170270352.db2.gz CPGNLMGPPAZTHM-GFCCVEGCSA-N 0 0 270.288 3.531 10 5 CHBERN COc1cccc(Oc2ccc(C(C)=O)cc2[N+](=O)[O-])c1 ZINC000008177813 170322729 /nfs/dbraw/zinc/32/27/29/170322729.db2.gz SLUZXSIPAROXPN-UHFFFAOYSA-N 0 0 287.271 3.598 10 5 CHBERN Cc1cc(-c2nnc(-c3cccs3)o2)ccc1[N+](=O)[O-] ZINC000008907744 170358367 /nfs/dbraw/zinc/35/83/67/170358367.db2.gz SSQGNLCIXWRANW-UHFFFAOYSA-N 0 0 287.300 3.682 10 5 CHBERN C[C@@H](Nc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000020090706 170990229 /nfs/dbraw/zinc/99/02/29/170990229.db2.gz PQBFMLPXFJJGMS-SNVBAGLBSA-N 0 0 260.268 3.907 10 5 CHBERN Cc1c[nH]c2c1cc([N+](=O)[O-])cc2OCc1ccccc1 ZINC000022001102 171348289 /nfs/dbraw/zinc/34/82/89/171348289.db2.gz QDUILDQBDKMCPA-UHFFFAOYSA-N 0 0 282.299 3.964 10 5 CHBERN C[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000035223769 172068208 /nfs/dbraw/zinc/06/82/08/172068208.db2.gz QLNZRIJAUWYRJX-JTQLQIEISA-N 0 0 260.268 3.907 10 5 CHBERN COc1ccc(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000035224138 172068763 /nfs/dbraw/zinc/06/87/63/172068763.db2.gz AAOOHYNJRIKCND-UHFFFAOYSA-N 0 0 292.722 3.869 10 5 CHBERN CC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000035286588 172104308 /nfs/dbraw/zinc/10/43/08/172104308.db2.gz GXZPCJZTQGAKGH-UHFFFAOYSA-N 0 0 273.313 3.949 10 5 CHBERN O=[N+]([O-])c1c2ncsc2ccc1NCc1ccccc1 ZINC000035344554 172136673 /nfs/dbraw/zinc/13/66/73/172136673.db2.gz WKTKHICRMAVRKB-UHFFFAOYSA-N 0 0 285.328 3.817 10 5 CHBERN Cc1ccc(NCc2ccc([N+](=O)[O-])o2)c(Cl)c1 ZINC000037245072 173059712 /nfs/dbraw/zinc/05/97/12/173059712.db2.gz JVCLTAQYDURWJL-UHFFFAOYSA-N 0 0 266.684 3.762 10 5 CHBERN CO[C@H]1CCCC[C@H]1Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037299419 173103725 /nfs/dbraw/zinc/10/37/25/173103725.db2.gz WSQIWCQHTCILAE-YPMHNXCESA-N 0 0 284.743 3.618 10 5 CHBERN CCCc1cc(Cl)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000037409160 173186051 /nfs/dbraw/zinc/18/60/51/173186051.db2.gz CDVJZZCGXPLWDK-UHFFFAOYSA-N 0 0 277.711 3.658 10 5 CHBERN Cc1csc([C@@H](C)Nc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000080321566 260180250 /nfs/dbraw/zinc/18/02/50/260180250.db2.gz HUNIGEANMCZGNY-MRVPVSSYSA-N 0 0 281.312 3.672 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2ccccc2C)n1 ZINC000128911723 260379399 /nfs/dbraw/zinc/37/93/99/260379399.db2.gz AIOBKMNLIVWBSD-GFCCVEGCSA-N 0 0 271.320 3.780 10 5 CHBERN Cc1ccccc1[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812714 261143183 /nfs/dbraw/zinc/14/31/83/261143183.db2.gz LBIORQAGXGQFBN-GFCCVEGCSA-N 0 0 271.320 3.780 10 5 CHBERN CC(C)OCCS[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000105638029 261314057 /nfs/dbraw/zinc/31/40/57/261314057.db2.gz IXIPTZVKSXYBDX-LLVKDONJSA-N 0 0 269.366 3.814 10 5 CHBERN Cc1ccc([C@H](C)NCc2csc([N+](=O)[O-])c2)cc1F ZINC000094953038 265278895 /nfs/dbraw/zinc/27/88/95/265278895.db2.gz GUSQRMOKYYWDED-JTQLQIEISA-N 0 0 294.351 3.955 10 5 CHBERN Cc1cnc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cc2F)o1 ZINC000312663240 326935653 /nfs/dbraw/zinc/93/56/53/326935653.db2.gz ARPBDLJFIOOIIR-SECBINFHSA-N 0 0 279.271 3.512 10 5 CHBERN CCS[C@H]1CC[C@H](Nc2cccc(C)c2[N+](=O)[O-])C1 ZINC000218864037 333137503 /nfs/dbraw/zinc/13/75/03/333137503.db2.gz MAJDOASZIANJHC-RYUDHWBXSA-N 0 0 280.393 3.989 10 5 CHBERN CCS[C@@H]1CC[C@H](Nc2cccc(C)c2[N+](=O)[O-])C1 ZINC000218863976 333137551 /nfs/dbraw/zinc/13/75/51/333137551.db2.gz MAJDOASZIANJHC-NWDGAFQWSA-N 0 0 280.393 3.989 10 5 CHBERN CCS[C@H]1CCC[C@H]1Nc1cc(F)ccc1[N+](=O)[O-] ZINC000228723043 333296079 /nfs/dbraw/zinc/29/60/79/333296079.db2.gz VULRELIAWTTWLU-MFKMUULPSA-N 0 0 284.356 3.820 10 5 CHBERN CC(=O)c1ccc(N2CC[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000229105082 333300752 /nfs/dbraw/zinc/30/07/52/333300752.db2.gz BCNDRQYVEVOPGB-GXTWGEPZSA-N 0 0 288.347 3.566 10 5 CHBERN CCc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])cc2F)s1 ZINC000134928635 334108687 /nfs/dbraw/zinc/10/86/87/334108687.db2.gz LHKLSGBIUMHCLC-QMMMGPOBSA-N 0 0 295.339 3.926 10 5 CHBERN CCCCCC[C@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000049217890 520132892 /nfs/dbraw/zinc/13/28/92/520132892.db2.gz NFQCEKXYDIWGEV-NSHDSACASA-N 0 0 251.330 3.761 10 5 CHBERN CC[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1N ZINC000052840919 523063092 /nfs/dbraw/zinc/06/30/92/523063092.db2.gz BSDDKUCXOQYOGK-GXFFZTMASA-N 0 0 263.341 3.558 10 5 CHBERN Cc1cccc(SCc2cc([N+](=O)[O-])ccc2N)c1 ZINC000050839342 524811555 /nfs/dbraw/zinc/81/15/55/524811555.db2.gz JHGUDKFZUIJPMQ-UHFFFAOYSA-N 0 0 274.345 3.778 10 5 CHBERN Cc1ccc(Nc2ccc([N+](=O)[O-])cc2N)cc1Cl ZINC000052840280 525323638 /nfs/dbraw/zinc/32/36/38/525323638.db2.gz ZTQPTZWNYAOYGN-UHFFFAOYSA-N 0 0 277.711 3.882 10 5 CHBERN Cc1ccccc1SCc1ccc(N)c([N+](=O)[O-])c1 ZINC000050838807 525339507 /nfs/dbraw/zinc/33/95/07/525339507.db2.gz VLKJYYXNLGVYML-UHFFFAOYSA-N 0 0 274.345 3.778 10 5 CHBERN O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000190312404 527411246 /nfs/dbraw/zinc/41/12/46/527411246.db2.gz TZTSGSGHLFQGCQ-RNFRBKRXSA-N 0 0 295.286 3.584 10 5 CHBERN Nc1cc([N+](=O)[O-])ccc1Nc1ccc(F)cc1Cl ZINC000052840411 527461207 /nfs/dbraw/zinc/46/12/07/527461207.db2.gz BYIAIMRWEKSGOS-UHFFFAOYSA-N 0 0 281.674 3.713 10 5 CHBERN O=[N+]([O-])c1cnc2c(OC(F)(F)F)cccc2c1Cl ZINC000098061836 567907377 /nfs/dbraw/zinc/90/73/77/567907377.db2.gz CONOMYDYILYDKL-UHFFFAOYSA-N 0 0 292.600 3.695 10 5 CHBERN [O-][N+](CCCl)(Cc1ccccc1)Cc1ccccc1 ZINC000033855021 717122590 /nfs/dbraw/zinc/12/25/90/717122590.db2.gz BZCXWYQKDRUMRR-UHFFFAOYSA-N 0 0 276.787 3.832 10 5 CHBERN CCCCN(CC)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588436284 1118733906 /nfs/dbraw/zinc/73/39/06/1118733906.db2.gz AWLZRBQYBPEJOJ-SEYXRHQNSA-N 0 0 290.363 3.647 10 5 CHBERN O=[N+]([O-])c1ccc(NCC2CCCCC2)cc1F ZINC000083391731 178397930 /nfs/dbraw/zinc/39/79/30/178397930.db2.gz VUEQXTBXKMWWCW-UHFFFAOYSA-N 0 0 252.289 3.726 10 5 CHBERN O=Cc1ccc(Sc2ccccc2[N+](=O)[O-])cc1 ZINC000104297660 185958647 /nfs/dbraw/zinc/95/86/47/185958647.db2.gz FOIMJTSVXWRPLZ-UHFFFAOYSA-N 0 0 259.286 3.559 10 5 CHBERN O=[N+]([O-])c1cccnc1Nc1cccc2ccccc21 ZINC000005332274 170086685 /nfs/dbraw/zinc/08/66/85/170086685.db2.gz JTULSYDADUJSQD-UHFFFAOYSA-N 0 0 265.272 3.887 10 5 CHBERN O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(F)cc1 ZINC000005589455 170116539 /nfs/dbraw/zinc/11/65/39/170116539.db2.gz PMQZKQXPGNNWOL-UHFFFAOYSA-N 0 0 291.307 3.543 10 5 CHBERN O=[N+]([O-])c1cc(-c2ccccc2)cc2cccnc21 ZINC000006116697 170177101 /nfs/dbraw/zinc/17/71/01/170177101.db2.gz BCLHTQDIOYYNKP-UHFFFAOYSA-N 0 0 250.257 3.810 10 5 CHBERN COc1ccc2c(c1)C=C[C@@H](c1ccc([N+](=O)[O-])cc1)O2 ZINC000006200095 170181981 /nfs/dbraw/zinc/18/19/81/170181981.db2.gz UTLKHYLCBXAVMR-HNNXBMFYSA-N 0 0 283.283 3.750 10 5 in-vitro CHBERN Cc1ccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c(C)c1 ZINC000007126608 170268120 /nfs/dbraw/zinc/26/81/20/170268120.db2.gz FHAUTKBPEFLZDV-UHFFFAOYSA-N 0 0 288.278 3.603 10 5 CHBERN Cc1cc(-c2nc3cc([N+](=O)[O-])ccc3o2)ccc1[N+](=O)[O-] ZINC000008185966 170323319 /nfs/dbraw/zinc/32/33/19/170323319.db2.gz WOFIOLACHWNMEQ-UHFFFAOYSA-N 0 0 299.242 3.620 10 5 CHBERN CC[C@@H](C)Sc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000019871625 170901863 /nfs/dbraw/zinc/90/18/63/170901863.db2.gz VGAHAKWSDRKLFG-MRVPVSSYSA-N 0 0 253.323 3.688 10 5 CHBERN O=Cc1ccc(Oc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC000020298713 171138318 /nfs/dbraw/zinc/13/83/18/171138318.db2.gz GMQZNOXINFQBAR-UHFFFAOYSA-N 0 0 283.283 3.688 10 5 CHBERN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C=O)cc1 ZINC000020368565 171166857 /nfs/dbraw/zinc/16/68/57/171166857.db2.gz JGPGZNVODICOGN-UHFFFAOYSA-N 0 0 257.245 3.508 10 5 CHBERN CCOc1ccccc1Oc1ccc([N+](=O)[O-])cc1C=O ZINC000020368604 171167277 /nfs/dbraw/zinc/16/72/77/171167277.db2.gz FGYBFMYMEAUOAU-UHFFFAOYSA-N 0 0 287.271 3.598 10 5 CHBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000035056179 171959512 /nfs/dbraw/zinc/95/95/12/171959512.db2.gz NTHAVOXUSJOHGB-QMMMGPOBSA-N 0 0 250.229 3.500 10 5 CHBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC1 ZINC000035135054 172002250 /nfs/dbraw/zinc/00/22/50/172002250.db2.gz UZGDIKCDIGPHSD-SSDOTTSWSA-N 0 0 274.242 3.824 10 5 CHBERN COc1ccccc1CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000035224119 172068646 /nfs/dbraw/zinc/06/86/46/172068646.db2.gz VXUZSVMOJCGLGN-UHFFFAOYSA-N 0 0 292.722 3.869 10 5 CHBERN C[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000035739498 172394267 /nfs/dbraw/zinc/39/42/67/172394267.db2.gz OGOFXOSWMLOJRP-JTQLQIEISA-N 0 0 283.287 3.909 10 5 CHBERN Cc1cc(Cl)ccc1NCc1ccc([N+](=O)[O-])o1 ZINC000037217115 173035966 /nfs/dbraw/zinc/03/59/66/173035966.db2.gz CQAXLJFQPHLCIO-UHFFFAOYSA-N 0 0 266.684 3.762 10 5 CHBERN O=[N+]([O-])c1ccc(Cl)nc1NCC1CCCCC1 ZINC000037260150 173070114 /nfs/dbraw/zinc/07/01/14/173070114.db2.gz REXYOMQTLKYCBR-UHFFFAOYSA-N 0 0 269.732 3.635 10 5 CHBERN O=[N+]([O-])c1ccc(Cl)nc1Nc1ccc(F)cc1 ZINC000037331699 173132758 /nfs/dbraw/zinc/13/27/58/173132758.db2.gz ARTWMBCBLVTPEX-UHFFFAOYSA-N 0 0 267.647 3.526 10 5 CHBERN Cc1ccc([N+](=O)[O-])cc1Oc1ccc(C=O)cc1 ZINC000038081762 174090446 /nfs/dbraw/zinc/09/04/46/174090446.db2.gz AMCGRMRKACFTMV-UHFFFAOYSA-N 0 0 257.245 3.508 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(Oc2ccccc2C=O)c1 ZINC000038080780 174090482 /nfs/dbraw/zinc/09/04/82/174090482.db2.gz OTUSFPCXVNXIDP-UHFFFAOYSA-N 0 0 257.245 3.508 10 5 CHBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1ccc(F)c(F)c1 ZINC000038082422 174091371 /nfs/dbraw/zinc/09/13/71/174091371.db2.gz YLOMGEHODZGDEC-UHFFFAOYSA-N 0 0 286.621 3.714 10 5 CHBERN Cc1ccc(Cl)cc1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000040571171 174338420 /nfs/dbraw/zinc/33/84/20/174338420.db2.gz BWQKCLOSPDJHAP-UHFFFAOYSA-N 0 0 299.117 3.744 10 5 CHBERN O=[N+]([O-])c1ccccc1-n1nccc1-c1ccsc1 ZINC000072190488 176335890 /nfs/dbraw/zinc/33/58/90/176335890.db2.gz BRFAFRQYDWCVIZ-UHFFFAOYSA-N 0 0 271.301 3.509 10 5 CHBERN O=[N+]([O-])c1ccc(N2C[C@H]3CC=CC[C@@H]3C2)c(Cl)c1 ZINC000301417363 227532233 /nfs/dbraw/zinc/53/22/33/227532233.db2.gz MIMQGOUQLQBSTA-GHMZBOCLSA-N 0 0 278.739 3.651 10 5 CHBERN Cc1nc([C@@H](C)Nc2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000037059867 260066413 /nfs/dbraw/zinc/06/64/13/260066413.db2.gz QJUVTEZERUTUNV-SECBINFHSA-N 0 0 277.349 3.841 10 5 CHBERN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]1c1ccco1 ZINC000116293380 267137154 /nfs/dbraw/zinc/13/71/54/267137154.db2.gz RXSKQSRLYCNURM-CQSZACIVSA-N 0 0 290.294 3.664 10 5 CHBERN Cc1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2F)cs1 ZINC000043474140 327257682 /nfs/dbraw/zinc/25/76/82/327257682.db2.gz IRECYCVSGDEHMH-ZETCQYMHSA-N 0 0 281.312 3.672 10 5 CHBERN CCS[C@@H]1CC[C@@H](Nc2cccc(C)c2[N+](=O)[O-])C1 ZINC000218863829 333137537 /nfs/dbraw/zinc/13/75/37/333137537.db2.gz MAJDOASZIANJHC-VXGBXAGGSA-N 0 0 280.393 3.989 10 5 CHBERN Cc1cnc([C@@H](C)Nc2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000231747264 333329152 /nfs/dbraw/zinc/32/91/52/333329152.db2.gz UXXFWYCACIVDCU-MRVPVSSYSA-N 0 0 281.699 3.718 10 5 CHBERN CCc1cnc([C@@H](C)Nc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000135818653 334139207 /nfs/dbraw/zinc/13/92/07/334139207.db2.gz UYXBQUQNUCBWEJ-MRVPVSSYSA-N 0 0 295.339 3.926 10 5 CHBERN CC(C)(C)[C@@H](O)CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444947 518931479 /nfs/dbraw/zinc/93/14/79/518931479.db2.gz MYWWJXIMQYOFIE-LBPRGKRZSA-N 0 0 271.744 3.588 10 5 CHBERN CNc1ccc(Oc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000061701359 522631030 /nfs/dbraw/zinc/63/10/30/522631030.db2.gz GTVPXSXYBBQDEH-UHFFFAOYSA-N 0 0 258.277 3.737 10 5 CHBERN CC[C@H]1CCCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1N ZINC000052841675 523050467 /nfs/dbraw/zinc/05/04/67/523050467.db2.gz CLTKMTMWDBYZMA-GWCFXTLKSA-N 0 0 264.325 3.525 10 5 CHBERN Cc1ccc(C)c(Nc2ccc([N+](=O)[O-])cc2N)c1 ZINC000052840345 524161351 /nfs/dbraw/zinc/16/13/51/524161351.db2.gz DYQSFNQLABFZNW-UHFFFAOYSA-N 0 0 257.293 3.537 10 5 CHBERN Cc1cccc(Nc2ccc([N+](=O)[O-])cc2N)c1C ZINC000052840385 524700229 /nfs/dbraw/zinc/70/02/29/524700229.db2.gz JYNOTRSMFLADCH-UHFFFAOYSA-N 0 0 257.293 3.537 10 5 CHBERN C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(Cl)c1 ZINC000054613447 525662440 /nfs/dbraw/zinc/66/24/40/525662440.db2.gz RKROYVBTZRCTPT-VIFPVBQESA-N 0 0 277.711 3.816 10 5 CHBERN C[C@@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)c1cccs1 ZINC000278365022 525697394 /nfs/dbraw/zinc/69/73/94/525697394.db2.gz KMZKJGAGQSFZGG-SECBINFHSA-N 0 0 289.360 3.797 10 5 CHBERN C[C@@H]1CCC(=O)[C@@H](CCc2ccccc2[N+](=O)[O-])C1 ZINC000062726806 526238635 /nfs/dbraw/zinc/23/86/35/526238635.db2.gz DTDBPGNSYVLNCW-YPMHNXCESA-N 0 0 261.321 3.533 10 5 CHBERN O=[N+]([O-])c1ccccc1CCNc1ccc(Cl)cc1 ZINC000062726179 527399487 /nfs/dbraw/zinc/39/94/87/527399487.db2.gz BKKNNZHCWHFCGU-UHFFFAOYSA-N 0 0 276.723 3.903 10 5 CHBERN CCN(CC(C)C)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588436836 1118735767 /nfs/dbraw/zinc/73/57/67/1118735767.db2.gz VLCFQPXWHILQRI-RAXLEYEMSA-N 0 0 290.363 3.503 10 5 CHBERN Cc1cc([N+](=O)[O-])ccc1/C=C1/C(=O)Nc2ccc(F)cc21 ZINC000588450217 1118793947 /nfs/dbraw/zinc/79/39/47/1118793947.db2.gz MZOUQWSITLYFFW-VGOFMYFVSA-N 0 0 298.273 3.535 10 5 CHBERN O=c1c(=O)c2c3c1c1ccccc1cc3cc1ccccc21 ZINC000096029575 185067034 /nfs/dbraw/zinc/06/70/34/185067034.db2.gz AYSSMZWWOZPRMT-UHFFFAOYSA-N 0 0 282.298 3.895 10 5 CHBERN CC(C)(C)CCNc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000083429756 178436113 /nfs/dbraw/zinc/43/61/13/178436113.db2.gz CAULHPQGVHLNAC-UHFFFAOYSA-N 0 0 258.268 3.721 10 5 CHBERN CSc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000084541555 178898258 /nfs/dbraw/zinc/89/82/58/178898258.db2.gz OCZBFKAHKCBSRJ-UHFFFAOYSA-N 0 0 285.328 3.860 10 5 CHBERN Cc1ccc(Oc2cc(N)cc([N+](=O)[O-])c2)cc1C ZINC000005935828 170157575 /nfs/dbraw/zinc/15/75/75/170157575.db2.gz HDZTVONZFFXFLU-UHFFFAOYSA-N 0 0 258.277 3.586 10 5 CHBERN Cc1ccccc1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008286319 170328882 /nfs/dbraw/zinc/32/88/82/170328882.db2.gz ISZCRJOSEGXINS-MDZDMXLPSA-N 0 0 282.299 3.555 10 5 CHBERN C[C@H]1[C@H](Nc2nc3sccn3c2[N+](=O)[O-])CCC[C@@H]1C ZINC000008317695 170330776 /nfs/dbraw/zinc/33/07/76/170330776.db2.gz OWVNYJHYMHFLFE-IVZWLZJFSA-N 0 0 294.380 3.541 10 5 CHBERN C=Cc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000009694340 170384482 /nfs/dbraw/zinc/38/44/82/170384482.db2.gz WUKXIEHQHLJWES-DHZHZOJOSA-N 0 0 294.310 3.890 10 5 CHBERN O=Cc1ccc(Sc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000016737916 170710665 /nfs/dbraw/zinc/71/06/65/170710665.db2.gz ITRRBYPIJDFLAN-UHFFFAOYSA-N 0 0 295.266 3.837 10 5 CHBERN c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000033902668 171825680 /nfs/dbraw/zinc/82/56/80/171825680.db2.gz BVQAWSJMUYMNQN-UHFFFAOYSA-N 0 0 282.306 3.879 10 5 in-vitro CHBERN C[C@@H](Nc1ccc([N+](=O)[O-])c2ncccc12)c1ccco1 ZINC000035135146 172002425 /nfs/dbraw/zinc/00/24/25/172002425.db2.gz BQYCCEXMEYGOST-SNVBAGLBSA-N 0 0 283.287 3.909 10 5 CHBERN Cc1cc([N+](=O)[O-])ccc1NCCCc1ccccc1 ZINC000035223938 172067770 /nfs/dbraw/zinc/06/77/70/172067770.db2.gz KHIPFZNSCPVBRI-UHFFFAOYSA-N 0 0 270.332 3.948 10 5 CHBERN Cc1ccc(NCc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000035223820 172068211 /nfs/dbraw/zinc/06/82/11/172068211.db2.gz RLZZIQWSCAAUCW-UHFFFAOYSA-N 0 0 278.258 3.794 10 5 CHBERN COc1cc([N+](=O)[O-])ccc1NCC1CCCCC1 ZINC000035224079 172068948 /nfs/dbraw/zinc/06/89/48/172068948.db2.gz FSBIOVDCLBSVLR-UHFFFAOYSA-N 0 0 264.325 3.596 10 5 CHBERN Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c([C@@H](C)O)c1 ZINC000035630230 172311352 /nfs/dbraw/zinc/31/13/52/172311352.db2.gz GBLKRJZUSGWZFR-GFCCVEGCSA-N 0 0 287.315 3.536 10 5 CHBERN CCc1ncc(CNc2ccc([N+](=O)[O-])cc2C)s1 ZINC000037924366 173863769 /nfs/dbraw/zinc/86/37/69/173863769.db2.gz NPCZYSUGLRVZRU-UHFFFAOYSA-N 0 0 277.349 3.534 10 5 CHBERN CC(=O)c1cc(F)ccc1Oc1cc(F)ccc1[N+](=O)[O-] ZINC000037981713 173941714 /nfs/dbraw/zinc/94/17/14/173941714.db2.gz VMXXKCCSHCIVQL-UHFFFAOYSA-N 0 0 293.225 3.868 10 5 CHBERN Cc1ccc(Oc2nc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000038082182 174091102 /nfs/dbraw/zinc/09/11/02/174091102.db2.gz AAGFPGZWXHSQRU-UHFFFAOYSA-N 0 0 264.668 3.744 10 5 CHBERN Cc1nc(C)c([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000040445483 174264942 /nfs/dbraw/zinc/26/49/42/174264942.db2.gz DECRVUJEMXNHCT-SECBINFHSA-N 0 0 277.349 3.841 10 5 CHBERN CC[C@H]1CCC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000043653535 175085544 /nfs/dbraw/zinc/08/55/44/175085544.db2.gz AUSLTTVLIOEMER-AAEUAGOBSA-N 0 0 261.321 3.533 10 5 CHBERN O=Cc1cc([N+](=O)[O-])ccc1Sc1ccccc1F ZINC000070162877 175876191 /nfs/dbraw/zinc/87/61/91/175876191.db2.gz CFMMZHQGDZTXPN-UHFFFAOYSA-N 0 0 277.276 3.698 10 5 CHBERN O=[N+]([O-])c1ccccc1-n1nccc1-c1cccs1 ZINC000072190500 176336222 /nfs/dbraw/zinc/33/62/22/176336222.db2.gz NCRGXUDFYSKLRA-UHFFFAOYSA-N 0 0 271.301 3.509 10 5 CHBERN CCCCCNC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090073718 260316979 /nfs/dbraw/zinc/31/69/79/260316979.db2.gz BEUKQNKUMPLESB-AWEZNQCLSA-N 0 0 293.367 3.535 10 5 CHBERN CCSCC[C@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000160341026 264242281 /nfs/dbraw/zinc/24/22/81/264242281.db2.gz WVHTYJSZJKXMBJ-VIFPVBQESA-N 0 0 272.345 3.678 10 5 CHBERN Cc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)cs1 ZINC000037061625 329549241 /nfs/dbraw/zinc/54/92/41/329549241.db2.gz WQARJIGGBJYFIL-MRVPVSSYSA-N 0 0 263.322 3.533 10 5 CHBERN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCCc2c(N)cccc21 ZINC000261769002 329982552 /nfs/dbraw/zinc/98/25/52/329982552.db2.gz MIYBHMAVMYHRKJ-LBPRGKRZSA-N 0 0 297.358 3.691 10 5 CHBERN CCCc1c(C)nc2ccc([N+](=O)[O-])cc2c1CC ZINC000536954273 330382852 /nfs/dbraw/zinc/38/28/52/330382852.db2.gz RITBATJLRSWPIX-UHFFFAOYSA-N 0 0 258.321 3.966 10 5 CHBERN COc1cc(N[C@@H](C)c2cccs2)c(F)cc1[N+](=O)[O-] ZINC000218838020 333137039 /nfs/dbraw/zinc/13/70/39/333137039.db2.gz YQGASZUXVLASBE-QMMMGPOBSA-N 0 0 296.323 3.977 10 5 CHBERN CCS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000230923041 333322657 /nfs/dbraw/zinc/32/26/57/333322657.db2.gz UYRSPZOBAGUWHJ-JQWIXIFHSA-N 0 0 296.392 3.690 10 5 CHBERN CCC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000231662121 333326978 /nfs/dbraw/zinc/32/69/78/333326978.db2.gz TVZBRTHIDFOCMX-QMTHXVAHSA-N 0 0 271.320 3.744 10 5 CHBERN CCC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c2cnccc12 ZINC000231662117 333327024 /nfs/dbraw/zinc/32/70/24/333327024.db2.gz TVZBRTHIDFOCMX-HZMBPMFUSA-N 0 0 271.320 3.744 10 5 CHBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)c1cncc(F)c1 ZINC000235547467 333370744 /nfs/dbraw/zinc/37/07/44/333370744.db2.gz DMKIRICCDQXGSU-JTQLQIEISA-N 0 0 275.283 3.610 10 5 CHBERN CC[C@@H]1CCCC[C@H]1Oc1ccc([N+](=O)[O-])cc1N ZINC000052841677 523227945 /nfs/dbraw/zinc/22/79/45/523227945.db2.gz CLTKMTMWDBYZMA-ZWNOBZJWSA-N 0 0 264.325 3.525 10 5 CHBERN Cc1cc(F)ccc1CNc1ccccc1[N+](=O)[O-] ZINC000050575595 524980755 /nfs/dbraw/zinc/98/07/55/524980755.db2.gz BFIFFLAXTBZGPR-UHFFFAOYSA-N 0 0 260.268 3.654 10 5 CHBERN Cc1cc(NCCC2=CCOCC2)c(Cl)cc1[N+](=O)[O-] ZINC000158045402 525266228 /nfs/dbraw/zinc/26/62/28/525266228.db2.gz XJTJGRDDDWKRQH-UHFFFAOYSA-N 0 0 296.754 3.705 10 5 CHBERN Cc1ccccc1Sc1ccc([N+](=O)[O-])cc1N ZINC000052841889 525342677 /nfs/dbraw/zinc/34/26/77/525342677.db2.gz XQQFUEGUCVFROB-UHFFFAOYSA-N 0 0 260.318 3.637 10 5 CHBERN Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2F)o1 ZINC000037987974 525751316 /nfs/dbraw/zinc/75/13/16/525751316.db2.gz FSDKKZCMPNURGS-SECBINFHSA-N 0 0 264.256 3.808 10 5 CHBERN CC1(C)C=Cc2ccc3c(=O)c4c(O)cccc4oc3c2O1 ZINC000005963553 560203926 /nfs/dbraw/zinc/20/39/26/560203926.db2.gz WTSFSOWKXDTLJX-UHFFFAOYSA-N 0 0 294.306 3.836 10 5 in-vitro CHBERN O=[N+]([O-])c1cc(F)ccc1-c1ccc([C@H]2CCO2)cc1 ZINC000725265159 567923389 /nfs/dbraw/zinc/92/33/89/567923389.db2.gz KKYYHQLMXLATIA-OAHLLOKOSA-N 0 0 273.263 3.862 10 5 CHBERN C[N+](C)([O-])CC[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000033753339 567928207 /nfs/dbraw/zinc/92/82/07/567928207.db2.gz NMEICKDXQPVPKK-OAHLLOKOSA-N 0 0 290.794 3.831 10 5 in-vitro CHBERN CC[C@H](C)CN(C)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588438586 1118748897 /nfs/dbraw/zinc/74/88/97/1118748897.db2.gz YREALNJSNRQQRC-IXJPEXDMSA-N 0 0 290.363 3.503 10 5 CHBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CCC[C@@H]32)c2ccncc21 ZINC000408362041 1121154154 /nfs/dbraw/zinc/15/41/54/1121154154.db2.gz LFBMUHAOYCSCAA-RISCZKNCSA-N 0 0 283.331 3.522 10 5 CHBERN O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c(CO)c1 ZINC000088611744 179638557 /nfs/dbraw/zinc/63/85/57/179638557.db2.gz AITRBTUHXBDRBZ-UHFFFAOYSA-N 0 0 295.747 3.892 10 5 CHBERN CCCCSc1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000104286508 185955078 /nfs/dbraw/zinc/95/50/78/185955078.db2.gz WVARNYPWLMSJQA-SECBINFHSA-N 0 0 255.339 3.540 10 5 CHBERN CC(C)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000005510705 170105794 /nfs/dbraw/zinc/10/57/94/170105794.db2.gz FGHNPNBPVJDUTM-UHFFFAOYSA-N 0 0 258.277 3.906 10 5 CHBERN Cc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005539793 170110717 /nfs/dbraw/zinc/11/07/17/170110717.db2.gz IXBCPKUYHVLBIE-IZZDOVSWSA-N 0 0 282.299 3.555 10 5 CHBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccccc1 ZINC000005540629 170110733 /nfs/dbraw/zinc/11/07/33/170110733.db2.gz DTHKWGAFQRAVQQ-JXMROGBWSA-N 0 0 282.299 3.555 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(NC(=O)/C=C/c2ccccc2)c1 ZINC000005961924 170162685 /nfs/dbraw/zinc/16/26/85/170162685.db2.gz FZGHYVBKITYUNU-CSKARUKUSA-N 0 0 282.299 3.555 10 5 CHBERN Cc1ccc(C(=O)[C@@H](C)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000006061198 170173140 /nfs/dbraw/zinc/17/31/40/170173140.db2.gz LADYYXRXKSNGER-GFCCVEGCSA-N 0 0 285.299 3.553 10 5 CHBERN CC[C@H]1CCCCN1C(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000013829285 170601937 /nfs/dbraw/zinc/60/19/37/170601937.db2.gz SWKVEYGSGUBRLO-LBPRGKRZSA-N 0 0 293.392 3.556 10 5 CHBERN CCOc1ccccc1Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000020368602 171166771 /nfs/dbraw/zinc/16/67/71/171166771.db2.gz NMCCSQDXPTZOJM-UHFFFAOYSA-N 0 0 287.271 3.598 10 5 CHBERN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCc2ccccc21 ZINC000022015769 171349450 /nfs/dbraw/zinc/34/94/50/171349450.db2.gz RZEUKBATLPDMRJ-CYBMUJFWSA-N 0 0 272.279 3.833 10 5 CHBERN Clc1ccc2c(c1)[nH]c1nc3ccccc3nc21 ZINC000026463381 171485706 /nfs/dbraw/zinc/48/57/06/171485706.db2.gz WDRNLWGZQABDGF-UHFFFAOYSA-N 0 0 253.692 3.918 10 5 CHBERN C[C@H](Nc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000034979208 171912346 /nfs/dbraw/zinc/91/23/46/171912346.db2.gz AYYAYVYGDZSMJO-JTQLQIEISA-N 0 0 260.268 3.907 10 5 CHBERN Cc1nc2cc(NC3CCCC3)c([N+](=O)[O-])cc2s1 ZINC000035232983 172072723 /nfs/dbraw/zinc/07/27/23/172072723.db2.gz OFWBMTYTZHOBFN-UHFFFAOYSA-N 0 0 277.349 3.867 10 5 CHBERN CC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000035286590 172104454 /nfs/dbraw/zinc/10/44/54/172104454.db2.gz SECATFGZFHYVBB-UHFFFAOYSA-N 0 0 273.313 3.949 10 5 CHBERN C[C@@H](O)c1ccc(Oc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000035632353 172315057 /nfs/dbraw/zinc/31/50/57/172315057.db2.gz CCTLKSNACSYMEA-SECBINFHSA-N 0 0 277.251 3.580 10 5 CHBERN O=[N+]([O-])c1ccc(CNc2ccc3ccccc3c2)o1 ZINC000037276972 173088332 /nfs/dbraw/zinc/08/83/32/173088332.db2.gz LIAGQEOBQWTQTK-UHFFFAOYSA-N 0 0 268.272 3.953 10 5 CHBERN Cc1ncsc1[C@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000037298947 173103089 /nfs/dbraw/zinc/10/30/89/173103089.db2.gz BKPRUEOAQKKWKL-JTQLQIEISA-N 0 0 277.349 3.841 10 5 CHBERN CC(=O)c1ccc(Oc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000038081190 174090393 /nfs/dbraw/zinc/09/03/93/174090393.db2.gz YESPKRXABLLEIF-UHFFFAOYSA-N 0 0 275.235 3.729 10 5 CHBERN O=c1c(/C=C/c2ccc([N+](=O)[O-])cc2)coc2ccccc12 ZINC000038879564 174158737 /nfs/dbraw/zinc/15/87/37/174158737.db2.gz SOSALDPSJPEFEK-VMPITWQZSA-N 0 0 293.278 3.872 10 5 CHBERN Cc1c(Cl)cccc1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000040571153 174338488 /nfs/dbraw/zinc/33/84/88/174338488.db2.gz FSYHDRNWUVFKTE-UHFFFAOYSA-N 0 0 299.117 3.744 10 5 CHBERN Cc1cc(C)cc(CNc2ccc([N+](=O)[O-])cc2)c1 ZINC000043393139 175034084 /nfs/dbraw/zinc/03/40/84/175034084.db2.gz TZFIWJCLRVYKDG-UHFFFAOYSA-N 0 0 256.305 3.824 10 5 CHBERN Cc1c(C)c(Sc2ccccc2[N+](=O)[O-])nnc1Cl ZINC000071187227 176060717 /nfs/dbraw/zinc/06/07/17/176060717.db2.gz DRQAPTDMQPRDSU-UHFFFAOYSA-N 0 0 295.751 3.806 10 5 CHBERN O=[N+]([O-])c1cccc(F)c1N[C@@H]1CCc2c1cccc2F ZINC000214722904 260044737 /nfs/dbraw/zinc/04/47/37/260044737.db2.gz ITAIMSFATVRWBD-CYBMUJFWSA-N 0 0 290.269 3.972 10 5 CHBERN Cc1nc([C@@H](C)Nc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000036967153 260058275 /nfs/dbraw/zinc/05/82/75/260058275.db2.gz YVPTUWMXRKCQKZ-SSDOTTSWSA-N 0 0 281.312 3.672 10 5 CHBERN O=[N+]([O-])c1ccc(/C=C2\CCc3ccccc3[C@H]2O)cc1 ZINC000023002847 260125140 /nfs/dbraw/zinc/12/51/40/260125140.db2.gz MLXGQRWDSLUFGJ-WKOYGUFESA-N 0 0 281.311 3.658 10 5 CHBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1COc2ccccc21 ZINC000070198952 260154103 /nfs/dbraw/zinc/15/41/03/260154103.db2.gz UDXANTOSEIZUFJ-GFCCVEGCSA-N 0 0 290.706 3.794 10 5 CHBERN C[C@@H](Cc1cccs1)N(C)c1cccc(F)c1[N+](=O)[O-] ZINC000093293326 260274328 /nfs/dbraw/zinc/27/43/28/260274328.db2.gz RKPVDXDUGOZUOO-JTQLQIEISA-N 0 0 294.351 3.863 10 5 CHBERN O=[N+]([O-])c1ccc(F)cc1NCc1cc(F)ccc1F ZINC000113522279 261686850 /nfs/dbraw/zinc/68/68/50/261686850.db2.gz NQPDZOXZAALWOC-UHFFFAOYSA-N 0 0 282.221 3.624 10 5 CHBERN C[C@H]([NH2+]CCc1ccccc1F)c1ccccc1[N+](=O)[O-] ZINC000020526004 262244859 /nfs/dbraw/zinc/24/48/59/262244859.db2.gz RWUQAINOKIUBNW-LBPRGKRZSA-N 0 0 288.322 3.627 10 5 CHBERN C[C@@H](Nc1cc(F)ccc1[N+](=O)[O-])c1cccs1 ZINC000052119552 264067191 /nfs/dbraw/zinc/06/71/91/264067191.db2.gz DIBAUKHALGFRCT-MRVPVSSYSA-N 0 0 266.297 3.969 10 5 CHBERN O=[N+]([O-])c1ccc(NCCCCC(F)(F)F)cc1 ZINC000128954817 264305027 /nfs/dbraw/zinc/30/50/27/264305027.db2.gz BUEQNOUIPQAVHW-UHFFFAOYSA-N 0 0 262.231 3.739 10 5 CHBERN O=[N+]([O-])c1ccc(F)cc1N[C@H]1CCc2cc(F)ccc21 ZINC000162573057 330937333 /nfs/dbraw/zinc/93/73/33/330937333.db2.gz KUYMETSLKAQHSO-ZDUSSCGKSA-N 0 0 290.269 3.972 10 5 CHBERN CCc1cnc([C@H](C)Nc2ccccc2[N+](=O)[O-])s1 ZINC000134926111 334108581 /nfs/dbraw/zinc/10/85/81/334108581.db2.gz DJSTUZVREOQJOX-VIFPVBQESA-N 0 0 277.349 3.787 10 5 CHBERN Cc1cccc(NCC2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000549563994 334198290 /nfs/dbraw/zinc/19/82/90/334198290.db2.gz BUKFPRAGPMIHRP-VXGBXAGGSA-N 0 0 278.352 3.519 10 5 CHBERN CC(C)(C)[C@H](O)CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444945 518968222 /nfs/dbraw/zinc/96/82/22/518968222.db2.gz MYWWJXIMQYOFIE-GFCCVEGCSA-N 0 0 271.744 3.588 10 5 CHBERN CCCNc1ccc(COC(C)(C)C)cc1[N+](=O)[O-] ZINC000050832286 520158850 /nfs/dbraw/zinc/15/88/50/520158850.db2.gz KLJRHWQSGHCSQT-UHFFFAOYSA-N 0 0 266.341 3.732 10 5 CHBERN CCOc1cc(N[C@@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000111046495 520764013 /nfs/dbraw/zinc/76/40/13/520764013.db2.gz MGJMSOPQAHEDCQ-JTQLQIEISA-N 0 0 276.292 3.760 10 5 CHBERN CCCCOCc1ccc(NCCC)c([N+](=O)[O-])c1 ZINC000050833026 520810043 /nfs/dbraw/zinc/81/00/43/520810043.db2.gz VMKUVGFPBJWMIP-UHFFFAOYSA-N 0 0 266.341 3.733 10 5 CHBERN CCn1ccnc1COc1ccc([N+](=O)[O-])c2ccccc12 ZINC000151733494 523542462 /nfs/dbraw/zinc/54/24/62/523542462.db2.gz HYPKCDHLLHVMPC-UHFFFAOYSA-N 0 0 297.314 3.543 10 5 CHBERN CO[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000227759904 523976920 /nfs/dbraw/zinc/97/69/20/523976920.db2.gz XEUDFSVRJNPMMW-KOLCDFICSA-N 0 0 284.743 3.618 10 5 CHBERN Cc1ccc(NCCc2ccsc2)cc1[N+](=O)[O-] ZINC000061700952 525278894 /nfs/dbraw/zinc/27/88/94/525278894.db2.gz NTILKURSBMQTHO-UHFFFAOYSA-N 0 0 262.334 3.619 10 5 CHBERN Cc1cc(N[C@H]2CCCSC2)c([N+](=O)[O-])cc1C ZINC000061589473 525303086 /nfs/dbraw/zinc/30/30/86/525303086.db2.gz CCZMIHHFBNAZJJ-NSHDSACASA-N 0 0 266.366 3.519 10 5 CHBERN O=[N+]([O-])c1cccc(-c2nc(Cl)c3c(n2)CCCC3)c1 ZINC000048771026 527383435 /nfs/dbraw/zinc/38/34/35/527383435.db2.gz OWKVIDBWJLFLRG-UHFFFAOYSA-N 0 0 289.722 3.584 10 5 CHBERN Cc1ccc2ncc([N+](=O)[O-])c(Cl)c2c1Cl ZINC000584882114 567859796 /nfs/dbraw/zinc/85/97/96/567859796.db2.gz MVYOFSZWMGMTRI-UHFFFAOYSA-N 0 0 257.076 3.758 10 5 CHBERN C[N+](C)([O-])CC[C@@]1(c2ccccc2)C=Cc2ccccc21 ZINC000584618883 717184944 /nfs/dbraw/zinc/18/49/44/717184944.db2.gz ZFZFCHNOZPAAGQ-LJQANCHMSA-N 0 0 279.383 3.964 10 5 CHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000588436168 1118733049 /nfs/dbraw/zinc/73/30/49/1118733049.db2.gz IUIVAHYEWOHMOF-QXMHVHEDSA-N 0 0 282.299 3.637 10 5 CHBERN C/C=C(/CC)C(=O)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000588570354 1119322109 /nfs/dbraw/zinc/32/21/09/1119322109.db2.gz UAMWSNLSRUIRNR-BAQGIRSFSA-N 0 0 269.684 3.510 10 5 CHBERN Nc1ccc([N+](=O)[O-])cc1OCCC1CCCCC1 ZINC000095912939 185031170 /nfs/dbraw/zinc/03/11/70/185031170.db2.gz OQMOCWSVXXFORJ-UHFFFAOYSA-N 0 0 264.325 3.526 10 5 CHBERN Cc1cc(Oc2ccnc(Cl)c2)ccc1[N+](=O)[O-] ZINC000104270497 185950061 /nfs/dbraw/zinc/95/00/61/185950061.db2.gz JCCSTTPSTNLIFT-UHFFFAOYSA-N 0 0 264.668 3.744 10 5 CHBERN Cc1csc(Sc2ccc([C@@H](C)O)cc2[N+](=O)[O-])n1 ZINC000104288789 185955789 /nfs/dbraw/zinc/95/57/89/185955789.db2.gz URZAVWNLOCJAEC-MRVPVSSYSA-N 0 0 296.373 3.564 10 5 CHBERN Cc1cn2c(N=O)c(-c3ccc([N+](=O)[O-])cc3)nc2s1 ZINC000005116339 170067903 /nfs/dbraw/zinc/06/79/03/170067903.db2.gz GKQREIUTZBDBND-UHFFFAOYSA-N 0 0 288.288 3.677 10 5 CHBERN Cc1ccc(NC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000006212952 170183194 /nfs/dbraw/zinc/18/31/94/170183194.db2.gz HOBBNVOYABZDBC-UHFFFAOYSA-N 0 0 271.276 3.547 10 5 CHBERN Cc1c(-c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1O ZINC000006295156 170189220 /nfs/dbraw/zinc/18/92/20/170189220.db2.gz AXBOYLZCYHBUBO-UHFFFAOYSA-N 0 0 295.298 3.671 10 5 CHBERN O=[N+]([O-])c1cc2n[nH]cc2c(Sc2ccccc2)c1 ZINC000015415726 170665186 /nfs/dbraw/zinc/66/51/86/170665186.db2.gz CBDFQNPXVZSXTA-UHFFFAOYSA-N 0 0 271.301 3.622 10 5 CHBERN CC(C)[C@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000020523549 171236035 /nfs/dbraw/zinc/23/60/35/171236035.db2.gz HGMZDNUVVNNQBP-QMMMGPOBSA-N 0 0 287.157 3.814 10 5 CHBERN CCOc1ccc(CNc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000035223818 172067775 /nfs/dbraw/zinc/06/77/75/172067775.db2.gz LYIKBGPKAPPVRA-UHFFFAOYSA-N 0 0 286.331 3.914 10 5 CHBERN O=C(c1ccc([N+](=O)[O-])o1)c1csc2ccccc12 ZINC000035369411 172161114 /nfs/dbraw/zinc/16/11/14/172161114.db2.gz QIXJDGBAWUOBLE-UHFFFAOYSA-N 0 0 273.269 3.634 10 5 CHBERN Cc1c(CSc2ccccc2N)cccc1[N+](=O)[O-] ZINC000035649447 172326250 /nfs/dbraw/zinc/32/62/50/172326250.db2.gz DWMQXVPSFUFWGQ-UHFFFAOYSA-N 0 0 274.345 3.778 10 5 CHBERN Cc1nc([C@@H](C)Nc2cc([N+](=O)[O-])ccc2F)cs1 ZINC000037060539 172924997 /nfs/dbraw/zinc/92/49/97/172924997.db2.gz RYUVZMSNLDTHEX-SSDOTTSWSA-N 0 0 281.312 3.672 10 5 CHBERN O=[N+]([O-])c1cc(F)cc(Sc2ccc(O)cc2)c1 ZINC000038079226 174089312 /nfs/dbraw/zinc/08/93/12/174089312.db2.gz SNIGLYFEGNSHAC-UHFFFAOYSA-N 0 0 265.265 3.591 10 5 CHBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCCC[C@@H]1O ZINC000302826749 227891401 /nfs/dbraw/zinc/89/14/01/227891401.db2.gz NDWYUBUHHOPDKM-MFKMUULPSA-N 0 0 298.770 3.520 10 5 CHBERN CCc1ccsc1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000088290735 260231309 /nfs/dbraw/zinc/23/13/09/260231309.db2.gz KYFDBVVHKPJJOK-UHFFFAOYSA-N 0 0 277.349 3.534 10 5 CHBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)CC1CC1 ZINC000191408810 264501716 /nfs/dbraw/zinc/50/17/16/264501716.db2.gz APFRIWKGGRZMNC-NSHDSACASA-N 0 0 291.351 3.522 10 5 CHBERN COc1ccc(F)c(N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000094854554 265263964 /nfs/dbraw/zinc/26/39/64/265263964.db2.gz APKRJJVBDLKJRZ-SNVBAGLBSA-N 0 0 290.294 3.916 10 5 CHBERN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]1c1ccco1 ZINC000116293385 267137094 /nfs/dbraw/zinc/13/70/94/267137094.db2.gz RXSKQSRLYCNURM-AWEZNQCLSA-N 0 0 290.294 3.664 10 5 CHBERN CC[C@@H](N[C@H](C)c1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000080268467 326928461 /nfs/dbraw/zinc/92/84/61/326928461.db2.gz PMWMZRKVSVFBIH-ZWNOBZJWSA-N 0 0 291.376 3.853 10 5 CHBERN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCc2c(N)cccc21 ZINC000261913111 329988660 /nfs/dbraw/zinc/98/86/60/329988660.db2.gz YPUHYEHLBTYELS-GFCCVEGCSA-N 0 0 297.358 3.691 10 5 CHBERN Cc1noc(C)c1[C@@H](C)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218854554 333137213 /nfs/dbraw/zinc/13/72/13/333137213.db2.gz NXKVUTJQGGSJCM-SECBINFHSA-N 0 0 275.308 3.681 10 5 CHBERN Cc1cc(Oc2cc(F)cc(C=O)c2)ccc1[N+](=O)[O-] ZINC000225516631 333236655 /nfs/dbraw/zinc/23/66/55/333236655.db2.gz JNVHXQXFPYLSSA-UHFFFAOYSA-N 0 0 275.235 3.647 10 5 CHBERN CCc1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000227650646 333287170 /nfs/dbraw/zinc/28/71/70/333287170.db2.gz YRLZXNMHRSVUHS-UHFFFAOYSA-N 0 0 291.738 3.818 10 5 CHBERN CCS[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000230922088 333322715 /nfs/dbraw/zinc/32/27/15/333322715.db2.gz CIHBKEOVYHPTSE-CHWSQXEVSA-N 0 0 280.393 3.989 10 5 CHBERN C/C=C/CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000134666427 334099817 /nfs/dbraw/zinc/09/98/17/334099817.db2.gz DITOGFMJNUQWIK-NSCUHMNNSA-N 0 0 257.293 3.521 10 5 CHBERN CCc1cnc([C@@H](C)Nc2ccccc2[N+](=O)[O-])s1 ZINC000134926091 334108627 /nfs/dbraw/zinc/10/86/27/334108627.db2.gz DJSTUZVREOQJOX-SECBINFHSA-N 0 0 277.349 3.787 10 5 CHBERN CCc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000134929287 334108660 /nfs/dbraw/zinc/10/86/60/334108660.db2.gz BVTVJFYTWWGLLV-VIFPVBQESA-N 0 0 277.349 3.787 10 5 CHBERN C[C@H]1CS[C@@H](/C=C\c2ccccc2[N+](=O)[O-])S1 ZINC000013403329 518184755 /nfs/dbraw/zinc/18/47/55/518184755.db2.gz FSFJFWRVPPIIFR-CVEYJHOQSA-N 0 0 267.375 3.803 10 5 CHBERN CCS[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000223249111 521727036 /nfs/dbraw/zinc/72/70/36/521727036.db2.gz XDWQGUJVOOYAHV-DGCLKSJQSA-N 0 0 280.393 3.989 10 5 CHBERN Cc1cc(NC2CCSCC2)c([N+](=O)[O-])cc1C ZINC000050439517 525265652 /nfs/dbraw/zinc/26/56/52/525265652.db2.gz BCIUTFHVVVISRN-UHFFFAOYSA-N 0 0 266.366 3.519 10 5 CHBERN Cc1c(Sc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000062724561 525886662 /nfs/dbraw/zinc/88/66/62/525886662.db2.gz AAKQNBKMYQWHSO-UHFFFAOYSA-N 0 0 261.302 3.760 10 5 CHBERN Nc1cc([N+](=O)[O-])ccc1Nc1cccc(Cl)c1 ZINC000052840348 527461636 /nfs/dbraw/zinc/46/16/36/527461636.db2.gz DIQOINYCOANVOM-UHFFFAOYSA-N 0 0 263.684 3.574 10 5 CHBERN O=[N+]([O-])c1cnc2c(F)cc(Cl)cc2c1Cl ZINC000165871595 567882267 /nfs/dbraw/zinc/88/22/67/567882267.db2.gz GSWLNNAMXJEINS-UHFFFAOYSA-N 0 0 261.039 3.589 10 5 CHBERN O=[N+]([O-])c1cc(F)ccc1-c1cc(Cl)cnc1F ZINC000725241235 567907669 /nfs/dbraw/zinc/90/76/69/567907669.db2.gz DYBXVGSIFWCYLR-UHFFFAOYSA-N 0 0 270.622 3.588 10 5 CHBERN C/C=C(/CC)C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000588570090 1119320067 /nfs/dbraw/zinc/32/00/67/1119320067.db2.gz NZNWYFVQMRPIPK-ZQJWYQMXSA-N 0 0 263.293 3.555 10 5 CHBERN C[C@@H](Cc1ccccc1)[N@@+](C)([O-])Cc1ccccc1 ZINC000256169910 190006288 /nfs/dbraw/zinc/00/62/88/190006288.db2.gz LXPCOISGJFXEJE-YJBOKZPZSA-N 0 0 255.361 3.762 10 5 CHBERN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000005513366 170106352 /nfs/dbraw/zinc/10/63/52/170106352.db2.gz KQOUEOHDOKHONV-UHFFFAOYSA-N 0 0 294.669 3.640 10 5 CHBERN CC1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000006272911 170187598 /nfs/dbraw/zinc/18/75/98/170187598.db2.gz ZYQFJZLCULYHPB-UHFFFAOYSA-N 0 0 296.754 3.557 10 5 CHBERN O=C(OCc1cccs1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007264904 170274990 /nfs/dbraw/zinc/27/49/90/170274990.db2.gz NYBAXGXEKDZUIE-UHFFFAOYSA-N 0 0 297.719 3.667 10 5 CHBERN CC(=O)c1ccc(Oc2ccccc2F)c([N+](=O)[O-])c1 ZINC000008080120 170318393 /nfs/dbraw/zinc/31/83/93/170318393.db2.gz YHSTUKYSGQHISR-UHFFFAOYSA-N 0 0 275.235 3.729 10 5 CHBERN O=Cc1ccc(Oc2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000008148377 170321445 /nfs/dbraw/zinc/32/14/45/170321445.db2.gz LSUKRZSZTAVHLI-UHFFFAOYSA-N 0 0 295.653 3.992 10 5 CHBERN CCOc1ccc(Oc2ccc(C=O)cc2[N+](=O)[O-])cc1 ZINC000020298708 171138316 /nfs/dbraw/zinc/13/83/16/171138316.db2.gz BUTKFJWUCPZUOR-UHFFFAOYSA-N 0 0 287.271 3.598 10 5 CHBERN COc1cc(C)ccc1Oc1ccc([N+](=O)[O-])cc1C=O ZINC000020368588 171166937 /nfs/dbraw/zinc/16/69/37/171166937.db2.gz DDFAGDZDUDSPCQ-UHFFFAOYSA-N 0 0 287.271 3.517 10 5 CHBERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000020474771 171218702 /nfs/dbraw/zinc/21/87/02/171218702.db2.gz LKLKBLMGTQDECI-CWSCBRNRSA-N 0 0 266.316 3.971 10 5 CHBERN COc1ccc(N[C@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000021039561 171293329 /nfs/dbraw/zinc/29/33/29/171293329.db2.gz BIYOWOKKVPAKFV-GVXVVHGQSA-N 0 0 278.352 3.840 10 5 CHBERN CCOc1ccc(CNc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000035224021 172068059 /nfs/dbraw/zinc/06/80/59/172068059.db2.gz IINISGIDMJXYMI-UHFFFAOYSA-N 0 0 290.294 3.745 10 5 CHBERN Cc1ncsc1[C@H](C)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000037299312 173103735 /nfs/dbraw/zinc/10/37/35/173103735.db2.gz DDONLTZRHKGBFK-QMMMGPOBSA-N 0 0 281.312 3.672 10 5 CHBERN C[C@@H](Nc1ccncc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000038093168 174106817 /nfs/dbraw/zinc/10/68/17/174106817.db2.gz SVEUANHRVSFZSY-SECBINFHSA-N 0 0 277.711 3.816 10 5 CHBERN COC(=O)[C@@H](C)c1ccc2c(c1)ccc1ccccc1c2=O ZINC000039220555 174166347 /nfs/dbraw/zinc/16/63/47/174166347.db2.gz ZWBGMJXMKNGQOM-LBPRGKRZSA-N 0 0 292.334 3.630 10 5 CHBERN O=[N+]([O-])c1ccc(Nc2ccn(Cc3ccccc3)n2)cc1 ZINC000301975030 227747380 /nfs/dbraw/zinc/74/73/80/227747380.db2.gz CLFXNCTUHFBJLO-UHFFFAOYSA-N 0 0 294.314 3.583 10 5 CHBERN O=[N+]([O-])c1ccc(N[C@H]2COc3ccccc32)c(Cl)c1 ZINC000070287355 260155713 /nfs/dbraw/zinc/15/57/13/260155713.db2.gz BSQLVFNUPDGMRC-ZDUSSCGKSA-N 0 0 290.706 3.794 10 5 CHBERN Cc1cnc(N[C@@H](C)c2ccccc2C)c([N+](=O)[O-])c1 ZINC000090692194 260382280 /nfs/dbraw/zinc/38/22/80/260382280.db2.gz VDCUCYLUHGHPSB-LBPRGKRZSA-N 0 0 271.320 3.780 10 5 CHBERN Cc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)cs1 ZINC000043570092 260643340 /nfs/dbraw/zinc/64/33/40/260643340.db2.gz LJOZTOUHJPNOOX-SECBINFHSA-N 0 0 277.349 3.841 10 5 CHBERN O=[N+]([O-])c1ccccc1NCCCCC(F)(F)F ZINC000128952230 264305087 /nfs/dbraw/zinc/30/50/87/264305087.db2.gz DFIPTJRPNXAKIQ-UHFFFAOYSA-N 0 0 262.231 3.739 10 5 CHBERN CC(C)c1nc(CNc2ccc([N+](=O)[O-])cc2F)cs1 ZINC000301154164 328827053 /nfs/dbraw/zinc/82/70/53/328827053.db2.gz BYCOUOORAFCECJ-UHFFFAOYSA-N 0 0 295.339 3.926 10 5 CHBERN C[C@@H]1C[C@@H](CNc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000432174556 330594452 /nfs/dbraw/zinc/59/44/52/330594452.db2.gz DBRQRDFFTCYRKU-JGPRNRPPSA-N 0 0 298.770 3.864 10 5 CHBERN CCS[C@H]1CC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000230922449 333322714 /nfs/dbraw/zinc/32/27/14/333322714.db2.gz RUMJGOGBPFMKAJ-MNOVXSKESA-N 0 0 284.356 3.820 10 5 CHBERN Cc1ccc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000543851626 333903140 /nfs/dbraw/zinc/90/31/40/333903140.db2.gz MYGGUIDOIBBYJZ-CLLJXQQHSA-N 0 0 278.352 3.519 10 5 CHBERN COc1cccc(N[C@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000134905189 334107595 /nfs/dbraw/zinc/10/75/95/334107595.db2.gz UDQMMMCSSPANPA-SECBINFHSA-N 0 0 278.333 3.838 10 5 CHBERN C[C@@H]1CC(=O)Oc2cc(Oc3ccccc3[N+](=O)[O-])ccc21 ZINC000302836968 534142315 /nfs/dbraw/zinc/14/23/15/534142315.db2.gz WZYYFSXGMYNSCY-SNVBAGLBSA-N 0 0 299.282 3.800 10 5 CHBERN CCCNc1ccc([N+](=O)[O-])cc1CO[C@@H](C)CC ZINC000050833271 520171584 /nfs/dbraw/zinc/17/15/84/520171584.db2.gz AJRJAWGRGMBPJS-NSHDSACASA-N 0 0 266.341 3.732 10 5 CHBERN CO[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000227759916 523983997 /nfs/dbraw/zinc/98/39/97/523983997.db2.gz XEUDFSVRJNPMMW-ONGXEEELSA-N 0 0 284.743 3.618 10 5 CHBERN C[C@H]1CCC[C@@H](Sc2ccc([N+](=O)[O-])cc2N)C1 ZINC000054689305 524154251 /nfs/dbraw/zinc/15/42/51/524154251.db2.gz LUJUOGJMQWZTLZ-GXSJLCMTSA-N 0 0 266.366 3.848 10 5 CHBERN Cc1ccc(Nc2cccc(F)c2[N+](=O)[O-])cc1F ZINC000054269377 525324460 /nfs/dbraw/zinc/32/44/60/525324460.db2.gz OJDFSCIMRXAWJS-UHFFFAOYSA-N 0 0 264.231 3.925 10 5 CHBERN C[C@@H]1CCC(=O)[C@H](CCc2ccccc2[N+](=O)[O-])C1 ZINC000062726804 526238318 /nfs/dbraw/zinc/23/83/18/526238318.db2.gz DTDBPGNSYVLNCW-DGCLKSJQSA-N 0 0 261.321 3.533 10 5 CHBERN O=[N+]([O-])c1c(F)cccc1Oc1ccc(F)cc1 ZINC000054269098 527322226 /nfs/dbraw/zinc/32/22/26/527322226.db2.gz GQUBOFPIPWIDMB-UHFFFAOYSA-N 0 0 251.188 3.665 10 5 CHBERN Nc1ccc([N+](=O)[O-])cc1CSc1ccccc1F ZINC000050833979 527504023 /nfs/dbraw/zinc/50/40/23/527504023.db2.gz ICWVCZSTASXQOT-UHFFFAOYSA-N 0 0 278.308 3.608 10 5 CHBERN COc1cc2ccc3cc(OC)c(O)cc3c2c(OC)c1 ZINC000000899115 560125784 /nfs/dbraw/zinc/12/57/84/560125784.db2.gz KGYHMWVRKYFQQR-UHFFFAOYSA-N 0 0 284.311 3.724 10 5 endogenous,in-man CHBERN CCOc1ccc(-c2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000725263834 567923034 /nfs/dbraw/zinc/92/30/34/567923034.db2.gz ODCSTEMJGIPXCG-UHFFFAOYSA-N 0 0 261.252 3.800 10 5 CHBERN O=[N+]([O-])c1cccc(-c2ccc([C@H]3CCO3)cc2)c1 ZINC000725265080 567923313 /nfs/dbraw/zinc/92/33/13/567923313.db2.gz CZKQFWFXJGETIZ-OAHLLOKOSA-N 0 0 255.273 3.723 10 5 CHBERN C[N@+]1([O-])CCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000701662727 717188377 /nfs/dbraw/zinc/18/83/77/717188377.db2.gz ZDBGXQJKFLJWRJ-NRFANRHFSA-N 0 0 292.382 3.690 10 5 CHBERN CC(=O)c1ccc(F)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC000082708944 178218840 /nfs/dbraw/zinc/21/88/40/178218840.db2.gz DMCPSVOAWJDCHP-UHFFFAOYSA-N 0 0 259.236 3.604 10 5 CHBERN Cc1cccc(CNc2c(C)cccc2[N+](=O)[O-])c1 ZINC000083415518 178423425 /nfs/dbraw/zinc/42/34/25/178423425.db2.gz XMIHONVXXHBBKE-UHFFFAOYSA-N 0 0 256.305 3.824 10 5 CHBERN CC1CCC(CNc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000104182859 185917931 /nfs/dbraw/zinc/91/79/31/185917931.db2.gz KSQNJCBCPREUTJ-UHFFFAOYSA-N 0 0 266.316 3.972 10 5 CHBERN C[C@H](CC(=O)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000104447925 186005951 /nfs/dbraw/zinc/00/59/51/186005951.db2.gz QVSCXSMMZPRMAP-LLVKDONJSA-N 0 0 263.337 3.779 10 5 CHBERN COc1cc2c3c(cc4ccccc4c3c1OC)NC2=O ZINC000006017925 170168499 /nfs/dbraw/zinc/16/84/99/170168499.db2.gz YHQIYHDLBZXUON-UHFFFAOYSA-N 0 0 279.295 3.576 10 5 biogenic,in-vitro CHBERN O=[N+]([O-])c1cccc2nc3ccccc3c(Cl)c21 ZINC000006117601 170177282 /nfs/dbraw/zinc/17/72/82/170177282.db2.gz JOUFIQVFVDNYRT-UHFFFAOYSA-N 0 0 258.664 3.950 10 5 CHBERN CC(C)CNc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000006671396 170224965 /nfs/dbraw/zinc/22/49/65/170224965.db2.gz ZHVVOGBYHMGBQC-UHFFFAOYSA-N 0 0 277.349 3.786 10 5 CHBERN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000020669714 171269623 /nfs/dbraw/zinc/26/96/23/171269623.db2.gz ZOJFKGITMLUVOC-VIFPVBQESA-N 0 0 291.263 3.578 10 5 CHBERN O=[N+]([O-])c1ccc(Cl)c(/C=C/Br)c1 ZINC000021997424 171347724 /nfs/dbraw/zinc/34/77/24/171347724.db2.gz SPDLQMRXNDKGKQ-ONEGZZNKSA-N 0 0 262.490 3.614 10 5 CHBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000035056176 171959269 /nfs/dbraw/zinc/95/92/69/171959269.db2.gz DPXSCIKSUFKTKF-QMMMGPOBSA-N 0 0 266.297 3.969 10 5 CHBERN C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccco1 ZINC000035135127 172002237 /nfs/dbraw/zinc/00/22/37/172002237.db2.gz YYLONIXECAXBPY-JTQLQIEISA-N 0 0 283.287 3.909 10 5 CHBERN Cc1ccc(NCCc2ccccc2)cc1[N+](=O)[O-] ZINC000035223823 172068224 /nfs/dbraw/zinc/06/82/24/172068224.db2.gz QMJZAGYAHYSRCN-UHFFFAOYSA-N 0 0 256.305 3.558 10 5 CHBERN COc1cc([N+](=O)[O-])ccc1N[C@H](C)c1ccccc1 ZINC000035224070 172068965 /nfs/dbraw/zinc/06/89/65/172068965.db2.gz JBSUWXXQTNSUOY-LLVKDONJSA-N 0 0 272.304 3.777 10 5 CHBERN CCOC(=O)c1c(Cl)c(Cl)cc([N+](=O)[O-])c1Cl ZINC000035333602 172131973 /nfs/dbraw/zinc/13/19/73/172131973.db2.gz HGRRXAIFBAKLBE-UHFFFAOYSA-N 0 0 298.509 3.732 10 5 CHBERN CCN[C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(Cl)s1 ZINC000035552784 172260076 /nfs/dbraw/zinc/26/00/76/172260076.db2.gz KZTHTMDKEVIBQT-NSHDSACASA-N 0 0 286.740 3.602 10 5 CHBERN Cc1ccc(OCc2ccccc2[N+](=O)[O-])c([C@@H](C)O)c1 ZINC000035630173 172311462 /nfs/dbraw/zinc/31/14/62/172311462.db2.gz VGJCHSBCMDUEJQ-GFCCVEGCSA-N 0 0 287.315 3.536 10 5 CHBERN Nc1ccc(SCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC000037194548 173024002 /nfs/dbraw/zinc/02/40/02/173024002.db2.gz ZQBOKYUPLYGIGW-UHFFFAOYSA-N 0 0 278.308 3.608 10 5 CHBERN COC(=O)[C@H](C)c1ccc2c(c1)ccc1ccccc1c2=O ZINC000039220556 174166115 /nfs/dbraw/zinc/16/61/15/174166115.db2.gz ZWBGMJXMKNGQOM-GFCCVEGCSA-N 0 0 292.334 3.630 10 5 CHBERN Cc1ccc([N+](=O)[O-])cc1NCCCOc1ccccc1 ZINC000041571814 174569450 /nfs/dbraw/zinc/56/94/50/174569450.db2.gz LLTCBBKUOARSNJ-UHFFFAOYSA-N 0 0 286.331 3.784 10 5 CHBERN COc1cc(Br)cc2nc3ccccc3nc21 ZINC000072108543 176317251 /nfs/dbraw/zinc/31/72/51/176317251.db2.gz NBYICNJIRHYVFV-UHFFFAOYSA-N 0 0 289.132 3.554 10 5 CHBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCCC[C@H]1O ZINC000302826750 227891181 /nfs/dbraw/zinc/89/11/81/227891181.db2.gz NDWYUBUHHOPDKM-ZWNOBZJWSA-N 0 0 298.770 3.520 10 5 CHBERN C[C@H](Cc1cccs1)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000071271193 260160848 /nfs/dbraw/zinc/16/08/48/260160848.db2.gz JPTHLXUXFBJMSL-SECBINFHSA-N 0 0 280.324 3.839 10 5 CHBERN Cc1csc([C@H](C)Nc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000080321570 260180581 /nfs/dbraw/zinc/18/05/81/260180581.db2.gz HUNIGEANMCZGNY-QMMMGPOBSA-N 0 0 281.312 3.672 10 5 CHBERN CCc1ccsc1CNc1nccc(C)c1[N+](=O)[O-] ZINC000088290771 260231257 /nfs/dbraw/zinc/23/12/57/260231257.db2.gz HAZJLUQQBULXGG-UHFFFAOYSA-N 0 0 277.349 3.534 10 5 CHBERN CCC1CCC(Nc2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000090692152 260382550 /nfs/dbraw/zinc/38/25/50/260382550.db2.gz CRYXCYFSUXEPQZ-UHFFFAOYSA-N 0 0 263.341 3.679 10 5 CHBERN O=[N+]([O-])c1cc(CN2CCC[C@H]2c2ccco2)cs1 ZINC000116289210 267136919 /nfs/dbraw/zinc/13/69/19/267136919.db2.gz BPFHBNPEZBHWPY-NSHDSACASA-N 0 0 278.333 3.586 10 5 CHBERN C[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000037562790 326855392 /nfs/dbraw/zinc/85/53/92/326855392.db2.gz LHVULZOQUNMSPO-MRVPVSSYSA-N 0 0 298.314 3.785 10 5 CHBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)c1ccccc1C ZINC000091558547 327102623 /nfs/dbraw/zinc/10/26/23/327102623.db2.gz OLTHAGFVVJEISG-LLVKDONJSA-N 0 0 288.351 3.601 10 5 CHBERN CCCCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812612 520289755 /nfs/dbraw/zinc/28/97/55/520289755.db2.gz JOPQRVIDYJCESW-LLVKDONJSA-N 0 0 251.330 3.679 10 5 CHBERN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000042240385 525730615 /nfs/dbraw/zinc/73/06/15/525730615.db2.gz WNKXKYJBFDXUKI-SSDOTTSWSA-N 0 0 283.740 3.878 10 5 CHBERN O=[N+]([O-])c1ccc(-c2nc(-c3ccsc3)no2)c(F)c1 ZINC000109476117 527342904 /nfs/dbraw/zinc/34/29/04/527342904.db2.gz NTKJTLNEDCICLK-UHFFFAOYSA-N 0 0 291.263 3.512 10 5 CHBERN CCOc1cc(N2CC[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000301591718 528312662 /nfs/dbraw/zinc/31/26/62/528312662.db2.gz UGHPOTLXOJIZMC-OCCSQVGLSA-N 0 0 290.363 3.762 10 5 CHBERN CC(C)=CCc1ccc2c(=O)c3c(O)cccc3oc2c1O ZINC000005854725 560203717 /nfs/dbraw/zinc/20/37/17/560203717.db2.gz APHJPNXEBUUMKB-UHFFFAOYSA-N 0 0 296.322 3.866 10 5 biogenic,in-vitro CHBERN Cc1cc(Cl)cc2c(Cl)c([N+](=O)[O-])cnc12 ZINC000165868182 567882491 /nfs/dbraw/zinc/88/24/91/567882491.db2.gz YZHXYXVKNDYYPG-UHFFFAOYSA-N 0 0 257.076 3.758 10 5 CHBERN COc1ccc(-c2cc(-c3ccccc3[N+](=O)[O-])[nH]n2)cc1 ZINC000095643028 185017529 /nfs/dbraw/zinc/01/75/29/185017529.db2.gz CIVZUTAUOXFTCX-UHFFFAOYSA-N 0 0 295.298 3.661 10 5 CHBERN O=C1c2ccccc2Cc2ccc3cc([N+](=O)[O-])ccc3c21 ZINC000095932028 185032684 /nfs/dbraw/zinc/03/26/84/185032684.db2.gz NRUJRVKTLBOXGH-UHFFFAOYSA-N 0 0 289.290 3.883 10 5 CHBERN CC1(C)C=Cc2c(cc(O)c3c(=O)c4ccccc4oc23)O1 ZINC000096932854 185132242 /nfs/dbraw/zinc/13/22/42/185132242.db2.gz IXSPMALLMDABPI-UHFFFAOYSA-N 0 0 294.306 3.836 10 5 CHBERN CCC[C@H](C)CNc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000083429755 178435791 /nfs/dbraw/zinc/43/57/91/178435791.db2.gz GJRKTYCAYYBTPE-QMMMGPOBSA-N 0 0 258.268 3.721 10 5 CHBERN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000104251422 185944076 /nfs/dbraw/zinc/94/40/76/185944076.db2.gz XPGUJKXXFJVWBO-YNEHKIRRSA-N 0 0 260.337 3.751 10 5 CHBERN CCC(CC)[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000104439673 186002178 /nfs/dbraw/zinc/00/21/78/186002178.db2.gz HMBBKKSUHLEPOI-JTQLQIEISA-N 0 0 251.330 3.535 10 5 CHBERN CO[C@]1(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)OC1(C)C ZINC000001599639 169722813 /nfs/dbraw/zinc/72/28/13/169722813.db2.gz IBKUAHHHJMVQLB-QGZVFWFLSA-N 0 0 299.326 3.870 10 5 CHBERN Cc1nc([C@H](C)Nc2ccc(C)cc2[N+](=O)[O-])cs1 ZINC000037059866 260066442 /nfs/dbraw/zinc/06/64/42/260066442.db2.gz QJUVTEZERUTUNV-VIFPVBQESA-N 0 0 277.349 3.841 10 5 CHBERN CC(=O)c1ccc2c3cc([N+](=O)[O-])oc3ccc2c1 ZINC000002012076 169767546 /nfs/dbraw/zinc/76/75/46/169767546.db2.gz KNPMKNLEQSHSEL-UHFFFAOYSA-N 0 0 255.229 3.697 10 5 CHBERN Cc1cc(NC(=O)OC2CCCCC2)ccc1[N+](=O)[O-] ZINC000005257015 170080434 /nfs/dbraw/zinc/08/04/34/170080434.db2.gz HNURFFREOVDMQX-UHFFFAOYSA-N 0 0 278.308 3.784 10 5 CHBERN O=[N+]([O-])c1ccccc1NC1C2CC3CC(C2)CC1C3 ZINC000008204462 170324397 /nfs/dbraw/zinc/32/43/97/170324397.db2.gz UPGYZODHOIMFMS-UHFFFAOYSA-N 0 0 272.348 3.831 10 5 CHBERN O=[N+]([O-])c1cc(CO)ccc1Oc1ccccc1Cl ZINC000020362877 171161386 /nfs/dbraw/zinc/16/13/86/171161386.db2.gz GSEGLRLPTQIUJK-UHFFFAOYSA-N 0 0 279.679 3.533 10 5 CHBERN Cc1ccc(O[C@H](C)C(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000022051016 171350517 /nfs/dbraw/zinc/35/05/17/171350517.db2.gz IBQHZFYMBYLTSE-GFCCVEGCSA-N 0 0 285.299 3.553 10 5 CHBERN COc1ccc2[nH]c3c(cc4c(CO)nccc4c3C)c2c1 ZINC000027550223 171520698 /nfs/dbraw/zinc/52/06/98/171520698.db2.gz ZLTSTBKNYCEXOB-UHFFFAOYSA-N 0 0 292.338 3.679 10 5 CHBERN Cc1ccc(CNc2cccc([N+](=O)[O-])c2C)cc1 ZINC000035047106 171951178 /nfs/dbraw/zinc/95/11/78/171951178.db2.gz RJJNNFHOJBZEKF-UHFFFAOYSA-N 0 0 256.305 3.824 10 5 CHBERN CCC[C@H](C)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000035185776 172039831 /nfs/dbraw/zinc/03/98/31/172039831.db2.gz DIAWSGYCFMSIFH-JTQLQIEISA-N 0 0 259.309 3.744 10 5 CHBERN C[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000035223771 172067920 /nfs/dbraw/zinc/06/79/20/172067920.db2.gz QLNZRIJAUWYRJX-SNVBAGLBSA-N 0 0 260.268 3.907 10 5 CHBERN C[C@@H](Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1 ZINC000035224013 172068094 /nfs/dbraw/zinc/06/80/94/172068094.db2.gz WDUCUMAJSBKYIE-SNVBAGLBSA-N 0 0 260.268 3.907 10 5 CHBERN COc1ccc([N+](=O)[O-])cc1NCC1CCCCC1 ZINC000035223718 172068249 /nfs/dbraw/zinc/06/82/49/172068249.db2.gz CMWOWXWMRHGSIJ-UHFFFAOYSA-N 0 0 264.325 3.596 10 5 CHBERN CCOc1ccccc1CNc1cc([N+](=O)[O-])ccc1C ZINC000035223851 172068251 /nfs/dbraw/zinc/06/82/51/172068251.db2.gz XTVSNRLYDJXRKJ-UHFFFAOYSA-N 0 0 286.331 3.914 10 5 CHBERN COc1cc([N+](=O)[O-])ccc1NCc1ccc(C)cc1 ZINC000035224056 172068606 /nfs/dbraw/zinc/06/86/06/172068606.db2.gz MSOAAUKBBSQGOT-UHFFFAOYSA-N 0 0 272.304 3.524 10 5 CHBERN C[C@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccncc1 ZINC000037061044 172925220 /nfs/dbraw/zinc/92/52/20/172925220.db2.gz MSKXFDUSGCKQOS-VIFPVBQESA-N 0 0 277.711 3.816 10 5 CHBERN CCOc1ccc(Oc2nc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000038082230 174091288 /nfs/dbraw/zinc/09/12/88/174091288.db2.gz VSTCJGLYIRJAJS-UHFFFAOYSA-N 0 0 294.694 3.834 10 5 CHBERN CC(C)c1ccc(Oc2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000040571189 174338494 /nfs/dbraw/zinc/33/84/94/174338494.db2.gz QEOZHWWUQKDIDV-UHFFFAOYSA-N 0 0 293.710 3.954 10 5 CHBERN CC[C@@H]1CCC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000043653537 175085315 /nfs/dbraw/zinc/08/53/15/175085315.db2.gz AUSLTTVLIOEMER-DGCLKSJQSA-N 0 0 261.321 3.533 10 5 CHBERN O=[N+]([O-])c1ccc(NCc2ccccc2)cc1Cl ZINC000075824419 176798567 /nfs/dbraw/zinc/79/85/67/176798567.db2.gz UPIRDRCISPQRBF-UHFFFAOYSA-N 0 0 262.696 3.860 10 5 CHBERN C[C@H](COc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000301102683 227449074 /nfs/dbraw/zinc/44/90/74/227449074.db2.gz PEYUXOYUHZCJLO-LLVKDONJSA-N 0 0 290.294 3.613 10 5 CHBERN Cc1nc(CNc2c(C)cccc2[N+](=O)[O-])c(C)s1 ZINC000129019177 264313657 /nfs/dbraw/zinc/31/36/57/264313657.db2.gz DVJWKSSGWGUDKE-UHFFFAOYSA-N 0 0 277.349 3.589 10 5 CHBERN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000103024652 328728624 /nfs/dbraw/zinc/72/86/24/328728624.db2.gz ASNAATJZNWSDSW-UHFFFAOYSA-N 0 0 288.278 3.603 10 5 CHBERN CCS[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000078587546 330326813 /nfs/dbraw/zinc/32/68/13/330326813.db2.gz KTVAZUAYJWROKP-WCQYABFASA-N 0 0 266.366 3.681 10 5 CHBERN Cc1csc([C@@H](C)Nc2cccc(C)c2[N+](=O)[O-])n1 ZINC000218848893 333137224 /nfs/dbraw/zinc/13/72/24/333137224.db2.gz HCTIJQPSNUBIPJ-SNVBAGLBSA-N 0 0 277.349 3.841 10 5 CHBERN COc1cc(N[C@@H](C)C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000227858415 333289284 /nfs/dbraw/zinc/28/92/84/333289284.db2.gz OKLIWURPNPFVGN-VIFPVBQESA-N 0 0 282.315 3.733 10 5 CHBERN CCOc1cccc(NCC2(C3CC3)CC2)c1[N+](=O)[O-] ZINC000231038120 333323878 /nfs/dbraw/zinc/32/38/78/333323878.db2.gz CZQAZCRCMLUIGJ-UHFFFAOYSA-N 0 0 276.336 3.596 10 5 CHBERN CC(C)[C@@H](C)CC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000120981502 519790283 /nfs/dbraw/zinc/79/02/83/519790283.db2.gz NLCPSKCHRIBPOQ-LBPRGKRZSA-N 0 0 290.363 3.556 10 5 CHBERN CC[C@@H](Nc1cc([N+](=O)[O-])ccn1)c1ccccc1 ZINC000051628834 522955994 /nfs/dbraw/zinc/95/59/94/522955994.db2.gz SQUBOVGWCHRZSY-CYBMUJFWSA-N 0 0 257.293 3.553 10 5 CHBERN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1cccs1 ZINC000052812336 525577737 /nfs/dbraw/zinc/57/77/37/525577737.db2.gz FGIAPHQYDCXPST-SECBINFHSA-N 0 0 263.322 3.533 10 5 CHBERN Cc1ccc([C@@H](C)Nc2ncnc(Cl)c2[N+](=O)[O-])s1 ZINC000050455429 525754020 /nfs/dbraw/zinc/75/40/20/525754020.db2.gz LVSZNUQLMPVOPV-SSDOTTSWSA-N 0 0 298.755 3.581 10 5 CHBERN CS[C@H]1CCC[C@@H](Nc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000228722570 525906868 /nfs/dbraw/zinc/90/68/68/525906868.db2.gz SEHQAGSQQFAHSO-MNOVXSKESA-N 0 0 284.356 3.820 10 5 CHBERN O=[N+]([O-])c1c(F)cccc1Oc1cc(F)cc(F)c1 ZINC000054933008 527322213 /nfs/dbraw/zinc/32/22/13/527322213.db2.gz LHCBICVHTVFXTL-UHFFFAOYSA-N 0 0 269.178 3.804 10 5 CHBERN O=[N+]([O-])c1cc(Cl)ccc1COc1ccccc1O ZINC000050444254 527334628 /nfs/dbraw/zinc/33/46/28/527334628.db2.gz SFHMYKWWGYCNTJ-UHFFFAOYSA-N 0 0 279.679 3.533 10 5 CHBERN Nc1ccc([N+](=O)[O-])cc1CSc1ccc(F)cc1 ZINC000050834069 527504142 /nfs/dbraw/zinc/50/41/42/527504142.db2.gz WEDWLFGYTFAVCI-UHFFFAOYSA-N 0 0 278.308 3.608 10 5 CHBERN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000003043661 567157739 /nfs/dbraw/zinc/15/77/39/567157739.db2.gz FPSOIYFMCAFQIQ-UHFFFAOYSA-N 0 0 274.232 3.604 10 5 CHBERN O=[N+]([O-])c1cnc2ccc(OC(F)(F)F)cc2c1Cl ZINC000098061882 567907484 /nfs/dbraw/zinc/90/74/84/567907484.db2.gz WWEMXZNSECLSJV-UHFFFAOYSA-N 0 0 292.600 3.695 10 5 CHBERN O=[N+]([O-])c1ccc(N2CC[C@@H]3CCC[C@H]32)c2ccncc21 ZINC000408362042 1121154314 /nfs/dbraw/zinc/15/43/14/1121154314.db2.gz LFBMUHAOYCSCAA-SMDDNHRTSA-N 0 0 283.331 3.522 10 5 CHBERN CC/C=C(/C)C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000105763626 1123069988 /nfs/dbraw/zinc/06/99/88/1123069988.db2.gz FAIDMIKGLMFVJC-GULOHRGCSA-N 0 0 263.293 3.555 10 5 CHBERN C[C@H](Cc1ccccc1)[N@@+](C)([O-])Cc1ccccc1 ZINC000256169908 190005844 /nfs/dbraw/zinc/00/58/44/190005844.db2.gz LXPCOISGJFXEJE-QAPCUYQASA-N 0 0 255.361 3.762 10 5 CHBERN C[C@@H](Cc1ccccc1)[N@+](C)([O-])Cc1ccccc1 ZINC000256169905 190005865 /nfs/dbraw/zinc/00/58/65/190005865.db2.gz LXPCOISGJFXEJE-MAUKXSAKSA-N 0 0 255.361 3.762 10 5 CHBERN O=Cc1ccc(N2CCC[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000035152548 134788864 /nfs/dbraw/zinc/78/88/64/134788864.db2.gz PPUATFVIINDHRJ-KGLIPLIRSA-N 0 0 288.347 3.566 10 5 CHBERN CC[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000005476453 170103258 /nfs/dbraw/zinc/10/32/58/170103258.db2.gz WQJGFKHWOGWEDW-ZDUSSCGKSA-N 0 0 284.315 3.727 10 5 CHBERN O[C@@H]1c2ccc3ccc4cccc5cc(c2c3c45)[C@H]1O ZINC000006094862 170176024 /nfs/dbraw/zinc/17/60/24/170176024.db2.gz ZICJXVAIOSTCST-QZTJIDSGSA-N 0 0 260.292 3.664 10 5 CHBERN CCc1ccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000007134081 170268587 /nfs/dbraw/zinc/26/85/87/170268587.db2.gz JWGZIHMOIMLMTH-UHFFFAOYSA-N 0 0 288.278 3.549 10 5 CHBERN CCOC(=O)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1 ZINC000007983582 170311763 /nfs/dbraw/zinc/31/17/63/170311763.db2.gz YLZVBWCQJUATGP-UHFFFAOYSA-N 0 0 287.271 3.564 10 5 CHBERN Cc1cccc(Oc2ccc([N+](=O)[O-])cc2C=O)c1 ZINC000020368566 171167234 /nfs/dbraw/zinc/16/72/34/171167234.db2.gz RYMNBSVHWCOWEG-UHFFFAOYSA-N 0 0 257.245 3.508 10 5 CHBERN COc1ccc(N[C@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000021039549 171293315 /nfs/dbraw/zinc/29/33/15/171293315.db2.gz BIYOWOKKVPAKFV-MDZLAQPJSA-N 0 0 278.352 3.840 10 5 CHBERN COc1ccc(N[C@@H](C)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000034979221 171912062 /nfs/dbraw/zinc/91/20/62/171912062.db2.gz MRRXGWFTMLNZHP-JTQLQIEISA-N 0 0 290.294 3.916 10 5 CHBERN C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000035135078 172002246 /nfs/dbraw/zinc/00/22/46/172002246.db2.gz HGZOSIRLNJQKEU-SSDOTTSWSA-N 0 0 285.141 3.568 10 5 CHBERN Cc1c(NCCCc2ccccc2)cccc1[N+](=O)[O-] ZINC000035224173 172068989 /nfs/dbraw/zinc/06/89/89/172068989.db2.gz LYMVDGPGZUUQPU-UHFFFAOYSA-N 0 0 270.332 3.948 10 5 CHBERN N[C@@H](c1ccc([N+](=O)[O-])o1)c1cc(Cl)sc1Cl ZINC000035382443 172165266 /nfs/dbraw/zinc/16/52/66/172165266.db2.gz YVRYOSGQRAWFEE-MRVPVSSYSA-N 0 0 293.131 3.604 10 5 CHBERN Cc1cccc(Oc2ccc([C@@H](C)O)cc2[N+](=O)[O-])c1 ZINC000035632262 172314751 /nfs/dbraw/zinc/31/47/51/172314751.db2.gz KEQPEHCQNMTQHS-LLVKDONJSA-N 0 0 273.288 3.749 10 5 CHBERN C[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccco1 ZINC000035739499 172394280 /nfs/dbraw/zinc/39/42/80/172394280.db2.gz OGOFXOSWMLOJRP-SNVBAGLBSA-N 0 0 283.287 3.909 10 5 CHBERN CCOc1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000037331649 173132796 /nfs/dbraw/zinc/13/27/96/173132796.db2.gz ADFMRBBIGRMCHI-UHFFFAOYSA-N 0 0 293.710 3.786 10 5 CHBERN Cc1ccc([C@@H](C)Nc2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000038097849 174111958 /nfs/dbraw/zinc/11/19/58/174111958.db2.gz RREJJKLEWJCIMJ-SECBINFHSA-N 0 0 264.256 3.808 10 5 CHBERN Cc1ccc([C@@H](C)Nc2ncccc2[N+](=O)[O-])cc1F ZINC000088521328 260233280 /nfs/dbraw/zinc/23/32/80/260233280.db2.gz LKMDXSXVTVGWAJ-SNVBAGLBSA-N 0 0 275.283 3.610 10 5 CHBERN C[C@@H](COCc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000390707537 262243016 /nfs/dbraw/zinc/24/30/16/262243016.db2.gz SFVCJKGNIQVQCP-ZDUSSCGKSA-N 0 0 286.331 3.612 10 5 CHBERN CCS[C@H]1CCC[C@@H]1Nc1cc(F)ccc1[N+](=O)[O-] ZINC000228723028 262340445 /nfs/dbraw/zinc/34/04/45/262340445.db2.gz VULRELIAWTTWLU-GWCFXTLKSA-N 0 0 284.356 3.820 10 5 CHBERN O=[N+]([O-])c1c(F)cccc1N[C@H]1CCc2ccccc21 ZINC000048962282 263819167 /nfs/dbraw/zinc/81/91/67/263819167.db2.gz RMBPYHQHMFILAJ-ZDUSSCGKSA-N 0 0 272.279 3.833 10 5 CHBERN CC(C)(C)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000090367463 264397614 /nfs/dbraw/zinc/39/76/14/264397614.db2.gz DGUJZQPCZRVPHY-UHFFFAOYSA-N 0 0 262.231 3.824 10 5 CHBERN O=[N+]([O-])c1cc(CN2CCC[C@@H]2c2ccco2)cs1 ZINC000116289212 267136858 /nfs/dbraw/zinc/13/68/58/267136858.db2.gz BPFHBNPEZBHWPY-LLVKDONJSA-N 0 0 278.333 3.586 10 5 CHBERN Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])nc2)cc1F ZINC000088521412 330488071 /nfs/dbraw/zinc/48/80/71/330488071.db2.gz ZTVHLZDTOQVNBM-SNVBAGLBSA-N 0 0 275.283 3.610 10 5 CHBERN Cc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)o1 ZINC000227648334 333287138 /nfs/dbraw/zinc/28/71/38/333287138.db2.gz PZLITXSUCIUUEV-QMMMGPOBSA-N 0 0 281.699 3.718 10 5 CHBERN COc1cc(N[C@H](C)C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000227858419 333289350 /nfs/dbraw/zinc/28/93/50/333289350.db2.gz OKLIWURPNPFVGN-SECBINFHSA-N 0 0 282.315 3.733 10 5 CHBERN CCS[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000230922095 333322696 /nfs/dbraw/zinc/32/26/96/333322696.db2.gz CIHBKEOVYHPTSE-QWHCGFSZSA-N 0 0 280.393 3.989 10 5 CHBERN C[C@@H]1C[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000543851614 333903111 /nfs/dbraw/zinc/90/31/11/333903111.db2.gz MKLWNMYYKJOYOC-JGPRNRPPSA-N 0 0 298.770 3.864 10 5 CHBERN C[C@H](Cc1ccsc1)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000052120318 524764477 /nfs/dbraw/zinc/76/44/77/524764477.db2.gz FUUHYUPZSVOVBG-SECBINFHSA-N 0 0 280.324 3.839 10 5 CHBERN Cc1ccc(Nc2ccc([N+](=O)[O-])cc2N)cc1C ZINC000052840387 525322531 /nfs/dbraw/zinc/32/25/31/525322531.db2.gz PMRCDDCMFPRQBW-UHFFFAOYSA-N 0 0 257.293 3.537 10 5 CHBERN C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000121679770 525640957 /nfs/dbraw/zinc/64/09/57/525640957.db2.gz DVWYBNXFNCQLRY-ZETCQYMHSA-N 0 0 268.219 3.639 10 5 CHBERN C[C@@H](Nc1cc(F)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000061364691 525699380 /nfs/dbraw/zinc/69/93/80/525699380.db2.gz BAVIVXHKQVIATF-MRVPVSSYSA-N 0 0 266.297 3.969 10 5 CHBERN CSc1cccc(Nc2ncnc(Cl)c2[N+](=O)[O-])c1 ZINC000050454745 526140995 /nfs/dbraw/zinc/14/09/95/526140995.db2.gz KHKVIOVWSXDFLB-UHFFFAOYSA-N 0 0 296.739 3.504 10 5 CHBERN O=c1ccc2c3ccc4cccc5ccc(cc2c1=O)c3c54 ZINC000006094768 560205204 /nfs/dbraw/zinc/20/52/04/560205204.db2.gz CRYMJHJFLJAFNU-UHFFFAOYSA-N 0 0 282.298 3.895 10 5 in-vitro CHBERN CNc1ncc(-c2cccc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000584880762 567859975 /nfs/dbraw/zinc/85/99/75/567859975.db2.gz IJWNFSUOCNHUKV-UHFFFAOYSA-N 0 0 297.236 3.717 10 5 CHBERN O=[N+]([O-])c1cnc2c(Cl)cc(F)cc2c1Cl ZINC000165869858 567882552 /nfs/dbraw/zinc/88/25/52/567882552.db2.gz OHTSVSASTZSGRG-UHFFFAOYSA-N 0 0 261.039 3.589 10 5 CHBERN CC(C)c1ccc2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000098061881 567907350 /nfs/dbraw/zinc/90/73/50/567907350.db2.gz HQCGVFYZDIVFKC-UHFFFAOYSA-N 0 0 250.685 3.920 10 5 CHBERN CCOc1ccc(-c2cc([N+](=O)[O-])ccc2F)cc1 ZINC000725263691 567923078 /nfs/dbraw/zinc/92/30/78/567923078.db2.gz AIYXTHNUHIVEAK-UHFFFAOYSA-N 0 0 261.252 3.800 10 5 CHBERN CC[C@@H](C)CN(C)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588438587 1118749059 /nfs/dbraw/zinc/74/90/59/1118749059.db2.gz YREALNJSNRQQRC-YGYTWAPGSA-N 0 0 290.363 3.503 10 5 CHBERN Cc1ccc(C(=O)N2CCCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000408300571 1119333623 /nfs/dbraw/zinc/33/36/23/1119333623.db2.gz IOPITPTXIZJFRF-UHFFFAOYSA-N 0 0 290.363 3.556 10 5 CHBERN Cc1cc(-c2nc3ccc(O)cc3s2)ccc1[N+](=O)[O-] ZINC000090714514 180028881 /nfs/dbraw/zinc/02/88/81/180028881.db2.gz RUOCIAHNZILGLP-UHFFFAOYSA-N 0 0 286.312 3.886 10 5 CHBERN C[C@@H](Nc1nc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000035736997 184537588 /nfs/dbraw/zinc/53/75/88/184537588.db2.gz NNYQZJPVBWPRFU-SSDOTTSWSA-N 0 0 283.740 3.878 10 5 CHBERN COc1ccc(Sc2ccccc2[N+](=O)[O-])cc1OC ZINC000301361420 533087702 /nfs/dbraw/zinc/08/77/02/533087702.db2.gz OVEUDDOPIPLISW-UHFFFAOYSA-N 0 0 291.328 3.763 10 5 CHBERN CC(=O)Nc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000005291433 170083951 /nfs/dbraw/zinc/08/39/51/170083951.db2.gz DLGBJVCWDXYHMM-UHFFFAOYSA-N 0 0 283.498 3.513 10 5 CHBERN Cc1cccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000005364326 170089683 /nfs/dbraw/zinc/08/96/83/170089683.db2.gz PWCBBZKKERKCAA-UHFFFAOYSA-N 0 0 290.706 3.809 10 5 CHBERN O=C(COc1cccc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000006060933 170173123 /nfs/dbraw/zinc/17/31/23/170173123.db2.gz LNABJCJNBMAMIB-UHFFFAOYSA-N 0 0 291.690 3.510 10 5 CHBERN O[C@@H]1c2ccc3ccc4cccc5cc(c2c3c45)[C@@H]1O ZINC000006094854 170175856 /nfs/dbraw/zinc/17/58/56/170175856.db2.gz ZICJXVAIOSTCST-MSOLQXFVSA-N 0 0 260.292 3.664 10 5 CHBERN O=c1[nH]c(C(F)(F)F)nc2ccc3ccccc3c21 ZINC000006147404 170179501 /nfs/dbraw/zinc/17/95/01/170179501.db2.gz AAQWEFPVYMMSCH-UHFFFAOYSA-N 0 0 264.206 3.507 10 5 CHBERN COc1ccccc1[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000006250301 170185171 /nfs/dbraw/zinc/18/51/71/170185171.db2.gz SJOPXVHYEIPKAC-NSHDSACASA-N 0 0 272.304 3.777 10 5 CHBERN O=[N+]([O-])c1cccc(NCc2ccc3ccccc3n2)c1 ZINC000007339849 170278026 /nfs/dbraw/zinc/27/80/26/170278026.db2.gz OQILONKQONYSTO-UHFFFAOYSA-N 0 0 279.299 3.755 10 5 CHBERN CCOc1ccc(Oc2ccc([N+](=O)[O-])cc2C=O)cc1 ZINC000020368578 171166767 /nfs/dbraw/zinc/16/67/67/171166767.db2.gz NLDWBLDVKZEWET-UHFFFAOYSA-N 0 0 287.271 3.598 10 5 CHBERN C[C@H](Nc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000020526037 171238860 /nfs/dbraw/zinc/23/88/60/171238860.db2.gz STBPQNLVVPZGHH-JTQLQIEISA-N 0 0 260.268 3.907 10 5 CHBERN Cc1ccc(O[C@@H](C)C(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000022051021 171350576 /nfs/dbraw/zinc/35/05/76/171350576.db2.gz IBQHZFYMBYLTSE-LBPRGKRZSA-N 0 0 285.299 3.553 10 5 CHBERN CC[C@H](C)Nc1cc2nc(C)sc2cc1[N+](=O)[O-] ZINC000035060337 171962003 /nfs/dbraw/zinc/96/20/03/171962003.db2.gz QRZKCZORPMKAKU-ZETCQYMHSA-N 0 0 265.338 3.723 10 5 CHBERN CC(C)[C@@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000035186026 172040427 /nfs/dbraw/zinc/04/04/27/172040427.db2.gz LAJJIQOQQQMWEJ-SNVBAGLBSA-N 0 0 259.309 3.599 10 5 CHBERN COc1ccc(CNc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000035223837 172068308 /nfs/dbraw/zinc/06/83/08/172068308.db2.gz YZIZULUEUVUPAG-UHFFFAOYSA-N 0 0 272.304 3.524 10 5 CHBERN COc1cc([N+](=O)[O-])ccc1NCc1ccc(Cl)s1 ZINC000035224068 172068825 /nfs/dbraw/zinc/06/88/25/172068825.db2.gz XDSDXMVJGUYRMG-UHFFFAOYSA-N 0 0 298.751 3.930 10 5 CHBERN CCCCCC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000037222442 173043157 /nfs/dbraw/zinc/04/31/57/173043157.db2.gz IOHCVKDRVJSZHW-UHFFFAOYSA-N 0 0 260.293 3.839 10 5 CHBERN Cc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1C ZINC000037299667 173104548 /nfs/dbraw/zinc/10/45/48/173104548.db2.gz WFNQFPFLKNBEIH-UHFFFAOYSA-N 0 0 256.305 3.824 10 5 CHBERN CO[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037299413 173104623 /nfs/dbraw/zinc/10/46/23/173104623.db2.gz WSQIWCQHTCILAE-WCQYABFASA-N 0 0 284.743 3.618 10 5 CHBERN CCC(C)(C)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000037404264 173180214 /nfs/dbraw/zinc/18/02/14/173180214.db2.gz WEZNAGFPTRNQJO-UHFFFAOYSA-N 0 0 257.717 3.953 10 5 CHBERN CCCc1cc(Cl)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000037409161 173185864 /nfs/dbraw/zinc/18/58/64/173185864.db2.gz TYQCKOQUSSPPKJ-UHFFFAOYSA-N 0 0 277.711 3.658 10 5 CHBERN Cc1cccc(Oc2nc(Cl)ccc2[N+](=O)[O-])c1 ZINC000038082285 174091060 /nfs/dbraw/zinc/09/10/60/174091060.db2.gz XGYRTTYMUCPBNL-UHFFFAOYSA-N 0 0 264.668 3.744 10 5 CHBERN O=C(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)s1 ZINC000039002432 174161318 /nfs/dbraw/zinc/16/13/18/174161318.db2.gz TULRQZJPXOWCJW-UHFFFAOYSA-N 0 0 281.720 3.735 10 5 CHBERN CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000043473022 175053965 /nfs/dbraw/zinc/05/39/65/175053965.db2.gz PZIJNPVYTXYFBK-UHFFFAOYSA-N 0 0 275.235 3.729 10 5 CHBERN O=Cc1cccc(-c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000067794380 175792032 /nfs/dbraw/zinc/79/20/32/175792032.db2.gz QMSREJGOWBGAFQ-UHFFFAOYSA-N 0 0 261.664 3.728 10 5 CHBERN O=[N+]([O-])c1ccc(-n2nccc2-c2ccsc2)cc1 ZINC000072190489 176335936 /nfs/dbraw/zinc/33/59/36/176335936.db2.gz VCXHRQIZKSIXLU-UHFFFAOYSA-N 0 0 271.301 3.509 10 5 CHBERN CN(C)/C=C/c1ccc(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000095496235 327202662 /nfs/dbraw/zinc/20/26/62/327202662.db2.gz FLFADSKSKWODTK-ZHACJKMWSA-N 0 0 298.342 3.706 10 5 CHBERN CC(C)c1nc(CNc2ccccc2[N+](=O)[O-])cs1 ZINC000301153464 328827054 /nfs/dbraw/zinc/82/70/54/328827054.db2.gz BQFJUTAYTYNCTL-UHFFFAOYSA-N 0 0 277.349 3.787 10 5 CHBERN Cc1cccc2c1OCC[C@@H]2NCc1ccccc1[N+](=O)[O-] ZINC000188950811 329376078 /nfs/dbraw/zinc/37/60/78/329376078.db2.gz FWMHENYBLGLPCK-HNNXBMFYSA-N 0 0 298.342 3.517 10 5 CHBERN CCS[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000078587555 330326906 /nfs/dbraw/zinc/32/69/06/330326906.db2.gz KTVAZUAYJWROKP-YPMHNXCESA-N 0 0 266.366 3.681 10 5 CHBERN COc1cc(N[C@H](C)c2ccco2)c(F)cc1[N+](=O)[O-] ZINC000218839326 333136938 /nfs/dbraw/zinc/13/69/38/333136938.db2.gz SZVBWAUXYDUYRM-MRVPVSSYSA-N 0 0 280.255 3.509 10 5 CHBERN CCS[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000223249159 521732776 /nfs/dbraw/zinc/73/27/76/521732776.db2.gz XDWQGUJVOOYAHV-YPMHNXCESA-N 0 0 280.393 3.989 10 5 CHBERN COC[C@H](Nc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000234754371 522770328 /nfs/dbraw/zinc/77/03/28/522770328.db2.gz MJLJULZRGJMBIQ-AWEZNQCLSA-N 0 0 290.294 3.534 10 5 CHBERN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1N)c1cccs1 ZINC000052841039 522959907 /nfs/dbraw/zinc/95/99/07/522959907.db2.gz SSBUGDURMZZKQL-LLVKDONJSA-N 0 0 277.349 3.802 10 5 CHBERN Cc1cc(NCc2c(F)cccc2F)ccc1[N+](=O)[O-] ZINC000043569959 525277538 /nfs/dbraw/zinc/27/75/38/525277538.db2.gz WBFXIPQVFFORQO-UHFFFAOYSA-N 0 0 278.258 3.794 10 5 CHBERN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2N)cc1 ZINC000052841826 525671990 /nfs/dbraw/zinc/67/19/90/525671990.db2.gz SPIBPXODZNMPGR-UHFFFAOYSA-N 0 0 260.318 3.637 10 5 CHBERN Cc1ccc([C@@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)o1 ZINC000227887634 525749342 /nfs/dbraw/zinc/74/93/42/525749342.db2.gz FQFOEDGWMNEXJY-MRVPVSSYSA-N 0 0 282.246 3.948 10 5 CHBERN Nc1ccc(CSc2cccs2)cc1[N+](=O)[O-] ZINC000050833651 527483320 /nfs/dbraw/zinc/48/33/20/527483320.db2.gz BSFVJYFBXSZHIH-UHFFFAOYSA-N 0 0 266.347 3.531 10 5 CHBERN O=c1[nH]c2c3cc4c(nc3sc2c2ccccc12)CCC4 ZINC000000293617 567824389 /nfs/dbraw/zinc/82/43/89/567824389.db2.gz TXGIWBVHXVQMPT-UHFFFAOYSA-N 0 0 292.363 3.780 10 5 CHBERN CCCc1ccc2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000098061847 567907500 /nfs/dbraw/zinc/90/75/00/567907500.db2.gz PUOHETSBXRAMOW-UHFFFAOYSA-N 0 0 250.685 3.749 10 5 CHBERN C/C=C(/CC)C(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000588570089 1119320629 /nfs/dbraw/zinc/32/06/29/1119320629.db2.gz NZNWYFVQMRPIPK-BJIOATRMSA-N 0 0 263.293 3.555 10 5 CHBERN CN(Cc1ccc(F)cc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103465077 1120253219 /nfs/dbraw/zinc/25/32/19/1120253219.db2.gz KXAKLQWKBPIMDD-UHFFFAOYSA-N 0 0 292.285 3.505 10 5 CHBERN CC(C)(C)c1cc([N+](=O)[O-])c(N)c(C(C)(C)C)c1 ZINC000005383781 170092988 /nfs/dbraw/zinc/09/29/88/170092988.db2.gz WPEOUBMAPMUQOE-UHFFFAOYSA-N 0 0 250.342 3.772 10 5 CHBERN Cc1ccc(NC(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])c1 ZINC000005542873 170111121 /nfs/dbraw/zinc/11/11/21/170111121.db2.gz IYVGILQNJSKQGT-UHFFFAOYSA-N 0 0 284.315 3.772 10 5 CHBERN CC(C)(C)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccn1 ZINC000006882972 170253026 /nfs/dbraw/zinc/25/30/26/170253026.db2.gz JHHQEDOFXOTZTA-UHFFFAOYSA-N 0 0 299.330 3.540 10 5 CHBERN CC(=O)c1ccc(Oc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000008080419 170318261 /nfs/dbraw/zinc/31/82/61/170318261.db2.gz ZVXAAKOYUOBTIO-UHFFFAOYSA-N 0 0 271.272 3.898 10 5 CHBERN O=c1ccn2c3ccccc3sc3cccc1c32 ZINC000032105337 171697565 /nfs/dbraw/zinc/69/75/65/171697565.db2.gz CVENXTVQBUJODC-UHFFFAOYSA-N 0 0 251.310 3.667 10 5 CHBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000034979212 171912020 /nfs/dbraw/zinc/91/20/20/171912020.db2.gz OVBCFAUQHRUKAF-SNVBAGLBSA-N 0 0 260.268 3.907 10 5 CHBERN Cc1ccc(NCc2ccccc2F)cc1[N+](=O)[O-] ZINC000035222764 172066307 /nfs/dbraw/zinc/06/63/07/172066307.db2.gz ZDJNOXBLONMQQN-UHFFFAOYSA-N 0 0 260.268 3.654 10 5 CHBERN O=[N+]([O-])c1cc(NCC2CCCCC2)ccc1F ZINC000035224028 172068301 /nfs/dbraw/zinc/06/83/01/172068301.db2.gz WVRPLHJXANCNSP-UHFFFAOYSA-N 0 0 252.289 3.726 10 5 CHBERN COc1cc([N+](=O)[O-])ccc1N[C@H](C)c1ccc(F)cc1 ZINC000035224082 172068673 /nfs/dbraw/zinc/06/86/73/172068673.db2.gz ZAZUVRWTZRXBQN-SNVBAGLBSA-N 0 0 290.294 3.916 10 5 CHBERN CCN(c1ccccc1)c1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035631378 172313805 /nfs/dbraw/zinc/31/38/05/172313805.db2.gz LDWXVCQUGPNUCN-GFCCVEGCSA-N 0 0 286.331 3.806 10 5 CHBERN CCCc1ccccc1NCc1ccc([N+](=O)[O-])o1 ZINC000037282265 173089679 /nfs/dbraw/zinc/08/96/79/173089679.db2.gz NHSYDRXCQIKWIQ-UHFFFAOYSA-N 0 0 260.293 3.752 10 5 CHBERN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]3CC=C[C@H]23)c(Cl)c1 ZINC000037281700 173089982 /nfs/dbraw/zinc/08/99/82/173089982.db2.gz OMDPIDFNHMXFKF-GMOODISLSA-N 0 0 264.712 3.625 10 5 CHBERN Cc1cc([N+](=O)[O-])ccc1NCCc1ccccc1 ZINC000037370886 173159879 /nfs/dbraw/zinc/15/98/79/173159879.db2.gz HKCPWHYUXMDVRL-UHFFFAOYSA-N 0 0 256.305 3.558 10 5 CHBERN Cc1cc([N+](=O)[O-])ccc1Sc1ccc(O)cc1 ZINC000038079232 174089189 /nfs/dbraw/zinc/08/91/89/174089189.db2.gz JVQBFZKQHNJHSB-UHFFFAOYSA-N 0 0 261.302 3.760 10 5 CHBERN Cc1cccc(CNc2ccccc2[N+](=O)[O-])c1C ZINC000043313940 175004150 /nfs/dbraw/zinc/00/41/50/175004150.db2.gz OIJWVAIKJMHUQP-UHFFFAOYSA-N 0 0 256.305 3.824 10 5 CHBERN CC[C@@H]1CCC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000043653534 175085336 /nfs/dbraw/zinc/08/53/36/175085336.db2.gz AUSLTTVLIOEMER-YPMHNXCESA-N 0 0 261.321 3.533 10 5 CHBERN CC[C@@H](Nc1ccc(C(C)=O)cn1)c1cccc([N+](=O)[O-])c1 ZINC000181208032 261889304 /nfs/dbraw/zinc/88/93/04/261889304.db2.gz MQTQVYGYALIPBH-OAHLLOKOSA-N 0 0 299.330 3.756 10 5 CHBERN CCC1CCC(Nc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000111048206 328324340 /nfs/dbraw/zinc/32/43/40/328324340.db2.gz QEKDESVFSTWAPL-UHFFFAOYSA-N 0 0 278.352 3.984 10 5 CHBERN CC[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(C)C ZINC000049146463 328349367 /nfs/dbraw/zinc/34/93/67/328349367.db2.gz UMTFPCDZPJSGJB-ZDUSSCGKSA-N 0 0 273.336 3.990 10 5 CHBERN C[C@@H]([NH2+]CC1=CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000379591650 330137772 /nfs/dbraw/zinc/13/77/72/330137772.db2.gz XQYOPJFFTYXNPV-GFCCVEGCSA-N 0 0 260.337 3.746 10 5 CHBERN Cc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)o1 ZINC000227648329 333287286 /nfs/dbraw/zinc/28/72/86/333287286.db2.gz PZLITXSUCIUUEV-MRVPVSSYSA-N 0 0 281.699 3.718 10 5 CHBERN C/C=C/CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000134665997 334099808 /nfs/dbraw/zinc/09/98/08/334099808.db2.gz BYBJTQYECHGEOC-NSCUHMNNSA-N 0 0 257.293 3.521 10 5 CHBERN CCNc1ccc(CSC(C)C)cc1[N+](=O)[O-] ZINC000050839107 520304844 /nfs/dbraw/zinc/30/48/44/520304844.db2.gz RBZNCNWWFQOCEL-UHFFFAOYSA-N 0 0 254.355 3.668 10 5 CHBERN Cc1cc(N[C@H]2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000042247820 525305883 /nfs/dbraw/zinc/30/58/83/525305883.db2.gz RKJZJEMEKRALTP-AWEZNQCLSA-N 0 0 284.315 3.839 10 5 CHBERN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2N)c(C)c1 ZINC000052841830 525671976 /nfs/dbraw/zinc/67/19/76/525671976.db2.gz FHVMGPLLCNGHIE-UHFFFAOYSA-N 0 0 274.345 3.945 10 5 CHBERN C[C@@H](c1cccs1)N(C)c1cccc(F)c1[N+](=O)[O-] ZINC000054269585 526146611 /nfs/dbraw/zinc/14/66/11/526146611.db2.gz BWUSYCDJEHZUFG-VIFPVBQESA-N 0 0 280.324 3.993 10 5 CHBERN O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2nccs2)cc1 ZINC000271633721 527361138 /nfs/dbraw/zinc/36/11/38/527361138.db2.gz OHLYPVUTQMNWBG-ZDUSSCGKSA-N 0 0 289.360 3.783 10 5 CHBERN O=Cc1ccc(-c2cccc3occc32)c([N+](=O)[O-])c1 ZINC000725263298 567922874 /nfs/dbraw/zinc/92/28/74/567922874.db2.gz GUFWEDWBFFAKHA-UHFFFAOYSA-N 0 0 267.240 3.821 10 5 CHBERN CCn1cc(C(F)F)c(-c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000725270801 567924566 /nfs/dbraw/zinc/92/45/66/567924566.db2.gz UCLGLQQQAHPBRN-UHFFFAOYSA-N 0 0 281.262 3.724 10 5 CHBERN C[N+](C)([O-])CCCN1c2ccccc2CCc2ccccc21 ZINC000197772818 717158894 /nfs/dbraw/zinc/15/88/94/717158894.db2.gz ZWWMORYUMARKSF-UHFFFAOYSA-N 0 0 297.422 3.779 10 5 CHBERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccsc1 ZINC000588438717 1118749900 /nfs/dbraw/zinc/74/99/00/1118749900.db2.gz AGLOKGIMGTWNPC-NTMALXAHSA-N 0 0 288.328 3.698 10 5 CHBERN O=[N+]([O-])c1ccc(-c2nnc(/C=C/c3ccccc3)o2)cc1 ZINC000005515262 170106892 /nfs/dbraw/zinc/10/68/92/170106892.db2.gz VBPHKHPQNYGFMG-IZZDOVSWSA-N 0 0 293.282 3.815 10 5 CHBERN Cc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1C ZINC000005558689 170113098 /nfs/dbraw/zinc/11/30/98/170113098.db2.gz NCEZARWVAIEBAD-CSKARUKUSA-N 0 0 296.326 3.864 10 5 CHBERN O=[N+]([O-])c1c2nonc2ccc1Nc1cccc(Cl)c1 ZINC000006526425 170210522 /nfs/dbraw/zinc/21/05/22/170210522.db2.gz FUUWQJVNALIXDT-UHFFFAOYSA-N 0 0 290.666 3.528 10 5 CHBERN Cc1cccc(NC(=O)c2ccc(F)c([N+](=O)[O-])c2)c1C ZINC000007126503 170268235 /nfs/dbraw/zinc/26/82/35/170268235.db2.gz VEUDSNJMJWDLNE-UHFFFAOYSA-N 0 0 288.278 3.603 10 5 CHBERN O=Cc1ccccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000020079253 170985318 /nfs/dbraw/zinc/98/53/18/170985318.db2.gz OMGDRCFWOXCCDL-UHFFFAOYSA-N 0 0 277.663 3.853 10 5 CHBERN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000020536059 171241097 /nfs/dbraw/zinc/24/10/97/171241097.db2.gz YYRGUICKSPXDKN-SECBINFHSA-N 0 0 291.332 3.539 10 5 CHBERN Cc1cc(O[C@@H](C)C(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000021589349 171317090 /nfs/dbraw/zinc/31/70/90/171317090.db2.gz VYASIGLYLWJWRO-LBPRGKRZSA-N 0 0 285.299 3.553 10 5 CHBERN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000022806598 171399919 /nfs/dbraw/zinc/39/99/19/171399919.db2.gz MICJMXGSCNBUEJ-SECBINFHSA-N 0 0 277.711 3.816 10 5 CHBERN O=Cc1ccc(Sc2cccs2)c([N+](=O)[O-])c1 ZINC000022864922 171401250 /nfs/dbraw/zinc/40/12/50/171401250.db2.gz QSJKWDDXOMVRSC-UHFFFAOYSA-N 0 0 265.315 3.620 10 5 CHBERN Clc1cccc2[nH]c3nc4ccccc4nc3c21 ZINC000026463376 171485381 /nfs/dbraw/zinc/48/53/81/171485381.db2.gz QWTHKWSJVXWHGQ-UHFFFAOYSA-N 0 0 253.692 3.918 10 5 CHBERN COc1cc([N+](=O)[O-])ccc1NCCCc1ccccc1 ZINC000035224084 172068936 /nfs/dbraw/zinc/06/89/36/172068936.db2.gz OIHREHHUTQELMN-UHFFFAOYSA-N 0 0 286.331 3.648 10 5 CHBERN Cc1ncsc1[C@@H](C)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000037298715 173102775 /nfs/dbraw/zinc/10/27/75/173102775.db2.gz YEXRQNMBXXLDBS-SNVBAGLBSA-N 0 0 277.349 3.841 10 5 CHBERN Cc1cccc(CNc2ccc([N+](=O)[O-])cc2)c1C ZINC000043313951 175003860 /nfs/dbraw/zinc/00/38/60/175003860.db2.gz FIEHJLKEQOKFGB-UHFFFAOYSA-N 0 0 256.305 3.824 10 5 CHBERN Cc1ccc(NC[C@H](C)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000301796569 227682476 /nfs/dbraw/zinc/68/24/76/227682476.db2.gz AJDCTQPFQVHFKE-ZDUSSCGKSA-N 0 0 285.347 3.816 10 5 CHBERN O=[N+]([O-])c1ccc(N2CCC[C@@H]2COc2ccccc2)cc1 ZINC000302003087 227754256 /nfs/dbraw/zinc/75/42/56/227754256.db2.gz XYQKNVAOJPGHOZ-MRXNPFEDSA-N 0 0 298.342 3.643 10 5 CHBERN Cc1ccc2c(c1)[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H](C)C2 ZINC000192525344 227920592 /nfs/dbraw/zinc/92/05/92/227920592.db2.gz SCAPQVOFJBZKJA-TVQRCGJNSA-N 0 0 289.360 3.705 10 5 CHBERN O=[N+]([O-])c1cccc(F)c1N[C@H]1CCc2c1cccc2F ZINC000214722855 260044567 /nfs/dbraw/zinc/04/45/67/260044567.db2.gz ITAIMSFATVRWBD-ZDUSSCGKSA-N 0 0 290.269 3.972 10 5 CHBERN Cc1ccccc1[C@@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000070496136 260158163 /nfs/dbraw/zinc/15/81/63/260158163.db2.gz BVKRQRQEDQYPJE-GFCCVEGCSA-N 0 0 271.320 3.780 10 5 CHBERN Cc1ccc([C@H](C)Nc2ncccc2[N+](=O)[O-])cc1F ZINC000088521329 260233490 /nfs/dbraw/zinc/23/34/90/260233490.db2.gz LKMDXSXVTVGWAJ-JTQLQIEISA-N 0 0 275.283 3.610 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccccc2C)n1 ZINC000128911977 260379375 /nfs/dbraw/zinc/37/93/75/260379375.db2.gz AIOBKMNLIVWBSD-LBPRGKRZSA-N 0 0 271.320 3.780 10 5 CHBERN CC(C)[C@@H](C)CC(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000162197342 264311109 /nfs/dbraw/zinc/31/11/09/264311109.db2.gz LLOUFZPKKDOMHK-LBPRGKRZSA-N 0 0 290.363 3.556 10 5 CHBERN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)c1ccccc1C ZINC000091558545 327102515 /nfs/dbraw/zinc/10/25/15/327102515.db2.gz OLTHAGFVVJEISG-NSHDSACASA-N 0 0 288.351 3.601 10 5 CHBERN CCS[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000078587551 329967229 /nfs/dbraw/zinc/96/72/29/329967229.db2.gz KTVAZUAYJWROKP-DGCLKSJQSA-N 0 0 266.366 3.681 10 5 CHBERN C[C@H]1CC(CNc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000432174559 330594450 /nfs/dbraw/zinc/59/44/50/330594450.db2.gz DBRQRDFFTCYRKU-UWVGGRQHSA-N 0 0 298.770 3.864 10 5 CHBERN Cc1cnc([C@@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000231677346 333327802 /nfs/dbraw/zinc/32/78/02/333327802.db2.gz AGFOZAIYWOGTNE-MRVPVSSYSA-N 0 0 281.699 3.718 10 5 CHBERN Cc1cc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000542925277 333849941 /nfs/dbraw/zinc/84/99/41/333849941.db2.gz QTAXKXHQHOVUPC-CLLJXQQHSA-N 0 0 278.352 3.519 10 5 CHBERN C[C@@H]1CC(CNc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000543851615 333903294 /nfs/dbraw/zinc/90/32/94/333903294.db2.gz MKLWNMYYKJOYOC-NXEZZACHSA-N 0 0 298.770 3.864 10 5 CHBERN Cc1cccc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000549563992 334198174 /nfs/dbraw/zinc/19/81/74/334198174.db2.gz BUKFPRAGPMIHRP-CLLJXQQHSA-N 0 0 278.352 3.519 10 5 CHBERN CCCC[C@@H](C)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000050890626 521012190 /nfs/dbraw/zinc/01/21/90/521012190.db2.gz SNDXNAJSAJLUPR-MRVPVSSYSA-N 0 0 257.721 3.634 10 5 CHBERN CC[C@@H](C)SCc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050837543 522273691 /nfs/dbraw/zinc/27/36/91/522273691.db2.gz ITFWIRLAHKSSHT-SECBINFHSA-N 0 0 254.355 3.668 10 5 CHBERN CC[C@@H]1CCCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1N ZINC000052841673 523208365 /nfs/dbraw/zinc/20/83/65/523208365.db2.gz CLTKMTMWDBYZMA-MFKMUULPSA-N 0 0 264.325 3.525 10 5 CHBERN Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])cc2N)c1 ZINC000052841627 524183912 /nfs/dbraw/zinc/18/39/12/524183912.db2.gz GVNHETYTSSBQPE-UHFFFAOYSA-N 0 0 258.277 3.586 10 5 CHBERN COc1ccc(Nc2ccc([N+](=O)[O-])cc2N)cc1Cl ZINC000052840289 524714906 /nfs/dbraw/zinc/71/49/06/524714906.db2.gz ABDFFHIBYODGQY-UHFFFAOYSA-N 0 0 293.710 3.583 10 5 CHBERN Cc1ccc(N[C@@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 ZINC000037059758 525315482 /nfs/dbraw/zinc/31/54/82/525315482.db2.gz COEYGFFAPRDMPT-CYBMUJFWSA-N 0 0 284.315 3.839 10 5 CHBERN C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000121679923 525694507 /nfs/dbraw/zinc/69/45/07/525694507.db2.gz DVWYBNXFNCQLRY-SSDOTTSWSA-N 0 0 268.219 3.639 10 5 CHBERN Cc1ccc2nc3ccc(Br)cc3nc2c1 ZINC000072206776 526256792 /nfs/dbraw/zinc/25/67/92/526256792.db2.gz RHEIWXJEESDELV-UHFFFAOYSA-N 0 0 273.133 3.854 10 5 CHBERN Nc1cc([N+](=O)[O-])ccc1Nc1ccc(Cl)cc1 ZINC000052840351 527462102 /nfs/dbraw/zinc/46/21/02/527462102.db2.gz CFCYGQSODLHVSF-UHFFFAOYSA-N 0 0 263.684 3.574 10 5 CHBERN O=[N+]([O-])c1ccc(N[C@@H]2CCOc3ccccc32)cc1 ZINC000034980699 566842920 /nfs/dbraw/zinc/84/29/20/566842920.db2.gz YCMKUJOXPCPBBR-CQSZACIVSA-N 0 0 270.288 3.531 10 5 CHBERN O=[N+]([O-])c1cc2nc(Cl)ccc2cc1Br ZINC000060280076 567896951 /nfs/dbraw/zinc/89/69/51/567896951.db2.gz LAJBIZUXKCLTKS-UHFFFAOYSA-N 0 0 287.500 3.559 10 5 CHBERN O=[N+]([O-])c1cc(F)ccc1-c1ccc([C@@H]2CCO2)cc1 ZINC000725265158 567923196 /nfs/dbraw/zinc/92/31/96/567923196.db2.gz KKYYHQLMXLATIA-HNNXBMFYSA-N 0 0 273.263 3.862 10 5 CHBERN Cc1nc(-c2ccc(Br)c([N+](=O)[O-])c2)cs1 ZINC000002574799 169811875 /nfs/dbraw/zinc/81/18/75/169811875.db2.gz PGPNBUCEBYRVHZ-UHFFFAOYSA-N 0 0 299.149 3.789 10 5 CHBERN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000005546773 170111670 /nfs/dbraw/zinc/11/16/70/170111670.db2.gz KNDFJUXITVENFL-UHFFFAOYSA-N 0 0 284.315 3.772 10 5 CHBERN Cc1ccc(C(=O)[C@H](C)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000006061200 170173348 /nfs/dbraw/zinc/17/33/48/170173348.db2.gz LADYYXRXKSNGER-LBPRGKRZSA-N 0 0 285.299 3.553 10 5 CHBERN O=[N+]([O-])c1cccc(/C=C/c2cnnc3ccccc23)c1 ZINC000006117729 170177073 /nfs/dbraw/zinc/17/70/73/170177073.db2.gz ACOHLVVMLNSRSQ-CMDGGOBGSA-N 0 0 277.283 3.708 10 5 CHBERN O=[N+]([O-])c1ccc2scc(Br)c2c1 ZINC000015043122 170655163 /nfs/dbraw/zinc/65/51/63/170655163.db2.gz GGRNMFMKEKDBNE-UHFFFAOYSA-N 0 0 258.096 3.572 10 5 CHBERN C[C@H](Oc1ccc(C=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000020304833 171142002 /nfs/dbraw/zinc/14/20/02/171142002.db2.gz GLPZJLMPTXUGBO-NSHDSACASA-N 0 0 271.272 3.547 10 5 CHBERN O=[N+]([O-])c1cccc(OCc2ccc3ccccc3n2)c1 ZINC000022129898 171354535 /nfs/dbraw/zinc/35/45/35/171354535.db2.gz AXFHTRYNVKUIIH-UHFFFAOYSA-N 0 0 280.283 3.722 10 5 CHBERN O=[N+]([O-])c1ccccc1Cn1ccc2cc(F)ccc21 ZINC000034552674 171844359 /nfs/dbraw/zinc/84/43/59/171844359.db2.gz BOCHPFJSVRALIU-UHFFFAOYSA-N 0 0 270.263 3.737 10 5 CHBERN C[C@H](Nc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000035223773 172068230 /nfs/dbraw/zinc/06/82/30/172068230.db2.gz PHWUUCXXSLOBSV-JTQLQIEISA-N 0 0 287.275 3.676 10 5 CHBERN CC(C)c1ccccc1NCc1ccc([N+](=O)[O-])o1 ZINC000037198052 173024911 /nfs/dbraw/zinc/02/49/11/173024911.db2.gz JGMKVSKJBTXSLK-UHFFFAOYSA-N 0 0 260.293 3.923 10 5 CHBERN O=Cc1c(Cl)cccc1Oc1ccccc1[N+](=O)[O-] ZINC000038080608 174089823 /nfs/dbraw/zinc/08/98/23/174089823.db2.gz ZRNGNZHZZXWUSY-UHFFFAOYSA-N 0 0 277.663 3.853 10 5 CHBERN Cc1cc(Cl)ccc1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000040571163 174338644 /nfs/dbraw/zinc/33/86/44/174338644.db2.gz LBRNWDMRNWMYEA-UHFFFAOYSA-N 0 0 299.117 3.744 10 5 CHBERN O=[N+]([O-])c1ccc(NCc2cc3c(s2)CCC3)cc1 ZINC000040627793 174356875 /nfs/dbraw/zinc/35/68/75/174356875.db2.gz JPPWGWGYZIZUAV-UHFFFAOYSA-N 0 0 274.345 3.757 10 5 CHBERN CCOc1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000041640286 174590933 /nfs/dbraw/zinc/59/09/33/174590933.db2.gz RVDXVAPZWMRUJK-UHFFFAOYSA-N 0 0 290.294 3.745 10 5 CHBERN O=[N+]([O-])c1ccnc(Nc2ccc(F)c(Cl)c2)c1 ZINC000043567704 175067444 /nfs/dbraw/zinc/06/74/44/175067444.db2.gz BJVFTNSMCZXDPU-UHFFFAOYSA-N 0 0 267.647 3.526 10 5 CHBERN COc1cc([C@H](C)Nc2ccccc2[N+](=O)[O-])ccc1F ZINC000212973098 260322512 /nfs/dbraw/zinc/32/25/12/260322512.db2.gz IWRYQIRONOWUDC-JTQLQIEISA-N 0 0 290.294 3.916 10 5 CHBERN O=[N+]([O-])c1ccc(F)cc1N[C@H]1CCOc2ccccc21 ZINC000052120901 261062808 /nfs/dbraw/zinc/06/28/08/261062808.db2.gz NQDXFYLQGCDUMH-LBPRGKRZSA-N 0 0 288.278 3.670 10 5 CHBERN C[C@H](Nc1cc(F)ccc1[N+](=O)[O-])c1cccs1 ZINC000052119549 264067237 /nfs/dbraw/zinc/06/72/37/264067237.db2.gz DIBAUKHALGFRCT-QMMMGPOBSA-N 0 0 266.297 3.969 10 5 CHBERN CCS[C@H]1CC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000230922181 264565030 /nfs/dbraw/zinc/56/50/30/264565030.db2.gz LOBYHRVLDYQLFX-ZJUUUORDSA-N 0 0 284.356 3.820 10 5 CHBERN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]1c1ccco1 ZINC000172026375 329083295 /nfs/dbraw/zinc/08/32/95/329083295.db2.gz KJBREHNZBIEMRV-CQSZACIVSA-N 0 0 290.294 3.664 10 5 CHBERN O=[N+]([O-])c1ccc(-c2c(F)cccc2Br)cn1 ZINC000536956939 330383232 /nfs/dbraw/zinc/38/32/32/330383232.db2.gz BFUCAMXNOZIFHB-UHFFFAOYSA-N 0 0 297.083 3.558 10 5 CHBERN CCC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000231663877 333327123 /nfs/dbraw/zinc/32/71/23/333327123.db2.gz MFYHNQUMLFEZFQ-ZWNOBZJWSA-N 0 0 271.320 3.744 10 5 CHBERN Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000542017389 333806931 /nfs/dbraw/zinc/80/69/31/333806931.db2.gz RPPZWHZKYSWDJD-CLLJXQQHSA-N 0 0 278.352 3.519 10 5 CHBERN Cc1cccc([N+](=O)[O-])c1NCC1C[C@@H](C)O[C@H](C)C1 ZINC000542017395 333806937 /nfs/dbraw/zinc/80/69/37/333806937.db2.gz RPPZWHZKYSWDJD-VXGBXAGGSA-N 0 0 278.352 3.519 10 5 CHBERN Cc1cc([N+](=O)[O-])ccc1NCC1C[C@H](C)O[C@@H](C)C1 ZINC000542947901 333850801 /nfs/dbraw/zinc/85/08/01/333850801.db2.gz MTAKFZTWHBCPLS-RYUDHWBXSA-N 0 0 278.352 3.519 10 5 CHBERN CCS[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000223249212 521728034 /nfs/dbraw/zinc/72/80/34/521728034.db2.gz XDWQGUJVOOYAHV-WCQYABFASA-N 0 0 280.393 3.989 10 5 CHBERN CO[C@@H]1CCC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000227760024 523647187 /nfs/dbraw/zinc/64/71/87/523647187.db2.gz QGOSRHDJRYKVHK-WDEREUQCSA-N 0 0 284.743 3.618 10 5 CHBERN Cc1cccc(CNc2nc(Cl)ccc2[N+](=O)[O-])c1 ZINC000048266398 524442582 /nfs/dbraw/zinc/44/25/82/524442582.db2.gz HWEMFBAZJPZKSQ-UHFFFAOYSA-N 0 0 277.711 3.564 10 5 CHBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1N)C1CCCCC1 ZINC000052841551 525712537 /nfs/dbraw/zinc/71/25/37/525712537.db2.gz BJIBURBUOJCQFT-SNVBAGLBSA-N 0 0 263.341 3.558 10 5 CHBERN C[C@H]1CCC(=O)[C@@H](CCc2ccccc2[N+](=O)[O-])C1 ZINC000062726807 526236721 /nfs/dbraw/zinc/23/67/21/526236721.db2.gz DTDBPGNSYVLNCW-AAEUAGOBSA-N 0 0 261.321 3.533 10 5 CHBERN Nc1cc([N+](=O)[O-])cc2oc(-c3ccccc3)cc21 ZINC000012846447 567116419 /nfs/dbraw/zinc/11/64/19/567116419.db2.gz JXWAUXIYQPMAOR-UHFFFAOYSA-N 0 0 254.245 3.590 10 5 CHBERN O=[N+]([O-])c1cc2oc(-c3ccccc3)cc2c([N+](=O)[O-])c1 ZINC000012846586 567116523 /nfs/dbraw/zinc/11/65/23/567116523.db2.gz VAXLGVZTYXATBS-UHFFFAOYSA-N 0 0 284.227 3.916 10 5 CHBERN Cc1c(-c2c(F)cccc2Cl)cncc1[N+](=O)[O-] ZINC000725270515 567924672 /nfs/dbraw/zinc/92/46/72/567924672.db2.gz LEUAAEUFFTUGRU-UHFFFAOYSA-N 0 0 266.659 3.758 10 5 CHBERN Cc1ccccc1[C@@H](OCC[N+](C)(C)[O-])c1ccccc1 ZINC000616462046 717187687 /nfs/dbraw/zinc/18/76/87/717187687.db2.gz JATNXLXJRYHSJQ-SFHVURJKSA-N 0 0 286.395 3.567 10 5 CHBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CCC[C@H]32)c2ccncc21 ZINC000408362039 1121154238 /nfs/dbraw/zinc/15/42/38/1121154238.db2.gz LFBMUHAOYCSCAA-BXUZGUMPSA-N 0 0 283.331 3.522 10 5 CHBERN Cc1cc(N[C@H]2C[C@H]3CC[C@@H]2C3)c([N+](=O)[O-])cc1C ZINC000103992353 185877585 /nfs/dbraw/zinc/87/75/85/185877585.db2.gz RQEWXNKCFWVWDF-XQQFMLRXSA-N 0 0 260.337 3.812 10 5 CHBERN Cc1cn2c(N=O)c(-c3ccccc3[N+](=O)[O-])nc2s1 ZINC000005116341 170067731 /nfs/dbraw/zinc/06/77/31/170067731.db2.gz DIIIEPOFMNILHY-UHFFFAOYSA-N 0 0 288.288 3.677 10 5 CHBERN CCN(C(=O)c1cccc(C)c1[N+](=O)[O-])c1ccccc1C ZINC000006311661 170190276 /nfs/dbraw/zinc/19/02/76/170190276.db2.gz NDJORFSEUNBZNC-UHFFFAOYSA-N 0 0 298.342 3.878 10 5 CHBERN C[C@@H](Nc1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000020526036 171239133 /nfs/dbraw/zinc/23/91/33/171239133.db2.gz STBPQNLVVPZGHH-SNVBAGLBSA-N 0 0 260.268 3.907 10 5 CHBERN Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000020669713 171269335 /nfs/dbraw/zinc/26/93/35/171269335.db2.gz ZOJFKGITMLUVOC-SECBINFHSA-N 0 0 291.263 3.578 10 5 CHBERN Cc1cc(O[C@H](C)C(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000021589346 171317196 /nfs/dbraw/zinc/31/71/96/171317196.db2.gz VYASIGLYLWJWRO-GFCCVEGCSA-N 0 0 285.299 3.553 10 5 CHBERN O=[N+]([O-])c1ccc(-c2nnc(Nc3ccccc3)s2)cc1 ZINC000028639195 171567646 /nfs/dbraw/zinc/56/76/46/171567646.db2.gz PXBNXRQKHUQPGP-UHFFFAOYSA-N 0 0 298.327 3.857 10 5 CHBERN Cc1ncc(-c2ccc([N+](=O)[O-])cc2)c(NC2CCCC2)n1 ZINC000034602602 171845048 /nfs/dbraw/zinc/84/50/48/171845048.db2.gz UYOMDCHXBKTYNV-UHFFFAOYSA-N 0 0 298.346 3.715 10 5 CHBERN CN(C(=O)c1ccc(F)c([N+](=O)[O-])c1)C1CCCCCC1 ZINC000035175553 172028671 /nfs/dbraw/zinc/02/86/71/172028671.db2.gz HOIJOMJJKUBIOG-UHFFFAOYSA-N 0 0 294.326 3.529 10 5 CHBERN CCC[C@H](C)Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000035186040 172040791 /nfs/dbraw/zinc/04/07/91/172040791.db2.gz SNSGGBXSLDXPJN-JTQLQIEISA-N 0 0 259.309 3.744 10 5 CHBERN COc1ccc(C)cc1CNc1ccc(C)c([N+](=O)[O-])c1 ZINC000035223821 172067962 /nfs/dbraw/zinc/06/79/62/172067962.db2.gz ZQQMIJSPOKUAHL-UHFFFAOYSA-N 0 0 286.331 3.832 10 5 CHBERN O=[N+]([O-])c1ccc(SCc2ccc(Cl)nc2)cc1 ZINC000035286509 172104211 /nfs/dbraw/zinc/10/42/11/172104211.db2.gz ZEPSCNSYORSLCY-UHFFFAOYSA-N 0 0 280.736 3.936 10 5 CHBERN Cc1nc2cc(N[C@@H](C)C(C)C)c([N+](=O)[O-])cc2s1 ZINC000035342580 172134856 /nfs/dbraw/zinc/13/48/56/172134856.db2.gz IUSJUYJLDZJEHM-QMMMGPOBSA-N 0 0 279.365 3.969 10 5 CHBERN Cc1ccc(NCc2ccc([N+](=O)[O-])o2)cc1Cl ZINC000037188461 173018348 /nfs/dbraw/zinc/01/83/48/173018348.db2.gz FULXSWITUQKTCC-UHFFFAOYSA-N 0 0 266.684 3.762 10 5 CHBERN COc1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000037247327 173060408 /nfs/dbraw/zinc/06/04/08/173060408.db2.gz NSOWSRRWURZYKG-UHFFFAOYSA-N 0 0 264.325 3.596 10 5 CHBERN O=[N+]([O-])c1ccc(Cl)nc1Nc1cc(F)ccc1F ZINC000037331629 173132695 /nfs/dbraw/zinc/13/26/95/173132695.db2.gz HABYOIKEFWUNBY-UHFFFAOYSA-N 0 0 285.637 3.665 10 5 CHBERN O=Cc1c(Cl)cccc1Oc1cccc([N+](=O)[O-])c1 ZINC000038080422 174089819 /nfs/dbraw/zinc/08/98/19/174089819.db2.gz SCUYVTCOLZZTHD-UHFFFAOYSA-N 0 0 277.663 3.853 10 5 CHBERN Cc1nc2ccccc2c(N(C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000038304245 174139623 /nfs/dbraw/zinc/13/96/23/174139623.db2.gz DIHCMDVTRMTNEH-UHFFFAOYSA-N 0 0 294.314 3.614 10 5 CHBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[C@H]1CCCO1 ZINC000302817569 227890000 /nfs/dbraw/zinc/89/00/00/227890000.db2.gz IRABMQIDRSLPCF-LLVKDONJSA-N 0 0 284.743 3.538 10 5 CHBERN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1F ZINC000302844382 227892135 /nfs/dbraw/zinc/89/21/35/227892135.db2.gz FUZHFJKECSHIOF-UHFFFAOYSA-N 0 0 292.222 3.743 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CC1CC1 ZINC000127615816 264263022 /nfs/dbraw/zinc/26/30/22/264263022.db2.gz DUEDKGNTJHPHIT-SNVBAGLBSA-N 0 0 291.351 3.522 10 5 CHBERN O=[N+]([O-])c1c(F)cccc1NCCCCC(F)(F)F ZINC000128959466 264304977 /nfs/dbraw/zinc/30/49/77/264304977.db2.gz KZWJMXHYYQOWSU-UHFFFAOYSA-N 0 0 280.221 3.878 10 5 CHBERN COc1ccc(F)c(N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000094854553 265263643 /nfs/dbraw/zinc/26/36/43/265263643.db2.gz APKRJJVBDLKJRZ-JTQLQIEISA-N 0 0 290.294 3.916 10 5 CHBERN CCCC[C@@H](CC)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000021989265 326867791 /nfs/dbraw/zinc/86/77/91/326867791.db2.gz NPSJHQMIVNJLNN-GFCCVEGCSA-N 0 0 279.336 3.968 10 5 CHBERN COc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000133774860 327199636 /nfs/dbraw/zinc/19/96/36/327199636.db2.gz RHQBPCPMILWLMW-KBPBESRZSA-N 0 0 284.315 3.571 10 5 CHBERN CC[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000050197562 327310256 /nfs/dbraw/zinc/31/02/56/327310256.db2.gz YIEVZMUCMJZEJL-GFCCVEGCSA-N 0 0 257.293 3.553 10 5 CHBERN Cc1ccc(N[C@@H](C)c2cncc(F)c2)c([N+](=O)[O-])c1 ZINC000227824664 333288851 /nfs/dbraw/zinc/28/88/51/333288851.db2.gz LTSGBHYABHQYPL-JTQLQIEISA-N 0 0 275.283 3.610 10 5 CHBERN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C)cs1 ZINC000061570405 518293087 /nfs/dbraw/zinc/29/30/87/518293087.db2.gz DDLIIFYFVNAEBS-UHFFFAOYSA-N 0 0 294.357 3.714 10 5 CHBERN CC[C@H](Nc1ccncc1[N+](=O)[O-])c1cccs1 ZINC000049531336 522774987 /nfs/dbraw/zinc/77/49/87/522774987.db2.gz WTPUSYSLPQORAX-VIFPVBQESA-N 0 0 263.322 3.615 10 5 CHBERN CC[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1N ZINC000052840916 523224163 /nfs/dbraw/zinc/22/41/63/523224163.db2.gz BSDDKUCXOQYOGK-ZWNOBZJWSA-N 0 0 263.341 3.558 10 5 CHBERN CO[C@H]1CCC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000227760019 523977242 /nfs/dbraw/zinc/97/72/42/523977242.db2.gz QGOSRHDJRYKVHK-MNOVXSKESA-N 0 0 284.743 3.618 10 5 CHBERN C[C@@H]1CCC[C@H](Sc2ccc([N+](=O)[O-])cc2N)C1 ZINC000054689298 524412838 /nfs/dbraw/zinc/41/28/38/524412838.db2.gz LUJUOGJMQWZTLZ-KOLCDFICSA-N 0 0 266.366 3.848 10 5 CHBERN Cc1c(Cl)cccc1Nc1ccc([N+](=O)[O-])cc1N ZINC000052840299 525781763 /nfs/dbraw/zinc/78/17/63/525781763.db2.gz JCWWTENPKDCXNI-UHFFFAOYSA-N 0 0 277.711 3.882 10 5 CHBERN O=C1CCCCC[C@@H]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444296 526971371 /nfs/dbraw/zinc/97/13/71/526971371.db2.gz RMBSHWSMOSJOAF-LLVKDONJSA-N 0 0 281.739 3.940 10 5 CHBERN O=[N+]([O-])c1ccc(OCCCC(F)(F)C(F)(F)F)cc1 ZINC000098210984 567923031 /nfs/dbraw/zinc/92/30/31/567923031.db2.gz QWMDNAOLVMZQSR-UHFFFAOYSA-N 0 0 299.195 3.951 10 5 CHBERN O=[N+]([O-])c1ccc(-c2ccc([C@H]3CCO3)cc2)cc1 ZINC000725265217 567923324 /nfs/dbraw/zinc/92/33/24/567923324.db2.gz PFADUYVXNSYXIF-OAHLLOKOSA-N 0 0 255.273 3.723 10 5 CHBERN O=[N+]([O-])c1ccc2c(c1)Nc1cc([N+](=O)[O-])ccc1S2 ZINC000090367545 570371043 /nfs/dbraw/zinc/37/10/43/570371043.db2.gz MRFMKCMMSFCWHW-UHFFFAOYSA-N 0 0 289.272 3.711 10 5 CHBERN CC(C)(C)c1ccc([N+](=O)[O-])c(C(C)(C)C)c1N ZINC000005383804 170092784 /nfs/dbraw/zinc/09/27/84/170092784.db2.gz LIQZSKKWORASRB-UHFFFAOYSA-N 0 0 250.342 3.772 10 5 CHBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)Oc1ccccc1 ZINC000005854306 170147414 /nfs/dbraw/zinc/14/74/14/170147414.db2.gz PZNOCRQGPBZNGP-UHFFFAOYSA-N 0 0 272.260 3.514 10 5 CHBERN Cc1cccc(Oc2ccc(C=O)cc2[N+](=O)[O-])c1C ZINC000020298738 171138342 /nfs/dbraw/zinc/13/83/42/171138342.db2.gz NMRDEYHPORKMOC-UHFFFAOYSA-N 0 0 271.272 3.816 10 5 CHBERN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2C=O)cc1C ZINC000020368574 171166802 /nfs/dbraw/zinc/16/68/02/171166802.db2.gz PJZOAVGSHUZMKB-UHFFFAOYSA-N 0 0 271.272 3.816 10 5 CHBERN O=Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1Cl ZINC000020368564 171167237 /nfs/dbraw/zinc/16/72/37/171167237.db2.gz YQEMDXKXTURCPC-UHFFFAOYSA-N 0 0 277.663 3.853 10 5 CHBERN CC1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000020474789 171219349 /nfs/dbraw/zinc/21/93/49/171219349.db2.gz LARNGWADNJSCIV-UHFFFAOYSA-N 0 0 252.289 3.725 10 5 CHBERN Cc1c(-c2nc3ccc([N+](=O)[O-])cc3o2)cccc1[N+](=O)[O-] ZINC000021127627 171298275 /nfs/dbraw/zinc/29/82/75/171298275.db2.gz NGMSZNCCOIVPGX-UHFFFAOYSA-N 0 0 299.242 3.620 10 5 CHBERN C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)c1ccco1 ZINC000035207737 172052743 /nfs/dbraw/zinc/05/27/43/172052743.db2.gz LMGCDIFABFMLPM-SNVBAGLBSA-N 0 0 283.287 3.909 10 5 CHBERN CCC(CC)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000035208003 172054058 /nfs/dbraw/zinc/05/40/58/172054058.db2.gz LOIJXRCYZNDWNK-UHFFFAOYSA-N 0 0 284.743 3.509 10 5 CHBERN CCOc1ccccc1CNc1ccc(C)c([N+](=O)[O-])c1 ZINC000035223817 172068191 /nfs/dbraw/zinc/06/81/91/172068191.db2.gz JARYJFIFJJETDZ-UHFFFAOYSA-N 0 0 286.331 3.914 10 5 CHBERN COc1ccc(CNc2cccc([N+](=O)[O-])c2C)cc1 ZINC000035224172 172068712 /nfs/dbraw/zinc/06/87/12/172068712.db2.gz RZQHFDBWVLTMSY-UHFFFAOYSA-N 0 0 272.304 3.524 10 5 CHBERN CC(C)[C@@H](C)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000035343507 172135928 /nfs/dbraw/zinc/13/59/28/172135928.db2.gz UTMLDGVFMZVJMQ-SNVBAGLBSA-N 0 0 259.309 3.599 10 5 CHBERN Cc1c(COc2cccc([C@@H](C)O)c2)cccc1[N+](=O)[O-] ZINC000035649565 172326235 /nfs/dbraw/zinc/32/62/35/172326235.db2.gz XWTMKNIHLSYCLT-GFCCVEGCSA-N 0 0 287.315 3.536 10 5 CHBERN O=[N+]([O-])c1ccc(Cl)c(NCc2ccc(F)cc2)c1 ZINC000037059951 172925178 /nfs/dbraw/zinc/92/51/78/172925178.db2.gz OCYWZDLWOMGSLG-UHFFFAOYSA-N 0 0 280.686 3.999 10 5 CHBERN CCCc1ccc(NCc2ccc([N+](=O)[O-])o2)cc1 ZINC000037231281 173050078 /nfs/dbraw/zinc/05/00/78/173050078.db2.gz GULYXRPYKAWVFZ-UHFFFAOYSA-N 0 0 260.293 3.752 10 5 CHBERN O=[N+]([O-])c1cc(Br)ccc1NCC1CCCC1 ZINC000037251444 173063718 /nfs/dbraw/zinc/06/37/18/173063718.db2.gz SCHIIZHXEYTYLX-UHFFFAOYSA-N 0 0 299.168 3.959 10 5 CHBERN Cc1ncsc1[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000037281083 173089079 /nfs/dbraw/zinc/08/90/79/173089079.db2.gz GFCCTAQQICYYEP-QMMMGPOBSA-N 0 0 281.312 3.672 10 5 CHBERN CC(C)C[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037984264 173945918 /nfs/dbraw/zinc/94/59/18/173945918.db2.gz QHXWZSAIEPICRO-JTQLQIEISA-N 0 0 298.770 3.755 10 5 CHBERN Nc1ccccc1Oc1ccc([N+](=O)[O-])cc1Cl ZINC000038056559 174067855 /nfs/dbraw/zinc/06/78/55/174067855.db2.gz RCTQLNMBOMABEG-UHFFFAOYSA-N 0 0 264.668 3.623 10 5 CHBERN Cc1ccc([N+](=O)[O-])cc1Oc1ccccc1C=O ZINC000038081760 174090499 /nfs/dbraw/zinc/09/04/99/174090499.db2.gz INGKDNARMYEPNB-UHFFFAOYSA-N 0 0 257.245 3.508 10 5 CHBERN Cc1cc(Cl)cn2cc(-c3ccc([N+](=O)[O-])cc3)nc12 ZINC000040383818 174251662 /nfs/dbraw/zinc/25/16/62/174251662.db2.gz HVXXWDJJDZDQEM-UHFFFAOYSA-N 0 0 287.706 3.871 10 5 CHBERN COc1cc(/C=C\c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000040564371 174336876 /nfs/dbraw/zinc/33/68/76/174336876.db2.gz ZOKYIFYCPTXDCW-ARJAWSKDSA-N 0 0 285.299 3.782 10 5 CHBERN [O-][N+]1(Cc2ccccc2Cl)CCc2sccc2C1 ZINC000077319516 177251751 /nfs/dbraw/zinc/25/17/51/177251751.db2.gz YEICEJCPALKCAT-UHFFFAOYSA-N 0 0 279.792 3.972 10 5 world CHBERN Cc1cc(N2CC[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000301597746 227603661 /nfs/dbraw/zinc/60/36/61/227603661.db2.gz XEIAXXIVAGMBCY-SWLSCSKDSA-N 0 0 260.337 3.672 10 5 CHBERN Cc1ccccc1CNc1cc(F)ccc1[N+](=O)[O-] ZINC000052119724 261062833 /nfs/dbraw/zinc/06/28/33/261062833.db2.gz IJTCMZOHKJGOIY-UHFFFAOYSA-N 0 0 260.268 3.654 10 5 CHBERN C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000070942100 264243337 /nfs/dbraw/zinc/24/33/37/264243337.db2.gz ZZKYIMJLUDYNDX-SSDOTTSWSA-N 0 0 283.740 3.878 10 5 CHBERN C[C@H]([NH2+]CC1=CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000379591651 330137939 /nfs/dbraw/zinc/13/79/39/330137939.db2.gz XQYOPJFFTYXNPV-LBPRGKRZSA-N 0 0 260.337 3.746 10 5 CHBERN O=[N+]([O-])c1cccc(-c2cnc(C(F)F)s2)c1 ZINC000536954870 330382948 /nfs/dbraw/zinc/38/29/48/330382948.db2.gz NFPVVDNMUIGTDO-UHFFFAOYSA-N 0 0 256.233 3.656 10 5 CHBERN Nc1ccc(-c2cccc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000536958064 330383631 /nfs/dbraw/zinc/38/36/31/330383631.db2.gz JEFBSHNSBGLWFE-UHFFFAOYSA-N 0 0 282.221 3.863 10 5 CHBERN CC[C@@H](Nc1cc(OC)c([N+](=O)[O-])cc1F)C(C)C ZINC000218846514 333137297 /nfs/dbraw/zinc/13/72/97/333137297.db2.gz XFZPGMAOMGARHT-SNVBAGLBSA-N 0 0 270.304 3.589 10 5 CHBERN Cc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000226546994 333264845 /nfs/dbraw/zinc/26/48/45/333264845.db2.gz HYPRUUMSQJULJP-QMMMGPOBSA-N 0 0 281.699 3.718 10 5 CHBERN CCS[C@H]1CC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000230922454 333322626 /nfs/dbraw/zinc/32/26/26/333322626.db2.gz RUMJGOGBPFMKAJ-QWRGUYRKSA-N 0 0 284.356 3.820 10 5 CHBERN CCC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000231663870 333327074 /nfs/dbraw/zinc/32/70/74/333327074.db2.gz MFYHNQUMLFEZFQ-MFKMUULPSA-N 0 0 271.320 3.744 10 5 CHBERN Cc1cnc([C@H](C)Nc2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000231747268 333329101 /nfs/dbraw/zinc/32/91/01/333329101.db2.gz UXXFWYCACIVDCU-QMMMGPOBSA-N 0 0 281.699 3.718 10 5 CHBERN CCc1cnc([C@H](C)Nc2ccc(F)cc2[N+](=O)[O-])s1 ZINC000135818696 334139153 /nfs/dbraw/zinc/13/91/53/334139153.db2.gz UYXBQUQNUCBWEJ-QMMMGPOBSA-N 0 0 295.339 3.926 10 5 CHBERN CCCNc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000061714412 520186221 /nfs/dbraw/zinc/18/62/21/520186221.db2.gz SDTXDLXJGGISNR-UHFFFAOYSA-N 0 0 277.349 3.849 10 5 CHBERN CCOc1cc(N[C@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000111046498 520765580 /nfs/dbraw/zinc/76/55/80/520765580.db2.gz MGJMSOPQAHEDCQ-SNVBAGLBSA-N 0 0 276.292 3.760 10 5 CHBERN CCCCSCc1cc([N+](=O)[O-])ccc1NC ZINC000050838407 520958530 /nfs/dbraw/zinc/95/85/30/520958530.db2.gz DUQIWGNDIYNFQE-UHFFFAOYSA-N 0 0 254.355 3.670 10 5 CHBERN CC[C@H]1CCCC[C@H]1Oc1ccc([N+](=O)[O-])cc1N ZINC000052841679 523065903 /nfs/dbraw/zinc/06/59/03/523065903.db2.gz CLTKMTMWDBYZMA-GXFFZTMASA-N 0 0 264.325 3.525 10 5 CHBERN Cc1cc(C)c(Oc2cccc(F)n2)c([N+](=O)[O-])c1 ZINC000050441787 524310698 /nfs/dbraw/zinc/31/06/98/524310698.db2.gz JTXWBUMIWYJFFR-UHFFFAOYSA-N 0 0 262.240 3.538 10 5 CHBERN COc1ccc2cc(CO)c3cc(OC)c(OC)cc3c2c1 ZINC000061704730 525632127 /nfs/dbraw/zinc/63/21/27/525632127.db2.gz CNBZGBOFLYDSPU-UHFFFAOYSA-N 0 0 298.338 3.511 10 5 CHBERN C[C@H](Nc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000052119098 525643570 /nfs/dbraw/zinc/64/35/70/525643570.db2.gz YOFZYDJAFGGBCK-JTQLQIEISA-N 0 0 260.268 3.907 10 5 CHBERN C[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1ccco1 ZINC000037420940 525667200 /nfs/dbraw/zinc/66/72/00/525667200.db2.gz SRMWGBHYDDFXQR-QMMMGPOBSA-N 0 0 250.229 3.500 10 5 CHBERN Cc1ccc([C@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)o1 ZINC000227887638 525947968 /nfs/dbraw/zinc/94/79/68/525947968.db2.gz FQFOEDGWMNEXJY-QMMMGPOBSA-N 0 0 282.246 3.948 10 5 CHBERN Cc1sc(NC2CC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000061714531 526884348 /nfs/dbraw/zinc/88/43/48/526884348.db2.gz MUKSZOVDEJSTSN-UHFFFAOYSA-N 0 0 275.333 3.601 10 5 CHBERN O=[N+]([O-])c1ccc(N[C@H]2CCc3ccccc32)c(F)c1 ZINC000042097109 527368118 /nfs/dbraw/zinc/36/81/18/527368118.db2.gz KBQILKUQAJQUFF-AWEZNQCLSA-N 0 0 272.279 3.833 10 5 CHBERN Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1Cl ZINC000110621181 567882554 /nfs/dbraw/zinc/88/25/54/567882554.db2.gz NXNRXEQFYKTFMM-UHFFFAOYSA-N 0 0 284.102 3.667 10 5 CHBERN CCCOc1cccc2c(Cl)c([N+](=O)[O-])cnc12 ZINC000098061851 567907566 /nfs/dbraw/zinc/90/75/66/567907566.db2.gz OALDNWAVDPAYTB-UHFFFAOYSA-N 0 0 266.684 3.585 10 5 CHBERN CCCN(CCC)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588436468 1118734942 /nfs/dbraw/zinc/73/49/42/1118734942.db2.gz SQRGSBHYSHDLCZ-SEYXRHQNSA-N 0 0 290.363 3.647 10 5 CHBERN O=[N+]([O-])c1cccc2cn(Cc3ccccc3)cc21 ZINC000085346334 179028715 /nfs/dbraw/zinc/02/87/15/179028715.db2.gz BWSDNRBBNCYMJQ-UHFFFAOYSA-N 0 0 252.273 3.598 10 5 CHBERN CCc1cc2c3cc(Cl)ccc3oc(=O)c2c(C)n1 ZINC000085346325 179029135 /nfs/dbraw/zinc/02/91/35/179029135.db2.gz COPQHDBEVRBWCA-UHFFFAOYSA-N 0 0 273.719 3.865 10 5 CHBERN CC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000003201285 169868012 /nfs/dbraw/zinc/86/80/12/169868012.db2.gz QFLVYQSKBDYXBS-UHFFFAOYSA-N 0 0 257.245 3.590 10 5 CHBERN CC(C)(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005496166 170104522 /nfs/dbraw/zinc/10/45/22/170104522.db2.gz PPXKXVHUZWTNTM-UHFFFAOYSA-N 0 0 270.716 3.623 10 5 CHBERN Brc1ccc2nc3ccccc3nc2c1 ZINC000032266384 171722699 /nfs/dbraw/zinc/72/26/99/171722699.db2.gz CCFGYBQCAMTETL-UHFFFAOYSA-N 0 0 259.106 3.546 10 5 CHBERN CCC(CC)Nc1ccc2scnc2c1[N+](=O)[O-] ZINC000035060760 171962041 /nfs/dbraw/zinc/96/20/41/171962041.db2.gz CAUIJLHJJCOGCL-UHFFFAOYSA-N 0 0 265.338 3.805 10 5 CHBERN CCCCNc1cc2nc(C)sc2cc1[N+](=O)[O-] ZINC000035060359 171962248 /nfs/dbraw/zinc/96/22/48/171962248.db2.gz RWYZZXYBVHQDRN-UHFFFAOYSA-N 0 0 265.338 3.725 10 5 CHBERN COc1cc([N+](=O)[O-])ccc1N[C@@H](C)c1ccc(F)cc1 ZINC000035224080 172068687 /nfs/dbraw/zinc/06/86/87/172068687.db2.gz ZAZUVRWTZRXBQN-JTQLQIEISA-N 0 0 290.294 3.916 10 5 CHBERN CC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000035286801 172105211 /nfs/dbraw/zinc/10/52/11/172105211.db2.gz BKTHVQOUAQUKEX-UHFFFAOYSA-N 0 0 273.313 3.949 10 5 CHBERN O=[N+]([O-])c1ccc2c(ccn2COCc2ccccc2)c1 ZINC000036469342 172637062 /nfs/dbraw/zinc/63/70/62/172637062.db2.gz RDOIJIUFTSYLKP-UHFFFAOYSA-N 0 0 282.299 3.724 10 5 CHBERN Nc1cc(F)ccc1SCc1ccccc1[N+](=O)[O-] ZINC000037195218 173023898 /nfs/dbraw/zinc/02/38/98/173023898.db2.gz VWTKGHDWPWSPPF-UHFFFAOYSA-N 0 0 278.308 3.608 10 5 CHBERN CC(C)CCC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000037364307 173154098 /nfs/dbraw/zinc/15/40/98/173154098.db2.gz ONZWVOOONREBJS-UHFFFAOYSA-N 0 0 260.293 3.695 10 5 CHBERN O=[N+]([O-])c1ccc(Oc2cccc(Cl)c2CO)cc1 ZINC000038080252 174090163 /nfs/dbraw/zinc/09/01/63/174090163.db2.gz AIHACBSYCKCQQH-UHFFFAOYSA-N 0 0 279.679 3.533 10 5 CHBERN O=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1Cl ZINC000038081067 174090401 /nfs/dbraw/zinc/09/04/01/174090401.db2.gz KESZOSIOOQVKGP-UHFFFAOYSA-N 0 0 277.663 3.853 10 5 CHBERN Cc1c(Oc2ccccc2C=O)cccc1[N+](=O)[O-] ZINC000038081595 174090581 /nfs/dbraw/zinc/09/05/81/174090581.db2.gz AVZYUVBBOXGTAY-UHFFFAOYSA-N 0 0 257.245 3.508 10 5 CHBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1ccc(F)cc1F ZINC000038082201 174091207 /nfs/dbraw/zinc/09/12/07/174091207.db2.gz ALRIIRWWSOXSDK-UHFFFAOYSA-N 0 0 286.621 3.714 10 5 CHBERN C[C@H](Nc1ccncc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000038093167 174106968 /nfs/dbraw/zinc/10/69/68/174106968.db2.gz SVEUANHRVSFZSY-VIFPVBQESA-N 0 0 277.711 3.816 10 5 CHBERN O=[N+]([O-])c1ccc(-c2nssc2=S)cc1 ZINC000040980325 174445473 /nfs/dbraw/zinc/44/54/73/174445473.db2.gz NDWDQCUTWPWJML-UHFFFAOYSA-N 0 0 256.333 3.509 10 5 CHBERN O=C1CCCCC[C@H]1CCc1ccc([N+](=O)[O-])cc1 ZINC000043650130 175085605 /nfs/dbraw/zinc/08/56/05/175085605.db2.gz OUPNLLVLWJIDPW-ZDUSSCGKSA-N 0 0 261.321 3.677 10 5 CHBERN O=[N+]([O-])c1ccc(F)cc1-c1nc2ccccc2o1 ZINC000071296205 176112099 /nfs/dbraw/zinc/11/20/99/176112099.db2.gz UUDIVZONHFBBNF-UHFFFAOYSA-N 0 0 258.208 3.542 10 5 CHBERN Cc1cc(N[C@H]2CCC[C@@]2(C)CO)c(Cl)cc1[N+](=O)[O-] ZINC000301469985 227550430 /nfs/dbraw/zinc/55/04/30/227550430.db2.gz IJOZPRQENCFGKC-KBPBESRZSA-N 0 0 298.770 3.520 10 5 CHBERN Cc1cnc(N[C@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000090692288 260382565 /nfs/dbraw/zinc/38/25/65/260382565.db2.gz RMQUZIVIZDOWHE-AWEZNQCLSA-N 0 0 283.331 3.788 10 5 CHBERN O=[N+]([O-])c1ccccc1NCc1ccnc2ccccc12 ZINC000111788872 261543880 /nfs/dbraw/zinc/54/38/80/261543880.db2.gz HGSHLBULYXWBFO-UHFFFAOYSA-N 0 0 279.299 3.755 10 5 CHBERN Cc1cc(NCC2(CCO)CCC2)c(Cl)cc1[N+](=O)[O-] ZINC000132694330 264399769 /nfs/dbraw/zinc/39/97/69/264399769.db2.gz NHVZMFISGWWALN-UHFFFAOYSA-N 0 0 298.770 3.521 10 5 CHBERN Cc1cnc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cc2F)o1 ZINC000312663241 326935656 /nfs/dbraw/zinc/93/56/56/326935656.db2.gz ARPBDLJFIOOIIR-VIFPVBQESA-N 0 0 279.271 3.512 10 5 CHBERN CC[C@H](Nc1cccc(F)n1)c1cccc([N+](=O)[O-])c1 ZINC000090147199 327031414 /nfs/dbraw/zinc/03/14/14/327031414.db2.gz YAMFEFDBLZQBOA-LBPRGKRZSA-N 0 0 275.283 3.692 10 5 CHBERN CCS[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000230923040 333322682 /nfs/dbraw/zinc/32/26/82/333322682.db2.gz UYRSPZOBAGUWHJ-CMPLNLGQSA-N 0 0 296.392 3.690 10 5 CHBERN CCS[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000230922767 333322758 /nfs/dbraw/zinc/32/27/58/333322758.db2.gz VQWXEQVZSPTXOF-ONGXEEELSA-N 0 0 284.356 3.820 10 5 CHBERN Cc1cnc([C@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000231677350 333327621 /nfs/dbraw/zinc/32/76/21/333327621.db2.gz AGFOZAIYWOGTNE-QMMMGPOBSA-N 0 0 281.699 3.718 10 5 CHBERN COc1cccc(N[C@@H](C)c2cccs2)c1[N+](=O)[O-] ZINC000134905168 334107673 /nfs/dbraw/zinc/10/76/73/334107673.db2.gz UDQMMMCSSPANPA-VIFPVBQESA-N 0 0 278.333 3.838 10 5 CHBERN Nc1cc([N+](=O)[O-])ccc1Nc1ccc(C(F)(F)F)cc1 ZINC000052840323 527462044 /nfs/dbraw/zinc/46/20/44/527462044.db2.gz MNFSPRMPHCJRMY-UHFFFAOYSA-N 0 0 297.236 3.939 10 5 CHBERN Nc1ccc(CSC2CCCCC2)cc1[N+](=O)[O-] ZINC000050838973 527483598 /nfs/dbraw/zinc/48/35/98/527483598.db2.gz XISWEMCVCQKERH-UHFFFAOYSA-N 0 0 266.366 3.743 10 5 CHBERN CC(C)c1csc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000675078973 567026123 /nfs/dbraw/zinc/02/61/23/567026123.db2.gz CXKLIQNWTXSAJO-UHFFFAOYSA-N 0 0 266.297 3.981 10 5 CHBERN CCCc1cccc2c(Cl)c([N+](=O)[O-])cnc12 ZINC000098061898 567907502 /nfs/dbraw/zinc/90/75/02/567907502.db2.gz QBUFXHSDCDSURX-UHFFFAOYSA-N 0 0 250.685 3.749 10 5 CHBERN Cc1c(-c2cccc3occc32)cncc1[N+](=O)[O-] ZINC000725263333 567922876 /nfs/dbraw/zinc/92/28/76/567922876.db2.gz MIBYDCNBKXCUPQ-UHFFFAOYSA-N 0 0 254.245 3.711 10 5 CHBERN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3CCO3)cc2)cc1 ZINC000725265216 567923301 /nfs/dbraw/zinc/92/33/01/567923301.db2.gz PFADUYVXNSYXIF-HNNXBMFYSA-N 0 0 255.273 3.723 10 5 CHBERN CC(C)n1cc(C(F)F)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000725270484 567924563 /nfs/dbraw/zinc/92/45/63/567924563.db2.gz OTPWEXAHVXPMNZ-UHFFFAOYSA-N 0 0 281.262 3.977 10 5 CHBERN O=[N+]([O-])c1cnc2cc(F)c(Cl)cc2c1Cl ZINC000165889662 570252704 /nfs/dbraw/zinc/25/27/04/570252704.db2.gz SIVLSTLPXKKAKN-UHFFFAOYSA-N 0 0 261.039 3.589 10 5 CHBERN C[N+](C)([O-])CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000575627555 717184085 /nfs/dbraw/zinc/18/40/85/717184085.db2.gz YNFDRQZHRNYXFR-HNNXBMFYSA-N 0 0 291.802 3.723 10 5 CHBERN C[N@@+]1([O-])CCc2c(c3ccccc3n2Cc2ccccc2)C1 ZINC000701662732 717188274 /nfs/dbraw/zinc/18/82/74/717188274.db2.gz ZDBGXQJKFLJWRJ-OAQYLSRUSA-N 0 0 292.382 3.690 10 5 CHBERN COC(=O)c1ccc(/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000085473490 179078225 /nfs/dbraw/zinc/07/82/25/179078225.db2.gz PTBDNZRVAGPHKG-IHWYPQMZSA-N 0 0 283.283 3.552 10 5 CHBERN O=[N+]([O-])c1ccc2[nH]nc(-c3ccc(Cl)cc3)c2c1 ZINC000091364422 180142396 /nfs/dbraw/zinc/14/23/96/180142396.db2.gz NYKDPICRWADIIB-UHFFFAOYSA-N 0 0 273.679 3.792 10 5 CHBERN COc1ccc(NCc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000006573435 170214937 /nfs/dbraw/zinc/21/49/37/170214937.db2.gz KGWPUIBFAQECCO-UHFFFAOYSA-N 0 0 272.304 3.524 10 5 CHBERN CC(=O)c1ccc(Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000008080577 170318367 /nfs/dbraw/zinc/31/83/67/170318367.db2.gz ZUZYKCDDMRPCRV-UHFFFAOYSA-N 0 0 257.245 3.590 10 5 CHBERN Cc1ccc(CCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000008906160 170358551 /nfs/dbraw/zinc/35/85/51/170358551.db2.gz GRWGBQZKWIGGHL-UHFFFAOYSA-N 0 0 298.342 3.783 10 5 CHBERN CC(C)[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000017055506 170724395 /nfs/dbraw/zinc/72/43/95/170724395.db2.gz GAOXQJGNOFYFON-SECBINFHSA-N 0 0 292.360 3.584 10 5 CHBERN O=[N+]([O-])c1ccccc1CNc1cccc2ncccc21 ZINC000020088027 170988774 /nfs/dbraw/zinc/98/87/74/170988774.db2.gz WBLKYTPSXULIQQ-UHFFFAOYSA-N 0 0 279.299 3.755 10 5 CHBERN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(CO)cc1 ZINC000021951919 171340127 /nfs/dbraw/zinc/34/01/27/171340127.db2.gz UYUSXCGNLVZZMW-UHFFFAOYSA-N 0 0 279.679 3.533 10 5 CHBERN COc1ccccc1CNc1ccc(C)c([N+](=O)[O-])c1 ZINC000035223815 172067804 /nfs/dbraw/zinc/06/78/04/172067804.db2.gz OGEXJPQSLUNSPB-UHFFFAOYSA-N 0 0 272.304 3.524 10 5 CHBERN Cc1ccc(NCCCc2ccccc2)cc1[N+](=O)[O-] ZINC000035223839 172067875 /nfs/dbraw/zinc/06/78/75/172067875.db2.gz HUIYCJIMMLZDFK-UHFFFAOYSA-N 0 0 270.332 3.948 10 5 CHBERN CSc1cccc(NCc2ccc([N+](=O)[O-])o2)c1 ZINC000037188276 173018171 /nfs/dbraw/zinc/01/81/71/173018171.db2.gz QKUPEAFSUYZBRD-UHFFFAOYSA-N 0 0 264.306 3.522 10 5 CHBERN O=[N+]([O-])c1ccc(Cl)nc1OCc1ccccc1Cl ZINC000037331499 173132882 /nfs/dbraw/zinc/13/28/82/173132882.db2.gz NHMSKNFENAOERN-UHFFFAOYSA-N 0 0 299.113 3.876 10 5 CHBERN O=[N+]([O-])c1ccc(Cl)c(COCc2ccccc2)c1 ZINC000037403935 173180289 /nfs/dbraw/zinc/18/02/89/173180289.db2.gz KOOMIFTVTXHRPC-UHFFFAOYSA-N 0 0 277.707 3.965 10 5 CHBERN O=[N+]([O-])c1ccc(Oc2ccccc2CO)c(Cl)c1 ZINC000038081081 174090624 /nfs/dbraw/zinc/09/06/24/174090624.db2.gz VEMWVRVJDJOYBT-UHFFFAOYSA-N 0 0 279.679 3.533 10 5 CHBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1ccccc1F ZINC000038082270 174091119 /nfs/dbraw/zinc/09/11/19/174091119.db2.gz UNJAIOYELVGHCB-UHFFFAOYSA-N 0 0 268.631 3.575 10 5 CHBERN O=[N+]([O-])c1cccc(F)c1COc1cccc2cccnc21 ZINC000171610440 335072505 /nfs/dbraw/zinc/07/25/05/335072505.db2.gz UWVPOEXAUANFMR-UHFFFAOYSA-N 0 0 298.273 3.861 10 5 CHBERN Cc1ccccc1[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000347 260164805 /nfs/dbraw/zinc/16/48/05/260164805.db2.gz WUIRUYANMZSNGZ-LBPRGKRZSA-N 0 0 271.320 3.780 10 5 CHBERN CC(C)[C@H](C)Nc1ccnc2c1cccc2[N+](=O)[O-] ZINC000213984976 260217464 /nfs/dbraw/zinc/21/74/64/260217464.db2.gz FAXKKQXINXMTAH-JTQLQIEISA-N 0 0 259.309 3.599 10 5 CHBERN CCc1ccsc1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000088744788 260234358 /nfs/dbraw/zinc/23/43/58/260234358.db2.gz VNADKGGRXWWFSA-UHFFFAOYSA-N 0 0 297.767 3.879 10 5 CHBERN C[C@H](Cc1cccs1)N(C)c1cccc(F)c1[N+](=O)[O-] ZINC000093293328 260274356 /nfs/dbraw/zinc/27/43/56/260274356.db2.gz RKPVDXDUGOZUOO-SNVBAGLBSA-N 0 0 294.351 3.863 10 5 CHBERN O=[N+]([O-])c1ccc(NCCCCC(F)(F)F)c(F)c1 ZINC000128958534 260379426 /nfs/dbraw/zinc/37/94/26/260379426.db2.gz ZRVGJOUVKCOHCS-UHFFFAOYSA-N 0 0 280.221 3.878 10 5 CHBERN O=[N+]([O-])c1cc(Cl)cnc1NCCCCC(F)(F)F ZINC000128961642 260380684 /nfs/dbraw/zinc/38/06/84/260380684.db2.gz XNFLSFGZLKRJCU-UHFFFAOYSA-N 0 0 297.664 3.788 10 5 CHBERN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)CC1CC1 ZINC000191408828 264501815 /nfs/dbraw/zinc/50/18/15/264501815.db2.gz APFRIWKGGRZMNC-LLVKDONJSA-N 0 0 291.351 3.522 10 5 CHBERN O=[N+]([O-])c1ccc(N[C@H]2CCc3c2cccc3F)cc1 ZINC000048962686 328326869 /nfs/dbraw/zinc/32/68/69/328326869.db2.gz YSODMQRYFSRWOF-HNNXBMFYSA-N 0 0 272.279 3.833 10 5 CHBERN CC[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(C)C ZINC000049146464 328349479 /nfs/dbraw/zinc/34/94/79/328349479.db2.gz UMTFPCDZPJSGJB-CYBMUJFWSA-N 0 0 273.336 3.990 10 5 CHBERN COc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000133774500 327199643 /nfs/dbraw/zinc/19/96/43/327199643.db2.gz RHQBPCPMILWLMW-KGLIPLIRSA-N 0 0 284.315 3.571 10 5 CHBERN O=[N+]([O-])c1ccc(F)cc1NCc1cc(F)cc(F)c1 ZINC000236211786 333373164 /nfs/dbraw/zinc/37/31/64/333373164.db2.gz NLLFBBAVGXERBY-UHFFFAOYSA-N 0 0 282.221 3.624 10 5 CHBERN CC(C)Oc1ccc(Nc2ccc([N+](=O)[O-])cc2N)cc1 ZINC000052840407 519781282 /nfs/dbraw/zinc/78/12/82/519781282.db2.gz AROXRVZYJUOGRF-UHFFFAOYSA-N 0 0 287.319 3.708 10 5 CHBERN CCNc1ccc(CSCC(C)C)cc1[N+](=O)[O-] ZINC000050837671 520304234 /nfs/dbraw/zinc/30/42/34/520304234.db2.gz WAIYSHXHZROXEC-UHFFFAOYSA-N 0 0 268.382 3.916 10 5 CHBERN CC[C@@H](C)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000054474439 521999552 /nfs/dbraw/zinc/99/95/52/521999552.db2.gz UJVVTBNYNKCYIS-SNVBAGLBSA-N 0 0 259.309 3.601 10 5 CHBERN CC[C@H](C)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000054474440 523887620 /nfs/dbraw/zinc/88/76/20/523887620.db2.gz UJVVTBNYNKCYIS-JTQLQIEISA-N 0 0 259.309 3.601 10 5 CHBERN Cc1ccc([C@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])o1 ZINC000129769982 525950521 /nfs/dbraw/zinc/95/05/21/525950521.db2.gz ZHUXDIIGRQVKBP-QMMMGPOBSA-N 0 0 281.699 3.718 10 5 CHBERN O=[N+]([O-])c1ccc(C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000062139809 527353640 /nfs/dbraw/zinc/35/36/40/527353640.db2.gz FNCJHDBDEWPZQA-AWEZNQCLSA-N 0 0 277.707 3.524 10 5 CHBERN COc1cc2ccc3cc(O)c(OC)cc3c2c(OC)c1 ZINC000000899148 560179361 /nfs/dbraw/zinc/17/93/61/560179361.db2.gz BQUYXVYTCAIRQJ-UHFFFAOYSA-N 0 0 284.311 3.724 10 5 biogenic,in-vitro CHBERN CCN(CC)c1ccc2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000098061913 567907489 /nfs/dbraw/zinc/90/74/89/567907489.db2.gz NUFKXLDSSTVJLQ-UHFFFAOYSA-N 0 0 279.727 3.643 10 5 CHBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCCC(C)(C)C1 ZINC000408301217 1121012411 /nfs/dbraw/zinc/01/24/11/1121012411.db2.gz PXHCMGFATVPEPA-UHFFFAOYSA-N 0 0 290.363 3.556 10 5 CHBERN O=[N+]([O-])c1ccc2[nH]nc(-c3ccccc3Cl)c2c1 ZINC000091364370 180142424 /nfs/dbraw/zinc/14/24/24/180142424.db2.gz AUYCMGACTXWGMD-UHFFFAOYSA-N 0 0 273.679 3.792 10 5 CHBERN CC(C)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000005727491 170134122 /nfs/dbraw/zinc/13/41/22/170134122.db2.gz NDJWINFGIYYEOG-UHFFFAOYSA-N 0 0 284.315 3.971 10 5 CHBERN O=[N+]([O-])c1ccccc1SNC1CCCCC1 ZINC000006222497 170183718 /nfs/dbraw/zinc/18/37/18/170183718.db2.gz WOTGUZOMFUPSDP-UHFFFAOYSA-N 0 0 252.339 3.524 10 5 CHBERN CC(C)(C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000007844620 170304784 /nfs/dbraw/zinc/30/47/84/170304784.db2.gz MEMLIGRGNXIJSF-UHFFFAOYSA-N 0 0 277.349 3.929 10 5 CHBERN O=Cc1ccc(Oc2ccc(F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000008148502 170321586 /nfs/dbraw/zinc/32/15/86/170321586.db2.gz OUIQQPUUBSFIOJ-UHFFFAOYSA-N 0 0 295.653 3.992 10 5 CHBERN O=[N+]([O-])/C=C/c1c[nH]c2cc(OCc3ccccc3)ccc12 ZINC000009915756 170390863 /nfs/dbraw/zinc/39/08/63/170390863.db2.gz CNEFAFFOYZAVCK-CMDGGOBGSA-N 0 0 294.310 3.994 10 5 CHBERN CCC(CC)c1nnc(-c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000021004554 171285002 /nfs/dbraw/zinc/28/50/02/171285002.db2.gz QSBDRBWXWPATQS-UHFFFAOYSA-N 0 0 275.308 3.857 10 5 CHBERN COc1ccc(N[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000021812381 171329802 /nfs/dbraw/zinc/32/98/02/171329802.db2.gz RZUDJXXOSLSMPX-LLVKDONJSA-N 0 0 272.304 3.777 10 5 CHBERN COc1ccc([N+](=O)[O-])cc1NCCCc1ccccc1 ZINC000035223720 172067896 /nfs/dbraw/zinc/06/78/96/172067896.db2.gz GOTBDNNWKXJUHY-UHFFFAOYSA-N 0 0 286.331 3.648 10 5 CHBERN O=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000035408404 172178812 /nfs/dbraw/zinc/17/88/12/172178812.db2.gz HKPCEUQUKGWBNP-UHFFFAOYSA-N 0 0 267.693 3.789 10 5 CHBERN CCN[C@H](c1ccc([N+](=O)[O-])o1)c1ccc(Cl)s1 ZINC000035552787 172259942 /nfs/dbraw/zinc/25/99/42/172259942.db2.gz KZTHTMDKEVIBQT-LLVKDONJSA-N 0 0 286.740 3.602 10 5 CHBERN Cc1ccccc1Oc1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035632272 172315025 /nfs/dbraw/zinc/31/50/25/172315025.db2.gz QIAVRXMQMFSMFY-LLVKDONJSA-N 0 0 273.288 3.749 10 5 CHBERN COc1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000037387341 173170784 /nfs/dbraw/zinc/17/07/84/173170784.db2.gz VPZYGGCBVFPZRG-UHFFFAOYSA-N 0 0 264.325 3.738 10 5 CHBERN CCC(C)(C)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037404266 173180218 /nfs/dbraw/zinc/18/02/18/173180218.db2.gz GFWGNJBHNDBVBO-UHFFFAOYSA-N 0 0 257.717 3.953 10 5 CHBERN Nc1nc2ccccc2c2ccc(C(F)(F)F)cc12 ZINC000038600572 174149128 /nfs/dbraw/zinc/14/91/28/174149128.db2.gz VBQYJKNVRUTAHL-UHFFFAOYSA-N 0 0 262.234 3.989 10 5 CHBERN Cc1cc(N[C@H](C)C2CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302023433 227761760 /nfs/dbraw/zinc/76/17/60/227761760.db2.gz PAMJXYHURRDSHU-SNVBAGLBSA-N 0 0 271.320 3.662 10 5 CHBERN Cc1ccc(Oc2ncc([N+](=O)[O-])cc2Cl)cc1F ZINC000302859673 227893514 /nfs/dbraw/zinc/89/35/14/227893514.db2.gz OJYUUFAVBJTYHB-UHFFFAOYSA-N 0 0 282.658 3.883 10 5 CHBERN O=[N+]([O-])c1cnc(N[C@H]2CCCc3ccccc32)s1 ZINC000209383424 262174189 /nfs/dbraw/zinc/17/41/89/262174189.db2.gz IKJDYGYUHHAGJM-NSHDSACASA-N 0 0 275.333 3.541 10 5 CHBERN O=[N+]([O-])c1ccccc1N[C@@H]1CCc2c1cccc2F ZINC000049322127 328354939 /nfs/dbraw/zinc/35/49/39/328354939.db2.gz HWRHZTHPDSUGTI-CYBMUJFWSA-N 0 0 272.279 3.833 10 5 CHBERN Cc1cccc(N[C@@H](C)c2nccs2)c1[N+](=O)[O-] ZINC000218851399 329084793 /nfs/dbraw/zinc/08/47/93/329084793.db2.gz FANHGXLXSMTKNE-VIFPVBQESA-N 0 0 263.322 3.533 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(NCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000542949791 330367839 /nfs/dbraw/zinc/36/78/39/330367839.db2.gz XSOGPQUMZYTQDM-VXGBXAGGSA-N 0 0 278.352 3.519 10 5 CHBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCc3ccccc32)n1 ZINC000162730101 330953544 /nfs/dbraw/zinc/95/35/44/330953544.db2.gz OXTNJARPKFPALL-AWEZNQCLSA-N 0 0 283.331 3.788 10 5 CHBERN CCS[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000230922763 333322656 /nfs/dbraw/zinc/32/26/56/333322656.db2.gz VQWXEQVZSPTXOF-KOLCDFICSA-N 0 0 284.356 3.820 10 5 CHBERN CCS[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000230922091 333322739 /nfs/dbraw/zinc/32/27/39/333322739.db2.gz CIHBKEOVYHPTSE-OLZOCXBDSA-N 0 0 280.393 3.989 10 5 CHBERN CCC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c2cccnc12 ZINC000231663881 333327115 /nfs/dbraw/zinc/32/71/15/333327115.db2.gz MFYHNQUMLFEZFQ-GXFFZTMASA-N 0 0 271.320 3.744 10 5 CHBERN CO[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000227759910 523647982 /nfs/dbraw/zinc/64/79/82/523647982.db2.gz XEUDFSVRJNPMMW-GXSJLCMTSA-N 0 0 284.743 3.618 10 5 CHBERN C[C@@H]1CCC[C@@H](Sc2ccc([N+](=O)[O-])cc2N)C1 ZINC000054689302 524320590 /nfs/dbraw/zinc/32/05/90/524320590.db2.gz LUJUOGJMQWZTLZ-MWLCHTKSSA-N 0 0 266.366 3.848 10 5 CHBERN Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])cc2N)c1 ZINC000052840368 524437798 /nfs/dbraw/zinc/43/77/98/524437798.db2.gz LKVDXQJZXNRIIO-UHFFFAOYSA-N 0 0 257.293 3.537 10 5 CHBERN C[C@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)c1cccs1 ZINC000278365027 525641938 /nfs/dbraw/zinc/64/19/38/525641938.db2.gz KMZKJGAGQSFZGG-VIFPVBQESA-N 0 0 289.360 3.797 10 5 CHBERN C[C@H](Nc1cc(F)cc([N+](=O)[O-])c1)c1ccsc1 ZINC000061364690 525643306 /nfs/dbraw/zinc/64/33/06/525643306.db2.gz BAVIVXHKQVIATF-QMMMGPOBSA-N 0 0 266.297 3.969 10 5 CHBERN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc(Cl)s1 ZINC000042240388 525661855 /nfs/dbraw/zinc/66/18/55/525661855.db2.gz JGHAXLIYIAEGLH-ZETCQYMHSA-N 0 0 283.740 3.878 10 5 CHBERN Cc1sc(NC(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000061714467 526884898 /nfs/dbraw/zinc/88/48/98/526884898.db2.gz YTZMKEGIERBGTM-UHFFFAOYSA-N 0 0 277.349 3.847 10 5 CHBERN O=[N+]([O-])c1ccc(N[C@@H]2CCOc3ccccc32)c(F)c1 ZINC000042096806 527368175 /nfs/dbraw/zinc/36/81/75/527368175.db2.gz GLSCMQLZNISCDR-CYBMUJFWSA-N 0 0 288.278 3.670 10 5 CHBERN Cc1cc(Br)c([N+](=O)[O-])cc1C(F)(F)F ZINC000095917838 185030625 /nfs/dbraw/zinc/03/06/25/185030625.db2.gz ZROWPBUUFFSSLF-UHFFFAOYSA-N 0 0 284.031 3.685 10 5 CHBERN Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](C(F)(F)F)C1 ZINC000171232501 335059971 /nfs/dbraw/zinc/05/99/71/335059971.db2.gz KKIANHXRZLXPIQ-JTQLQIEISA-N 0 0 288.269 3.682 10 5 CHBERN Cc1ccc(C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003515229 169893470 /nfs/dbraw/zinc/89/34/70/169893470.db2.gz HAAXZVOTSJMHFO-LBPRGKRZSA-N 0 0 285.299 3.553 10 5 CHBERN COc1ccc2c(c1)c1c(ccc3cnccc13)n2C ZINC000005161531 170072066 /nfs/dbraw/zinc/07/20/66/170072066.db2.gz SMMYGTMKVDKSLQ-UHFFFAOYSA-N 0 0 262.312 3.888 10 5 CHBERN C/C(=C\c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005287561 170083177 /nfs/dbraw/zinc/08/31/77/170083177.db2.gz VINCYUAVSOHUBN-ZRDIBKRKSA-N 0 0 282.299 3.637 10 5 CHBERN CC[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000005476850 170103195 /nfs/dbraw/zinc/10/31/95/170103195.db2.gz WQJGFKHWOGWEDW-CYBMUJFWSA-N 0 0 284.315 3.727 10 5 CHBERN Cc1ccc(/C=C/C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000005539862 170110865 /nfs/dbraw/zinc/11/08/65/170110865.db2.gz JWZROINBSXKNAK-ZHACJKMWSA-N 0 0 282.299 3.555 10 5 CHBERN CCC[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005591396 170116905 /nfs/dbraw/zinc/11/69/05/170116905.db2.gz MORZBVCYUMVCJZ-MRVPVSSYSA-N 0 0 270.716 3.623 10 5 CHBERN COc1ccc(Oc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1 ZINC000008147440 170321465 /nfs/dbraw/zinc/32/14/65/170321465.db2.gz PPHZNWWZKFAEPV-UHFFFAOYSA-N 0 0 287.271 3.598 10 5 CHBERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000008317685 170330741 /nfs/dbraw/zinc/33/07/41/170330741.db2.gz OWVNYJHYMHFLFE-AEJSXWLSSA-N 0 0 294.380 3.541 10 5 CHBERN CC(C)[C@H](C)Nc1ccc2scnc2c1[N+](=O)[O-] ZINC000035060811 171961904 /nfs/dbraw/zinc/96/19/04/171961904.db2.gz YPPCKWKQOYVWBK-QMMMGPOBSA-N 0 0 265.338 3.661 10 5 CHBERN O=C(c1ccc([N+](=O)[O-])o1)c1cc(Cl)ccc1Cl ZINC000035379353 172162341 /nfs/dbraw/zinc/16/23/41/172162341.db2.gz URYSNOPDENGNRO-UHFFFAOYSA-N 0 0 286.070 3.726 10 5 CHBERN C[C@H](CNc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000037058510 172924689 /nfs/dbraw/zinc/92/46/89/172924689.db2.gz SOBISDWBJROGKW-GFCCVEGCSA-N 0 0 256.305 3.810 10 5 CHBERN O=[N+]([O-])c1ccc(Cl)nc1Sc1ccccc1 ZINC000037066181 172929261 /nfs/dbraw/zinc/92/92/61/172929261.db2.gz BESOAVPMOKFQAC-UHFFFAOYSA-N 0 0 266.709 3.794 10 5 CHBERN CSc1ccccc1NCc1ccc([N+](=O)[O-])o1 ZINC000037279009 173088294 /nfs/dbraw/zinc/08/82/94/173088294.db2.gz GWDKXHMLXZSKLE-UHFFFAOYSA-N 0 0 264.306 3.522 10 5 CHBERN O=[N+]([O-])c1c(F)cccc1Sc1ccc(O)cc1 ZINC000038079234 174089209 /nfs/dbraw/zinc/08/92/09/174089209.db2.gz NTZLEQKKRXVBDA-UHFFFAOYSA-N 0 0 265.265 3.591 10 5 CHBERN O=c1c2ccccc2oc(-c2ccccc2F)c1[N+](=O)[O-] ZINC000039002717 174161227 /nfs/dbraw/zinc/16/12/27/174161227.db2.gz VYAHDXZZNWHVPM-UHFFFAOYSA-N 0 0 285.230 3.507 10 5 CHBERN Cc1nc(C)c([C@H](C)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000040445484 174265232 /nfs/dbraw/zinc/26/52/32/174265232.db2.gz DECRVUJEMXNHCT-VIFPVBQESA-N 0 0 277.349 3.841 10 5 CHBERN O=C(OCc1cccs1)c1cc([N+](=O)[O-])ccc1Cl ZINC000070166376 175876399 /nfs/dbraw/zinc/87/63/99/175876399.db2.gz WFMRNEGREKREMQ-UHFFFAOYSA-N 0 0 297.719 3.667 10 5 CHBERN Cc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000161512039 261069779 /nfs/dbraw/zinc/06/97/79/261069779.db2.gz CYIIBDFLEPCCGM-NSHDSACASA-N 0 0 271.320 3.780 10 5 CHBERN C[C@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000390692795 262241295 /nfs/dbraw/zinc/24/12/95/262241295.db2.gz AJSFKROIQCDVAQ-CYBMUJFWSA-N 0 0 286.331 3.612 10 5 CHBERN O=[N+]([O-])c1ccc(N[C@@H]2COc3ccccc32)c(Cl)c1 ZINC000058544979 262385352 /nfs/dbraw/zinc/38/53/52/262385352.db2.gz BSQLVFNUPDGMRC-CYBMUJFWSA-N 0 0 290.706 3.794 10 5 CHBERN C[C@H](Nc1ncc([N+](=O)[O-])s1)c1cccc(Cl)c1 ZINC000189683414 264318619 /nfs/dbraw/zinc/31/86/19/264318619.db2.gz UVLDKOPRCOGOGD-ZETCQYMHSA-N 0 0 283.740 3.878 10 5 CHBERN Cc1cccc(N2CCC[C@H](C(F)(F)F)C2)c1[N+](=O)[O-] ZINC000188352580 327751196 /nfs/dbraw/zinc/75/11/96/327751196.db2.gz CKNDPPBBCVPJRA-JTQLQIEISA-N 0 0 288.269 3.682 10 5 CHBERN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]1c1ccco1 ZINC000172026372 329083302 /nfs/dbraw/zinc/08/33/02/329083302.db2.gz KJBREHNZBIEMRV-AWEZNQCLSA-N 0 0 290.294 3.664 10 5 CHBERN CC(=O)c1ccc(N2CC[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000229105096 333300791 /nfs/dbraw/zinc/30/07/91/333300791.db2.gz BCNDRQYVEVOPGB-TZMCWYRMSA-N 0 0 288.347 3.566 10 5 CHBERN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)c1cncc(F)c1 ZINC000235209751 333366841 /nfs/dbraw/zinc/36/68/41/333366841.db2.gz DMKIRICCDQXGSU-SNVBAGLBSA-N 0 0 275.283 3.610 10 5 CHBERN COc1cc(F)c([N+](=O)[O-])c(Oc2ccc(C)c(F)c2)c1 ZINC000302826772 533995788 /nfs/dbraw/zinc/99/57/88/533995788.db2.gz AUPGIYIWNYBMQC-UHFFFAOYSA-N 0 0 295.241 3.982 10 5 CHBERN CCCCCOCc1ccc(NCC)c([N+](=O)[O-])c1 ZINC000050833057 520246463 /nfs/dbraw/zinc/24/64/63/520246463.db2.gz BHSAGBJPKWKCKG-UHFFFAOYSA-N 0 0 266.341 3.733 10 5 CHBERN O=[N+]([O-])c1ccc(N[C@H]2CCOc3ccccc32)c(F)c1 ZINC000042096808 527367701 /nfs/dbraw/zinc/36/77/01/527367701.db2.gz GLSCMQLZNISCDR-ZDUSSCGKSA-N 0 0 288.278 3.670 10 5 CHBERN Nc1ccc(SCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000050444168 527500704 /nfs/dbraw/zinc/50/07/04/527500704.db2.gz QSQOEENDYMQKBQ-UHFFFAOYSA-N 0 0 295.751 3.518 10 5 CHBERN CCOc1cc(N2CC[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000301591716 528313247 /nfs/dbraw/zinc/31/32/47/528313247.db2.gz UGHPOTLXOJIZMC-GXTWGEPZSA-N 0 0 290.363 3.762 10 5 CHBERN Cc1cc(F)ccc1-c1ccc(C=O)cc1[N+](=O)[O-] ZINC000675055943 567021061 /nfs/dbraw/zinc/02/10/61/567021061.db2.gz DYQODLSUXXDBCM-UHFFFAOYSA-N 0 0 259.236 3.522 10 5 CHBERN Cc1cc(Cl)c2ncc([N+](=O)[O-])c(Cl)c2c1 ZINC000165860674 567882262 /nfs/dbraw/zinc/88/22/62/567882262.db2.gz NPWZKXZNKSWJBE-UHFFFAOYSA-N 0 0 257.076 3.758 10 5 CHBERN Cc1cc(-c2ccc([N+](=O)[O-])cc2)c(C)cc1C=O ZINC000675072705 570366944 /nfs/dbraw/zinc/36/69/44/570366944.db2.gz KGNMCLDFQDOKOQ-UHFFFAOYSA-N 0 0 255.273 3.691 10 5 CHBERN CC1(C)CCCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000408417800 1121433086 /nfs/dbraw/zinc/43/30/86/1121433086.db2.gz WQBFIQZKGQFDOL-UHFFFAOYSA-N 0 0 291.351 3.639 10 5 CHBERN COc1ccc2c(c1)C=C[C@H](c1ccc([N+](=O)[O-])cc1)O2 ZINC000002576419 169812508 /nfs/dbraw/zinc/81/25/08/169812508.db2.gz UTLKHYLCBXAVMR-OAHLLOKOSA-N 0 0 283.283 3.750 10 5 in-vitro CHBERN O=[N+]([O-])c1ccc2[nH]nc(-c3cccc(Cl)c3)c2c1 ZINC000091364394 180142621 /nfs/dbraw/zinc/14/26/21/180142621.db2.gz YFWDIGFCYANKEX-UHFFFAOYSA-N 0 0 273.679 3.792 10 5 CHBERN Cc1n[nH]c2cccc(Oc3ccc([N+](=O)[O-])cc3F)c12 ZINC000137127767 187893478 /nfs/dbraw/zinc/89/34/78/187893478.db2.gz JZBOYDLIYFXBGK-UHFFFAOYSA-N 0 0 287.250 3.711 10 5 CHBERN COc1ccc2c(c1)c1c(ccc3ccncc13)n2C ZINC000005161532 170072296 /nfs/dbraw/zinc/07/22/96/170072296.db2.gz OHTQLXBHKUSFLB-UHFFFAOYSA-N 0 0 262.312 3.888 10 5 CHBERN COc1ccc(NCc2ccccc2C)c([N+](=O)[O-])c1 ZINC000006632638 170220345 /nfs/dbraw/zinc/22/03/45/170220345.db2.gz GMPKCFCXDMFLRF-UHFFFAOYSA-N 0 0 272.304 3.524 10 5 CHBERN Cc1ccc([C@H](C)Nc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000034990223 171915991 /nfs/dbraw/zinc/91/59/91/171915991.db2.gz YLCZBNRTIWIAEQ-VIFPVBQESA-N 0 0 264.256 3.808 10 5 CHBERN Cc1ccc([N+](=O)[O-])cc1NCCc1ccccc1 ZINC000035047051 171950904 /nfs/dbraw/zinc/95/09/04/171950904.db2.gz KJNZQNGVIVUCFY-UHFFFAOYSA-N 0 0 256.305 3.558 10 5 CHBERN C[C@H](Nc1ccc([N+](=O)[O-])c2ncccc12)c1ccco1 ZINC000035135145 172002458 /nfs/dbraw/zinc/00/24/58/172002458.db2.gz BQYCCEXMEYGOST-JTQLQIEISA-N 0 0 283.287 3.909 10 5 CHBERN C[C@@H](O)c1ccc(Oc2ccc(F)cc2F)c([N+](=O)[O-])c1 ZINC000035632017 172314263 /nfs/dbraw/zinc/31/42/63/172314263.db2.gz NQXWNGFUVCEBIX-MRVPVSSYSA-N 0 0 295.241 3.719 10 5 CHBERN C[C@@H](Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000037176954 173010583 /nfs/dbraw/zinc/01/05/83/173010583.db2.gz DIJPOVWMMVPGHK-SNVBAGLBSA-N 0 0 260.268 3.907 10 5 CHBERN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3CC=C[C@@H]32)c(Cl)c1 ZINC000037281697 173089787 /nfs/dbraw/zinc/08/97/87/173089787.db2.gz OMDPIDFNHMXFKF-DFAYQTQMSA-N 0 0 264.712 3.625 10 5 CHBERN CCc1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000037331709 173132557 /nfs/dbraw/zinc/13/25/57/173132557.db2.gz OAFUWEPGTSSJRA-UHFFFAOYSA-N 0 0 277.711 3.949 10 5 CHBERN Cc1c(Oc2ccc(C=O)cc2)cccc1[N+](=O)[O-] ZINC000038081597 174090349 /nfs/dbraw/zinc/09/03/49/174090349.db2.gz JEZCTOMMEBWSQO-UHFFFAOYSA-N 0 0 257.245 3.508 10 5 CHBERN Cc1ccc([C@H](C)Nc2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000038097850 174112583 /nfs/dbraw/zinc/11/25/83/174112583.db2.gz RREJJKLEWJCIMJ-VIFPVBQESA-N 0 0 264.256 3.808 10 5 CHBERN Cc1cc(C)cc(CNc2ccccc2[N+](=O)[O-])c1 ZINC000043393128 175034254 /nfs/dbraw/zinc/03/42/54/175034254.db2.gz QMYNNQQSXWZFCI-UHFFFAOYSA-N 0 0 256.305 3.824 10 5 CHBERN C[C@H](Cc1cccs1)Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000071272810 176105185 /nfs/dbraw/zinc/10/51/85/176105185.db2.gz YGJNKYGMFPCRSP-MRVPVSSYSA-N 0 0 297.767 3.748 10 5 CHBERN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)cc1F ZINC000088521391 260233066 /nfs/dbraw/zinc/23/30/66/260233066.db2.gz FJQXDWAUEMCLCK-JTQLQIEISA-N 0 0 275.283 3.610 10 5 CHBERN Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)cc1F ZINC000088521390 260233470 /nfs/dbraw/zinc/23/34/70/260233470.db2.gz FJQXDWAUEMCLCK-SNVBAGLBSA-N 0 0 275.283 3.610 10 5 CHBERN Cn1cccc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000050595859 260704150 /nfs/dbraw/zinc/70/41/50/260704150.db2.gz DXCAHQROYFATTJ-UHFFFAOYSA-N 0 0 299.252 3.564 10 5 CHBERN C[C@@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000390692803 262241450 /nfs/dbraw/zinc/24/14/50/262241450.db2.gz AJSFKROIQCDVAQ-ZDUSSCGKSA-N 0 0 286.331 3.612 10 5 CHBERN CC(=O)c1ccc(Sc2ccoc2C)c([N+](=O)[O-])c1 ZINC000163377723 264351255 /nfs/dbraw/zinc/35/12/55/264351255.db2.gz UOXMKRMVLPVCKJ-UHFFFAOYSA-N 0 0 277.301 3.850 10 5 CHBERN CCS[C@@H]1CC[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000230922183 264565113 /nfs/dbraw/zinc/56/51/13/264565113.db2.gz LOBYHRVLDYQLFX-VHSXEESVSA-N 0 0 284.356 3.820 10 5 CHBERN CCc1ccsc1CNc1cccc(F)c1[N+](=O)[O-] ZINC000094882743 327959039 /nfs/dbraw/zinc/95/90/39/327959039.db2.gz GMFLLIKLSGVENM-UHFFFAOYSA-N 0 0 280.324 3.970 10 5 CHBERN C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccc(F)c(F)c1 ZINC000195505966 331175649 /nfs/dbraw/zinc/17/56/49/331175649.db2.gz CGTFCCOUUATDAC-ZCFIWIBFSA-N 0 0 285.275 3.503 10 5 CHBERN Cc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000226546986 333264717 /nfs/dbraw/zinc/26/47/17/333264717.db2.gz HYPRUUMSQJULJP-MRVPVSSYSA-N 0 0 281.699 3.718 10 5 CHBERN CCS[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000230923033 333322770 /nfs/dbraw/zinc/32/27/70/333322770.db2.gz UYRSPZOBAGUWHJ-ZYHUDNBSSA-N 0 0 296.392 3.690 10 5 CHBERN CCC1CCC(Nc2nccc(C)c2[N+](=O)[O-])CC1 ZINC000070496076 333813575 /nfs/dbraw/zinc/81/35/75/333813575.db2.gz GWYYYSARCWQHDR-UHFFFAOYSA-N 0 0 263.341 3.679 10 5 CHBERN CCCNc1ccc([N+](=O)[O-])cc1CSCC ZINC000050833740 520172151 /nfs/dbraw/zinc/17/21/51/520172151.db2.gz IJBLYTVUHMXREW-UHFFFAOYSA-N 0 0 254.355 3.670 10 5 CHBERN CCCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000050888847 521006353 /nfs/dbraw/zinc/00/63/53/521006353.db2.gz LOMUWWRMCDYYQV-SECBINFHSA-N 0 0 284.743 3.557 10 5 CHBERN Cc1cc(CNc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000049686132 524792967 /nfs/dbraw/zinc/79/29/67/524792967.db2.gz OZUDSIGDTLOILX-UHFFFAOYSA-N 0 0 262.334 3.885 10 5 CHBERN Cc1cc(Oc2ccc([N+](=O)[O-])cc2N)ccc1Cl ZINC000052841721 525387589 /nfs/dbraw/zinc/38/75/89/525387589.db2.gz YVKMXKOFXOLGMO-UHFFFAOYSA-N 0 0 278.695 3.931 10 5 CHBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1ccsc1 ZINC000061364455 525578767 /nfs/dbraw/zinc/57/87/67/525578767.db2.gz LQPFVCLFESJYDU-VIFPVBQESA-N 0 0 263.322 3.533 10 5 CHBERN Nc1cc([N+](=O)[O-])ccc1Nc1ccccc1Cl ZINC000052840361 527461463 /nfs/dbraw/zinc/46/14/63/527461463.db2.gz NVDVDOHWPOPNSN-UHFFFAOYSA-N 0 0 263.684 3.574 10 5 CHBERN O=[N+]([O-])c1cnc2ccc(Cl)c(F)c2c1Cl ZINC000584882218 567883050 /nfs/dbraw/zinc/88/30/50/567883050.db2.gz UVKXVBSXYBOSSW-UHFFFAOYSA-N 0 0 261.039 3.589 10 5 CHBERN Cc1ccc(-c2cc(Cl)cnc2F)cc1[N+](=O)[O-] ZINC000725241471 567907715 /nfs/dbraw/zinc/90/77/15/567907715.db2.gz RZICTUXTUDMFGF-UHFFFAOYSA-N 0 0 266.659 3.758 10 5 CHBERN