smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1C(=O)NC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000004562292 210222102 /nfs/dbraw/zinc/22/21/02/210222102.db2.gz IBEKQYHBIWDWNB-UHFFFAOYSA-N 0 0 331.353 2.730 50 5 EFBARN Cc1cccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000019235022 202000926 /nfs/dbraw/zinc/00/09/26/202000926.db2.gz NHAVQFNGISNHCF-UHFFFAOYSA-N 0 0 339.395 2.861 50 5 EFBARN CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc([N+](=O)[O-])o1)C2=O ZINC000019323184 202003915 /nfs/dbraw/zinc/00/39/15/202003915.db2.gz WGXFRGMGMBNYCE-UHFFFAOYSA-N 0 0 347.415 2.685 50 5 biogenic EFBARN O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000019683094 202017439 /nfs/dbraw/zinc/01/74/39/202017439.db2.gz FBJIQVPIDVBFFK-UHFFFAOYSA-N 0 0 341.367 2.679 50 5 EFBARN O=C(c1ccccc1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000019774056 202019137 /nfs/dbraw/zinc/01/91/37/202019137.db2.gz MWMNDOGSFBADCC-UHFFFAOYSA-N 0 0 325.368 2.553 50 5 EFBARN Cc1ccc(CN2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000020367219 202039984 /nfs/dbraw/zinc/03/99/84/202039984.db2.gz WBVMVHNFXMZTQH-UHFFFAOYSA-N 0 0 339.395 2.861 50 5 EFBARN NC1=C([N+](=O)[O-])[C@@H](c2ccccc2)c2c(=O)oc3ccccc3c2O1 ZINC000004119325 283408987 /nfs/dbraw/zinc/40/89/87/283408987.db2.gz OHYHWPRFGKGDKU-ZDUSSCGKSA-N 0 0 336.303 2.722 50 5 EFBARN Cc1ccc(NC(=O)CCNC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000035673119 202308614 /nfs/dbraw/zinc/30/86/14/202308614.db2.gz WWJMJFUELBDHHU-UHFFFAOYSA-N 0 0 341.367 2.970 50 5 EFBARN COC(=O)[C@@H](CCSC)Nc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-] ZINC000003879711 291251685 /nfs/dbraw/zinc/25/16/85/291251685.db2.gz NGBNHLXIZOMLKU-SECBINFHSA-N 0 0 343.361 2.518 50 5 EFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000000092596 201433490 /nfs/dbraw/zinc/43/34/90/201433490.db2.gz JFLLFVAEUVXDLN-SECBINFHSA-N 0 0 338.307 2.558 50 5 EFBARN O=C(NC1CCCCCC1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000000376008 201465547 /nfs/dbraw/zinc/46/55/47/201465547.db2.gz OHYGCVGBUAAFHR-UHFFFAOYSA-N 0 0 332.360 2.885 50 5 EFBARN CC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@](O)(c2ccccc2)C1 ZINC000000436056 201473194 /nfs/dbraw/zinc/47/31/94/201473194.db2.gz HYFAVSSJUUIBLV-QGZVFWFLSA-N 0 0 325.324 2.662 50 5 EFBARN O=C(Nc1ccccc1F)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000000291471 201457262 /nfs/dbraw/zinc/45/72/62/201457262.db2.gz AMYZPNZMZKFVBN-NSHDSACASA-N 0 0 343.314 2.726 50 5 EFBARN Cc1nn(C)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000001002057 201495954 /nfs/dbraw/zinc/49/59/54/201495954.db2.gz FEWLUAMDALALCA-UHFFFAOYSA-N 0 0 344.249 2.788 50 5 EFBARN CC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000001068462 201497537 /nfs/dbraw/zinc/49/75/37/201497537.db2.gz HONPLVHPTRXIOF-NSHDSACASA-N 0 0 345.359 2.566 50 5 EFBARN O=[N+]([O-])c1ccc(S(=O)(=O)c2cccc(C(F)(F)F)c2)nc1 ZINC000000481376 201479349 /nfs/dbraw/zinc/47/93/49/201479349.db2.gz HIIFGFBAURJFDP-UHFFFAOYSA-N 0 0 332.259 2.841 50 5 EFBARN O=C(COc1ccccc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F ZINC000000503211 201481926 /nfs/dbraw/zinc/48/19/26/201481926.db2.gz RETJOIUGECPFIV-UHFFFAOYSA-N 0 0 349.343 2.626 50 5 EFBARN CC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccccc2)C1 ZINC000000508250 201482130 /nfs/dbraw/zinc/48/21/30/201482130.db2.gz BXAVAUYABSYMLW-GOSISDBHSA-N 0 0 339.351 2.591 50 5 EFBARN Cn1c(CCNC(=O)c2ccc(F)cc2)nc2cc([N+](=O)[O-])ccc21 ZINC000001432606 201509164 /nfs/dbraw/zinc/50/91/64/201509164.db2.gz QRNBGPKBPFILOJ-UHFFFAOYSA-N 0 0 342.330 2.593 50 5 EFBARN Cc1nc(-c2ccc([N+](=O)[O-])cc2)nn1CNC(=O)c1ccccc1 ZINC000001512440 201511451 /nfs/dbraw/zinc/51/14/51/201511451.db2.gz HTVXUJQOZMPXHI-UHFFFAOYSA-N 0 0 337.339 2.549 50 5 EFBARN O=C(Nc1nccs1)c1ccccc1Cn1cc([N+](=O)[O-])cn1 ZINC000002794164 201546438 /nfs/dbraw/zinc/54/64/38/201546438.db2.gz FPAVKRMDROTKNM-UHFFFAOYSA-N 0 0 329.341 2.548 50 5 EFBARN COc1ccccc1OCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000003073500 201555973 /nfs/dbraw/zinc/55/59/73/201555973.db2.gz NLLDMLGXSOHBPG-DHZHZOJOSA-N 0 0 342.351 2.812 50 5 biogenic EFBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1 ZINC000002864289 201549460 /nfs/dbraw/zinc/54/94/60/201549460.db2.gz NAMDWVSQIXGFDM-UHFFFAOYSA-N 0 0 344.458 2.939 50 5 EFBARN Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000003616941 201578268 /nfs/dbraw/zinc/57/82/68/201578268.db2.gz SYTFMQWENMLPIQ-UHFFFAOYSA-N 0 0 345.311 2.620 50 5 EFBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1ccccc1Cl ZINC000004414335 201601051 /nfs/dbraw/zinc/60/10/51/201601051.db2.gz VKWASNISQCZKDC-UHFFFAOYSA-N 0 0 337.744 2.809 50 5 EFBARN COc1ccc(NC(=O)c2cc(OC)cc(OC)c2)c([N+](=O)[O-])c1 ZINC000004071176 201587972 /nfs/dbraw/zinc/58/79/72/201587972.db2.gz WKQWZDLFCWLZDC-UHFFFAOYSA-N 0 0 332.312 2.873 50 5 EFBARN CNc1nc(Nc2ccc(Br)cc2)nc(N)c1[N+](=O)[O-] ZINC000004140237 201591049 /nfs/dbraw/zinc/59/10/49/201591049.db2.gz INRAOEVJPARFFI-UHFFFAOYSA-N 0 0 339.153 2.515 50 5 aggregator EFBARN Cc1ccc(C)c(OC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 ZINC000004134281 201591239 /nfs/dbraw/zinc/59/12/39/201591239.db2.gz NOKFUTFURWKNPJ-UHFFFAOYSA-N 0 0 332.337 2.740 50 5 EFBARN COc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000004842297 201622056 /nfs/dbraw/zinc/62/20/56/201622056.db2.gz VHRNCGCFIXZYSW-UHFFFAOYSA-N 0 0 330.296 2.627 50 5 EFBARN COCCNc1ccc(C(=O)Nc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000005064534 201637072 /nfs/dbraw/zinc/63/70/72/201637072.db2.gz GNHSQZHWBLBNQJ-UHFFFAOYSA-N 0 0 345.355 2.914 50 5 EFBARN CNc1nn(C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000005209326 201642207 /nfs/dbraw/zinc/64/22/07/201642207.db2.gz NXKFZMZWMDAZIN-UHFFFAOYSA-N 0 0 329.238 2.932 50 5 EFBARN O=[N+]([O-])c1ccc(-c2nn3c(CN4CCCCC4)nnc3s2)cc1 ZINC000071260521 203088348 /nfs/dbraw/zinc/08/83/48/203088348.db2.gz GVJSJKYEGSJSJJ-UHFFFAOYSA-N 0 0 344.400 2.747 50 5 EFBARN CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1ccccc1Cl ZINC000071767349 203112053 /nfs/dbraw/zinc/11/20/53/203112053.db2.gz FPXPBEULMNKNRQ-SSZFMOIBSA-N 0 0 340.792 2.790 50 5 EFBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000102105833 204032367 /nfs/dbraw/zinc/03/23/67/204032367.db2.gz ZRVLRHOWKLIQPJ-UHFFFAOYSA-N 0 0 332.228 2.664 50 5 EFBARN COC(=O)[C@H](CCSC)Nc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-] ZINC000003879710 284276168 /nfs/dbraw/zinc/27/61/68/284276168.db2.gz NGBNHLXIZOMLKU-VIFPVBQESA-N 0 0 343.361 2.518 50 5 EFBARN C[C@@H]1C[C@H](C)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000016425415 211903705 /nfs/dbraw/zinc/90/37/05/211903705.db2.gz DMHYHMHYHDBQLI-PHIMTYICSA-N 0 0 330.340 2.819 50 5 EFBARN O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCOCC1 ZINC000000358355 205438560 /nfs/dbraw/zinc/43/85/60/205438560.db2.gz UTMWUTFEISJWHE-SOFGYWHQSA-N 0 0 328.324 2.727 50 5 EFBARN O=Cc1ccc([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)c1 ZINC000095081157 285033113 /nfs/dbraw/zinc/03/31/13/285033113.db2.gz FINIKPJHXJNTCE-UHFFFAOYSA-N 0 0 325.368 2.730 50 5 EFBARN O=Cc1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000052537356 285032385 /nfs/dbraw/zinc/03/23/85/285032385.db2.gz AVJTYGUQJUPCJA-UHFFFAOYSA-N 0 0 325.368 2.730 50 5 EFBARN O=[N+]([O-])c1ccc(C2=Nn3nnc(C(F)(F)F)c3SC2)cc1 ZINC000005894630 285110588 /nfs/dbraw/zinc/11/05/88/285110588.db2.gz RRIBNTYOFJWELP-UHFFFAOYSA-N 0 0 329.263 2.563 50 5 EFBARN O=c1[nH]c(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc2ccccc21 ZINC000005028302 285193557 /nfs/dbraw/zinc/19/35/57/285193557.db2.gz WWUDIXKZGGLNRJ-UHFFFAOYSA-N 0 0 335.275 2.605 50 5 EFBARN Cc1ccc(C)c(OC(=O)C=S([O-])c2ccccc2[N+](=O)[O-])c1 ZINC000004387507 544420754 /nfs/dbraw/zinc/42/07/54/544420754.db2.gz MHGVIMPHYXCORW-QHCPKHFHSA-N 0 0 333.365 2.925 50 5 EFBARN O=C(Nc1cc2c3c(c1)CCCN3C(=O)C2)c1ccc([N+](=O)[O-])cc1 ZINC000004850528 274996526 /nfs/dbraw/zinc/99/65/26/274996526.db2.gz KPSJXMZMHKGWCA-UHFFFAOYSA-N 0 0 337.335 2.682 50 5 EFBARN O=C1c2cccc(Cl)c2C(=O)N1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003099609 275031123 /nfs/dbraw/zinc/03/11/23/275031123.db2.gz DGRRQTFUFYFMRQ-UHFFFAOYSA-N 0 0 347.670 2.957 50 5 EFBARN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000095682051 275033897 /nfs/dbraw/zinc/03/38/97/275033897.db2.gz BFIMWJCWLWGDOF-UHFFFAOYSA-N 0 0 346.211 2.891 50 5 EFBARN CC(C)(C)OC(=O)N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000067800459 275825122 /nfs/dbraw/zinc/82/51/22/275825122.db2.gz GWHUVEIGDXIWOY-UHFFFAOYSA-N 0 0 325.340 2.791 50 5 EFBARN CC1CCN(c2nc(Nc3ccccc3)nc(N)c2[N+](=O)[O-])CC1 ZINC000009359770 275942885 /nfs/dbraw/zinc/94/28/85/275942885.db2.gz SYDZHWBJRGOQQD-UHFFFAOYSA-N 0 0 328.376 2.947 50 5 EFBARN COc1ccc2c(c1)oc1nc(C)n(-c3ccccc3)c(=O)c1c2=O ZINC000002199794 277447526 /nfs/dbraw/zinc/44/75/26/277447526.db2.gz KCTPXPZZQFEXKP-UHFFFAOYSA-N 0 0 334.331 2.809 50 5 EFBARN Cc1nn([C@H](C)C(=O)N2CCCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000001068512 279216337 /nfs/dbraw/zinc/21/63/37/279216337.db2.gz KUAFTSNQOQQASR-CYBMUJFWSA-N 0 0 328.372 2.949 50 5 EFBARN Nc1c(I)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000043828065 279694875 /nfs/dbraw/zinc/69/48/75/279694875.db2.gz XVVSZOLVVQYKIK-UHFFFAOYSA-N 0 0 332.019 2.800 50 5 EFBARN O=C1CS[C@@H](c2ccccc2)N1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000000191465 471332355 /nfs/dbraw/zinc/33/23/55/471332355.db2.gz MGXILCXZIMQAAN-RDJZCZTQSA-N 0 0 344.392 2.902 50 5 EFBARN COc1c(OC)c2oc(=O)c(Br)c(C)c2cc1[N+](=O)[O-] ZINC000000300861 471344498 /nfs/dbraw/zinc/34/44/98/471344498.db2.gz DJINJBITQRZDOC-UHFFFAOYSA-N 0 0 344.117 2.789 50 5 EFBARN CC(=O)Oc1ccc(C)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000313105 471347204 /nfs/dbraw/zinc/34/72/04/471347204.db2.gz IXGCHWFZAQTUAY-UHFFFAOYSA-N 0 0 340.291 2.629 50 5 EFBARN COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000000315340 471347445 /nfs/dbraw/zinc/34/74/45/471347445.db2.gz KNDDEYSGQBLTQI-UHFFFAOYSA-N 0 0 346.339 2.802 50 5 EFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NC1C2CC3CC(C2)CC1C3 ZINC000000318715 471348591 /nfs/dbraw/zinc/34/85/91/471348591.db2.gz SKAQLISSQMFFJU-UHFFFAOYSA-N 0 0 336.413 2.698 50 5 EFBARN C[C@@H](NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)c1ccccc1 ZINC000000371601 471351394 /nfs/dbraw/zinc/35/13/94/471351394.db2.gz VFIALPUYBASCKA-GFCCVEGCSA-N 0 0 340.339 2.924 50 5 EFBARN COc1cc(C(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000000445377 471360861 /nfs/dbraw/zinc/36/08/61/471360861.db2.gz QPSXECWWMMAIQN-UHFFFAOYSA-N 0 0 330.340 2.884 50 5 EFBARN O=C(COc1ccccc1[N+](=O)[O-])NC1C2CC3CC(C2)CC1C3 ZINC000000470356 471364533 /nfs/dbraw/zinc/36/45/33/471364533.db2.gz KGYRMSXRCBZASM-UHFFFAOYSA-N 0 0 330.384 2.915 50 5 EFBARN COc1cc2c(cc1OC)CN(C(=O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000000502598 471366477 /nfs/dbraw/zinc/36/64/77/471366477.db2.gz HYDSKQYNOKIXRH-UHFFFAOYSA-N 0 0 342.351 2.811 50 5 EFBARN Cc1cccc(C)c1NC(=O)[C@@H](NC=O)c1cccc([N+](=O)[O-])c1 ZINC000000499972 471366709 /nfs/dbraw/zinc/36/67/09/471366709.db2.gz YFMKMEDUNMTROK-INIZCTEOSA-N 0 0 327.340 2.637 50 5 EFBARN Cc1cccc(-n2c3ccccc3cc3c(=O)n(C)c(=O)nc2-3)c1C ZINC000000522717 471367254 /nfs/dbraw/zinc/36/72/54/471367254.db2.gz LCYREDCLAMVDAC-UHFFFAOYSA-N 0 0 331.375 2.806 50 5 EFBARN NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000513622 471367701 /nfs/dbraw/zinc/36/77/01/471367701.db2.gz BTNLABUVKSQUSV-SOFGYWHQSA-N 0 0 345.742 2.999 50 5 EFBARN CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000000523427 471368170 /nfs/dbraw/zinc/36/81/70/471368170.db2.gz IAMIPEILBNVEOT-ZDUSSCGKSA-N 0 0 333.344 2.564 50 5 EFBARN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCOCC1 ZINC000000539595 471370029 /nfs/dbraw/zinc/37/00/29/471370029.db2.gz KLAQNCVNXUTFQR-UHFFFAOYSA-N 0 0 336.731 2.981 50 5 EFBARN O=C(CCC(=O)Nc1cccc([N+](=O)[O-])c1)NCc1ccccc1 ZINC000000611081 471374191 /nfs/dbraw/zinc/37/41/91/471374191.db2.gz DQVBNJFGLMKODK-UHFFFAOYSA-N 0 0 327.340 2.630 50 5 EFBARN O=C(CCSc1c(Cl)cccc1[N+](=O)[O-])N1CCOCC1 ZINC000000621210 471375267 /nfs/dbraw/zinc/37/52/67/471375267.db2.gz AIGBQXQFXKKZMC-UHFFFAOYSA-N 0 0 330.793 2.589 50 5 EFBARN O=C(NCc1cccs1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000001056265 471380114 /nfs/dbraw/zinc/38/01/14/471380114.db2.gz SNQLRZIEKYHPQM-UHFFFAOYSA-N 0 0 330.321 2.693 50 5 EFBARN O=[N+]([O-])c1ccc(-c2cc[nH]n2)cc1CS(=O)(=O)c1ccccc1 ZINC000001388724 471388196 /nfs/dbraw/zinc/38/81/96/471388196.db2.gz INSWQIAJPZTKJK-UHFFFAOYSA-N 0 0 343.364 2.959 50 5 EFBARN CS(=O)(=O)c1ccccc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000001397987 471389634 /nfs/dbraw/zinc/38/96/34/471389634.db2.gz IQOTUNFRBZLVEJ-UHFFFAOYSA-N 0 0 345.336 2.715 50 5 EFBARN O=C(O[C@@H]1COCO[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000001426664 471390838 /nfs/dbraw/zinc/39/08/38/471390838.db2.gz CAAXJCGGRSFIBJ-TZMCWYRMSA-N 0 0 335.337 2.927 50 5 EFBARN Cc1cc(-c2noc(Cn3cc([N+](=O)[O-])cn3)n2)c2ccccc2n1 ZINC000001426798 471391117 /nfs/dbraw/zinc/39/11/17/471391117.db2.gz APTDJHUTGJVIKW-UHFFFAOYSA-N 0 0 336.311 2.746 50 5 EFBARN O=C(O[C@H]1COCO[C@@H]1c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000001426663 471391289 /nfs/dbraw/zinc/39/12/89/471391289.db2.gz CAAXJCGGRSFIBJ-GXTWGEPZSA-N 0 0 335.337 2.927 50 5 EFBARN O=C(Nc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001781064 471397398 /nfs/dbraw/zinc/39/73/98/471397398.db2.gz OYJCDYNEXOROKW-UHFFFAOYSA-N 0 0 345.267 2.527 50 5 EFBARN COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1 ZINC000002102484 471401430 /nfs/dbraw/zinc/40/14/30/471401430.db2.gz GGYGRQYICITPSK-UHFFFAOYSA-N 0 0 331.284 2.693 50 5 EFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000002063423 471401476 /nfs/dbraw/zinc/40/14/76/471401476.db2.gz SFGJSNBTMWXNBL-UHFFFAOYSA-N 0 0 331.284 2.693 50 5 EFBARN CC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000002068919 471401597 /nfs/dbraw/zinc/40/15/97/471401597.db2.gz XUWVSYOTORTBCK-UHFFFAOYSA-N 0 0 344.283 2.714 50 5 EFBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCc1ccccc1 ZINC000002512849 471409997 /nfs/dbraw/zinc/40/99/97/471409997.db2.gz YFXPMWNEZSIYDW-UHFFFAOYSA-N 0 0 340.788 2.769 50 5 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COc1cccc(OC)c1C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004611357 210231556 /nfs/dbraw/zinc/23/15/56/210231556.db2.gz UWRTZPZWGCWPHW-UHFFFAOYSA-N 0 0 347.283 2.773 50 5 EFBARN CNC(=O)c1c(C)c(C)sc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000004570414 210223531 /nfs/dbraw/zinc/22/35/31/210223531.db2.gz QTEIQZQQSLLMMI-UHFFFAOYSA-N 0 0 339.398 2.947 50 5 EFBARN O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000004548628 210219419 /nfs/dbraw/zinc/21/94/19/210219419.db2.gz AWPDPAWTNIYYOO-LCYFTJDESA-N 0 0 339.263 2.848 50 5 EFBARN CCOC(=O)C(C=Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCC ZINC000100285163 219095977 /nfs/dbraw/zinc/09/59/77/219095977.db2.gz HLSFTHUHGYPULT-UHFFFAOYSA-N 0 0 342.735 2.670 50 5 EFBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)c1 ZINC000004476903 210196517 /nfs/dbraw/zinc/19/65/17/210196517.db2.gz KYFNDZKGBWQQJH-MRXNPFEDSA-N 0 0 347.396 2.906 50 5 biogenic EFBARN CCOc1ccccc1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 ZINC000004455680 210193416 /nfs/dbraw/zinc/19/34/16/210193416.db2.gz RXDWOGVGOSYAMT-UHFFFAOYSA-N 0 0 347.352 2.555 50 5 EFBARN COCCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)C(C)(C)C ZINC000100872708 219110501 /nfs/dbraw/zinc/11/05/01/219110501.db2.gz PPBJRDPHVMWSGG-PEZBUJJGSA-N 0 0 337.401 2.731 50 5 EFBARN CC(=O)Nc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000004371975 210182422 /nfs/dbraw/zinc/18/24/22/210182422.db2.gz JXZXJHWSQKISBZ-UHFFFAOYSA-N 0 0 349.368 2.700 50 5 in-vitro EFBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1cccc(Cl)c1 ZINC000004372951 210181435 /nfs/dbraw/zinc/18/14/35/210181435.db2.gz NVHGWODQAURQLD-UHFFFAOYSA-N 0 0 337.744 2.809 50 5 EFBARN CCOc1ccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1 ZINC000004359573 210180802 /nfs/dbraw/zinc/18/08/02/210180802.db2.gz HCPVQVOKZCHMGE-UHFFFAOYSA-N 0 0 347.352 2.555 50 5 EFBARN O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)Cc2ccccc2)cc1 ZINC000004359157 210179830 /nfs/dbraw/zinc/17/98/30/210179830.db2.gz HOLVJBMUQNXEGG-UHFFFAOYSA-N 0 0 349.412 2.516 50 5 EFBARN CCCc1cc(=O)[nH]c2nnc(SCc3ccc([N+](=O)[O-])cc3)n21 ZINC000004250244 210152455 /nfs/dbraw/zinc/15/24/55/210152455.db2.gz QMGCZMXLGKVXDY-UHFFFAOYSA-N 0 0 345.384 2.983 50 5 EFBARN Cc1cc(OC(=O)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248384 210151789 /nfs/dbraw/zinc/15/17/89/210151789.db2.gz MXULEUHRIHWNHM-UHFFFAOYSA-N 0 0 342.229 2.830 50 5 EFBARN CCCCOc1ccc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000004248348 210150885 /nfs/dbraw/zinc/15/08/85/210150885.db2.gz CIKWDBPIALWUAM-UHFFFAOYSA-N 0 0 346.339 2.990 50 5 EFBARN COc1cc(C(=O)N2CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000004121081 210125982 /nfs/dbraw/zinc/12/59/82/210125982.db2.gz PEZCNBSJEGWHNE-UHFFFAOYSA-N 0 0 328.324 2.815 50 5 EFBARN COc1ccc(C2=NN(C(C)=O)C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000004078500 210114116 /nfs/dbraw/zinc/11/41/16/210114116.db2.gz GWCIFNZZWPFBNN-QGZVFWFLSA-N 0 0 339.351 2.953 50 5 EFBARN COc1ccc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000003958666 210095181 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Cc1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000000063411 209395846 /nfs/dbraw/zinc/39/58/46/209395846.db2.gz WGUNYQZWEYGYBM-AWEZNQCLSA-N 0 0 340.339 2.665 50 5 EFBARN COC(=O)c1cc(C(=O)Nc2ccccc2OC)cc([N+](=O)[O-])c1 ZINC000000060843 209394913 /nfs/dbraw/zinc/39/49/13/209394913.db2.gz NSYYUZAXZYDERJ-UHFFFAOYSA-N 0 0 330.296 2.642 50 5 EFBARN Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000000060144 209394535 /nfs/dbraw/zinc/39/45/35/209394535.db2.gz DPVQKIKQURLBTJ-CYBMUJFWSA-N 0 0 339.351 2.895 50 5 EFBARN O=C(Cc1ccccc1[N+](=O)[O-])Oc1cc(=O)oc2ccccc12 ZINC000000042972 209386604 /nfs/dbraw/zinc/38/66/04/209386604.db2.gz NGRTYOBJNUCIHB-UHFFFAOYSA-N 0 0 325.276 2.849 50 5 EFBARN CCN(CC)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000020265998 212114878 /nfs/dbraw/zinc/11/48/78/212114878.db2.gz AIDMDSVQVCZZEW-UKTHLTGXSA-N 0 0 335.385 2.930 50 5 EFBARN O=C(CSc1nc[nH]n1)Nc1c2ccccc2nc2ccccc21 ZINC000019849992 212076278 /nfs/dbraw/zinc/07/62/78/212076278.db2.gz 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CO[C@](F)(C(=O)Oc1cc([N+](=O)[O-])cc2cccnc21)C(F)(F)F ZINC000003672578 210073814 /nfs/dbraw/zinc/07/38/14/210073814.db2.gz LTJWGAITRHDDBQ-GFCCVEGCSA-N 0 0 348.208 2.923 50 5 EFBARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000102582265 219212633 /nfs/dbraw/zinc/21/26/33/219212633.db2.gz URMHWACRBKBXAZ-RYUDHWBXSA-N 0 0 329.316 2.603 50 5 EFBARN O=[N+]([O-])c1ccccc1OCCOCCOc1ccccc1[N+](=O)[O-] ZINC000003114392 209965569 /nfs/dbraw/zinc/96/55/69/209965569.db2.gz LXYSDLCOBFQJMX-UHFFFAOYSA-N 0 0 348.311 2.977 50 5 EFBARN COCCn1c(=O)c2c(=O)c3ccccc3oc2nc1-c1ccccc1 ZINC000002198478 209829587 /nfs/dbraw/zinc/82/95/87/209829587.db2.gz LIHRWPRKDSGLTB-UHFFFAOYSA-N 0 0 348.358 2.816 50 5 EFBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001428937 209748424 /nfs/dbraw/zinc/74/84/24/209748424.db2.gz HCZCGJCMBCSFDO-UHFFFAOYSA-N 0 0 328.250 2.757 50 5 EFBARN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000001053569 209705152 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Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000019879101 212078160 /nfs/dbraw/zinc/07/81/60/212078160.db2.gz YHAWVWZXADIPRF-UHFFFAOYSA-N 0 0 339.395 2.861 50 5 EFBARN O=C(c1ccccc1F)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000019773533 212064127 /nfs/dbraw/zinc/06/41/27/212064127.db2.gz GOBMUSUTNILQCE-UHFFFAOYSA-N 0 0 343.358 2.692 50 5 EFBARN O=C1COc2cc([N+](=O)[O-])ccc2N1CCCOc1ccccc1 ZINC000019772417 212064015 /nfs/dbraw/zinc/06/40/15/212064015.db2.gz VPIVEFXYQQSDMI-UHFFFAOYSA-N 0 0 328.324 2.789 50 5 EFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000019293858 212012543 /nfs/dbraw/zinc/01/25/43/212012543.db2.gz VZXXIWRGSIIAES-UHFFFAOYSA-N 0 0 343.358 2.692 50 5 EFBARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 ZINC000017071815 211953154 /nfs/dbraw/zinc/95/31/54/211953154.db2.gz UOAGXQWJYSFNSO-OAHLLOKOSA-N 0 0 344.367 2.958 50 5 EFBARN COc1ccc(NC(=O)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000012420911 211374532 /nfs/dbraw/zinc/37/45/32/211374532.db2.gz JOMFKECMUKJALA-UHFFFAOYSA-N 0 0 339.307 2.906 50 5 EFBARN O=C(NC[C@H]1COC2(CCCC2)O1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000010220480 211154934 /nfs/dbraw/zinc/15/49/34/211154934.db2.gz NSRXSNXGRQGNOE-NSHDSACASA-N 0 0 340.763 2.664 50 5 EFBARN Cc1cc(C(=O)NC[C@@H]2COC3(CCCCC3)O2)ccc1[N+](=O)[O-] ZINC000010220437 211154272 /nfs/dbraw/zinc/15/42/72/211154272.db2.gz VNRRIRHKYZAUPU-CQSZACIVSA-N 0 0 334.372 2.709 50 5 EFBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000008816083 211008803 /nfs/dbraw/zinc/00/88/03/211008803.db2.gz ZDHVOMOLQXMLHT-NSHDSACASA-N 0 0 349.362 2.854 50 5 EFBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000008816438 211008651 /nfs/dbraw/zinc/00/86/51/211008651.db2.gz GIXRWIHUWZDICM-NSHDSACASA-N 0 0 349.362 2.854 50 5 EFBARN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000005439726 210462409 /nfs/dbraw/zinc/46/24/09/210462409.db2.gz XFJCWGMPRDZDQI-UHFFFAOYSA-N 0 0 325.324 2.974 50 5 EFBARN CCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000005139146 210398562 /nfs/dbraw/zinc/39/85/62/210398562.db2.gz UMKANAFDOQQUKE-UHFFFAOYSA-N 0 0 345.377 2.533 50 5 in-vitro EFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc2c(c1)OCO2 ZINC000005041663 210371815 /nfs/dbraw/zinc/37/18/15/210371815.db2.gz LFWJDXOPGSFUEJ-UHFFFAOYSA-N 0 0 345.311 2.654 50 5 EFBARN COc1ccc(NC(=O)CSCCc2ccccn2)c([N+](=O)[O-])c1 ZINC000005034043 210370453 /nfs/dbraw/zinc/37/04/53/210370453.db2.gz ANPQXCIIEINHOI-UHFFFAOYSA-N 0 0 347.396 2.913 50 5 EFBARN CCOc1ccc(Nc2nc(N(CC)CC)nc(N)c2[N+](=O)[O-])cc1 ZINC000005030108 210366523 /nfs/dbraw/zinc/36/65/23/210366523.db2.gz CAGYMNBZYKJEPF-UHFFFAOYSA-N 0 0 346.391 2.956 50 5 EFBARN COc1ccc(NC(=O)CSc2nc(C)cc(C)n2)c([N+](=O)[O-])c1 ZINC000004976357 210346579 /nfs/dbraw/zinc/34/65/79/210346579.db2.gz AHGYZQNMLUGDMU-UHFFFAOYSA-N 0 0 348.384 2.741 50 5 EFBARN Cc1ccc([N+](=O)[O-])c(OCCn2cnc3ccccc3c2=O)c1 ZINC000004869153 210308585 /nfs/dbraw/zinc/30/85/85/210308585.db2.gz ODVBDDCTGKELQZ-UHFFFAOYSA-N 0 0 325.324 2.692 50 5 EFBARN O=[N+]([O-])c1ccc([C@H]2O[C@@H](c3ccc([N+](=O)[O-])cc3)OC[C@@H]2O)cc1 ZINC000003901136 285139485 /nfs/dbraw/zinc/13/94/85/285139485.db2.gz QVVFGNQCCALSJP-XHSDSOJGSA-N 0 0 346.295 2.651 50 5 EFBARN O=c1nc2sccn2c2cc(N3CCCCC3)c([N+](=O)[O-])cc12 ZINC000004709602 285226820 /nfs/dbraw/zinc/22/68/20/285226820.db2.gz WISMGOOWIWXSFM-UHFFFAOYSA-N 0 0 330.369 2.808 50 5 EFBARN CC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(C)onc2C[C@]1(C)O ZINC000104075954 258004183 /nfs/dbraw/zinc/00/41/83/258004183.db2.gz SWOGYRFXTLHBDV-BBWFWOEESA-N 0 0 330.340 2.535 50 5 EFBARN C[C@@H]1Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2NC1=O ZINC000021601052 258057003 /nfs/dbraw/zinc/05/70/03/258057003.db2.gz LOWLURKTAHILJD-VIFPVBQESA-N 0 0 327.296 2.567 50 5 EFBARN COc1ccc2c(c1)s/c(=N/C(=O)c1ccc([N+](=O)[O-])s1)n2C ZINC000012139811 533313292 /nfs/dbraw/zinc/31/32/92/533313292.db2.gz UHXRUNJXAFQTJN-CCEZHUSRSA-N 0 0 349.393 2.959 50 5 EFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000000117394 135645087 /nfs/dbraw/zinc/64/50/87/135645087.db2.gz XPOKLETXHYWLTJ-MDZDMXLPSA-N 0 0 337.379 2.957 50 5 EFBARN Cc1c(C(=O)Nc2ccccc2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000000473977 135651089 /nfs/dbraw/zinc/65/10/89/135651089.db2.gz ZTNUFMOKDZCBMT-UHFFFAOYSA-N 0 0 341.367 2.992 50 5 EFBARN O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000003904569 135661403 /nfs/dbraw/zinc/66/14/03/135661403.db2.gz QHOJZFXYSSOYSC-UHFFFAOYSA-N 0 0 335.360 2.758 50 5 EFBARN Nc1nc(N2CCCCC2)nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000005055057 135669574 /nfs/dbraw/zinc/66/95/74/135669574.db2.gz QTCSMOJNRNUHSW-UHFFFAOYSA-N 0 0 328.376 2.569 50 5 EFBARN Cc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000006388646 135674396 /nfs/dbraw/zinc/67/43/96/135674396.db2.gz OWRHVOWWJJOXQE-UHFFFAOYSA-N 0 0 325.368 2.866 50 5 EFBARN Cc1cc(C)nc(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000000453323 544419813 /nfs/dbraw/zinc/41/98/13/544419813.db2.gz UVADKUNEJLYWJR-UHFFFAOYSA-N 0 0 339.398 2.556 50 5 EFBARN CC(C)OC(=O)C=S([O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004819552 544420778 /nfs/dbraw/zinc/42/07/78/544420778.db2.gz INWSNHNSNKURDR-JOCHJYFZSA-N 0 0 339.291 2.673 50 5 EFBARN CC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000078575629 275503990 /nfs/dbraw/zinc/50/39/90/275503990.db2.gz HPBTYPOTYIAKEE-UHFFFAOYSA-N 0 0 349.387 2.855 50 5 EFBARN CC1CCN(c2nc(N3C[C@H](C)C[C@@H](C)C3)nc(N)c2[N+](=O)[O-])CC1 ZINC000005218463 275942635 /nfs/dbraw/zinc/94/26/35/275942635.db2.gz RPAAPIRCXFESGN-CHWSQXEVSA-N 0 0 348.451 2.686 50 5 EFBARN COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000018194473 277389633 /nfs/dbraw/zinc/38/96/33/277389633.db2.gz TVORATJUDITFHY-MNOVXSKESA-N 0 0 336.731 2.626 50 5 EFBARN COc1ccc2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2c1 ZINC000014648847 278005470 /nfs/dbraw/zinc/00/54/70/278005470.db2.gz MIPXRVRWIMVNPA-UHFFFAOYSA-N 0 0 332.308 2.686 50 5 biogenic,in-vitro EFBARN CC(C)(C)OC(=O)N1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000029753782 278386027 /nfs/dbraw/zinc/38/60/27/278386027.db2.gz PNIQRWMAHWHARE-UHFFFAOYSA-N 0 0 335.360 2.983 50 5 EFBARN Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(N3CCCCC3)n2)cc1 ZINC000004305970 280834817 /nfs/dbraw/zinc/83/48/17/280834817.db2.gz JQOMVKAZFAJGDV-UHFFFAOYSA-N 0 0 342.403 2.878 50 5 EFBARN CCn1c2ccccc2c(N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1=O ZINC000018191928 281613919 /nfs/dbraw/zinc/61/39/19/281613919.db2.gz ROIBSINOSDLAPF-TXEJJXNPSA-N 0 0 331.372 2.543 50 5 EFBARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1C ZINC000000178967 281656656 /nfs/dbraw/zinc/65/66/56/281656656.db2.gz IOIASGLGMRVEAW-CQSZACIVSA-N 0 0 333.344 2.517 50 5 EFBARN Cc1sc2c(c1C)C(=O)N[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)N2 ZINC000004501932 294078961 /nfs/dbraw/zinc/07/89/61/294078961.db2.gz BAFQZHWZASALAK-CYBMUJFWSA-N 0 0 347.352 2.856 50 5 EFBARN C[C@@]1(O)CC(c2ccccc2)=NN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000005781188 297919377 /nfs/dbraw/zinc/91/93/77/297919377.db2.gz PTFVDIZPABTMQC-QGZVFWFLSA-N 0 0 325.324 2.554 50 5 EFBARN CCOC(=O)[C@H](Cc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000149303221 473326447 /nfs/dbraw/zinc/32/64/47/473326447.db2.gz PVELRGGHRVALPS-ZDUSSCGKSA-N 0 0 338.360 2.594 50 5 EFBARN COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000036543 471318209 /nfs/dbraw/zinc/31/82/09/471318209.db2.gz KDOHTODTTGVPNS-UHFFFAOYSA-N 0 0 330.340 2.585 50 5 EFBARN O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000000058914 471318652 /nfs/dbraw/zinc/31/86/52/471318652.db2.gz BBCGJUKZDKOSQB-NTUHNPAUSA-N 0 0 338.275 2.668 50 5 EFBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000000101161 471322777 /nfs/dbraw/zinc/32/27/77/471322777.db2.gz FKGASZQZQFCFGC-AWEZNQCLSA-N 0 0 339.351 2.582 50 5 EFBARN COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1[N+](=O)[O-] ZINC000000103368 471323271 /nfs/dbraw/zinc/32/32/71/471323271.db2.gz UKDUGVJMOKCXLX-UHFFFAOYSA-N 0 0 329.312 2.814 50 5 EFBARN COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000000108709 471324406 /nfs/dbraw/zinc/32/44/06/471324406.db2.gz MXEYTEXGHTXORX-UHFFFAOYSA-N 0 0 330.296 2.627 50 5 EFBARN Cc1cccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)c1C ZINC000000113849 471324954 /nfs/dbraw/zinc/32/49/54/471324954.db2.gz GMZBMDOUZLUAMY-UHFFFAOYSA-N 0 0 339.149 2.950 50 5 EFBARN CCOC(=O)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000000115686 471325538 /nfs/dbraw/zinc/32/55/38/471325538.db2.gz YBZRNXCDGYWUIV-UHFFFAOYSA-N 0 0 344.323 2.789 50 5 EFBARN O=C1CS[C@H](c2ccccc2)N1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000000191468 471332309 /nfs/dbraw/zinc/33/23/09/471332309.db2.gz MGXILCXZIMQAAN-DOTOQJQBSA-N 0 0 344.392 2.902 50 5 EFBARN O=C1CS[C@@H](c2ccccc2)N1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000000191470 471332956 /nfs/dbraw/zinc/33/29/56/471332956.db2.gz MGXILCXZIMQAAN-WBVHZDCISA-N 0 0 344.392 2.902 50 5 EFBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000000206328 471334534 /nfs/dbraw/zinc/33/45/34/471334534.db2.gz FISAEQLGNNVXOB-GFCCVEGCSA-N 0 0 331.372 2.715 50 5 EFBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)NCc1cccs1 ZINC000000215064 471336896 /nfs/dbraw/zinc/33/68/96/471336896.db2.gz DOUGKLDOCONZLY-UHFFFAOYSA-N 0 0 342.808 2.911 50 5 EFBARN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000000264962 471341839 /nfs/dbraw/zinc/34/18/39/471341839.db2.gz SKIPTCRONUNHIR-UHFFFAOYSA-N 0 0 349.368 2.662 50 5 EFBARN CCOC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000000271762 471342733 /nfs/dbraw/zinc/34/27/33/471342733.db2.gz FZWNWHIHBRASAH-UHFFFAOYSA-N 0 0 340.763 2.664 50 5 EFBARN COc1ccccc1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000000283431 471343457 /nfs/dbraw/zinc/34/34/57/471343457.db2.gz FTTSWYYELKOFGI-UHFFFAOYSA-N 0 0 341.367 2.566 50 5 EFBARN O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1 ZINC000000424478 471358287 /nfs/dbraw/zinc/35/82/87/471358287.db2.gz JIXIAQAMBULAKN-UHFFFAOYSA-N 0 0 338.352 2.606 50 5 EFBARN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccs1 ZINC000000451068 471361578 /nfs/dbraw/zinc/36/15/78/471361578.db2.gz JVOGIBPAHCFPFT-UHFFFAOYSA-N 0 0 325.346 2.922 50 5 EFBARN COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000000452392 471362196 /nfs/dbraw/zinc/36/21/96/471362196.db2.gz XVRDBUIOACKMHF-UHFFFAOYSA-N 0 0 349.343 2.869 50 5 EFBARN O=C(Cc1ccccc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F ZINC000000456216 471362230 /nfs/dbraw/zinc/36/22/30/471362230.db2.gz SYIYKBXUUWWMLG-UHFFFAOYSA-N 0 0 333.344 2.790 50 5 EFBARN CCOC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000000455833 471362622 /nfs/dbraw/zinc/36/26/22/471362622.db2.gz DXHPANJSEMRWAH-JTQLQIEISA-N 0 0 340.763 2.664 50 5 EFBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1coc(=O)c(Br)c1 ZINC000000520988 471368211 /nfs/dbraw/zinc/36/82/11/471368211.db2.gz WOTNOHHFNJYLRM-UHFFFAOYSA-N 0 0 339.101 2.563 50 5 EFBARN CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1C ZINC000000567814 471371538 /nfs/dbraw/zinc/37/15/38/471371538.db2.gz FQROQMBUYKXHMW-UHFFFAOYSA-N 0 0 335.341 2.789 50 5 EFBARN Cc1cc(OCC(=O)Nc2nnc(C3CC3)s2)ccc1[N+](=O)[O-] ZINC000001055194 471380403 /nfs/dbraw/zinc/38/04/03/471380403.db2.gz RGJBFLJENHKRHN-UHFFFAOYSA-N 0 0 334.357 2.650 50 5 EFBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000001180180 471382385 /nfs/dbraw/zinc/38/23/85/471382385.db2.gz XAQFWUKALHQJBC-LLVKDONJSA-N 0 0 328.324 2.857 50 5 EFBARN O=c1c2ccccc2oc2nc3ccn(N4CCCCC4)c(=O)c3cc12 ZINC000001395618 471388732 /nfs/dbraw/zinc/38/87/32/471388732.db2.gz PDSDFKWNBKXSTN-UHFFFAOYSA-N 0 0 347.374 2.778 50 5 EFBARN CCOC(=O)c1ccc(NC(=O)c2ccccc2CC[N+](=O)[O-])cc1 ZINC000001398076 471389474 /nfs/dbraw/zinc/38/94/74/471389474.db2.gz ZSAWVOZQGQWWME-UHFFFAOYSA-N 0 0 342.351 2.935 50 5 EFBARN COc1ccc(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000001602975 471393662 /nfs/dbraw/zinc/39/36/62/471393662.db2.gz BDOHQEPUDCPQMJ-UHFFFAOYSA-N 0 0 332.268 2.751 50 5 biogenic EFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(CCO)cc1 ZINC000001752579 471397480 /nfs/dbraw/zinc/39/74/80/471397480.db2.gz YNZLMGRAXLCKAR-UHFFFAOYSA-N 0 0 331.328 2.782 50 5 EFBARN O=[N+]([O-])c1ccc(Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000001926195 471400214 /nfs/dbraw/zinc/40/02/14/471400214.db2.gz RNBOYEGCPFKVJW-UHFFFAOYSA-N 0 0 346.408 2.970 50 5 EFBARN O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)NC1CCCC1 ZINC000002468376 471408026 /nfs/dbraw/zinc/40/80/26/471408026.db2.gz AAQGIXLSMXGVOJ-UHFFFAOYSA-N 0 0 346.412 2.931 50 5 EFBARN CCCCOCCCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002739489 471419381 /nfs/dbraw/zinc/41/93/81/471419381.db2.gz MDZCBRGLMUNWJK-UHFFFAOYSA-N 0 0 340.376 2.549 50 5 EFBARN Cc1ccc2nc(NC(=O)[C@@H](C)Cn3cc([N+](=O)[O-])cn3)sc2c1 ZINC000002794098 471421422 /nfs/dbraw/zinc/42/14/22/471421422.db2.gz NEYAUDKIQNILHH-JTQLQIEISA-N 0 0 345.384 2.984 50 5 EFBARN C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000002795270 471422179 /nfs/dbraw/zinc/42/21/79/471422179.db2.gz DBHBMLDJDOIYQF-MRVPVSSYSA-N 0 0 326.715 2.859 50 5 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212154172 /nfs/dbraw/zinc/15/41/72/212154172.db2.gz JWZCOPICDYGKLQ-UHFFFAOYSA-N 0 0 332.703 2.745 50 5 EFBARN CCCCC12CN3CC(C)(CN(C1)C3c1cccc([N+](=O)[O-])c1)C2=O ZINC000019327094 212016340 /nfs/dbraw/zinc/01/63/40/212016340.db2.gz WUWUHLLWAHYYMC-UHFFFAOYSA-N 0 0 343.427 2.990 50 5 EFBARN CCCCC12CN3CC(C)(CN(C1)C3c1ccc([N+](=O)[O-])o1)C2=O ZINC000019320385 212015464 /nfs/dbraw/zinc/01/54/64/212015464.db2.gz ZYWXANNVIRPTCP-UHFFFAOYSA-N 0 0 333.388 2.583 50 5 EFBARN Cc1cc(S(=O)(=O)NCc2cccs2)cc([N+](=O)[O-])c1C ZINC000016780332 211935420 /nfs/dbraw/zinc/93/54/20/211935420.db2.gz NTXHZPKOWTVEBH-UHFFFAOYSA-N 0 0 326.399 2.752 50 5 EFBARN O=c1c2ccccc2ncn1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000016382020 211899267 /nfs/dbraw/zinc/89/92/67/211899267.db2.gz BSVWGQYASJJTNY-UHFFFAOYSA-N 0 0 325.324 2.774 50 5 EFBARN O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1 ZINC000000359627 284449020 /nfs/dbraw/zinc/44/90/20/284449020.db2.gz AALNRUIGJWDXQO-HOTGVXAUSA-N 0 0 337.335 2.764 50 5 biogenic EFBARN O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cccc([N+](=O)[O-])c2)[NH2+]1 ZINC000000188516 284450601 /nfs/dbraw/zinc/45/06/01/284450601.db2.gz CYXGKHWORVZUGJ-CVEARBPZSA-N 0 0 337.335 2.764 50 5 biogenic EFBARN COC(=O)CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccn1 ZINC000013153328 211531855 /nfs/dbraw/zinc/53/18/55/211531855.db2.gz BKYNVISGQMGZGT-UHFFFAOYSA-N 0 0 343.339 2.508 50 5 EFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1coc2ccccc2c1=O ZINC000011847451 211256392 /nfs/dbraw/zinc/25/63/92/211256392.db2.gz XRSPYQXTNHTCPI-UHFFFAOYSA-N 0 0 340.291 2.962 50 5 EFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2c(c1)OCCO2 ZINC000009434124 211082692 /nfs/dbraw/zinc/08/26/92/211082692.db2.gz KOPQOBSLMCYTED-UHFFFAOYSA-N 0 0 330.296 2.627 50 5 EFBARN Cc1c([N+](=O)[O-])cnn1CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000006921777 210744625 /nfs/dbraw/zinc/74/46/25/210744625.db2.gz VSHMPQJHKCIBAJ-UHFFFAOYSA-N 0 0 332.404 2.575 50 5 EFBARN O=C1[C@H]2Cc3ccccc3CN2C(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000003911281 285011427 /nfs/dbraw/zinc/01/14/27/285011427.db2.gz YSWFCMAVFGVKBD-OAHLLOKOSA-N 0 0 339.376 2.653 50 5 EFBARN CCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccco1 ZINC000005450781 210466496 /nfs/dbraw/zinc/46/64/96/210466496.db2.gz IKDPWSVYGCRRQA-UHFFFAOYSA-N 0 0 335.363 2.918 50 5 EFBARN Nc1nc(NC2CCCCC2)nc(NCc2ccco2)c1[N+](=O)[O-] ZINC000005163501 210404349 /nfs/dbraw/zinc/40/43/49/210404349.db2.gz VCLFRABSCHGXJG-UHFFFAOYSA-N 0 0 332.364 2.917 50 5 EFBARN O=[N+]([O-])c1ccc(Br)c(I)c1 ZINC000001675942 285109777 /nfs/dbraw/zinc/10/97/77/285109777.db2.gz AWBNZHRQRUEANT-UHFFFAOYSA-N 0 0 327.903 2.962 50 5 EFBARN O=C(C[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000005065444 210380906 /nfs/dbraw/zinc/38/09/06/210380906.db2.gz SLKXWSJBCZVRTI-MRXNPFEDSA-N 0 0 346.726 2.661 50 5 EFBARN CCn1cc(CN(C)C(=S)Nc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000005041821 210373411 /nfs/dbraw/zinc/37/34/11/210373411.db2.gz MNMJKCCTXCRHFO-UHFFFAOYSA-N 0 0 333.417 2.948 50 5 EFBARN COC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000005049550 210374499 /nfs/dbraw/zinc/37/44/99/210374499.db2.gz ATELJVKHFJKBML-RVDMUPIBSA-N 0 0 326.308 2.539 50 5 EFBARN COc1cc(OC)cc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000004842846 210296286 /nfs/dbraw/zinc/29/62/86/210296286.db2.gz QKZYHQKSQHRFKB-UHFFFAOYSA-N 0 0 332.312 2.873 50 5 EFBARN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000004785041 210276327 /nfs/dbraw/zinc/27/63/27/210276327.db2.gz MMLHOMLXHAHPFA-UHFFFAOYSA-N 0 0 346.677 2.749 50 5 EFBARN Cc1cc([N+](=O)[O-])nn1CC(=O)NCCC12CC3CC(CC(C3)C1)C2 ZINC000004784715 210276401 /nfs/dbraw/zinc/27/64/01/210276401.db2.gz NLOAYUXHQPCAHU-UHFFFAOYSA-N 0 0 346.431 2.822 50 5 EFBARN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(F)cc1 ZINC000000452546 258048127 /nfs/dbraw/zinc/04/81/27/258048127.db2.gz OTQCQNSYEBHPCI-UHFFFAOYSA-N 0 0 337.307 3.000 50 5 EFBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CN2CCOCC2)cc1 ZINC000020137296 258057376 /nfs/dbraw/zinc/05/73/76/258057376.db2.gz JQVICMCQCSVQNU-UHFFFAOYSA-N 0 0 341.367 2.679 50 5 EFBARN Cc1cc2c(c(=O)[nH]1)[C@H](c1cc([N+](=O)[O-])ccc1Cl)CC(=O)O2 ZINC000095477176 292000941 /nfs/dbraw/zinc/00/09/41/292000941.db2.gz BDGFJOYSGNPQLC-JTQLQIEISA-N 0 0 334.715 2.686 50 5 EFBARN COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000000117045 135644939 /nfs/dbraw/zinc/64/49/39/135644939.db2.gz VRHIFKIMRXOVHD-UHFFFAOYSA-N 0 0 341.367 2.566 50 5 EFBARN Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000000172715 135646145 /nfs/dbraw/zinc/64/61/45/135646145.db2.gz UMZKXPQNUGEURQ-UHFFFAOYSA-N 0 0 341.367 2.992 50 5 EFBARN COc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000004081839 135662314 /nfs/dbraw/zinc/66/23/14/135662314.db2.gz VZHMDKYSGHBCFR-UHFFFAOYSA-N 0 0 341.367 2.566 50 5 EFBARN Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccs2)CC1 ZINC000004703657 135666013 /nfs/dbraw/zinc/66/60/13/135666013.db2.gz JRWTZPDMKSVQNW-UHFFFAOYSA-N 0 0 331.397 2.927 50 5 EFBARN C[C@@H]1CCCN(c2nc(N3CCCCCC3)nc(N)c2[N+](=O)[O-])C1 ZINC000005155588 287361216 /nfs/dbraw/zinc/36/12/16/287361216.db2.gz WFVUTKSZNVUGTA-GFCCVEGCSA-N 0 0 334.424 2.584 50 5 EFBARN O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000457182 262518584 /nfs/dbraw/zinc/51/85/84/262518584.db2.gz PDXGASRYNXYKEF-GQCTYLIASA-N 0 0 335.316 2.853 50 5 EFBARN C[C@@H]1Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2N(C)C1=O ZINC000012083406 274424586 /nfs/dbraw/zinc/42/45/86/274424586.db2.gz DDOXWDUINXDVBN-JTQLQIEISA-N 0 0 341.323 2.591 50 5 EFBARN Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c3ccccc3oc(=O)c12 ZINC000000553275 274965509 /nfs/dbraw/zinc/96/55/09/274965509.db2.gz HBJKZPQTRSCJGV-UHFFFAOYSA-N 0 0 334.291 2.894 50 5 EFBARN O=C1c2ccc(Cl)cc2C(=O)N1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003099607 275031150 /nfs/dbraw/zinc/03/11/50/275031150.db2.gz ZJDCHURPVPGVKA-UHFFFAOYSA-N 0 0 347.670 2.957 50 5 EFBARN CC1CCN(c2nc(NC3CCCCC3)nc(N)c2[N+](=O)[O-])CC1 ZINC000004305930 275942884 /nfs/dbraw/zinc/94/28/84/275942884.db2.gz CLQHSEYRCHVUDG-UHFFFAOYSA-N 0 0 334.424 2.948 50 5 EFBARN CC1CCN(c2nc(N3C[C@H](C)C[C@H](C)C3)nc(N)c2[N+](=O)[O-])CC1 ZINC000017967152 278552179 /nfs/dbraw/zinc/55/21/79/278552179.db2.gz RPAAPIRCXFESGN-BETUJISGSA-N 0 0 348.451 2.686 50 5 EFBARN Cn1c2nc3ccccc3nc2c2c1ncn(Cc1ccccc1)c2=O ZINC000004858104 279322608 /nfs/dbraw/zinc/32/26/08/279322608.db2.gz XKUWPMOPQMBDRM-UHFFFAOYSA-N 0 0 341.374 2.880 50 5 EFBARN Cc1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c([N+](=O)[O-])c1 ZINC000004291943 280908192 /nfs/dbraw/zinc/90/81/92/280908192.db2.gz BHYXGMATFBKOIY-OAHLLOKOSA-N 0 0 326.308 2.623 50 5 EFBARN C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C(=O)O1 ZINC000005064930 289150460 /nfs/dbraw/zinc/15/04/60/289150460.db2.gz OKDQBZHWPXBWKH-KRWDZBQOSA-N 0 0 326.308 2.705 50 5 EFBARN O=C1C[C@H](c2ccccc2[N+](=O)[O-])c2cc3c(cc2N1)OCCO3 ZINC000000427586 304650636 /nfs/dbraw/zinc/65/06/36/304650636.db2.gz NOYDAFUULYHBIU-LLVKDONJSA-N 0 0 326.308 2.840 50 5 EFBARN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000082238020 473299569 /nfs/dbraw/zinc/29/95/69/473299569.db2.gz HRAUJNZJQJYBKH-UHFFFAOYSA-N 0 0 345.267 2.527 50 5 EFBARN O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000000089586 471321356 /nfs/dbraw/zinc/32/13/56/471321356.db2.gz FVICUYAPMJJFFN-AEFFLSMTSA-N 0 0 326.352 2.862 50 5 EFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)OC12CCCCC2 ZINC000000093326 471321687 /nfs/dbraw/zinc/32/16/87/471321687.db2.gz NYDAEDZQKQFADH-LBPRGKRZSA-N 0 0 348.355 2.808 50 5 EFBARN COC(=O)c1ccc(Oc2ccc(C=O)cc2[N+](=O)[O-])c(OC)c1 ZINC000000168810 471330050 /nfs/dbraw/zinc/33/00/50/471330050.db2.gz PVGHJIMJEWHLPL-UHFFFAOYSA-N 0 0 331.280 2.995 50 5 EFBARN CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000178845 471331222 /nfs/dbraw/zinc/33/12/22/471331222.db2.gz FLIUPXFFDCLVLD-XPTSAGLGSA-N 0 0 333.344 2.564 50 5 EFBARN O=C1CS[C@H](c2ccccc2)N1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000000191472 471332512 /nfs/dbraw/zinc/33/25/12/471332512.db2.gz MGXILCXZIMQAAN-NVXWUHKLSA-N 0 0 344.392 2.902 50 5 EFBARN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc2O1 ZINC000000270932 471342474 /nfs/dbraw/zinc/34/24/74/471342474.db2.gz OXMSBVALZHUSPB-BZNIZROVSA-N 0 0 328.324 2.553 50 5 EFBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1 ZINC000000270901 471342980 /nfs/dbraw/zinc/34/29/80/471342980.db2.gz JIABFMRDXFPWMC-BDJLRTHQSA-N 0 0 328.324 2.553 50 5 EFBARN O=C(C[C@]1(O)C(=O)Nc2ccc(Cl)cc21)c1cccc([N+](=O)[O-])c1 ZINC000000312425 471346827 /nfs/dbraw/zinc/34/68/27/471346827.db2.gz HHFRTRAUPLVFSG-MRXNPFEDSA-N 0 0 346.726 2.661 50 5 EFBARN COc1ccc(C(=O)NC(=S)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000000328641 471347870 /nfs/dbraw/zinc/34/78/70/471347870.db2.gz VPIRRELSUNONFI-UHFFFAOYSA-N 0 0 349.343 2.869 50 5 EFBARN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(F)c1 ZINC000000361090 471350543 /nfs/dbraw/zinc/35/05/43/471350543.db2.gz QPOPSCXAQZUXCO-UHFFFAOYSA-N 0 0 337.307 3.000 50 5 EFBARN CCOC(=O)Cc1csc(NC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000000371681 471351574 /nfs/dbraw/zinc/35/15/74/471351574.db2.gz DDZARILCXIEEIZ-UHFFFAOYSA-N 0 0 349.368 2.718 50 5 EFBARN C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(C)(C)C)cc1 ZINC000000374861 471351716 /nfs/dbraw/zinc/35/17/16/471351716.db2.gz NUUSDAHBZWJPKI-GFCCVEGCSA-N 0 0 330.388 2.966 50 5 EFBARN Cc1csc2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c(=O)n12 ZINC000000429676 471360394 /nfs/dbraw/zinc/36/03/94/471360394.db2.gz BOOGNMAQTYEJJS-UHFFFAOYSA-N 0 0 344.352 2.533 50 5 EFBARN Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C(N)=O)c1C ZINC000000433793 471360417 /nfs/dbraw/zinc/36/04/17/471360417.db2.gz GGYPXIDKDQEXEL-UHFFFAOYSA-N 0 0 333.369 2.933 50 5 EFBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC000000445431 471361417 /nfs/dbraw/zinc/36/14/17/471361417.db2.gz MNLSBYVMMYMDOB-UHFFFAOYSA-N 0 0 343.358 2.625 50 5 EFBARN O=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000000458700 471363480 /nfs/dbraw/zinc/36/34/80/471363480.db2.gz YXIBFNRHPZYAHR-UHFFFAOYSA-N 0 0 328.372 2.907 50 5 EFBARN CCOc1cc(/C=C/[N+](=O)[O-])cc(I)c1O ZINC000000475143 471364125 /nfs/dbraw/zinc/36/41/25/471364125.db2.gz CXTWTQFEUFZRHZ-ONEGZZNKSA-N 0 0 335.097 2.643 50 5 EFBARN CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C(N)=O ZINC000000475355 471364561 /nfs/dbraw/zinc/36/45/61/471364561.db2.gz UMELUIUPMMRVNF-UHFFFAOYSA-N 0 0 333.369 2.878 50 5 EFBARN Cc1cccc(C)c1NC(=O)[C@H](NC=O)c1ccc([N+](=O)[O-])cc1 ZINC000000500473 471366680 /nfs/dbraw/zinc/36/66/80/471366680.db2.gz ZUJPELOCEJVEJC-MRXNPFEDSA-N 0 0 327.340 2.637 50 5 EFBARN CCCn1nnc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 ZINC000000568955 471371483 /nfs/dbraw/zinc/37/14/83/471371483.db2.gz QYQZMYLIGITMEU-UHFFFAOYSA-N 0 0 342.315 2.504 50 5 EFBARN CN(Cc1ccccc1)C(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000587337 471372359 /nfs/dbraw/zinc/37/23/59/471372359.db2.gz BGSSGEPBVHAOQB-UHFFFAOYSA-N 0 0 329.381 2.742 50 5 EFBARN O=[N+]([O-])c1cccc(NC(=S)NCc2ccc3c(c2)OCO3)c1 ZINC000000612335 471373559 /nfs/dbraw/zinc/37/35/59/471373559.db2.gz ZXFSKCIWQHJVLO-UHFFFAOYSA-N 0 0 331.353 2.810 50 5 EFBARN CCOC(=O)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000613987 471373737 /nfs/dbraw/zinc/37/37/37/471373737.db2.gz IMSXAHWKMPUEKK-UHFFFAOYSA-N 0 0 328.324 2.953 50 5 EFBARN COC(=O)c1cc(C)sc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000001009094 471378070 /nfs/dbraw/zinc/37/80/70/471378070.db2.gz MRYIKSWEXKXSLZ-UHFFFAOYSA-N 0 0 334.353 2.933 50 5 EFBARN CC(C)NC(=O)c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000001056728 471379486 /nfs/dbraw/zinc/37/94/86/471379486.db2.gz VDDQQQJQNOXLRO-UHFFFAOYSA-N 0 0 341.367 2.914 50 5 EFBARN COc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000001142647 471382436 /nfs/dbraw/zinc/38/24/36/471382436.db2.gz JKCDGDLTCBHBDD-UHFFFAOYSA-N 0 0 348.262 2.726 50 5 EFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1c[nH]c2ccccc12 ZINC000001238612 471384062 /nfs/dbraw/zinc/38/40/62/471384062.db2.gz YLOFNUAWNFURLP-UHFFFAOYSA-N 0 0 345.380 2.597 50 5 EFBARN CC(=O)Nc1ccc(NC(=O)c2ccccc2CC[N+](=O)[O-])cc1 ZINC000001398087 471389814 /nfs/dbraw/zinc/38/98/14/471389814.db2.gz PZZCJRJJXSTZGV-UHFFFAOYSA-N 0 0 327.340 2.717 50 5 EFBARN Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000001628058 471394396 /nfs/dbraw/zinc/39/43/96/471394396.db2.gz NQXDAKVRYHXNPE-UHFFFAOYSA-N 0 0 338.297 2.579 50 5 EFBARN COc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000001861863 471399094 /nfs/dbraw/zinc/39/90/94/471399094.db2.gz CCDNMCNQFWSLDQ-UHFFFAOYSA-N 0 0 345.307 2.652 50 5 EFBARN O=C(Nc1ccc2nsnc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001837801 471399714 /nfs/dbraw/zinc/39/97/14/471399714.db2.gz CGIOXTOBHVIRLM-UHFFFAOYSA-N 0 0 345.296 2.760 50 5 EFBARN O=C(COc1ccc([N+](=O)[O-])cc1)NCCc1c[nH]c2ccccc12 ZINC000002380834 471406929 /nfs/dbraw/zinc/40/69/29/471406929.db2.gz UXWXTHMHHQUBEY-UHFFFAOYSA-N 0 0 339.351 2.814 50 5 EFBARN Cc1nc2ccccc2n1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000002495508 471410175 /nfs/dbraw/zinc/41/01/75/471410175.db2.gz ATWFDLKCWFDCEW-AWEZNQCLSA-N 0 0 327.340 2.693 50 5 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O=C(c1cccnc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000005025118 471483084 /nfs/dbraw/zinc/48/30/84/471483084.db2.gz FAYHXTIUYHALET-UHFFFAOYSA-N 0 0 346.774 2.606 50 5 EFBARN O=C(Nc1cc2c3c(c1)CCC(=O)N3CC2)c1ccccc1[N+](=O)[O-] ZINC000005153368 471487437 /nfs/dbraw/zinc/48/74/37/471487437.db2.gz OVERDEKZIHXVFY-UHFFFAOYSA-N 0 0 337.335 2.682 50 5 EFBARN C[C@@H]1CCCN(c2nc(NCc3ccccc3)nc(N)c2[N+](=O)[O-])C1 ZINC000005180079 471488881 /nfs/dbraw/zinc/48/88/81/471488881.db2.gz VTIISJZTHMGJCU-GFCCVEGCSA-N 0 0 342.403 2.815 50 5 EFBARN CC1CCN(c2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)C[C@H](C)C3)n2)CC1 ZINC000005249590 471495470 /nfs/dbraw/zinc/49/54/70/471495470.db2.gz OPLYLWPCXRYNDF-STQMWFEESA-N 0 0 348.451 2.686 50 5 EFBARN O=C(NCCc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000005251517 471495554 /nfs/dbraw/zinc/49/55/54/471495554.db2.gz ISVFDCWJYPXLQB-UHFFFAOYSA-N 0 0 347.758 2.546 50 5 EFBARN CC(=O)c1cccc(Nc2cc(C)nc(-n3cc([N+](=O)[O-])cn3)n2)c1 ZINC000005251710 471495605 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O=C(NC1CCCC1)c1cc(C(=O)NC2CCCC2)cc([N+](=O)[O-])c1 ZINC000005943662 471526647 /nfs/dbraw/zinc/52/66/47/471526647.db2.gz KXMLQARQZNUQSS-UHFFFAOYSA-N 0 0 345.399 2.940 50 5 EFBARN CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])s2)C1 ZINC000006661993 471557752 /nfs/dbraw/zinc/55/77/52/471557752.db2.gz DJGCGKWXQLJPRQ-LBPRGKRZSA-N 0 0 325.434 2.737 50 5 EFBARN O=C(CC12CC3CC(CC(C3)C1)C2)NCCn1cc([N+](=O)[O-])cn1 ZINC000006828512 471573360 /nfs/dbraw/zinc/57/33/60/471573360.db2.gz RAXOCFDEJHRZHA-UHFFFAOYSA-N 0 0 332.404 2.514 50 5 EFBARN Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1[N+](=O)[O-] ZINC000006846519 471574361 /nfs/dbraw/zinc/57/43/61/471574361.db2.gz VRATVACWMCERQK-UHFFFAOYSA-N 0 0 345.380 2.805 50 5 EFBARN Cc1c(C(=O)NCCCNC(=O)c2cccs2)cccc1[N+](=O)[O-] ZINC000008402371 471687104 /nfs/dbraw/zinc/68/71/04/471687104.db2.gz FHFRMEZFJOOXEB-UHFFFAOYSA-N 0 0 347.396 2.515 50 5 EFBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008435488 471687620 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COC[C@H](C)Nc1nc(C)c([N+](=O)[O-])c(NCc2ccccc2)n1 ZINC000049025940 472926259 /nfs/dbraw/zinc/92/62/59/472926259.db2.gz SHWFUQKHLNIQQG-NSHDSACASA-N 0 0 331.376 2.752 50 5 EFBARN COc1nc(-c2ccc3c(c2)OCO3)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000601014408 478614257 /nfs/dbraw/zinc/61/42/57/478614257.db2.gz LKMYYSSILYKMGF-UHFFFAOYSA-N 0 0 340.295 2.580 50 5 EFBARN COC(=O)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000004724943 716400329 /nfs/dbraw/zinc/40/03/29/716400329.db2.gz LRMRSLLIMQYMOR-UHFFFAOYSA-N 0 0 345.307 2.918 50 5 EFBARN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000008435487 201749472 /nfs/dbraw/zinc/74/94/72/201749472.db2.gz ZDBZBLVFOZVYJM-UHFFFAOYSA-N 0 0 347.239 2.768 50 5 EFBARN COc1ccc([N+](=O)[O-])cc1CSc1nnc(NC(C)=O)s1 ZINC000009316711 201773584 /nfs/dbraw/zinc/77/35/84/201773584.db2.gz XJZVSYRZTQQOHZ-UHFFFAOYSA-N 0 0 340.386 2.706 50 5 EFBARN Nc1nc(Nc2cccc(Cl)c2)nc(N2CCCC2)c1[N+](=O)[O-] ZINC000009357522 201776279 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O=[N+]([O-])c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000002031039 471400630 /nfs/dbraw/zinc/40/06/30/471400630.db2.gz UUJAPKSKOVJHSZ-UHFFFAOYSA-N 0 0 344.312 2.630 50 5 EFBARN CCCOc1ccc([C@@H]2NC(=O)N(C)C(C)=C2[N+](=O)[O-])cc1OC ZINC000002675130 471416147 /nfs/dbraw/zinc/41/61/47/471416147.db2.gz SPHNZZYQPKOYFB-AWEZNQCLSA-N 0 0 335.360 2.688 50 5 EFBARN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc1C(=O)N(C)C ZINC000002764696 471420634 /nfs/dbraw/zinc/42/06/34/471420634.db2.gz CXWNPMAAFYADMS-UHFFFAOYSA-N 0 0 348.384 2.622 50 5 EFBARN COc1ccc(CSc2nnc(NC(C)=O)s2)cc1[N+](=O)[O-] ZINC000002817366 471423978 /nfs/dbraw/zinc/42/39/78/471423978.db2.gz ZSWSADVAOMGCGR-UHFFFAOYSA-N 0 0 340.386 2.706 50 5 EFBARN COc1ccc(NC(=O)c2c(OC)cccc2OC)cc1[N+](=O)[O-] ZINC000002847122 471425100 /nfs/dbraw/zinc/42/51/00/471425100.db2.gz FPZQKGFVYWEYJA-UHFFFAOYSA-N 0 0 332.312 2.873 50 5 EFBARN CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])s2)nc1C ZINC000004069873 471458202 /nfs/dbraw/zinc/45/82/02/471458202.db2.gz 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COC(=O)c1ccccc1Nc1ccn2c(n1)nc1ccccc1c2=O ZINC000000445059 209603707 /nfs/dbraw/zinc/60/37/07/209603707.db2.gz AXNBAGVOKKQQEZ-UHFFFAOYSA-N 0 0 346.346 2.773 50 5 biogenic EFBARN CC1=NN(C(=O)c2ccccc2)[C@](O)(c2ccc([N+](=O)[O-])cc2)C1 ZINC000000440683 209601354 /nfs/dbraw/zinc/60/13/54/209601354.db2.gz GKMHMKOVWXCQHI-QGZVFWFLSA-N 0 0 325.324 2.662 50 5 EFBARN CN[C@@H](C(=O)c1ccccc1)[C@@H](OC(C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000036006108 213055665 /nfs/dbraw/zinc/05/56/65/213055665.db2.gz LAFCBZDGUBVKBO-WMZOPIPTSA-N 0 0 342.351 2.670 50 5 EFBARN O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1 ZINC000000359616 295989120 /nfs/dbraw/zinc/98/91/20/295989120.db2.gz AALNRUIGJWDXQO-HZPDHXFCSA-N 0 0 337.335 2.764 50 5 biogenic EFBARN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(Br)cc1 ZINC000000205431 209483230 /nfs/dbraw/zinc/48/32/30/209483230.db2.gz AXGDJZNMZOEHTA-UHFFFAOYSA-N 0 0 339.149 2.501 50 5 EFBARN COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000000068236 209398384 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O=C(Cn1cc([N+](=O)[O-])cn1)NC1CCC(c2ccccc2)CC1 ZINC000012376162 211359987 /nfs/dbraw/zinc/35/99/87/211359987.db2.gz AXNVTVLKOBHRIG-UHFFFAOYSA-N 0 0 328.372 2.634 50 5 EFBARN Cc1cc(C(=O)NC[C@H]2COC3(CCCCC3)O2)ccc1[N+](=O)[O-] ZINC000010220438 211154953 /nfs/dbraw/zinc/15/49/53/211154953.db2.gz VNRRIRHKYZAUPU-AWEZNQCLSA-N 0 0 334.372 2.709 50 5 EFBARN O=C(NC[C@@H]1COC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1Cl ZINC000010220537 211154497 /nfs/dbraw/zinc/15/44/97/211154497.db2.gz JBDFPLZDNAOUBO-LLVKDONJSA-N 0 0 340.763 2.664 50 5 EFBARN O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2cc3c(cc2N1)OCCO3 ZINC000000423369 284836091 /nfs/dbraw/zinc/83/60/91/284836091.db2.gz MJTBXMWHTRZIOX-LBPRGKRZSA-N 0 0 326.308 2.840 50 5 EFBARN Cc1ccc(NC(=O)Cn2c(=O)sc3ccccc32)c([N+](=O)[O-])c1 ZINC000006662822 210674357 /nfs/dbraw/zinc/67/43/57/210674357.db2.gz UTKGKVQHSRVHOI-UHFFFAOYSA-N 0 0 343.364 2.918 50 5 EFBARN COc1ccccc1C(=O)N[C@H](C)CNc1ccc([N+](=O)[O-])cc1 ZINC000005330393 210441353 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CCOC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004975495 210344898 /nfs/dbraw/zinc/34/48/98/210344898.db2.gz SLJSZVXIXLCLIH-INIZCTEOSA-N 0 0 342.351 2.955 50 5 EFBARN O=C(CSc1nc2ccccc2[nH]1)Nc1ncc([N+](=O)[O-])s1 ZINC000004904212 210317795 /nfs/dbraw/zinc/31/77/95/210317795.db2.gz IRHPCJOGNMKBHW-UHFFFAOYSA-N 0 0 335.370 2.658 50 5 EFBARN Cc1ccc(NC(=O)CCC(=O)N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000004856230 210302061 /nfs/dbraw/zinc/30/20/61/210302061.db2.gz XRUBYCPPZUZDGU-UHFFFAOYSA-N 0 0 333.388 2.880 50 5 EFBARN CC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000004873203 210309642 /nfs/dbraw/zinc/30/96/42/210309642.db2.gz KYXICCPTAIQTCI-UHFFFAOYSA-N 0 0 334.353 2.907 50 5 EFBARN COc1ccc(-n2nc([N+](=O)[O-])c(NC3CCCCCC3)[n+]2[O-])cc1 ZINC000004813815 210285387 /nfs/dbraw/zinc/28/53/87/210285387.db2.gz OITGOSQUIFZGGB-UHFFFAOYSA-N 0 0 347.375 2.557 50 5 EFBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)Cc1ccccc1 ZINC000004091033 258050834 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NC(=O)c1cc2cc([N+](=O)[O-])ccc2o/c1=N\c1ccccc1F ZINC000000195606 471333682 /nfs/dbraw/zinc/33/36/82/471333682.db2.gz GLOBWYWSIKXIAJ-MNDPQUGUSA-N 0 0 327.271 2.811 50 5 EFBARN COc1ccc(CN(C)C(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000000242185 471338866 /nfs/dbraw/zinc/33/88/66/471338866.db2.gz PLRANRIYZRCBNA-UHFFFAOYSA-N 0 0 330.340 2.884 50 5 EFBARN COc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c1 ZINC000000273898 471342441 /nfs/dbraw/zinc/34/24/41/471342441.db2.gz NGUCDGSGGPXSNH-UHFFFAOYSA-N 0 0 340.291 2.962 50 5 EFBARN CC1=NN(C(=O)c2ccccc2[N+](=O)[O-])[C@](O)(c2ccccc2)C1 ZINC000000283763 471344009 /nfs/dbraw/zinc/34/40/09/471344009.db2.gz TZHJTSJNUSGKKA-QGZVFWFLSA-N 0 0 325.324 2.662 50 5 EFBARN CC(=O)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000318835 471348107 /nfs/dbraw/zinc/34/81/07/471348107.db2.gz INRVXXKFRUNFTH-UHFFFAOYSA-N 0 0 329.312 2.571 50 5 EFBARN O=C(CF)N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000000349147 471349614 /nfs/dbraw/zinc/34/96/14/471349614.db2.gz 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Cc1nc(C(=O)Nc2ccc(F)cc2)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000001397418 471388752 /nfs/dbraw/zinc/38/87/52/471388752.db2.gz ABBRVBYBGWAVHX-UHFFFAOYSA-N 0 0 341.302 2.875 50 5 EFBARN O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCCO2 ZINC000001908410 471399106 /nfs/dbraw/zinc/39/91/06/471399106.db2.gz DHHLKFIEJRAWLK-UHFFFAOYSA-N 0 0 342.307 2.578 50 5 EFBARN O=Cc1ccccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000001882872 471399459 /nfs/dbraw/zinc/39/94/59/471399459.db2.gz MGHHCOKYWOBEPK-UHFFFAOYSA-N 0 0 341.728 2.828 50 5 EFBARN CCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccc(F)cc1 ZINC000002331709 471405138 /nfs/dbraw/zinc/40/51/38/471405138.db2.gz PRKSXGHQYAFPPY-UHFFFAOYSA-N 0 0 349.365 2.939 50 5 EFBARN COc1cc2c(cc1OC)CN(C(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000002341953 471405752 /nfs/dbraw/zinc/40/57/52/471405752.db2.gz OVLVVFWRVVNHRZ-UHFFFAOYSA-N 0 0 348.380 2.872 50 5 EFBARN COc1cc2c(cc1OC)CN(C(=O)c1ccccc1[N+](=O)[O-])CC2 ZINC000002430174 471408660 /nfs/dbraw/zinc/40/86/60/471408660.db2.gz 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O=C(NCc1ccccc1)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000002788655 471421638 /nfs/dbraw/zinc/42/16/38/471421638.db2.gz UGEGVYVSCHGSLA-UHFFFAOYSA-N 0 0 336.351 2.770 50 5 EFBARN O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC000002797664 471422584 /nfs/dbraw/zinc/42/25/84/471422584.db2.gz PWTFCWNGFNQNBY-UHFFFAOYSA-N 0 0 329.143 2.528 50 5 EFBARN Cc1ccc(N[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000002876684 471426346 /nfs/dbraw/zinc/42/63/46/471426346.db2.gz DSHJOOHBRVCGIR-HNNXBMFYSA-N 0 0 325.324 2.647 50 5 EFBARN COc1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000002883604 471426629 /nfs/dbraw/zinc/42/66/29/471426629.db2.gz PZRSFBJNQVFXQN-UHFFFAOYSA-N 0 0 332.312 2.630 50 5 EFBARN COCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000002990783 471429880 /nfs/dbraw/zinc/42/98/80/471429880.db2.gz DQJPYJWEBAKQMT-GHRIWEEISA-N 0 0 326.352 2.898 50 5 EFBARN CC(=O)Oc1cc(O)cc(O)c1C(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000003122440 471433074 /nfs/dbraw/zinc/43/30/74/471433074.db2.gz 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471469404 /nfs/dbraw/zinc/46/94/04/471469404.db2.gz WXTQEVVFJWKQQN-UHFFFAOYSA-N 0 0 326.352 2.971 50 5 EFBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000004873321 471477429 /nfs/dbraw/zinc/47/74/29/471477429.db2.gz SRBKUSPEHKAVCJ-UHFFFAOYSA-N 0 0 341.367 2.992 50 5 EFBARN CN1CCN(c2ccc(C(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000004983569 471481352 /nfs/dbraw/zinc/48/13/52/471481352.db2.gz KJMRDIBDDOYEKR-UHFFFAOYSA-N 0 0 340.383 2.599 50 5 EFBARN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000004998354 471482768 /nfs/dbraw/zinc/48/27/68/471482768.db2.gz HKOMWHHIQURRQY-UHFFFAOYSA-N 0 0 327.340 2.684 50 5 EFBARN O=C(c1ccco1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000005119894 471486855 /nfs/dbraw/zinc/48/68/55/471486855.db2.gz HZSHWSVMPSQXHS-UHFFFAOYSA-N 0 0 335.747 2.804 50 5 EFBARN C[C@@H]1C[C@@H](C)CN(c2nc(NCc3ccco3)nc(N)c2[N+](=O)[O-])C1 ZINC000005164756 471489745 /nfs/dbraw/zinc/48/97/45/471489745.db2.gz RNPPNPCBYYIBHT-GHMZBOCLSA-N 0 0 346.391 2.654 50 5 EFBARN C[C@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(NCc3ccco3)n2)C1 ZINC000005249756 471495691 /nfs/dbraw/zinc/49/56/91/471495691.db2.gz LHUOAFDCEDBBAC-QWRGUYRKSA-N 0 0 346.391 2.654 50 5 EFBARN O=C(/C=C/c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005336134 471499564 /nfs/dbraw/zinc/49/95/64/471499564.db2.gz DRWMKKHVOTZMKW-IZZDOVSWSA-N 0 0 337.379 2.957 50 5 EFBARN CCn1c(=O)c([N+](=O)[O-])c(NCCCn2ccnc2)c2ccccc21 ZINC000005456628 471507089 /nfs/dbraw/zinc/50/70/89/471507089.db2.gz PLWNLJXMAYGDEV-UHFFFAOYSA-N 0 0 341.371 2.628 50 5 EFBARN COc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000005550116 471510306 /nfs/dbraw/zinc/51/03/06/471510306.db2.gz HMIWSTHIVLAJJV-UHFFFAOYSA-N 0 0 331.353 2.730 50 5 EFBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000005763315 471520479 /nfs/dbraw/zinc/52/04/79/471520479.db2.gz ZEDXWVFATUNYMD-VBOZERGBSA-N 0 0 330.384 2.762 50 5 EFBARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000006414044 471544107 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50 5 EFBARN Cc1cccc(OCCNC(=O)COc2ccccc2[N+](=O)[O-])c1C ZINC000041156767 472048302 /nfs/dbraw/zinc/04/83/02/472048302.db2.gz FZXOLFAYEZUZKR-UHFFFAOYSA-N 0 0 344.367 2.786 50 5 EFBARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2NC1=O ZINC000027018139 472159543 /nfs/dbraw/zinc/15/95/43/472159543.db2.gz AYGPQKQCCUTXOG-SECBINFHSA-N 0 0 327.296 2.567 50 5 EFBARN O=[N+]([O-])c1cccc(-c2nn3c(CN4CCCCC4)nnc3s2)c1 ZINC000071260520 472546300 /nfs/dbraw/zinc/54/63/00/472546300.db2.gz FZOVNKBXSLUUFX-UHFFFAOYSA-N 0 0 344.400 2.747 50 5 EFBARN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)[C@H]1C ZINC000245225983 474572813 /nfs/dbraw/zinc/57/28/13/474572813.db2.gz COOCAAQRPUONQQ-TYNCELHUSA-N 0 0 346.387 2.987 50 5 EFBARN Cc1noc([C@H](C)NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC000585134394 479295391 /nfs/dbraw/zinc/29/53/91/479295391.db2.gz QJUNAXASTBGGQR-YFKPBYRVSA-N 0 0 328.687 2.570 50 5 EFBARN O=C(Nc1cc(F)c([N+](=O)[O-])cc1Br)C(F)(F)F ZINC000616568280 1251866018 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COc1ccccc1C[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000004644550 210237166 /nfs/dbraw/zinc/23/71/66/210237166.db2.gz ZZZIXVXAOAJZNO-CYBMUJFWSA-N 0 0 340.335 2.726 50 5 EFBARN COc1ccccc1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004600577 210231051 /nfs/dbraw/zinc/23/10/51/210231051.db2.gz ZAEMBBSNWIEQEK-UHFFFAOYSA-N 0 0 346.339 2.551 50 5 EFBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccccc1 ZINC000004608303 210230940 /nfs/dbraw/zinc/23/09/40/210230940.db2.gz GNPCXTZMHINXLI-UHFFFAOYSA-N 0 0 331.353 2.730 50 5 EFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004589355 210227695 /nfs/dbraw/zinc/22/76/95/210227695.db2.gz LDPJRTBIDDJKGT-NSHDSACASA-N 0 0 343.314 2.726 50 5 EFBARN O=C(CSCC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1 ZINC000004573097 210225148 /nfs/dbraw/zinc/22/51/48/210225148.db2.gz ACEXCQAWDLWJNK-UHFFFAOYSA-N 0 0 345.380 2.905 50 5 EFBARN Cc1cccn2c(=O)nc(SCc3cccc([N+](=O)[O-])c3)nc12 ZINC000004504142 210207688 /nfs/dbraw/zinc/20/76/88/210207688.db2.gz RVNRYLZHYPCJHJ-UHFFFAOYSA-N 0 0 328.353 2.598 50 5 EFBARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004496215 210203813 /nfs/dbraw/zinc/20/38/13/210203813.db2.gz GEDQGLQXKFTTFZ-UHFFFAOYSA-N 0 0 348.380 2.706 50 5 EFBARN Cc1nnc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)s1 ZINC000000354707 282317625 /nfs/dbraw/zinc/31/76/25/282317625.db2.gz PSRMOLGWPSXUTN-UHFFFAOYSA-N 0 0 340.320 2.709 50 5 EFBARN CCS(=O)(=O)c1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000004304843 210165103 /nfs/dbraw/zinc/16/51/03/210165103.db2.gz ILBCEUKYDGXUGP-UHFFFAOYSA-N 0 0 345.380 2.786 50 5 EFBARN Cc1ccc(Nc2nc(NC[C@@H]3CCCO3)nc(N)c2[N+](=O)[O-])cc1 ZINC000004305890 210164888 /nfs/dbraw/zinc/16/48/88/210164888.db2.gz BEQYPXFNFQCPLQ-LBPRGKRZSA-N 0 0 344.375 2.610 50 5 EFBARN O=C(Cn1c(=O)oc2ccc(Cl)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000004172194 210137831 /nfs/dbraw/zinc/13/78/31/210137831.db2.gz UVQWAMPMSDLENU-UHFFFAOYSA-N 0 0 347.714 2.795 50 5 biogenic EFBARN O=C(c1ccco1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 ZINC000004120679 210126414 /nfs/dbraw/zinc/12/64/14/210126414.db2.gz KOVHCVQITXCBHI-UHFFFAOYSA-N 0 0 331.353 2.933 50 5 EFBARN CCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004070234 210112088 /nfs/dbraw/zinc/11/20/88/210112088.db2.gz QBTGZVLWNODSAZ-AWEZNQCLSA-N 0 0 333.344 2.518 50 5 EFBARN COc1cc(OC)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000004070843 210112249 /nfs/dbraw/zinc/11/22/49/210112249.db2.gz RWSQZURFKDSKGP-UHFFFAOYSA-N 0 0 332.312 2.873 50 5 EFBARN Cc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000004020788 210101298 /nfs/dbraw/zinc/10/12/98/210101298.db2.gz YRAZZPNCMCWSJL-UHFFFAOYSA-N 0 0 332.381 2.650 50 5 EFBARN CCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002852358 209927997 /nfs/dbraw/zinc/92/79/97/209927997.db2.gz VQGSEIRGTOLTFW-UHFFFAOYSA-N 0 0 327.340 2.987 50 5 EFBARN CC[C@H](c1nc2c3ccccc3ncn2n1)n1nc([N+](=O)[O-])cc1C ZINC000002806645 209919516 /nfs/dbraw/zinc/91/95/16/209919516.db2.gz KGHHBRINFWMRTL-CYBMUJFWSA-N 0 0 337.343 2.690 50 5 EFBARN CC[C@@H](c1nc2c3ccccc3ncn2n1)n1nc([N+](=O)[O-])cc1C ZINC000002806644 209918871 /nfs/dbraw/zinc/91/88/71/209918871.db2.gz KGHHBRINFWMRTL-ZDUSSCGKSA-N 0 0 337.343 2.690 50 5 EFBARN CC(C)CNC(=O)c1cnn2c1nccc2-c1cccc([N+](=O)[O-])c1 ZINC000002798442 209916477 /nfs/dbraw/zinc/91/64/77/209916477.db2.gz TZSDFYCQCCSGNI-UHFFFAOYSA-N 0 0 339.355 2.690 50 5 EFBARN O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000002738881 209899759 /nfs/dbraw/zinc/89/97/59/209899759.db2.gz QPUSACCCBJGTRF-UHFFFAOYSA-N 0 0 327.296 2.702 50 5 EFBARN CCS(=O)(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040510030 213327149 /nfs/dbraw/zinc/32/71/49/213327149.db2.gz DBEJXCNNEONQQP-UHFFFAOYSA-N 0 0 334.353 2.641 50 5 EFBARN Cc1ccc(OCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000860134 209692296 /nfs/dbraw/zinc/69/22/96/209692296.db2.gz ATEABHJDXABPJB-UHFFFAOYSA-N 0 0 329.308 2.708 50 5 EFBARN C[C@H]1CCCN(c2nc(NC3CCCCC3)nc(N)c2[N+](=O)[O-])C1 ZINC000004306223 290455376 /nfs/dbraw/zinc/45/53/76/290455376.db2.gz LCTWQCUWABENJE-NSHDSACASA-N 0 0 334.424 2.948 50 5 EFBARN COc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1[N+](=O)[O-] ZINC000000456343 209611653 /nfs/dbraw/zinc/61/16/53/209611653.db2.gz PRDIZJHMRQPLQD-UHFFFAOYSA-N 0 0 343.339 2.838 50 5 EFBARN CN1c2ccccc2N(C(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000000238017 283265638 /nfs/dbraw/zinc/26/56/38/283265638.db2.gz NISJTNNYIYXNTE-UHFFFAOYSA-N 0 0 339.351 2.997 50 5 EFBARN CC1=NN(C(=O)c2ccccc2)[C@@](O)(c2ccc([N+](=O)[O-])cc2)C1 ZINC000000440682 209601114 /nfs/dbraw/zinc/60/11/14/209601114.db2.gz GKMHMKOVWXCQHI-KRWDZBQOSA-N 0 0 325.324 2.662 50 5 EFBARN CN[C@@H](C(=O)c1ccccc1)[C@@H](OC(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000035930453 213051950 /nfs/dbraw/zinc/05/19/50/213051950.db2.gz AQDBIAAXMGLEGF-WMZOPIPTSA-N 0 0 342.351 2.670 50 5 EFBARN C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccc(C(C)(C)C)cc1 ZINC000000374859 209557515 /nfs/dbraw/zinc/55/75/15/209557515.db2.gz NUUSDAHBZWJPKI-LBPRGKRZSA-N 0 0 330.388 2.966 50 5 EFBARN COC(=O)[C@H](CC(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000303025 209526413 /nfs/dbraw/zinc/52/64/13/209526413.db2.gz GXCIPISFQFCFNB-LBPRGKRZSA-N 0 0 328.752 2.566 50 5 EFBARN O=C(NCc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1Cl ZINC000000283112 209517253 /nfs/dbraw/zinc/51/72/53/209517253.db2.gz IBPOQUGGUHFTQG-UHFFFAOYSA-N 0 0 334.715 2.907 50 5 EFBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1 ZINC000000270900 209512992 /nfs/dbraw/zinc/51/29/92/209512992.db2.gz JIABFMRDXFPWMC-MEDUHNTESA-N 0 0 328.324 2.553 50 5 EFBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1COc2ccccc2O1 ZINC000000173794 209463394 /nfs/dbraw/zinc/46/33/94/209463394.db2.gz QAUMHRBQSUPHCA-BZNIZROVSA-N 0 0 328.324 2.553 50 5 EFBARN CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000178850 209467614 /nfs/dbraw/zinc/46/76/14/209467614.db2.gz FLIUPXFFDCLVLD-LKFCYVNXSA-N 0 0 333.344 2.564 50 5 EFBARN CC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)nc1C ZINC000000148470 209451616 /nfs/dbraw/zinc/45/16/16/209451616.db2.gz ZGZYIJMPLSJGGC-UHFFFAOYSA-N 0 0 335.341 2.580 50 5 EFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)OC12CCCCC2 ZINC000000093324 209416658 /nfs/dbraw/zinc/41/66/58/209416658.db2.gz NYDAEDZQKQFADH-GFCCVEGCSA-N 0 0 348.355 2.808 50 5 EFBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000000043066 209386731 /nfs/dbraw/zinc/38/67/31/209386731.db2.gz XQQRRONJFBQGJS-NSHDSACASA-N 0 0 343.314 2.726 50 5 EFBARN Nc1nc(Nc2ccccc2F)nc(N2CCCCC2)c1[N+](=O)[O-] ZINC000005165009 283690806 /nfs/dbraw/zinc/69/08/06/283690806.db2.gz CFZZEDXRRGACMR-UHFFFAOYSA-N 0 0 332.339 2.840 50 5 EFBARN O=C(c1ccccc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000019773722 212064582 /nfs/dbraw/zinc/06/45/82/212064582.db2.gz ZAMXHFFCXNWACY-UHFFFAOYSA-N 0 0 325.368 2.553 50 5 EFBARN O=C(c1ccc(F)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000019773889 212064118 /nfs/dbraw/zinc/06/41/18/212064118.db2.gz HKTIKOZEGRRAPX-UHFFFAOYSA-N 0 0 343.358 2.692 50 5 EFBARN CCC12CN3CC(CC)(CN(C1)C3c1ccccc1[N+](=O)[O-])C2=O ZINC000019319809 212015676 /nfs/dbraw/zinc/01/56/76/212015676.db2.gz OMAOQWWJLFXQEG-UHFFFAOYSA-N 0 0 329.400 2.600 50 5 biogenic EFBARN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(Br)c1 ZINC000049419720 214007476 /nfs/dbraw/zinc/00/74/76/214007476.db2.gz NUCARYALBPGZFM-UHFFFAOYSA-N 0 0 339.149 2.501 50 5 EFBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=N[C@H](C)c1ccccc1 ZINC000018137474 211983995 /nfs/dbraw/zinc/98/39/95/211983995.db2.gz QXKSJFAEIDWAKD-KELUXRKGSA-N 0 0 348.406 2.588 50 5 EFBARN Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000009699788 211116587 /nfs/dbraw/zinc/11/65/87/211116587.db2.gz CEISJEMIZBGIQU-CYBMUJFWSA-N 0 0 339.351 2.895 50 5 EFBARN O=C(Nc1nnc(-c2cccnc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000009349920 211071525 /nfs/dbraw/zinc/07/15/25/211071525.db2.gz KBLXMCJSGCTWJN-UHFFFAOYSA-N 0 0 327.325 2.761 50 5 EFBARN O=C(Nc1nc2scc(-c3ccc([N+](=O)[O-])cc3)n2n1)C1CC1 ZINC000094986176 218271642 /nfs/dbraw/zinc/27/16/42/218271642.db2.gz WUGHQDVCNJPGAN-UHFFFAOYSA-N 0 0 329.341 2.715 50 5 EFBARN O=Cc1ccc([N+](=O)[O-])cc1N1CCN(Cc2ccccc2)CC1 ZINC000095080976 218274932 /nfs/dbraw/zinc/27/49/32/218274932.db2.gz NNUOGOTVDFUJRJ-UHFFFAOYSA-N 0 0 325.368 2.730 50 5 EFBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccnn1C1CCCC1 ZINC000007168355 210764959 /nfs/dbraw/zinc/76/49/59/210764959.db2.gz FVVVTWAXUTYTEG-UHFFFAOYSA-N 0 0 330.344 2.924 50 5 EFBARN COc1n[nH]c(C(=O)NCc2ccc(Cl)c(Cl)c2)c1[N+](=O)[O-] ZINC000006381601 210626736 /nfs/dbraw/zinc/62/67/36/210626736.db2.gz QVZARHLETVNLAM-UHFFFAOYSA-N 0 0 345.142 2.563 50 5 EFBARN CCOCC(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000005077787 210385511 /nfs/dbraw/zinc/38/55/11/210385511.db2.gz VIESSFWRPNLGRG-UHFFFAOYSA-N 0 0 348.384 2.502 50 5 EFBARN C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C(=O)O1 ZINC000005064928 210381794 /nfs/dbraw/zinc/38/17/94/210381794.db2.gz OKDQBZHWPXBWKH-QGZVFWFLSA-N 0 0 326.308 2.705 50 5 EFBARN CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCCC1 ZINC000005012053 210360278 /nfs/dbraw/zinc/36/02/78/210360278.db2.gz MYQQRGBQUJDYCC-WJDWOHSUSA-N 0 0 331.372 2.521 50 5 EFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)O[C@H]1c1ccccc1 ZINC000004845678 210297516 /nfs/dbraw/zinc/29/75/16/210297516.db2.gz VSUVQNJWUMYAEJ-HOCLYGCPSA-N 0 0 326.308 2.838 50 5 EFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)O[C@H]1c1ccccc1 ZINC000004845676 210297064 /nfs/dbraw/zinc/29/70/64/210297064.db2.gz VSUVQNJWUMYAEJ-ZBFHGGJFSA-N 0 0 326.308 2.838 50 5 EFBARN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000004753773 210270276 /nfs/dbraw/zinc/27/02/76/210270276.db2.gz SODXMBZIJOERIS-UHFFFAOYSA-N 0 0 346.677 2.598 50 5 EFBARN O=C1c2ccccc2C(=O)N1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000004757747 210272910 /nfs/dbraw/zinc/27/29/10/210272910.db2.gz MAECRWWGEVYCNP-UHFFFAOYSA-N 0 0 325.324 2.693 50 5 EFBARN O=c1/c(=C/C=C/c2ccc([N+](=O)[O-])o2)sc2nc3ccccc3n12 ZINC000005965657 285192456 /nfs/dbraw/zinc/19/24/56/285192456.db2.gz SOHBCGDEDNAMIQ-ZPGGVYHDSA-N 0 0 339.332 2.623 50 5 EFBARN COc1ccc(CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000011565659 258054371 /nfs/dbraw/zinc/05/43/71/258054371.db2.gz WEEZFHDKKTUHKX-UHFFFAOYSA-N 0 0 343.335 2.962 50 5 EFBARN COc1cccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000054992641 132192959 /nfs/dbraw/zinc/19/29/59/132192959.db2.gz WCUGAMVZHSLFPF-UHFFFAOYSA-N 0 0 327.384 2.926 50 5 EFBARN C[C@H]1Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2N(C)C1=O ZINC000041014430 132408057 /nfs/dbraw/zinc/40/80/57/132408057.db2.gz IXADYFJHBHQUCC-SNVBAGLBSA-N 0 0 341.323 2.591 50 5 EFBARN O=C(Nc1ccccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000002819314 135658853 /nfs/dbraw/zinc/65/88/53/135658853.db2.gz JLJLNIVXUPAMTC-UHFFFAOYSA-N 0 0 327.340 2.684 50 5 aggregator EFBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2ccccn2)CC1 ZINC000004953576 135668192 /nfs/dbraw/zinc/66/81/92/135668192.db2.gz JCZPTOPPTOWQOQ-UHFFFAOYSA-N 0 0 346.774 2.606 50 5 EFBARN CCn1c2ccccc2c(N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1=O ZINC000005575311 135672161 /nfs/dbraw/zinc/67/21/61/135672161.db2.gz ROIBSINOSDLAPF-RYUDHWBXSA-N 0 0 331.372 2.543 50 5 EFBARN Cc1ccc(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000004313652 292080457 /nfs/dbraw/zinc/08/04/57/292080457.db2.gz TVZUNWVYDPOKLT-UHFFFAOYSA-N 0 0 326.352 2.971 50 5 EFBARN CC[C@H](C)OC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000004913313 287625358 /nfs/dbraw/zinc/62/53/58/287625358.db2.gz NKQQPQURILVHAS-GXFFZTMASA-N 0 0 332.356 2.814 50 5 EFBARN COc1cc([N+](=O)[O-])cc2c1NC(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000006906554 274099403 /nfs/dbraw/zinc/09/94/03/274099403.db2.gz WKJLGAYDPUABOK-UHFFFAOYSA-N 0 0 330.256 2.678 50 5 EFBARN O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(F)cc3)=Nc3nnnn32)c1 ZINC000101074665 275039705 /nfs/dbraw/zinc/03/97/05/275039705.db2.gz ODOZOQHAJDCZBU-OAHLLOKOSA-N 0 0 338.302 2.776 50 5 EFBARN CCN1C(=O)C(=C2SC(=S)NC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000004845346 276145569 /nfs/dbraw/zinc/14/55/69/276145569.db2.gz CQPCLQXICCBRRC-KTKRTIGZSA-N 0 0 335.366 2.661 50 5 EFBARN CC(C)(CO)N1COc2ccc3c4ccccc4c(=O)oc3c2C1 ZINC000057135113 277304146 /nfs/dbraw/zinc/30/41/46/277304146.db2.gz RSGWRANAUQVEFW-UHFFFAOYSA-N 0 0 325.364 2.869 50 5 EFBARN CC(C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000000463402 278141917 /nfs/dbraw/zinc/14/19/17/278141917.db2.gz XLQYNWJRBUWNPL-ZDUSSCGKSA-N 0 0 348.384 2.853 50 5 EFBARN CC(C)n1[nH]c(=O)c2c1NC(=O)CS[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000005686033 278142000 /nfs/dbraw/zinc/14/20/00/278142000.db2.gz ARYVKDDMYXSLLM-ZDUSSCGKSA-N 0 0 348.384 2.853 50 5 EFBARN C[C@H]1Oc2ccccc2C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000006719703 280080613 /nfs/dbraw/zinc/08/06/13/280080613.db2.gz LKEPOPSSZUOESL-LLVKDONJSA-N 0 0 326.308 2.545 50 5 EFBARN O=[N+]([O-])c1nc(Br)n(C23CC4CC(CC(C4)C2)C3)n1 ZINC000000109529 280383888 /nfs/dbraw/zinc/38/38/88/280383888.db2.gz JOYREPAPBAQBHG-UHFFFAOYSA-N 0 0 327.182 2.874 50 5 EFBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O ZINC000096191678 473332413 /nfs/dbraw/zinc/33/24/13/473332413.db2.gz ZEUMCYLXRXCDKF-UHFFFAOYSA-N 0 0 335.747 2.796 50 5 EFBARN Cn1c(=O)nc2n(-c3cccc(Cl)c3)c3ccccc3cc-2c1=O ZINC000000078723 471320698 /nfs/dbraw/zinc/32/06/98/471320698.db2.gz NVLYNYYHUQUSSE-UHFFFAOYSA-N 0 0 337.766 2.843 50 5 EFBARN O=C1CC[C@H]([N+](=O)[O-])[C@H](c2ccc(OCc3ccccc3)cc2)N1 ZINC000000089579 471321526 /nfs/dbraw/zinc/32/15/26/471321526.db2.gz FVICUYAPMJJFFN-WMZOPIPTSA-N 0 0 326.352 2.862 50 5 EFBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000000101164 471323423 /nfs/dbraw/zinc/32/34/23/471323423.db2.gz FKGASZQZQFCFGC-CQSZACIVSA-N 0 0 339.351 2.582 50 5 EFBARN CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1C ZINC000000124189 471326554 /nfs/dbraw/zinc/32/65/54/471326554.db2.gz PAMHMEJHODULOD-HNNXBMFYSA-N 0 0 347.371 2.764 50 5 EFBARN CCOC(=O)[C@H](CC)Oc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-] ZINC000000151044 471329436 /nfs/dbraw/zinc/32/94/36/471329436.db2.gz LWNYNGSVRUMXHE-LBPRGKRZSA-N 0 0 335.312 2.730 50 5 EFBARN COc1cccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000000169415 471330500 /nfs/dbraw/zinc/33/05/00/471330500.db2.gz XIJFQUIYWGHABG-UHFFFAOYSA-N 0 0 341.411 2.921 50 5 EFBARN CCCC1=C(C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000000175944 471330965 /nfs/dbraw/zinc/33/09/65/471330965.db2.gz UMWRXSTUWPHNJL-AWEZNQCLSA-N 0 0 333.344 2.566 50 5 EFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1OC(C)=O ZINC000000183823 471332433 /nfs/dbraw/zinc/33/24/33/471332433.db2.gz WOAHWECPHTXLDB-UHFFFAOYSA-N 0 0 330.296 2.781 50 5 EFBARN CCOC(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000000183908 471332626 /nfs/dbraw/zinc/33/26/26/471332626.db2.gz TYULCXNRECJWGR-UHFFFAOYSA-N 0 0 328.324 2.953 50 5 EFBARN COc1ccc(Cl)cc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000000196116 471333478 /nfs/dbraw/zinc/33/34/78/471333478.db2.gz YPRJIDSLFKJXEI-UHFFFAOYSA-N 0 0 338.751 2.709 50 5 EFBARN Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000000224811 471338547 /nfs/dbraw/zinc/33/85/47/471338547.db2.gz GLKSTKBJIBVKEJ-UHFFFAOYSA-N 0 0 348.380 2.706 50 5 EFBARN COc1cccc(-c2noc(Cn3nc(C)c([N+](=O)[O-])c3C)n2)c1 ZINC000000386266 471354073 /nfs/dbraw/zinc/35/40/73/471354073.db2.gz DDVRVEOEJKWZST-UHFFFAOYSA-N 0 0 329.316 2.515 50 5 EFBARN O=C(NCCc1ccccc1)c1ccc2nc3ccccc3c(=O)n2c1 ZINC000000422914 471357827 /nfs/dbraw/zinc/35/78/27/471357827.db2.gz MCCMUFSXCPQWFZ-UHFFFAOYSA-N 0 0 343.386 2.820 50 5 EFBARN COc1cc(C(=O)NCc2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000000445154 471361193 /nfs/dbraw/zinc/36/11/93/471361193.db2.gz LIFBLLGUIDFGMX-UHFFFAOYSA-N 0 0 330.340 2.850 50 5 EFBARN O=C(Nc1ccccc1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000000448539 471361323 /nfs/dbraw/zinc/36/13/23/471361323.db2.gz YXMZGYPLPFNODI-GFCCVEGCSA-N 0 0 325.324 2.586 50 5 EFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1cccc(Cl)c1 ZINC000000461456 471363559 /nfs/dbraw/zinc/36/35/59/471363559.db2.gz VJYYDQDTYILRFJ-UHFFFAOYSA-N 0 0 340.788 2.769 50 5 EFBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2cccc(Cl)c2)cc1 ZINC000000474173 471364160 /nfs/dbraw/zinc/36/41/60/471364160.db2.gz XPGXQHGCSABWPY-UHFFFAOYSA-N 0 0 340.788 2.769 50 5 EFBARN Cc1cccc(C)c1NC(=O)[C@H](NC=O)c1cccc([N+](=O)[O-])c1 ZINC000000499971 471366351 /nfs/dbraw/zinc/36/63/51/471366351.db2.gz YFMKMEDUNMTROK-MRXNPFEDSA-N 0 0 327.340 2.637 50 5 EFBARN Cc1cccc(C)c1NC(=O)[C@@H](NC=O)c1ccc([N+](=O)[O-])cc1 ZINC000000500474 471366804 /nfs/dbraw/zinc/36/68/04/471366804.db2.gz ZUJPELOCEJVEJC-INIZCTEOSA-N 0 0 327.340 2.637 50 5 EFBARN COn1c(=O)c2ccccc2nc1SCc1ccc([N+](=O)[O-])cc1 ZINC000000531822 471368685 /nfs/dbraw/zinc/36/86/85/471368685.db2.gz NQCIXCSAKOBDFM-UHFFFAOYSA-N 0 0 343.364 2.655 50 5 EFBARN O=[N+]([O-])c1cccc(C2=Nn3c(nnc3-c3ccco3)SC2)c1 ZINC000000545777 471369803 /nfs/dbraw/zinc/36/98/03/471369803.db2.gz XVBZVXXOXKQSNF-UHFFFAOYSA-N 0 0 327.325 2.804 50 5 EFBARN Cc1ccccc1OCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000572099 471372409 /nfs/dbraw/zinc/37/24/09/471372409.db2.gz XOVAVNXXLMHEBL-UHFFFAOYSA-N 0 0 329.308 2.708 50 5 EFBARN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000903616 471377872 /nfs/dbraw/zinc/37/78/72/471377872.db2.gz QMTPUVZLHFTUES-UHFFFAOYSA-N 0 0 328.250 2.757 50 5 EFBARN CCn1cc([N+](=O)[O-])c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)n1 ZINC000001002613 471378703 /nfs/dbraw/zinc/37/87/03/471378703.db2.gz JENPONZJYFEBPZ-JTQLQIEISA-N 0 0 332.335 2.932 50 5 EFBARN Cc1nn(CC(=O)Nc2nc3ccccc3s2)c(C)c1[N+](=O)[O-] ZINC000001067743 471380727 /nfs/dbraw/zinc/38/07/27/471380727.db2.gz DPWGRICXIABTCU-UHFFFAOYSA-N 0 0 331.357 2.657 50 5 EFBARN O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1nc2ccccc2s1 ZINC000001067270 471380895 /nfs/dbraw/zinc/38/08/95/471380895.db2.gz IZMQKFQHWBTMSS-UHFFFAOYSA-N 0 0 331.357 2.820 50 5 EFBARN C[C@@H](CNC(=O)c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000001121170 471382698 /nfs/dbraw/zinc/38/26/98/471382698.db2.gz JCHHLBASVILAJH-NSHDSACASA-N 0 0 328.324 2.857 50 5 EFBARN CC1(C)CC2(C[C@H](c3ccc4c(c3)OCO4)[C@@H]1[N+](=O)[O-])OCCO2 ZINC000001425872 471390496 /nfs/dbraw/zinc/39/04/96/471390496.db2.gz HSWNWAPEMBLGIW-DOMZBBRYSA-N 0 0 335.356 2.707 50 5 EFBARN NC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000001466004 471392617 /nfs/dbraw/zinc/39/26/17/471392617.db2.gz UYZQNCIMGGASIX-UHFFFAOYSA-N 0 0 345.380 2.886 50 5 EFBARN COc1cc(OC)c([N+](=O)[O-])cc1C=C1SC(=S)NC1=O ZINC000002301863 471405992 /nfs/dbraw/zinc/40/59/92/471405992.db2.gz DBMCXFNFJPZBJR-ONNFQVAWSA-N 0 0 326.355 2.941 50 5 EFBARN O=C(Oc1ccc2nsnc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002349735 471406751 /nfs/dbraw/zinc/40/67/51/471406751.db2.gz CMBGRSIYTWHNCS-UHFFFAOYSA-N 0 0 346.280 2.727 50 5 EFBARN Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CCN1C(=O)OC(C)(C)[C@@]1(C)O ZINC000002545793 471410858 /nfs/dbraw/zinc/41/08/58/471410858.db2.gz PQWKJLYHYFPUPI-QGZVFWFLSA-N 0 0 347.371 2.866 50 5 EFBARN COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(C)nn2C ZINC000002741103 471419109 /nfs/dbraw/zinc/41/91/09/471419109.db2.gz QUSKCEBZYGKHSN-UHFFFAOYSA-N 0 0 326.312 2.639 50 5 EFBARN COc1ccc(C(C)(C)C)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000002761471 471420212 /nfs/dbraw/zinc/42/02/12/471420212.db2.gz DIXVWUXCPISXTF-UHFFFAOYSA-N 0 0 332.360 2.887 50 5 EFBARN Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1nccs1 ZINC000002795397 471422540 /nfs/dbraw/zinc/42/25/40/471422540.db2.gz KIWWKBVRPSTUEJ-UHFFFAOYSA-N 0 0 343.368 2.857 50 5 EFBARN CCOC(=O)C1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000002839032 471424029 /nfs/dbraw/zinc/42/40/29/471424029.db2.gz ZIXKAXSFKIRYJL-LBPRGKRZSA-N 0 0 334.372 2.500 50 5 EFBARN CC[C@@H](Sc1nnc(N)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002846976 471425379 /nfs/dbraw/zinc/42/53/79/471425379.db2.gz YUFCRDNYHIUNRO-SECBINFHSA-N 0 0 339.402 2.538 50 5 EFBARN CC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000002875503 471426133 /nfs/dbraw/zinc/42/61/33/471426133.db2.gz SCCWFWRARNCYBF-UHFFFAOYSA-N 0 0 327.340 2.985 50 5 EFBARN COCCN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O ZINC000002881238 471426400 /nfs/dbraw/zinc/42/64/00/471426400.db2.gz OUUUXDCWLOVYQF-UHFFFAOYSA-N 0 0 342.307 2.630 50 5 EFBARN O=Cc1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000002993443 471429857 /nfs/dbraw/zinc/42/98/57/471429857.db2.gz JPVZUDPUNRAWAJ-UHFFFAOYSA-N 0 0 327.325 2.534 50 5 EFBARN COc1cc(C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000002989927 471430878 /nfs/dbraw/zinc/43/08/78/471430878.db2.gz GXOYILHSHHQQMD-UHFFFAOYSA-N 0 0 348.330 2.724 50 5 EFBARN CN(CCOc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003096315 471432123 /nfs/dbraw/zinc/43/21/23/471432123.db2.gz FKWAYLIFHQRYAQ-UHFFFAOYSA-N 0 0 345.311 2.654 50 5 EFBARN O=C(C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc2[C@@H]1C[N+](=O)[O-] ZINC000003110501 471432771 /nfs/dbraw/zinc/43/27/71/471432771.db2.gz NHQYQCDDWVCHQU-INIZCTEOSA-N 0 0 347.371 2.878 50 5 EFBARN O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1ccccc1[N+](=O)[O-] ZINC000003121736 471433367 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CC1CCN(c2nc(N)c([N+](=O)[O-])c(NC3CCCCC3)n2)CC1 ZINC000006388472 471542747 /nfs/dbraw/zinc/54/27/47/471542747.db2.gz WMTXELYMQPRZIZ-UHFFFAOYSA-N 0 0 334.424 2.948 50 5 EFBARN O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000006506007 471548537 /nfs/dbraw/zinc/54/85/37/471548537.db2.gz YBWNEMPUBOWRIW-UHFFFAOYSA-N 0 0 336.760 2.770 50 5 EFBARN Cc1nc2cc([N+](=O)[O-])cc(NCCc3ccccc3)c2c(=O)n1C ZINC000006659199 471556936 /nfs/dbraw/zinc/55/69/36/471556936.db2.gz DYKGQOLOVLVEIL-UHFFFAOYSA-N 0 0 338.367 2.805 50 5 EFBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000008397714 471686689 /nfs/dbraw/zinc/68/66/89/471686689.db2.gz DBTYVPVHEPZTLO-UHFFFAOYSA-N 0 0 346.255 2.972 50 5 EFBARN COC(=O)c1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1 ZINC000008743453 471704272 /nfs/dbraw/zinc/70/42/72/471704272.db2.gz HGSSGSZNIVJOQS-UHFFFAOYSA-N 0 0 347.352 2.507 50 5 EFBARN COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCCCC3)n2)cc1 ZINC000009287670 471713459 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O=[N+]([O-])c1ccc([C@H]2OC[C@H](O)[C@H](c3ccc([N+](=O)[O-])cc3)O2)cc1 ZINC000003901137 210087903 /nfs/dbraw/zinc/08/79/03/210087903.db2.gz QVVFGNQCCALSJP-JYJNAYRXSA-N 0 0 346.295 2.651 50 5 EFBARN O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003880004 210083318 /nfs/dbraw/zinc/08/33/18/210083318.db2.gz GUIBVPPOKNFZER-UHFFFAOYSA-N 0 0 329.331 2.696 50 5 EFBARN COc1cc([N+](=O)[O-])cc2c1NC(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000003878807 210082184 /nfs/dbraw/zinc/08/21/84/210082184.db2.gz PQXGDQYDXIYBFA-UHFFFAOYSA-N 0 0 330.256 2.678 50 5 EFBARN C[C@@H]1CCC[C@H](NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)[C@H]1C ZINC000102606566 219214196 /nfs/dbraw/zinc/21/41/96/219214196.db2.gz COOCAAQRPUONQQ-XUJVJEKNSA-N 0 0 346.387 2.987 50 5 EFBARN Cc1cc(Br)ccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000002883391 209936609 /nfs/dbraw/zinc/93/66/09/209936609.db2.gz YQWWUHSFMOPQFO-UHFFFAOYSA-N 0 0 339.149 2.501 50 5 EFBARN Cc1nn(C)c(C)c1CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000002762992 209905358 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2.878 50 5 EFBARN O=C(CCCn1cnc([N+](=O)[O-])n1)Nc1ccc(Cl)c(Cl)c1 ZINC000000215126 471337002 /nfs/dbraw/zinc/33/70/02/471337002.db2.gz MVEATXROYCMTPN-UHFFFAOYSA-N 0 0 344.158 2.912 50 5 EFBARN CCOC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000000285207 471343246 /nfs/dbraw/zinc/34/32/46/471343246.db2.gz PLTFXFUCXCPWRZ-UHFFFAOYSA-N 0 0 340.291 2.572 50 5 EFBARN CCc1c(C)sc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C(N)=O ZINC000000311645 471346861 /nfs/dbraw/zinc/34/68/61/471346861.db2.gz OYEAZBBEDJMGQN-UHFFFAOYSA-N 0 0 333.369 2.878 50 5 EFBARN CCOc1ccc([C@H]2C([N+](=O)[O-])=C(C)N(C)C(=O)N2C)cc1OC ZINC000000334919 471348748 /nfs/dbraw/zinc/34/87/48/471348748.db2.gz APQSBIWSPAOSRK-HNNXBMFYSA-N 0 0 335.360 2.640 50 5 EFBARN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1F ZINC000000361089 471350242 /nfs/dbraw/zinc/35/02/42/471350242.db2.gz TYUVMPIYKFBLEE-UHFFFAOYSA-N 0 0 337.307 3.000 50 5 EFBARN Cc1sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1C ZINC000000437393 471360073 /nfs/dbraw/zinc/36/00/73/471360073.db2.gz VDUYCGYCFGOFJD-UHFFFAOYSA-N 0 0 333.369 2.553 50 5 EFBARN COC(=O)c1cc(C(=O)N(C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000000434423 471360330 /nfs/dbraw/zinc/36/03/30/471360330.db2.gz LSTMTMJTELSXGN-UHFFFAOYSA-N 0 0 328.324 2.654 50 5 EFBARN Cn1c(=O)nc2n(-c3ccccc3)c3cc(Cl)ccc3cc-2c1=O ZINC000000428961 471360347 /nfs/dbraw/zinc/36/03/47/471360347.db2.gz PYDGCGLSTRWGDV-UHFFFAOYSA-N 0 0 337.766 2.843 50 5 EFBARN COc1ccc(CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000000447625 471361054 /nfs/dbraw/zinc/36/10/54/471361054.db2.gz NHQSYTKZMGPLTH-UHFFFAOYSA-N 0 0 344.367 2.893 50 5 EFBARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000000455834 471361920 /nfs/dbraw/zinc/36/19/20/471361920.db2.gz DXHPANJSEMRWAH-SNVBAGLBSA-N 0 0 340.763 2.664 50 5 EFBARN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000468905 471363584 /nfs/dbraw/zinc/36/35/84/471363584.db2.gz AWWQOOIRXJLKPO-UHFFFAOYSA-N 0 0 327.340 2.985 50 5 EFBARN O=C(NC(=S)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000513276 471367664 /nfs/dbraw/zinc/36/76/64/471367664.db2.gz OHJSWYXGZHREKK-UHFFFAOYSA-N 0 0 327.365 2.672 50 5 EFBARN Cc1cc(C)n(-c2cc(Sc3nncn3C)ccc2[N+](=O)[O-])n1 ZINC000001071090 471380882 /nfs/dbraw/zinc/38/08/82/471380882.db2.gz OYAGFCBAHSWCIB-UHFFFAOYSA-N 0 0 330.373 2.677 50 5 EFBARN O=C(c1ccccc1Oc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000001061895 471381146 /nfs/dbraw/zinc/38/11/46/471381146.db2.gz AWWUTIFRJPXQJR-UHFFFAOYSA-N 0 0 328.324 2.860 50 5 EFBARN COc1cc(C=C2SC(=S)NC2=O)c([N+](=O)[O-])cc1OC ZINC000001194415 471381979 /nfs/dbraw/zinc/38/19/79/471381979.db2.gz PDHLPWGLBDIAAP-ONNFQVAWSA-N 0 0 326.355 2.941 50 5 EFBARN CCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@](O)(C(C)(C)C)C1 ZINC000001100264 471382533 /nfs/dbraw/zinc/38/25/33/471382533.db2.gz NFRZVSOKIXLQQY-KRWDZBQOSA-N 0 0 333.388 2.870 50 5 EFBARN O=[N+]([O-])[C@@H]1CS(=O)(=O)C=C1N(Cc1ccccc1)c1ccccc1 ZINC000001229185 471383433 /nfs/dbraw/zinc/38/34/33/471383433.db2.gz UBKKTSOMBTWEMY-QGZVFWFLSA-N 0 0 344.392 2.608 50 5 EFBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000001313100 471384780 /nfs/dbraw/zinc/38/47/80/471384780.db2.gz HFIJFVCUCBGVGR-UHFFFAOYSA-N 0 0 330.252 2.543 50 5 EFBARN COc1ccccc1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C ZINC000001429820 471391162 /nfs/dbraw/zinc/39/11/62/471391162.db2.gz FAIUNZCGODFTGK-UHFFFAOYSA-N 0 0 332.360 2.836 50 5 EFBARN COCCn1c(=O)c2c(=O)c3ccccc3sc2nc1C(C)C ZINC000002328130 471405741 /nfs/dbraw/zinc/40/57/41/471405741.db2.gz LYWXOFUDUMPXED-UHFFFAOYSA-N 0 0 330.409 2.741 50 5 EFBARN COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1[N+](=O)[O-] ZINC000002530703 471411077 /nfs/dbraw/zinc/41/10/77/471411077.db2.gz UMQHJQGNGLQJPF-UHFFFAOYSA-N 0 0 344.323 2.847 50 5 world EFBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCS[C@H]1c1ccco1 ZINC000002696760 471417774 /nfs/dbraw/zinc/41/77/74/471417774.db2.gz IAQNMSQQMKJGHJ-AWEZNQCLSA-N 0 0 349.324 2.984 50 5 EFBARN O=C(Nc1nccs1)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 ZINC000002728313 471418933 /nfs/dbraw/zinc/41/89/33/471418933.db2.gz ZVACBTJJJNKNKK-UHFFFAOYSA-N 0 0 328.693 2.865 50 5 EFBARN C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000002754462 471418989 /nfs/dbraw/zinc/41/89/89/471418989.db2.gz HSPPUSZOYWFMNN-ZDUSSCGKSA-N 0 0 334.397 2.894 50 5 EFBARN CCn1ncc([N+](=O)[O-])c1C(=O)Nc1nc2c(cccc2C)s1 ZINC000002755353 471419360 /nfs/dbraw/zinc/41/93/60/471419360.db2.gz WVQJIMSGKFHQEV-UHFFFAOYSA-N 0 0 331.357 2.982 50 5 EFBARN C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000002754463 471419382 /nfs/dbraw/zinc/41/93/82/471419382.db2.gz HSPPUSZOYWFMNN-CYBMUJFWSA-N 0 0 334.397 2.894 50 5 EFBARN CCn1ncc(CN(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1C ZINC000002761338 471420139 /nfs/dbraw/zinc/42/01/39/471420139.db2.gz VABQCJHNFCCSJZ-JXMROGBWSA-N 0 0 328.372 2.791 50 5 EFBARN COC(=O)c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002779488 471420406 /nfs/dbraw/zinc/42/04/06/471420406.db2.gz IXMQEFQXINZQBS-UHFFFAOYSA-N 0 0 346.251 2.509 50 5 EFBARN Cc1nn(C[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c(C)c1[N+](=O)[O-] ZINC000002794711 471422095 /nfs/dbraw/zinc/42/20/95/471422095.db2.gz OINYIBUJUHLMOH-QMMMGPOBSA-N 0 0 338.314 2.961 50 5 EFBARN O=C(COc1ccc([N+](=O)[O-])cc1)NC1C2CC3CC(C2)CC1C3 ZINC000002837911 471423682 /nfs/dbraw/zinc/42/36/82/471423682.db2.gz HFXVIPUTBPJFQH-UHFFFAOYSA-N 0 0 330.384 2.915 50 5 EFBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSc1ccccn1 ZINC000002947689 471429214 /nfs/dbraw/zinc/42/92/14/471429214.db2.gz TZBQVEYLJGCWLU-RMKNXTFCSA-N 0 0 329.381 2.912 50 5 EFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCSc1ccccc1 ZINC000002979133 471430731 /nfs/dbraw/zinc/43/07/31/471430731.db2.gz FCUMALQWXSSQMS-UHFFFAOYSA-N 0 0 338.410 2.665 50 5 EFBARN Nc1nc(NCc2ccco2)nc(N2CCCCCC2)c1[N+](=O)[O-] ZINC000004305949 471462279 /nfs/dbraw/zinc/46/22/79/471462279.db2.gz FNWQADSOYBNCTI-UHFFFAOYSA-N 0 0 332.364 2.553 50 5 EFBARN C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccccc3)n2)C1 ZINC000004306310 471463097 /nfs/dbraw/zinc/46/30/97/471463097.db2.gz MLSUUQXTTVBSIG-NSHDSACASA-N 0 0 328.376 2.947 50 5 EFBARN O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000004543935 471468714 /nfs/dbraw/zinc/46/87/14/471468714.db2.gz NZFHTAKURIYZRO-UHFFFAOYSA-N 0 0 347.321 2.835 50 5 EFBARN Cc1cc(N2CCN(C(=O)c3ccco3)CC2)c(F)cc1[N+](=O)[O-] ZINC000004624315 471470270 /nfs/dbraw/zinc/47/02/70/471470270.db2.gz QJCMEGXYGIHDPN-UHFFFAOYSA-N 0 0 333.319 2.598 50 5 EFBARN CN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000004747857 471474013 /nfs/dbraw/zinc/47/40/13/471474013.db2.gz IHHSDQRHOKGQHM-UHFFFAOYSA-N 0 0 347.415 2.836 50 5 EFBARN O=C(Nc1ccccc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004841286 471476251 /nfs/dbraw/zinc/47/62/51/471476251.db2.gz GVVBUHNEONCLFA-UHFFFAOYSA-N 0 0 345.330 2.823 50 5 EFBARN CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005208330 471491985 /nfs/dbraw/zinc/49/19/85/471491985.db2.gz BSIVTEBZXZGXFG-UHFFFAOYSA-N 0 0 337.335 2.709 50 5 EFBARN CN(C)c1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005569737 471511057 /nfs/dbraw/zinc/51/10/57/471511057.db2.gz TYTWSIIXDKVRNB-UHFFFAOYSA-N 0 0 344.396 2.788 50 5 EFBARN C[C@H]1CCCN(c2nc(N)c([N+](=O)[O-])c(NC3CCCCC3)n2)C1 ZINC000006571951 471551511 /nfs/dbraw/zinc/55/15/11/471551511.db2.gz KNQBBTKPWIZSHK-NSHDSACASA-N 0 0 334.424 2.948 50 5 EFBARN Cn1c(CCNC(=O)Nc2ccccc2)nc2cc([N+](=O)[O-])ccc21 ZINC000006665182 471559072 /nfs/dbraw/zinc/55/90/72/471559072.db2.gz PJVGTHCOCAVKKL-UHFFFAOYSA-N 0 0 339.355 2.846 50 5 EFBARN C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000006850937 471574095 /nfs/dbraw/zinc/57/40/95/471574095.db2.gz IJPWMLRLQSCWEZ-IHWZXDPASA-N 0 0 346.431 2.760 50 5 EFBARN Cc1nn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2c1[C@@H]1[C@H](C2)C1(C)C ZINC000016034908 471924819 /nfs/dbraw/zinc/92/48/19/471924819.db2.gz MIPYCGDLPUWLIS-WFASDCNBSA-N 0 0 347.396 2.632 50 5 EFBARN C[C@@H]1Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2N(C)C1=O ZINC000041014801 472043406 /nfs/dbraw/zinc/04/34/06/472043406.db2.gz RDCZEBIQROIHSG-JTQLQIEISA-N 0 0 341.323 2.591 50 5 EFBARN C[C@H]1Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2N(C)C1=O ZINC000041014796 472043743 /nfs/dbraw/zinc/04/37/43/472043743.db2.gz RDCZEBIQROIHSG-SNVBAGLBSA-N 0 0 341.323 2.591 50 5 EFBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000044682013 472331046 /nfs/dbraw/zinc/33/10/46/472331046.db2.gz XCHLNGBTHLJLFG-UHFFFAOYSA-N 0 0 328.693 2.865 50 5 in-vitro EFBARN Cc1cc2c(c(=O)n1C)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)CC(=O)O2 ZINC000524734170 478390264 /nfs/dbraw/zinc/39/02/64/478390264.db2.gz FHWXDPXPMIVSQS-LLVKDONJSA-N 0 0 348.742 2.696 50 5 EFBARN Cc1noc([C@@H](C)NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1 ZINC000585134393 479295700 /nfs/dbraw/zinc/29/57/00/479295700.db2.gz QJUNAXASTBGGQR-RXMQYKEDSA-N 0 0 328.687 2.570 50 5 EFBARN COc1ccc(-c2nn3cnc4ccc(Cl)cc4c3nc2=O)cc1 ZINC000585157930 479302581 /nfs/dbraw/zinc/30/25/81/479302581.db2.gz OVWQISHWTJHDSO-UHFFFAOYSA-N 0 0 338.754 2.967 50 5 EFBARN COc1ccccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000000083311 524551622 /nfs/dbraw/zinc/55/16/22/524551622.db2.gz IMTAQEITLHUVOL-UHFFFAOYSA-N 0 0 341.367 2.566 50 5 EFBARN COc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1[N+](=O)[O-] ZINC000000176749 1301716275 /nfs/dbraw/zinc/71/62/75/1301716275.db2.gz YETNOSQFJWYCSI-UHFFFAOYSA-N 0 0 325.324 2.948 50 5 EFBARN O=C1c2ccccc2C(=O)N1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004566499 210222022 /nfs/dbraw/zinc/22/20/22/210222022.db2.gz LQPHQGHPVQYLEK-UHFFFAOYSA-N 0 0 331.715 2.914 50 5 EFBARN Cc1c(C)n2c(nnc2SCc2cccc([N+](=O)[O-])c2)[nH]c1=O ZINC000004250435 210152897 /nfs/dbraw/zinc/15/28/97/210152897.db2.gz YSFOOKBIJYBMHA-UHFFFAOYSA-N 0 0 331.357 2.647 50 5 EFBARN Cc1cccn2cc(CCNC(=O)c3ccc([N+](=O)[O-])c(C)c3)nc12 ZINC000004248467 210151620 /nfs/dbraw/zinc/15/16/20/210151620.db2.gz ZTCBAAXTRHUGCA-UHFFFAOYSA-N 0 0 338.367 2.832 50 5 EFBARN Cc1cc(OC(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248383 210151697 /nfs/dbraw/zinc/15/16/97/210151697.db2.gz KZXFFPOINQPNAO-UHFFFAOYSA-N 0 0 342.229 2.830 50 5 EFBARN O=C(c1ccccc1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000009426213 201778375 /nfs/dbraw/zinc/77/83/75/201778375.db2.gz FZMRHLPBIBCICJ-UHFFFAOYSA-N 0 0 339.351 2.541 50 5 EFBARN COc1ccc(NC(=O)c2cc3ccccc3c(=O)o2)c([N+](=O)[O-])c1 ZINC000009970544 201791675 /nfs/dbraw/zinc/79/16/75/201791675.db2.gz KMJYCQLEAUVVPI-UHFFFAOYSA-N 0 0 340.291 2.962 50 5 EFBARN CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000002800812 209917626 /nfs/dbraw/zinc/91/76/26/209917626.db2.gz ZGSAQMVEUMDODL-LLVKDONJSA-N 0 0 340.763 2.664 50 5 EFBARN O=c1cc(-c2ccccc2)nc(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)[nH]1 ZINC000016979976 201983245 /nfs/dbraw/zinc/98/32/45/201983245.db2.gz VUQRJYPNRWCXDR-UHFFFAOYSA-N 0 0 348.322 2.965 50 5 EFBARN CCCC12CN3CC(C)(CN(C1)C3c1ccccc1[N+](=O)[O-])C2=O ZINC000019325407 202004446 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COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc([N+](=O)[O-])c1 ZINC000001063836 201497743 /nfs/dbraw/zinc/49/77/43/201497743.db2.gz WLSSRGYMMSQMGL-UHFFFAOYSA-N 0 0 344.323 2.847 50 5 EFBARN Cc1sc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(N)=O)c1C ZINC000000460547 201476170 /nfs/dbraw/zinc/47/61/70/201476170.db2.gz DBJGWPWESPUALU-UHFFFAOYSA-N 0 0 333.369 2.933 50 5 EFBARN Cc1cccc(OCC(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000508393 201481278 /nfs/dbraw/zinc/48/12/78/201481278.db2.gz IGKFHQHXVGMSER-UHFFFAOYSA-N 0 0 345.380 2.795 50 5 EFBARN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3ccno3)c2)n1 ZINC000001432484 201508224 /nfs/dbraw/zinc/50/82/24/201508224.db2.gz SFYLNXJSHYUFDR-UHFFFAOYSA-N 0 0 327.300 2.719 50 5 EFBARN COCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001891372 201521588 /nfs/dbraw/zinc/52/15/88/201521588.db2.gz GSVPIJFRBHOZIW-UHFFFAOYSA-N 0 0 344.323 2.650 50 5 EFBARN Cc1nn(C[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)c(C)c1[N+](=O)[O-] ZINC000002794710 201545877 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278180883 /nfs/dbraw/zinc/18/08/83/278180883.db2.gz SZZKKDWQHSAISY-UHFFFAOYSA-N 0 0 325.324 2.972 50 5 EFBARN CC1(C)C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000238032 278180895 /nfs/dbraw/zinc/18/08/95/278180895.db2.gz XJWBTAXRXBRJTQ-UHFFFAOYSA-N 0 0 325.324 2.972 50 5 EFBARN CC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)c2c(C)onc2C[C@@]1(C)O ZINC000005577849 278232607 /nfs/dbraw/zinc/23/26/07/278232607.db2.gz SWOGYRFXTLHBDV-BRWVUGGUSA-N 0 0 330.340 2.535 50 5 EFBARN C[C@@H]1CCCN(c2nc(N3C[C@H](C)C[C@@H](C)C3)nc(N)c2[N+](=O)[O-])C1 ZINC000238923912 278485726 /nfs/dbraw/zinc/48/57/26/278485726.db2.gz QGYVHIFPKBVXAE-JHJVBQTASA-N 0 0 348.451 2.686 50 5 EFBARN O=[N+]([O-])c1c(Br)cccc1I ZINC000095642979 280353207 /nfs/dbraw/zinc/35/32/07/280353207.db2.gz CMXDVNRQFNSTCY-UHFFFAOYSA-N 0 0 327.903 2.962 50 5 EFBARN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)c1ccc(Cl)cc1)OCO2 ZINC000000081280 280361295 /nfs/dbraw/zinc/36/12/95/280361295.db2.gz RTBQOINDDRRYCU-UHFFFAOYSA-N 0 0 341.728 2.810 50 5 EFBARN NC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000000038742 295168616 /nfs/dbraw/zinc/16/86/16/295168616.db2.gz YVFSXNWSBGMSSC-UHFFFAOYSA-N 0 0 345.380 2.886 50 5 EFBARN Cc1ccc2nsnc2c1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000000097717 471323049 /nfs/dbraw/zinc/32/30/49/471323049.db2.gz JPHMCLOEXMXTIC-UHFFFAOYSA-N 0 0 344.352 2.925 50 5 EFBARN Cc1ccc2nsnc2c1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000000097721 471323408 /nfs/dbraw/zinc/32/34/08/471323408.db2.gz OXBGCCSJCIAHRY-UHFFFAOYSA-N 0 0 344.352 2.925 50 5 EFBARN COc1cccc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)oc21 ZINC000000105712 471324364 /nfs/dbraw/zinc/32/43/64/471324364.db2.gz DMUZUAWYSRIRSZ-UHFFFAOYSA-N 0 0 340.291 2.962 50 5 EFBARN CCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OC(C)C)=C1C ZINC000000127024 471326409 /nfs/dbraw/zinc/32/64/09/471326409.db2.gz OZIILXMYIGXSGV-HNNXBMFYSA-N 0 0 347.371 2.907 50 5 EFBARN CCOC(=O)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000000183919 471332265 /nfs/dbraw/zinc/33/22/65/471332265.db2.gz GPDMNXMEUJFZDE-UHFFFAOYSA-N 0 0 328.324 2.953 50 5 EFBARN Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000000198711 471333225 /nfs/dbraw/zinc/33/32/25/471333225.db2.gz VOCCOZOHNBVHNV-UHFFFAOYSA-N 0 0 341.367 2.992 50 5 EFBARN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)N1CCCc2ccccc21 ZINC000000196113 471333709 /nfs/dbraw/zinc/33/37/09/471333709.db2.gz NZLABJNWEMVGKD-UHFFFAOYSA-N 0 0 334.763 2.733 50 5 EFBARN CC1=NC(=S)N[C@@H](c2cccc([N+](=O)[O-])c2)C1C(=O)OCC(C)C ZINC000000193878 471333809 /nfs/dbraw/zinc/33/38/09/471333809.db2.gz CSPYARXGGMTLRL-AWEZNQCLSA-N 0 0 349.412 2.587 50 5 EFBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)NC1CCCCC1 ZINC000000215065 471336657 /nfs/dbraw/zinc/33/66/57/471336657.db2.gz QOCVOLKIRKMNOT-UHFFFAOYSA-N 0 0 328.800 2.982 50 5 EFBARN Cc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000252746 471340268 /nfs/dbraw/zinc/34/02/68/471340268.db2.gz AEGOEOVWDPXIAL-UHFFFAOYSA-N 0 0 325.368 2.866 50 5 EFBARN COc1ccc(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000253659 471340533 /nfs/dbraw/zinc/34/05/33/471340533.db2.gz XUETXUJTJYCKIE-IZZDOVSWSA-N 0 0 326.352 2.976 50 5 biogenic EFBARN COc1ccc(-c2ccc(=O)n(Cc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000000264026 471341405 /nfs/dbraw/zinc/34/14/05/471341405.db2.gz HQDUIYJSOYOTHA-UHFFFAOYSA-N 0 0 337.335 2.875 50 5 EFBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1 ZINC000000270905 471342616 /nfs/dbraw/zinc/34/26/16/471342616.db2.gz JIABFMRDXFPWMC-BZNIZROVSA-N 0 0 328.324 2.553 50 5 EFBARN COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] ZINC000000291660 471343328 /nfs/dbraw/zinc/34/33/28/471343328.db2.gz MDNJPDFLIUYIKG-UHFFFAOYSA-N 0 0 329.312 2.814 50 5 EFBARN COc1ccccc1NC(=O)COc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC000000310712 471345721 /nfs/dbraw/zinc/34/57/21/471345721.db2.gz VLIUFMRYSRTLPT-ZHACJKMWSA-N 0 0 328.324 2.960 50 5 EFBARN COC(=O)c1cc(C(=O)Nc2ccc(OC)cc2)cc([N+](=O)[O-])c1 ZINC000000434367 471360048 /nfs/dbraw/zinc/36/00/48/471360048.db2.gz JUGSGOFGISMZFH-UHFFFAOYSA-N 0 0 330.296 2.642 50 5 EFBARN O=C(Nc1ccccc1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 ZINC000000448538 471361443 /nfs/dbraw/zinc/36/14/43/471361443.db2.gz YXMZGYPLPFNODI-LBPRGKRZSA-N 0 0 325.324 2.586 50 5 EFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccccn1 ZINC000000457303 471362371 /nfs/dbraw/zinc/36/23/71/471362371.db2.gz IPWRKORVCAROEN-BQYQJAHWSA-N 0 0 328.353 2.516 50 5 EFBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1cccnc1 ZINC000000456723 471362479 /nfs/dbraw/zinc/36/24/79/471362479.db2.gz HFAFKGWCHYNRGW-VOTSOKGWSA-N 0 0 328.353 2.516 50 5 EFBARN O=C(NCc1ccc2c(c1)OCO2)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000476756 471364139 /nfs/dbraw/zinc/36/41/39/471364139.db2.gz MRLWWENIGZVBOR-UHFFFAOYSA-N 0 0 334.715 2.907 50 5 EFBARN Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1F ZINC000000532978 471368513 /nfs/dbraw/zinc/36/85/13/471368513.db2.gz BVBRUIWFGKDYFJ-UHFFFAOYSA-N 0 0 345.359 2.999 50 5 EFBARN COC(=O)c1cc(C(=O)NCc2ccccc2Cl)cc([N+](=O)[O-])c1 ZINC000000621565 471375176 /nfs/dbraw/zinc/37/51/76/471375176.db2.gz OYNDMKMVKFKZSW-UHFFFAOYSA-N 0 0 348.742 2.965 50 5 EFBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2F)CC1 ZINC000000860033 471377273 /nfs/dbraw/zinc/37/72/73/471377273.db2.gz PDGUMBZXXFOAOI-UHFFFAOYSA-N 0 0 343.358 2.625 50 5 EFBARN O=[N+]([O-])C(=CNc1ccc(F)cc1F)S(=O)(=O)c1ccccc1 ZINC000001401743 471390222 /nfs/dbraw/zinc/39/02/22/471390222.db2.gz HORSMDVQNGSXEW-NTEUORMPSA-N 0 0 340.307 2.926 50 5 EFBARN Nc1nc(CSc2ccc([N+](=O)[O-])cc2)nc(N2CCCCC2)n1 ZINC000001425931 471391031 /nfs/dbraw/zinc/39/10/31/471391031.db2.gz LBARUOXHPOMSCZ-UHFFFAOYSA-N 0 0 346.416 2.645 50 5 EFBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000001735847 471397125 /nfs/dbraw/zinc/39/71/25/471397125.db2.gz NUNZUZWZVYNTGT-ZROIWOOFSA-N 0 0 339.263 2.848 50 5 EFBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)N(CCO)C1CCCCC1 ZINC000001755644 471398000 /nfs/dbraw/zinc/39/80/00/471398000.db2.gz CPKBQDCHKQBIIT-UHFFFAOYSA-N 0 0 325.340 2.893 50 5 EFBARN CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000002058311 471400967 /nfs/dbraw/zinc/40/09/67/471400967.db2.gz NWMYPGTWVAMIPB-HNNXBMFYSA-N 0 0 347.371 2.908 50 5 EFBARN CCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000002058348 471400981 /nfs/dbraw/zinc/40/09/81/471400981.db2.gz RBZNBCZYANULHZ-CQSZACIVSA-N 0 0 333.344 2.518 50 5 EFBARN CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002058312 471401081 /nfs/dbraw/zinc/40/10/81/471401081.db2.gz NWMYPGTWVAMIPB-OAHLLOKOSA-N 0 0 347.371 2.908 50 5 EFBARN Cc1c(-c2nc3ccccc3c(=O)o2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002170830 471402391 /nfs/dbraw/zinc/40/23/91/471402391.db2.gz IBINBWKVQAEZOH-UHFFFAOYSA-N 0 0 327.252 2.980 50 5 EFBARN Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1CCc1ccccc1 ZINC000002202250 471404480 /nfs/dbraw/zinc/40/44/80/471404480.db2.gz FCNUFEHRFSUMDT-UHFFFAOYSA-N 0 0 345.402 2.800 50 5 EFBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCS[C@@H]1c1ccco1 ZINC000002696762 471417560 /nfs/dbraw/zinc/41/75/60/471417560.db2.gz IAQNMSQQMKJGHJ-CQSZACIVSA-N 0 0 349.324 2.984 50 5 EFBARN COc1ccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000002734033 471418919 /nfs/dbraw/zinc/41/89/19/471418919.db2.gz SLHOMGHARGUKCH-UHFFFAOYSA-N 0 0 341.411 2.921 50 5 EFBARN C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000002780251 471420111 /nfs/dbraw/zinc/42/01/11/471420111.db2.gz ZDGCBSFFZNWMJI-VXGBXAGGSA-N 0 0 332.360 2.836 50 5 EFBARN Cc1sc2ncn3nc([C@@H](C)n4cc([N+](=O)[O-])cn4)nc3c2c1C ZINC000002808527 471424103 /nfs/dbraw/zinc/42/41/03/471424103.db2.gz BCELRVOYYYVYLL-MRVPVSSYSA-N 0 0 343.372 2.670 50 5 EFBARN Cc1nn([C@H](C)c2nc3c4ccccc4ncn3n2)c(C)c1[N+](=O)[O-] ZINC000002806312 471424311 /nfs/dbraw/zinc/42/43/11/471424311.db2.gz VKGGIIDFIQGXLD-LLVKDONJSA-N 0 0 337.343 2.608 50 5 EFBARN COc1ccc(C(=O)NCCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000002870070 471426226 /nfs/dbraw/zinc/42/62/26/471426226.db2.gz REQYTMLJQFIEOB-UHFFFAOYSA-N 0 0 330.340 2.550 50 5 biogenic EFBARN CCOC(=O)c1c(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc1N ZINC000002920944 471427639 /nfs/dbraw/zinc/42/76/39/471427639.db2.gz SIVTXLSKYVOFHS-UHFFFAOYSA-N 0 0 349.368 2.976 50 5 EFBARN O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCO2 ZINC000003185714 471435134 /nfs/dbraw/zinc/43/51/34/471435134.db2.gz NYBGDRGKGPDNGH-UHFFFAOYSA-N 0 0 328.280 2.535 50 5 EFBARN CC(=O)c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)cc1 ZINC000003880543 471457538 /nfs/dbraw/zinc/45/75/38/471457538.db2.gz FZSRMKHMRAJRJO-UHFFFAOYSA-N 0 0 329.356 2.713 50 5 EFBARN CC[C@@H](C)OC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000004913307 471478660 /nfs/dbraw/zinc/47/86/60/471478660.db2.gz NKQQPQURILVHAS-ZWNOBZJWSA-N 0 0 332.356 2.814 50 5 EFBARN Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccccc3cc-2c1=O ZINC000005025014 471482882 /nfs/dbraw/zinc/48/28/82/471482882.db2.gz BDELRTUMTNJJPG-UHFFFAOYSA-N 0 0 337.766 2.843 50 5 EFBARN O=C(CSc1n[nH]c(-c2ccco2)n1)c1cccc([N+](=O)[O-])c1 ZINC000006084449 471531153 /nfs/dbraw/zinc/53/11/53/471531153.db2.gz UZECJJMBCVKZRZ-UHFFFAOYSA-N 0 0 330.325 2.948 50 5 EFBARN C[C@H]1CCc2noc(NC(=O)COc3ccccc3[N+](=O)[O-])c2C1 ZINC000011914795 471761562 /nfs/dbraw/zinc/76/15/62/471761562.db2.gz FGBQOTCPWSRXNH-JTQLQIEISA-N 0 0 331.328 2.725 50 5 EFBARN O=C(Cc1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)c1ccc(F)cc1 ZINC000013212122 471821507 /nfs/dbraw/zinc/82/15/07/471821507.db2.gz XLLDQCRLRDOSRL-UHFFFAOYSA-N 0 0 327.271 2.808 50 5 EFBARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccccc1[N+](=O)[O-] ZINC000017029369 471953014 /nfs/dbraw/zinc/95/30/14/471953014.db2.gz ZWUBIHQHUMOAJC-VXGBXAGGSA-N 0 0 329.316 2.603 50 5 EFBARN NC(=O)c1cc2cc([N+](=O)[O-])ccc2o/c1=N\c1cccc(F)c1 ZINC000017130799 471957538 /nfs/dbraw/zinc/95/75/38/471957538.db2.gz FXCXJKDYWSJAOZ-MNDPQUGUSA-N 0 0 327.271 2.811 50 5 EFBARN O=c1c2ccccc2c(=O)c2c1ccc1c(=O)c3ccccc3c(=O)c12 ZINC000043214906 472211173 /nfs/dbraw/zinc/21/11/73/472211173.db2.gz VYXBEALTHSTXNA-UHFFFAOYSA-N 0 0 338.318 2.616 50 5 EFBARN CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000047524082 472726105 /nfs/dbraw/zinc/72/61/05/472726105.db2.gz WAHKFHNGKOJGIM-UHFFFAOYSA-N 0 0 349.387 2.724 50 5 EFBARN C[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)Cc2c[nH]nc21 ZINC000585136427 479296495 /nfs/dbraw/zinc/29/64/95/479296495.db2.gz FNVWIYPOXBJIOU-VIFPVBQESA-N 0 0 349.778 2.529 50 5 EFBARN O=[N+]([O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1Br ZINC000604221778 479488698 /nfs/dbraw/zinc/48/86/98/479488698.db2.gz FCLRWNKZIODEBJ-UHFFFAOYSA-N 0 0 334.069 2.651 50 5 EFBARN O=[N+]([O-])c1cccc(I)c1Br ZINC000197196122 545554135 /nfs/dbraw/zinc/55/41/35/545554135.db2.gz NKFATHXREYJOQX-UHFFFAOYSA-N 0 0 327.903 2.962 50 5 EFBARN Cc1ccc(C(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000004754552 716729405 /nfs/dbraw/zinc/72/94/05/716729405.db2.gz BCIQMVUVOUJOAB-UHFFFAOYSA-N 0 0 339.395 2.886 50 5 EFBARN O=c1/c(=C\C=C\c2ccc([N+](=O)[O-])o2)sc2nc3ccccc3n12 ZINC000004730681 210262102 /nfs/dbraw/zinc/26/21/02/210262102.db2.gz SOHBCGDEDNAMIQ-LIDPDAEMSA-N 0 0 339.332 2.623 50 5 EFBARN CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000049999400 214040974 /nfs/dbraw/zinc/04/09/74/214040974.db2.gz IFJRRZRDPLRESI-UHFFFAOYSA-N 0 0 349.387 2.724 50 5 EFBARN Cc1nc(NC[C@@H]2CCCO2)nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000056905975 214394642 /nfs/dbraw/zinc/39/46/42/214394642.db2.gz JQOMTGOTDCOULP-AWEZNQCLSA-N 0 0 343.387 2.896 50 5 EFBARN CCOC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1 ZINC000004579507 210226520 /nfs/dbraw/zinc/22/65/20/210226520.db2.gz YIXSVNDMKQUQIX-JLHYYAGUSA-N 0 0 330.296 2.522 50 5 EFBARN COc1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(OC)c1 ZINC000004576908 210225262 /nfs/dbraw/zinc/22/52/62/210225262.db2.gz FIRDJSBNTYOPMW-UHFFFAOYSA-N 0 0 332.312 2.873 50 5 EFBARN Cc1ccc(S(=O)(=O)NCCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004543475 210218726 /nfs/dbraw/zinc/21/87/26/210218726.db2.gz CIVGVODNLUBRQU-UHFFFAOYSA-N 0 0 349.412 2.684 50 5 EFBARN O=C(OC[C@H]1O[C@H]1COCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004521209 210214067 /nfs/dbraw/zinc/21/40/67/210214067.db2.gz XBAOYRZETQXAAE-DLBZAZTESA-N 0 0 343.335 2.736 50 5 EFBARN Cc1c([N+](=O)[O-])cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000100062657 219090211 /nfs/dbraw/zinc/09/02/11/219090211.db2.gz ZYLQUBBFCLSFAR-UHFFFAOYSA-N 0 0 331.240 2.951 50 5 EFBARN Cc1ccc2nc(SCc3cccc([N+](=O)[O-])c3)nc(=O)n2c1 ZINC000004503698 210206748 /nfs/dbraw/zinc/20/67/48/210206748.db2.gz GNDLFQNBBJTKDU-UHFFFAOYSA-N 0 0 328.353 2.598 50 5 EFBARN O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Oc1ccc(Cl)cc1 ZINC000004405431 210189225 /nfs/dbraw/zinc/18/92/25/210189225.db2.gz UCGJWDYMHLKFBN-UHFFFAOYSA-N 0 0 338.728 2.776 50 5 EFBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1=COCCO1 ZINC000004275421 210157787 /nfs/dbraw/zinc/15/77/87/210157787.db2.gz JWDBRXUOWBPIHG-UHFFFAOYSA-N 0 0 333.325 2.545 50 5 EFBARN Cc1cc(OC(=O)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248382 210150703 /nfs/dbraw/zinc/15/07/03/210150703.db2.gz ZZROMNDBNOBWTR-UHFFFAOYSA-N 0 0 342.229 2.830 50 5 EFBARN Cc1cc(OC(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248333 210150723 /nfs/dbraw/zinc/15/07/23/210150723.db2.gz MXTSIQBDEPEZOI-UHFFFAOYSA-N 0 0 332.356 2.713 50 5 EFBARN CCCCNc1ccc(S(=O)(=O)NCCCC)cc1[N+](=O)[O-] ZINC000004158838 210133377 /nfs/dbraw/zinc/13/33/77/210133377.db2.gz QFRRPLODAZLLKS-UHFFFAOYSA-N 0 0 329.422 2.885 50 5 EFBARN O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004088052 210116382 /nfs/dbraw/zinc/11/63/82/210116382.db2.gz WLTNBBLLKITBMP-UHFFFAOYSA-N 0 0 333.731 2.503 50 5 EFBARN CCOC(=O)c1csc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000004078851 210114929 /nfs/dbraw/zinc/11/49/29/210114929.db2.gz VOZNCJGXPQKOEJ-VMPITWQZSA-N 0 0 347.352 2.880 50 5 EFBARN CC(=O)COc1cc(OCC(C)=O)c2c(c1)oc1ccccc1c2=O ZINC000004083211 210114758 /nfs/dbraw/zinc/11/47/58/210114758.db2.gz JCHOUZGCHUGIDF-UHFFFAOYSA-N 0 0 340.331 2.882 50 5 biogenic EFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1Nc2ccccc2NC1=O ZINC000004058844 210110024 /nfs/dbraw/zinc/11/00/24/210110024.db2.gz CCYGDODMMIUJAJ-OAHLLOKOSA-N 0 0 340.339 2.665 50 5 EFBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004005826 210099044 /nfs/dbraw/zinc/09/90/44/210099044.db2.gz CTOICCNUBNYAQA-UHFFFAOYSA-N 0 0 336.413 2.842 50 5 EFBARN COc1ccccc1CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000003900593 210087949 /nfs/dbraw/zinc/08/79/49/210087949.db2.gz SGILPRMMUWFYID-UHFFFAOYSA-N 0 0 341.411 2.921 50 5 EFBARN Cc1[nH][nH]c(=O)c1C(c1c(C)[nH][nH]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000102582273 219212612 /nfs/dbraw/zinc/21/26/12/219212612.db2.gz URMHWACRBKBXAZ-VXGBXAGGSA-N 0 0 329.316 2.603 50 5 EFBARN O=C(Cn1cnc2cc(Cl)ccc2c1=O)c1ccccc1[N+](=O)[O-] ZINC000003124315 209966405 /nfs/dbraw/zinc/96/64/05/209966405.db2.gz FQRBXXLEQGRWAJ-UHFFFAOYSA-N 0 0 343.726 2.841 50 5 EFBARN C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000002780252 209911298 /nfs/dbraw/zinc/91/12/98/209911298.db2.gz ZDGCBSFFZNWMJI-RYUDHWBXSA-N 0 0 332.360 2.836 50 5 EFBARN Cc1nn(CCCC(=O)N2CCc3ccccc3C2)c(C)c1[N+](=O)[O-] ZINC000001429863 209748416 /nfs/dbraw/zinc/74/84/16/209748416.db2.gz JHKSOPOSYQNASY-UHFFFAOYSA-N 0 0 342.399 2.773 50 5 EFBARN Cc1c([N+](=O)[O-])c(C(=O)Nc2ccccc2Br)nn1C ZINC000001000081 209698496 /nfs/dbraw/zinc/69/84/96/209698496.db2.gz RMBQBRICYCKDRE-UHFFFAOYSA-N 0 0 339.149 2.652 50 5 EFBARN Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 ZINC000000531676 209651306 /nfs/dbraw/zinc/65/13/06/209651306.db2.gz UDUQMDIOQUYIGQ-UHFFFAOYSA-N 0 0 327.369 2.859 50 5 EFBARN Cc1nc(NCCc2ccccc2)nc(N2CCCC2)c1[N+](=O)[O-] ZINC000036708803 213112206 /nfs/dbraw/zinc/11/22/06/213112206.db2.gz NPZPTPRJKWNWMD-UHFFFAOYSA-N 0 0 327.388 2.948 50 5 EFBARN O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1 ZINC000036612239 213101990 /nfs/dbraw/zinc/10/19/90/213101990.db2.gz KFEVJYWHPWLCFN-UHFFFAOYSA-N 0 0 345.380 2.597 50 5 EFBARN CN[C@@H](C(=O)c1ccccc1)[C@H](OC(C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000036006110 213055221 /nfs/dbraw/zinc/05/52/21/213055221.db2.gz LAFCBZDGUBVKBO-FUHWJXTLSA-N 0 0 342.351 2.670 50 5 EFBARN C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000318661 209535077 /nfs/dbraw/zinc/53/50/77/209535077.db2.gz NVARDQYWSBCUEA-CYBMUJFWSA-N 0 0 334.397 2.894 50 5 EFBARN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(OC)c1 ZINC000000265811 209511159 /nfs/dbraw/zinc/51/11/59/209511159.db2.gz ADFHQILEEGJYHM-UHFFFAOYSA-N 0 0 332.312 2.873 50 5 EFBARN COC(=O)c1cc(C(=O)Nc2cccc(OC)c2)cc([N+](=O)[O-])c1 ZINC000000183855 209470299 /nfs/dbraw/zinc/47/02/99/209470299.db2.gz SHYFMGGYGMWLCV-UHFFFAOYSA-N 0 0 330.296 2.642 50 5 EFBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1COc2ccccc2O1 ZINC000000173784 209462772 /nfs/dbraw/zinc/46/27/72/209462772.db2.gz QAUMHRBQSUPHCA-MEDUHNTESA-N 0 0 328.324 2.553 50 5 EFBARN NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl ZINC000000169195 209461649 /nfs/dbraw/zinc/46/16/49/209461649.db2.gz MMRYSQRORXUFDJ-NTEUORMPSA-N 0 0 345.742 2.504 50 5 EFBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc2nsnc21 ZINC000000104112 209422706 /nfs/dbraw/zinc/42/27/06/209422706.db2.gz FXLOVZZYRYOXGZ-UHFFFAOYSA-N 0 0 330.325 2.617 50 5 EFBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000000092575 209414668 /nfs/dbraw/zinc/41/46/68/209414668.db2.gz ZIBIRUTZKIEBIT-SECBINFHSA-N 0 0 338.307 2.558 50 5 EFBARN CCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000000067424 209398651 /nfs/dbraw/zinc/39/86/51/209398651.db2.gz XSQNHMFJCYAFHC-AWEZNQCLSA-N 0 0 333.344 2.518 50 5 EFBARN COC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000000060827 209394942 /nfs/dbraw/zinc/39/49/42/209394942.db2.gz IKRSXQRMIUTUID-NSHDSACASA-N 0 0 328.324 2.872 50 5 EFBARN Cc1ccc(N2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000000044366 209387334 /nfs/dbraw/zinc/38/73/34/209387334.db2.gz ZEGOSBQYHPKINE-CYBMUJFWSA-N 0 0 339.351 2.895 50 5 EFBARN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000020310876 212118052 /nfs/dbraw/zinc/11/80/52/212118052.db2.gz LIHICEXSMVDLNI-QGZVFWFLSA-N 0 0 341.367 2.607 50 5 EFBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N1CCOCC1 ZINC000020310880 212117780 /nfs/dbraw/zinc/11/77/80/212117780.db2.gz GTWCDFASHVQCOG-KRWDZBQOSA-N 0 0 341.367 2.607 50 5 EFBARN O=C(c1cccs1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000019841695 212074663 /nfs/dbraw/zinc/07/46/63/212074663.db2.gz XFAZTBNRJSOIAC-UHFFFAOYSA-N 0 0 331.397 2.614 50 5 EFBARN O=[N+]([O-])c1ccc(NCCCN2CCOCC2)c(C(F)(F)F)c1 ZINC000019798797 212070270 /nfs/dbraw/zinc/07/02/70/212070270.db2.gz RPMPWWZKOMVOIX-UHFFFAOYSA-N 0 0 333.310 2.748 50 5 EFBARN O=C(c1ccc(F)cc1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000019774108 212064741 /nfs/dbraw/zinc/06/47/41/212064741.db2.gz NWVNYUARRFTBSN-UHFFFAOYSA-N 0 0 343.358 2.692 50 5 EFBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000019782455 212066370 /nfs/dbraw/zinc/06/63/70/212066370.db2.gz MXARPWQKOZXTFJ-UHFFFAOYSA-N 0 0 343.358 2.692 50 5 EFBARN O=C(c1ccccc1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000019368872 212023089 /nfs/dbraw/zinc/02/30/89/212023089.db2.gz JDZXEXUXRVRGCF-UHFFFAOYSA-N 0 0 325.368 2.553 50 5 EFBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1 ZINC000019314242 212014368 /nfs/dbraw/zinc/01/43/68/212014368.db2.gz ASFGNNUHCFDVOM-UHFFFAOYSA-N 0 0 325.368 2.553 50 5 EFBARN CCCC12CN3CC(CCC)(CN(C1)C3c1ccc([N+](=O)[O-])o1)C2=O ZINC000019323193 212015841 /nfs/dbraw/zinc/01/58/41/212015841.db2.gz NASKTTUPRXSSRC-UHFFFAOYSA-N 0 0 347.415 2.973 50 5 biogenic EFBARN COCCNc1ccc(-c2n[nH]c(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000018227504 211991296 /nfs/dbraw/zinc/99/12/96/211991296.db2.gz POIOVSVYUYBYOO-UHFFFAOYSA-N 0 0 340.339 2.557 50 5 EFBARN Cn1ccnc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012428201 211377642 /nfs/dbraw/zinc/37/76/42/211377642.db2.gz MLIWMQWHRJEHEF-UHFFFAOYSA-N 0 0 326.765 2.713 50 5 EFBARN O=C(CCCS(=O)(=O)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000010218339 211154151 /nfs/dbraw/zinc/15/41/51/211154151.db2.gz DCYLPOFJYLGPJU-UHFFFAOYSA-N 0 0 348.380 2.787 50 5 EFBARN CCOc1ccccc1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000010325535 211164777 /nfs/dbraw/zinc/16/47/77/211164777.db2.gz MXXJAJMRZDQTHQ-UHFFFAOYSA-N 0 0 329.312 2.571 50 5 EFBARN Cc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000010327376 211164665 /nfs/dbraw/zinc/16/46/65/211164665.db2.gz TWSLZHWHTJEQJM-UHFFFAOYSA-N 0 0 347.758 2.812 50 5 EFBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCc1ccccc1Cl ZINC000010327836 211164254 /nfs/dbraw/zinc/16/42/54/211164254.db2.gz BTSRRRRRXIYIHI-UHFFFAOYSA-N 0 0 347.758 2.812 50 5 EFBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000010327856 211163825 /nfs/dbraw/zinc/16/38/25/211163825.db2.gz NHFFVJWWIFBZDM-UHFFFAOYSA-N 0 0 347.758 2.812 50 5 EFBARN O=C(NC[C@@H]1COC2(CCCC2)O1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000010220479 211153948 /nfs/dbraw/zinc/15/39/48/211153948.db2.gz NSRXSNXGRQGNOE-LLVKDONJSA-N 0 0 340.763 2.664 50 5 EFBARN O=C(NC[C@@H]1COC2(CCCC2)O1)c1cc([N+](=O)[O-])ccc1Cl ZINC000010220481 211153987 /nfs/dbraw/zinc/15/39/87/211153987.db2.gz RHRHCLCADSWSPQ-LLVKDONJSA-N 0 0 340.763 2.664 50 5 EFBARN COc1ccc(Sc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)cc1 ZINC000009879806 211129912 /nfs/dbraw/zinc/12/99/12/211129912.db2.gz YWARBHQWYJLRCX-UHFFFAOYSA-N 0 0 345.380 2.945 50 5 EFBARN COc1c(C)cccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000009192156 211050436 /nfs/dbraw/zinc/05/04/36/211050436.db2.gz YLOPGVDAZQETCY-UHFFFAOYSA-N 0 0 329.356 2.754 50 5 EFBARN Cc1ccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000009094810 211038392 /nfs/dbraw/zinc/03/83/92/211038392.db2.gz AXPWGXPPKHSSHC-UHFFFAOYSA-N 0 0 347.758 2.925 50 5 EFBARN COc1ccccc1-c1ccc(=O)n(Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000005397168 210457090 /nfs/dbraw/zinc/45/70/90/210457090.db2.gz WXBRYBREKLBGSY-UHFFFAOYSA-N 0 0 337.335 2.875 50 5 EFBARN CNC(=O)c1c(C)c(C)sc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000005144964 210399638 /nfs/dbraw/zinc/39/96/38/210399638.db2.gz VUEVPXHBUMHAMH-UHFFFAOYSA-N 0 0 333.369 2.885 50 5 EFBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)CCC2=O)c1 ZINC000005090961 210388352 /nfs/dbraw/zinc/38/83/52/210388352.db2.gz BZBLLAWEFXGVPJ-UHFFFAOYSA-N 0 0 339.307 2.501 50 5 EFBARN Cc1cc(OCCN2C(=O)CCN2c2ccccc2)ccc1[N+](=O)[O-] ZINC000005065686 210381348 /nfs/dbraw/zinc/38/13/48/210381348.db2.gz SKAKIJMORWQYLA-UHFFFAOYSA-N 0 0 341.367 2.936 50 5 EFBARN Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NC[C@H]3CCCO3)n2)cc1 ZINC000005030199 210367408 /nfs/dbraw/zinc/36/74/08/210367408.db2.gz OEYLGLQLJYJGPL-GFCCVEGCSA-N 0 0 344.375 2.610 50 5 EFBARN COc1ccc(NC(=O)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000005014280 210362782 /nfs/dbraw/zinc/36/27/82/210362782.db2.gz OYIQWMNIRYOSCS-UHFFFAOYSA-N 0 0 330.296 2.627 50 5 EFBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1OC ZINC000000039141 208555710 /nfs/dbraw/zinc/55/57/10/208555710.db2.gz HSMZGNSORMDVQD-UHFFFAOYSA-N 0 0 332.312 2.630 50 5 EFBARN COc1ccc(CNCc2cc3c(cc2[N+](=O)[O-])OCO3)c(OC)c1 ZINC000004891840 210312830 /nfs/dbraw/zinc/31/28/30/210312830.db2.gz KQGRLSGTOCLTCT-UHFFFAOYSA-N 0 0 346.339 2.631 50 5 EFBARN C/C=C(/C(=O)Nc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000004843817 210297634 /nfs/dbraw/zinc/29/76/34/210297634.db2.gz RDGFAYIGWFHJNQ-LXOGZNDWSA-N 0 0 346.364 2.911 50 5 EFBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)OC12CCCCC2 ZINC000004845009 210297795 /nfs/dbraw/zinc/29/77/95/210297795.db2.gz LCZASDAFYIJYLA-LBPRGKRZSA-N 0 0 348.355 2.808 50 5 EFBARN COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000004870240 210308367 /nfs/dbraw/zinc/30/83/67/210308367.db2.gz WPTFUYMUOFIFIU-UHFFFAOYSA-N 0 0 332.312 2.873 50 5 EFBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC(=O)Nc2ccccc21 ZINC000004838748 210294222 /nfs/dbraw/zinc/29/42/22/210294222.db2.gz QICDZOPAJFGEMJ-UHFFFAOYSA-N 0 0 331.715 2.847 50 5 EFBARN O=[N+]([O-])c1ccc([C@H]2O[C@@H](c3ccc([N+](=O)[O-])cc3)OC[C@H]2O)cc1 ZINC000003901134 285139370 /nfs/dbraw/zinc/13/93/70/285139370.db2.gz QVVFGNQCCALSJP-OAGGEKHMSA-N 0 0 346.295 2.651 50 5 EFBARN O=[N+]([O-])c1ccc([C@H]2CC(c3ccc(F)cc3)=Nc3nnnn32)cc1 ZINC000101152893 285139396 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332.356 2.814 50 5 EFBARN O=C(Nc1nnc(-c2cccnc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000017251417 471959108 /nfs/dbraw/zinc/95/91/08/471959108.db2.gz BXVCFQVHMUTKRE-UHFFFAOYSA-N 0 0 327.325 2.761 50 5 EFBARN CCOC(=O)c1cn(C2CC2)c2c(C)c(F)c([N+](=O)[O-])cc2c1=O ZINC000039158564 472023638 /nfs/dbraw/zinc/02/36/38/472023638.db2.gz UQWVYXHQUYNLHJ-UHFFFAOYSA-N 0 0 334.303 2.869 50 5 EFBARN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O ZINC000100634210 472528326 /nfs/dbraw/zinc/52/83/26/472528326.db2.gz QMBQBFXCJNMJBG-WDEREUQCSA-N 0 0 336.731 2.626 50 5 EFBARN CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000047554982 472729940 /nfs/dbraw/zinc/72/99/40/472729940.db2.gz OKHUOKJXKZFMFU-UHFFFAOYSA-N 0 0 349.387 2.724 50 5 EFBARN CC(=O)Nc1nc(-c2cccnc2)nc2c3ccccc3oc(=O)c12 ZINC000226758000 474243536 /nfs/dbraw/zinc/24/35/36/474243536.db2.gz NJYAWSPYYBFHMD-UHFFFAOYSA-N 0 0 332.319 2.757 50 5 EFBARN COC(=O)c1cc(C(=O)N2CCCc3ccccc32)cc([N+](=O)[O-])c1 ZINC000000060847 521802622 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