smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC1(CC)[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@@H](C)[C@@H]1OC ZINC001457734145 1109748792 /nfs/dbraw/zinc/74/87/92/1109748792.db2.gz HSHDQRPDHFKJTE-WQAKAFBOSA-N -1 1 337.376 2.265 10 5 EEBEMM Cc1cc(C=O)c([O-])c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC001464911309 1110407249 /nfs/dbraw/zinc/40/72/49/1110407249.db2.gz XQBMCHBLUUMAAR-UHFFFAOYSA-N -1 1 344.323 2.230 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1Cl ZINC001519736511 1119102037 /nfs/dbraw/zinc/10/20/37/1119102037.db2.gz XFNJLFUQIJRXAP-UHFFFAOYSA-N -1 1 345.746 2.464 10 5 EEBEMM CN1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000183556757 283131165 /nfs/dbraw/zinc/13/11/65/283131165.db2.gz HEUXHNHFICYSPL-YOEHRIQHSA-N -1 1 341.367 2.476 10 5 EEBEMM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000175130999 255851254 /nfs/dbraw/zinc/85/12/54/255851254.db2.gz YFWGQGZFLJKIIK-GXFFZTMASA-N -1 1 348.446 2.386 10 5 EEBEMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nccs1 ZINC000186674594 160079412 /nfs/dbraw/zinc/07/94/12/160079412.db2.gz OXVBYAVKDXFYKE-SSDOTTSWSA-N -1 1 333.416 2.195 10 5 EEBEMM CCCc1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000182726295 323385649 /nfs/dbraw/zinc/38/56/49/323385649.db2.gz IJKYWTDYELCMEZ-UHFFFAOYSA-N -1 1 338.389 2.255 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)s1 ZINC000064243298 462691080 /nfs/dbraw/zinc/69/10/80/462691080.db2.gz HAVQCJYNKPWTLX-GFCCVEGCSA-N -1 1 338.410 2.492 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCO3)s1 ZINC000522304814 468369688 /nfs/dbraw/zinc/36/96/88/468369688.db2.gz LVIGOGADKWIWNX-UHFFFAOYSA-N -1 1 340.382 2.070 10 5 EEBEMM CN1CC[C@@H]([N-]c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000301389159 465955132 /nfs/dbraw/zinc/95/51/32/465955132.db2.gz XXSDHQVHEOKHQV-SSDOTTSWSA-N -1 1 348.237 2.164 10 5 EEBEMM O=C(Nc1c([O-])cccc1F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000610339890 470005838 /nfs/dbraw/zinc/00/58/38/470005838.db2.gz YZLKNGDZCJWIOM-UHFFFAOYSA-N -1 1 343.274 2.273 10 5 EEBEMM CC1(C)C[C@@H](SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000863355912 1296242614 /nfs/dbraw/zinc/24/26/14/1296242614.db2.gz QKWYIPHMGPEFHR-GFCCVEGCSA-N -1 1 338.385 2.152 10 5 EEBEMM Cc1cc([C@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[nH]n1 ZINC001558568703 1342482896 /nfs/dbraw/zinc/48/28/96/1342482896.db2.gz CVLNMHTYSYUNDW-GFCCVEGCSA-N -1 1 331.332 2.094 10 5 EEBEMM CSc1ncc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC001623960325 1352410018 /nfs/dbraw/zinc/41/00/18/1352410018.db2.gz FCAWFFLWWFSZME-UHFFFAOYSA-N -1 1 332.341 2.015 10 5 EEBEMM CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H]1c1ccccc1 ZINC000182164079 283131358 /nfs/dbraw/zinc/13/13/58/283131358.db2.gz ZHTCPKZLBLFADU-RDJZCZTQSA-N -1 1 341.367 2.476 10 5 EEBEMM CN1CC[C@H]([N-]c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000301389160 283142923 /nfs/dbraw/zinc/14/29/23/283142923.db2.gz XXSDHQVHEOKHQV-ZETCQYMHSA-N -1 1 348.237 2.164 10 5 EEBEMM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000377392712 154177622 /nfs/dbraw/zinc/17/76/22/154177622.db2.gz YGHBNAALOSFYNS-OQPBUACISA-N -1 1 340.382 2.457 10 5 EEBEMM C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445209350 315351978 /nfs/dbraw/zinc/35/19/78/315351978.db2.gz GKEUUKOACCMVFZ-IONNQARKSA-N -1 1 333.266 2.498 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@](F)(c2ccccc2)C1 ZINC000374780233 466741834 /nfs/dbraw/zinc/74/18/34/466741834.db2.gz NWFHFURSDOMBPB-MRXNPFEDSA-N -1 1 331.303 2.406 10 5 EEBEMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC(F)F ZINC000592068037 468611379 /nfs/dbraw/zinc/61/13/79/468611379.db2.gz ZKIBJBGJTMWJIL-ZETCQYMHSA-N -1 1 326.296 2.304 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]CC2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000594817836 468695720 /nfs/dbraw/zinc/69/57/20/468695720.db2.gz CHZNYQJGPLADTB-GHMZBOCLSA-N -1 1 344.437 2.162 10 5 EEBEMM CC(C)[C@@H](O)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000598351035 468839763 /nfs/dbraw/zinc/83/97/63/468839763.db2.gz LLLZDQMPEVQYFV-HUUCEWRRSA-N -1 1 345.355 2.183 10 5 EEBEMM COC(=O)[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000599654486 469326628 /nfs/dbraw/zinc/32/66/28/469326628.db2.gz MPKBOQILSDFRHY-FMKPAKJESA-N -1 1 334.372 2.464 10 5 EEBEMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1[N+](=O)[O-] ZINC000610032624 469976186 /nfs/dbraw/zinc/97/61/86/469976186.db2.gz OXGWOLABNGPXAT-UHFFFAOYSA-N -1 1 332.341 2.352 10 5 EEBEMM CCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC)c1nn[n-]n1 ZINC001294422516 1329014055 /nfs/dbraw/zinc/01/40/55/1329014055.db2.gz RKEVAXJELJLVJM-JTQLQIEISA-N -1 1 336.377 2.101 10 5 EEBEMM CSc1nc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC001299999503 1330170004 /nfs/dbraw/zinc/17/00/04/1330170004.db2.gz YCFZHTGJPKHGIX-UHFFFAOYSA-N -1 1 348.384 2.061 10 5 EEBEMM COc1cc([N+](=O)[O-])cnc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001597919805 1349933457 /nfs/dbraw/zinc/93/34/57/1349933457.db2.gz OBHVLCDIWPZIBL-UHFFFAOYSA-N -1 1 340.295 2.092 10 5 EEBEMM O=C(Cc1cccc([N+](=O)[O-])c1)NCCc1c(F)cc([O-])cc1F ZINC001645287265 1352775594 /nfs/dbraw/zinc/77/55/94/1352775594.db2.gz MZGQKAJIHNQVOB-UHFFFAOYSA-N -1 1 336.294 2.480 10 5 EEBEMM COC(=O)c1ccc(Oc2cc(Cl)nc(=O)[n-]2)cc1[N+](=O)[O-] ZINC001650947519 1354034745 /nfs/dbraw/zinc/03/47/45/1354034745.db2.gz JRAOKWPELJKWEF-UHFFFAOYSA-N -1 1 325.664 2.323 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC3(CCC3)O2)s1 ZINC000921673037 793073435 /nfs/dbraw/zinc/07/34/35/793073435.db2.gz FEBPYXSXXAPKHE-SNVBAGLBSA-N -1 1 346.430 2.426 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CCCCO2)cc1F ZINC000921674944 793388659 /nfs/dbraw/zinc/38/86/59/793388659.db2.gz RLQGTSDNYXAJRP-CQSZACIVSA-N -1 1 346.380 2.280 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CCCCO2)cc1F ZINC000921674943 793389320 /nfs/dbraw/zinc/38/93/20/793389320.db2.gz RLQGTSDNYXAJRP-AWEZNQCLSA-N -1 1 346.380 2.280 10 5 EEBEMM COc1cc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)ccc1[N+](=O)[O-] ZINC001436664781 1088098489 /nfs/dbraw/zinc/09/84/89/1088098489.db2.gz AEOYUTDJHGYKDI-UHFFFAOYSA-N -1 1 344.327 2.230 10 5 EEBEMM COC(=O)c1nc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)cs1 ZINC001518075390 1119050780 /nfs/dbraw/zinc/05/07/80/1119050780.db2.gz VYNCXVDADWKYNH-UHFFFAOYSA-N -1 1 325.277 2.229 10 5 EEBEMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc3cnccn3n2)c1 ZINC001535293723 1123550690 /nfs/dbraw/zinc/55/06/90/1123550690.db2.gz SQQVBGSKAKPWMT-UHFFFAOYSA-N -1 1 330.329 2.007 10 5 EEBEMM COc1cc(C(=O)[N-]c2nc3ccc(F)cn3n2)c([N+](=O)[O-])cc1F ZINC001539044257 1124044237 /nfs/dbraw/zinc/04/42/37/1124044237.db2.gz XUYVAHQACBMIPM-UHFFFAOYSA-N -1 1 349.253 2.177 10 5 EEBEMM COCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000452052504 243334519 /nfs/dbraw/zinc/33/45/19/243334519.db2.gz MFXCQCHDVKEUAZ-UHFFFAOYSA-N -1 1 334.419 2.141 10 5 EEBEMM CN1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000456611285 277054103 /nfs/dbraw/zinc/05/41/03/277054103.db2.gz QQFSVTGULDDDBS-CYBMUJFWSA-N -1 1 342.355 2.397 10 5 EEBEMM CN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]1c1ccccc1 ZINC000245895297 464523766 /nfs/dbraw/zinc/52/37/66/464523766.db2.gz PDRBHKUWWCVFBX-GOEBONIOSA-N -1 1 341.367 2.476 10 5 EEBEMM CN(C)Cc1cc(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1F ZINC000353053927 465605521 /nfs/dbraw/zinc/60/55/21/465605521.db2.gz ORQYRUVXINZFMW-UHFFFAOYSA-N -1 1 347.346 2.431 10 5 EEBEMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594415315 468578740 /nfs/dbraw/zinc/57/87/40/468578740.db2.gz NFIWZPFYHAGUFM-NSHDSACASA-N -1 1 335.360 2.259 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1c1ccccc1 ZINC000592070350 468612225 /nfs/dbraw/zinc/61/22/25/468612225.db2.gz KLCXYJRESFOUKG-CHWSQXEVSA-N -1 1 333.369 2.072 10 5 EEBEMM Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594750714 468673032 /nfs/dbraw/zinc/67/30/32/468673032.db2.gz NSBRQYPNSBIROR-ZDUSSCGKSA-N -1 1 333.369 2.264 10 5 EEBEMM CC(C)[C@@H](O)[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000598774729 468999513 /nfs/dbraw/zinc/99/95/13/468999513.db2.gz LIEXQGJYGIBLDA-LSDHHAIUSA-N -1 1 345.355 2.183 10 5 EEBEMM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC)C(F)(F)F ZINC000619499074 469627050 /nfs/dbraw/zinc/62/70/50/469627050.db2.gz NTVFMGVPOFFVOC-VIFPVBQESA-N -1 1 342.295 2.223 10 5 EEBEMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccncc1 ZINC000749300814 577974324 /nfs/dbraw/zinc/97/43/24/577974324.db2.gz ZCHBOXFNQBWPSB-SNVBAGLBSA-N -1 1 339.348 2.211 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1F ZINC000867563310 1201634264 /nfs/dbraw/zinc/63/42/64/1201634264.db2.gz XVMZXYUMAIPHKT-RBQUTUCGSA-N -1 1 346.380 2.133 10 5 EEBEMM COC(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])c(OC)c2)[n-]1 ZINC000796345881 1213853916 /nfs/dbraw/zinc/85/39/16/1213853916.db2.gz OHHKWRQUTQYWAA-UHFFFAOYSA-N -1 1 334.284 2.075 10 5 EEBEMM CCCCO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1(C)C ZINC001641348541 1352720836 /nfs/dbraw/zinc/72/08/36/1352720836.db2.gz DRVMPZCQJPNCHN-STQMWFEESA-N -1 1 337.376 2.409 10 5 EEBEMM O=C([N-]c1nnc(-c2ccco2)s1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136359159 785995662 /nfs/dbraw/zinc/99/56/62/785995662.db2.gz WBVITWOIBPKWMA-UHFFFAOYSA-N -1 1 340.708 2.335 10 5 EEBEMM Cc1ccc([C@@H](C)NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1[N+](=O)[O-] ZINC001137045097 788656179 /nfs/dbraw/zinc/65/61/79/788656179.db2.gz VRYXDIMKULYRAZ-MRVPVSSYSA-N -1 1 348.384 2.487 10 5 EEBEMM C[C@@]1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CN2CCC1CC2 ZINC001146873966 791573442 /nfs/dbraw/zinc/57/34/42/791573442.db2.gz NPLANZLJMPXPDT-OAHLLOKOSA-N -1 1 339.779 2.168 10 5 EEBEMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cc(C(=O)OC)no1 ZINC001526699934 1120574221 /nfs/dbraw/zinc/57/42/21/1120574221.db2.gz YSXHEPDXPXRNKI-UHFFFAOYSA-N -1 1 335.272 2.020 10 5 EEBEMM CCOc1cccc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000193738272 240290759 /nfs/dbraw/zinc/29/07/59/240290759.db2.gz UCLBXJSOLTTZMZ-UHFFFAOYSA-N -1 1 331.328 2.067 10 5 EEBEMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000101570957 204011719 /nfs/dbraw/zinc/01/17/19/204011719.db2.gz LFPWZVIPVYGJDO-GZMMTYOYSA-N -1 1 334.781 2.094 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc3C2)s1 ZINC000066327395 462875104 /nfs/dbraw/zinc/87/51/04/462875104.db2.gz HAVQCJYNKPWTLX-LBPRGKRZSA-N -1 1 338.410 2.492 10 5 EEBEMM C[C@@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753103 468674117 /nfs/dbraw/zinc/67/41/17/468674117.db2.gz FXZSOTSGNRESNQ-YGRLFVJLSA-N -1 1 333.369 2.202 10 5 EEBEMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000588144624 469120842 /nfs/dbraw/zinc/12/08/42/469120842.db2.gz PQOPPMINYNLNAM-LLVKDONJSA-N -1 1 336.316 2.070 10 5 EEBEMM CC(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262652 469996594 /nfs/dbraw/zinc/99/65/94/469996594.db2.gz GAYYKOFOFOZLBU-NEPJUHHUSA-N -1 1 327.406 2.483 10 5 EEBEMM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1c([O-])cccc1F ZINC000743417356 577885120 /nfs/dbraw/zinc/88/51/20/577885120.db2.gz WUTMBIFLEPHFFK-UHFFFAOYSA-N -1 1 330.275 2.428 10 5 EEBEMM CC(C)(C)OC(=O)NC1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CC1 ZINC000904998655 694497999 /nfs/dbraw/zinc/49/79/99/694497999.db2.gz UJMVBXWPOAIKPB-UHFFFAOYSA-N -1 1 335.320 2.487 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C)O2)cc1F ZINC000867516519 1201626224 /nfs/dbraw/zinc/62/62/24/1201626224.db2.gz GPJUILQMVZRQCF-GHMZBOCLSA-N -1 1 346.380 2.278 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1CCCS1 ZINC000867664142 1201653920 /nfs/dbraw/zinc/65/39/20/1201653920.db2.gz SGQUDYUYIXWMDY-VIFPVBQESA-N -1 1 334.394 2.298 10 5 EEBEMM CC(=O)c1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC001191934947 1281714576 /nfs/dbraw/zinc/71/45/76/1281714576.db2.gz BSUFLCKEHCYHHQ-UHFFFAOYSA-N -1 1 340.382 2.337 10 5 EEBEMM CCOC(=O)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OCC)c2)n[n-]1 ZINC001472828261 1338597692 /nfs/dbraw/zinc/59/76/92/1338597692.db2.gz PVLVWNPFUWLXFP-SECBINFHSA-N -1 1 349.347 2.461 10 5 EEBEMM CCOC(=O)c1nnc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OCC)c2)[n-]1 ZINC001472828261 1338597695 /nfs/dbraw/zinc/59/76/95/1338597695.db2.gz PVLVWNPFUWLXFP-SECBINFHSA-N -1 1 349.347 2.461 10 5 EEBEMM CCOC(=O)c1n[n-]c([C@@H](C)Nc2ccc([N+](=O)[O-])c(OCC)c2)n1 ZINC001472828261 1338597698 /nfs/dbraw/zinc/59/76/98/1338597698.db2.gz PVLVWNPFUWLXFP-SECBINFHSA-N -1 1 349.347 2.461 10 5 EEBEMM CN1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(C)(C)C1 ZINC001558504738 1342479251 /nfs/dbraw/zinc/47/92/51/1342479251.db2.gz UZANQBDDRJXKMR-LLVKDONJSA-N -1 1 327.768 2.024 10 5 EEBEMM O=C(NCCSCCC(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001559025048 1342495289 /nfs/dbraw/zinc/49/52/89/1342495289.db2.gz GIHHRMAXXJCMAO-UHFFFAOYSA-N -1 1 339.295 2.111 10 5 EEBEMM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cccc([O-])c1Br ZINC001569379256 1342861974 /nfs/dbraw/zinc/86/19/74/1342861974.db2.gz UXCFXGBCQIOHMA-UHFFFAOYSA-N -1 1 341.121 2.049 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC001521255276 1119231563 /nfs/dbraw/zinc/23/15/63/1119231563.db2.gz IHUBISAOYYMJRC-UHFFFAOYSA-N -1 1 336.279 2.194 10 5 EEBEMM O=C([O-])[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000262944945 152343399 /nfs/dbraw/zinc/34/33/99/152343399.db2.gz JCEMOXNCWWHUAI-NXEZZACHSA-N -1 1 348.277 2.169 10 5 EEBEMM O=c1cc(/C=C\c2cc([N+](=O)[O-])ccc2OC(F)F)nc2nc[n-]n21 ZINC000352040809 162041804 /nfs/dbraw/zinc/04/18/04/162041804.db2.gz RTDNITCBHCRKFQ-UPHRSURJSA-N -1 1 349.253 2.098 10 5 EEBEMM COc1cccc(C[C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445004627 315336927 /nfs/dbraw/zinc/33/69/27/315336927.db2.gz OXASUTWKZGFBQG-SNVBAGLBSA-N -1 1 331.328 2.065 10 5 EEBEMM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000067951241 463071908 /nfs/dbraw/zinc/07/19/08/463071908.db2.gz HBLPCVKSGHXORR-SSDOTTSWSA-N -1 1 333.416 2.461 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1 ZINC000362867952 466085189 /nfs/dbraw/zinc/08/51/89/466085189.db2.gz NBQFWRUESILESE-UHFFFAOYSA-N -1 1 336.304 2.411 10 5 EEBEMM CC(C)([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(F)F ZINC000594772434 468681465 /nfs/dbraw/zinc/68/14/65/468681465.db2.gz KVGUEZVZNBSDNP-UHFFFAOYSA-N -1 1 345.327 2.465 10 5 EEBEMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccn1 ZINC000594793778 468688450 /nfs/dbraw/zinc/68/84/50/468688450.db2.gz CPYFPJRLKXEVGM-SECBINFHSA-N -1 1 327.387 2.133 10 5 EEBEMM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599396200 469242497 /nfs/dbraw/zinc/24/24/97/469242497.db2.gz HDYQDTIJTFLFIH-OQPBUACISA-N -1 1 346.792 2.094 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccccn1)C1CCC1 ZINC000599412738 469247584 /nfs/dbraw/zinc/24/75/84/469247584.db2.gz QMMQHYMDSNZRTO-AWEZNQCLSA-N -1 1 348.384 2.205 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCc1ccccn1 ZINC000178911609 682531172 /nfs/dbraw/zinc/53/11/72/682531172.db2.gz WKOYAYJYSSFEBP-UHFFFAOYSA-N -1 1 339.348 2.040 10 5 EEBEMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cnc3n2CCC3)c1Cl ZINC000811831510 1200340208 /nfs/dbraw/zinc/34/02/08/1200340208.db2.gz CWJBMYMSRAECLY-UHFFFAOYSA-N -1 1 342.764 2.192 10 5 EEBEMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000854564552 1292853235 /nfs/dbraw/zinc/85/32/35/1292853235.db2.gz XFWYSTJWXDWNSB-NHYWBVRUSA-N -1 1 345.355 2.280 10 5 EEBEMM Cc1nc([C@@H](C)[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)no1 ZINC001329940060 1334745084 /nfs/dbraw/zinc/74/50/84/1334745084.db2.gz KMSOTXDORCUSQG-SSDOTTSWSA-N -1 1 342.258 2.135 10 5 EEBEMM O=C(Nc1ncccc1[O-])c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001556163629 1342423976 /nfs/dbraw/zinc/42/39/76/1342423976.db2.gz HTCJDXLATPDAQK-UHFFFAOYSA-N -1 1 325.284 2.133 10 5 EEBEMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001650852029 1354031371 /nfs/dbraw/zinc/03/13/71/1354031371.db2.gz YRXZNUPUGOUCGO-LBPRGKRZSA-N -1 1 329.312 2.087 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000920883208 770895601 /nfs/dbraw/zinc/89/56/01/770895601.db2.gz BOUWCDMWXUHJBC-HBNTYKKESA-N -1 1 328.365 2.448 10 5 EEBEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001176593563 798491123 /nfs/dbraw/zinc/49/11/23/798491123.db2.gz GYQSPGMSFLMNGV-UHFFFAOYSA-N -1 1 338.755 2.060 10 5 EEBEMM O=C(NCc1cccc(C(F)(F)F)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001457811259 1109775762 /nfs/dbraw/zinc/77/57/62/1109775762.db2.gz NZILJPVGQAHAHN-UHFFFAOYSA-N -1 1 342.233 2.039 10 5 EEBEMM O=C([O-])C[C@H](NCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072334051 203202077 /nfs/dbraw/zinc/20/20/77/203202077.db2.gz GAWOSWLTRAOFNX-HNNXBMFYSA-N -1 1 343.339 2.166 10 5 EEBEMM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000282658727 292847672 /nfs/dbraw/zinc/84/76/72/292847672.db2.gz MOXCYJQFOOSQRI-VIFPVBQESA-N -1 1 336.822 2.421 10 5 EEBEMM CN(C)Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2[O-])ccc1F ZINC000130500214 292374642 /nfs/dbraw/zinc/37/46/42/292374642.db2.gz NKQJFBDVEYFINR-UHFFFAOYSA-N -1 1 347.346 2.431 10 5 EEBEMM CN1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248489097 160348056 /nfs/dbraw/zinc/34/80/56/160348056.db2.gz HEUXHNHFICYSPL-RHSMWYFYSA-N -1 1 341.367 2.476 10 5 EEBEMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000445199100 315352010 /nfs/dbraw/zinc/35/20/10/315352010.db2.gz XGBPWTNGYGQTJT-SNVBAGLBSA-N -1 1 341.327 2.453 10 5 EEBEMM O=c1nc(Cn2cc([N+](=O)[O-])cn2)[n-]c2scc(-c3ccco3)c21 ZINC000133431696 462930993 /nfs/dbraw/zinc/93/09/93/462930993.db2.gz MOASXNZUWIIXSJ-UHFFFAOYSA-N -1 1 343.324 2.398 10 5 EEBEMM CCn1c(CCNC(=O)c2ccc([N+](=O)[O-])cc2C)n[n-]c1=S ZINC000067075240 462963419 /nfs/dbraw/zinc/96/34/19/462963419.db2.gz PAPITJZHADPQNX-UHFFFAOYSA-N -1 1 335.389 2.150 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]CC[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000330444503 465663817 /nfs/dbraw/zinc/66/38/17/465663817.db2.gz CKUXDRUSPGXWFI-VXGBXAGGSA-N -1 1 344.437 2.306 10 5 EEBEMM CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000357423275 466025235 /nfs/dbraw/zinc/02/52/35/466025235.db2.gz VCOXXIMEQLIXBP-ZJUUUORDSA-N -1 1 334.419 2.138 10 5 EEBEMM COc1ccccc1C1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000592828870 468799226 /nfs/dbraw/zinc/79/92/26/468799226.db2.gz KIUPHHJMHUMSBB-UHFFFAOYSA-N -1 1 329.312 2.123 10 5 EEBEMM O=[N+]([O-])c1ccc(CCS(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc1 ZINC000588144454 469121265 /nfs/dbraw/zinc/12/12/65/469121265.db2.gz JZGSMPDTLDFALI-GFCCVEGCSA-N -1 1 334.344 2.245 10 5 EEBEMM Cc1ccc2c([O-])c(C(=O)NCc3cccc([N+](=O)[O-])c3)cnc2n1 ZINC000604474636 469481699 /nfs/dbraw/zinc/48/16/99/469481699.db2.gz LUAGVDCRKCZXRP-UHFFFAOYSA-N -1 1 338.323 2.482 10 5 EEBEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1cccc([N+](=O)[O-])c1)c2=O ZINC000604474636 469481703 /nfs/dbraw/zinc/48/17/03/469481703.db2.gz LUAGVDCRKCZXRP-UHFFFAOYSA-N -1 1 338.323 2.482 10 5 EEBEMM CC(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262654 469996383 /nfs/dbraw/zinc/99/63/83/469996383.db2.gz GAYYKOFOFOZLBU-RYUDHWBXSA-N -1 1 327.406 2.483 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)[n-]1 ZINC001133686114 1201198830 /nfs/dbraw/zinc/19/88/30/1201198830.db2.gz SFIRWWRUOQAYIK-UHFFFAOYSA-N -1 1 345.311 2.473 10 5 EEBEMM O=C([N-]c1c(F)ccnc1F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001274533152 1205070922 /nfs/dbraw/zinc/07/09/22/1205070922.db2.gz QTGRWEQGJJITPQ-UHFFFAOYSA-N -1 1 337.238 2.292 10 5 EEBEMM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801700852 1236051656 /nfs/dbraw/zinc/05/16/56/1236051656.db2.gz SBERUSOMSBQKLM-MTFUZOHXSA-N -1 1 337.339 2.292 10 5 EEBEMM Cc1oc(S(C)(=O)=O)cc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC001124331825 1310873849 /nfs/dbraw/zinc/87/38/49/1310873849.db2.gz LDWFTDOYZKOVKU-UHFFFAOYSA-N -1 1 342.304 2.291 10 5 EEBEMM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1-c1cnn(C)c1 ZINC001569476515 1342880982 /nfs/dbraw/zinc/88/09/82/1342880982.db2.gz CDBZXVLXAMMDDA-UHFFFAOYSA-N -1 1 326.316 2.279 10 5 EEBEMM O=C(c1ccc(F)c([O-])c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001634313533 1352625440 /nfs/dbraw/zinc/62/54/40/1352625440.db2.gz MQZBRCMABJIXRQ-LLVKDONJSA-N -1 1 346.318 2.161 10 5 EEBEMM COc1cnc([C@H]2CCCN2Cc2csc([N+](=O)[O-])c2)[n-]c1=O ZINC001660522665 1354480791 /nfs/dbraw/zinc/48/07/91/1354480791.db2.gz SOJWREBZSNCOFK-SNVBAGLBSA-N -1 1 336.373 2.498 10 5 EEBEMM C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445209354 315351944 /nfs/dbraw/zinc/35/19/44/315351944.db2.gz GKEUUKOACCMVFZ-VXNVDRBHSA-N -1 1 333.266 2.498 10 5 EEBEMM C[C@H]1CN(CCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000580556215 324087683 /nfs/dbraw/zinc/08/76/83/324087683.db2.gz IDEIVDHSZZCCOP-RYUDHWBXSA-N -1 1 337.376 2.204 10 5 EEBEMM NC(=O)c1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000276171823 464832367 /nfs/dbraw/zinc/83/23/67/464832367.db2.gz HICVFMCONAERIL-UHFFFAOYSA-N -1 1 346.368 2.359 10 5 EEBEMM CCO[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000600637402 468607173 /nfs/dbraw/zinc/60/71/73/468607173.db2.gz UBXTZRPLSYNWAA-CQSZACIVSA-N -1 1 328.390 2.460 10 5 EEBEMM O=C([O-])C(F)(F)C(F)(F)c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000584617415 468907287 /nfs/dbraw/zinc/90/72/87/468907287.db2.gz ZLVJNYQTEMEDGM-UHFFFAOYSA-N -1 1 334.185 2.192 10 5 EEBEMM Cc1nc(C)c(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000599317073 469207564 /nfs/dbraw/zinc/20/75/64/469207564.db2.gz PLFRHQJWKLFAKY-UHFFFAOYSA-N -1 1 339.373 2.295 10 5 EEBEMM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000599316807 469208186 /nfs/dbraw/zinc/20/81/86/469208186.db2.gz NAJSZUQCZYVKKK-UHFFFAOYSA-N -1 1 345.764 2.332 10 5 EEBEMM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)[N-]OCCC(F)(F)F ZINC000813528067 1199069480 /nfs/dbraw/zinc/06/94/80/1199069480.db2.gz YIBFEJYKHHEVOX-UHFFFAOYSA-N -1 1 328.193 2.416 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CCCOC2)cc1F ZINC000867552125 1201632611 /nfs/dbraw/zinc/63/26/11/1201632611.db2.gz DXGBDFYSQPCEJE-LLVKDONJSA-N -1 1 346.380 2.137 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccnc1F ZINC000795268954 1212339023 /nfs/dbraw/zinc/33/90/23/1212339023.db2.gz ZPASDAAGDCBLBX-UHFFFAOYSA-N -1 1 345.739 2.261 10 5 EEBEMM Cc1nc2c(cccc2CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC001637623556 1352679529 /nfs/dbraw/zinc/67/95/29/1352679529.db2.gz LWUAULALTCINFS-UHFFFAOYSA-N -1 1 342.311 2.118 10 5 EEBEMM CCc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC001641932917 1352727235 /nfs/dbraw/zinc/72/72/35/1352727235.db2.gz LPZHGHGEJZNTOU-UHFFFAOYSA-N -1 1 327.340 2.456 10 5 EEBEMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc(F)ccc1N(C)C ZINC001653978805 1354137019 /nfs/dbraw/zinc/13/70/19/1354137019.db2.gz DLGBFQJNYGPLCU-SECBINFHSA-N -1 1 348.334 2.392 10 5 EEBEMM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCOCC1 ZINC000785399706 781357685 /nfs/dbraw/zinc/35/76/85/781357685.db2.gz YMPSWWIQUKDOEX-UHFFFAOYSA-N -1 1 334.419 2.140 10 5 EEBEMM CSc1ncc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC001467403830 1110455312 /nfs/dbraw/zinc/45/53/12/1110455312.db2.gz QGZPVJBPMLXPIS-UHFFFAOYSA-N -1 1 348.384 2.127 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC001532453947 1122752695 /nfs/dbraw/zinc/75/26/95/1122752695.db2.gz FSAZPDMLWIJBDJ-UHFFFAOYSA-N -1 1 338.707 2.400 10 5 EEBEMM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001535591382 1123583274 /nfs/dbraw/zinc/58/32/74/1123583274.db2.gz FJTSUYHVTUFTFC-UHFFFAOYSA-N -1 1 328.328 2.150 10 5 EEBEMM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356575265 141019909 /nfs/dbraw/zinc/01/99/09/141019909.db2.gz ADFYNDHYYNJEMW-HIFRSBDPSA-N -1 1 343.339 2.346 10 5 EEBEMM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000074975270 292178963 /nfs/dbraw/zinc/17/89/63/292178963.db2.gz OIWCMRQYRDQSMN-QPUJVOFHSA-N -1 1 334.419 2.138 10 5 EEBEMM Cc1nc2c(s1)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCC2 ZINC000365781813 282041929 /nfs/dbraw/zinc/04/19/29/282041929.db2.gz WFQVJYUGLLQWGR-SNVBAGLBSA-N -1 1 334.357 2.268 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc(F)cc(F)c2)s1 ZINC000131151261 462793826 /nfs/dbraw/zinc/79/38/26/462793826.db2.gz PIQUXGDTPSOEMD-UHFFFAOYSA-N -1 1 348.352 2.456 10 5 EEBEMM CN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H]1c1ccccc1 ZINC000182164097 464587055 /nfs/dbraw/zinc/58/70/55/464587055.db2.gz ZHTCPKZLBLFADU-WBVHZDCISA-N -1 1 341.367 2.476 10 5 EEBEMM Cc1noc([C@H]2CCCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n1 ZINC000593735778 469116125 /nfs/dbraw/zinc/11/61/25/469116125.db2.gz WZYCFRXOVVNCJZ-LBPRGKRZSA-N -1 1 346.343 2.364 10 5 EEBEMM O=C(Nc1cnn(-c2ccncc2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611555810 469278216 /nfs/dbraw/zinc/27/82/16/469278216.db2.gz DYEPIBSZHAGLEA-UHFFFAOYSA-N -1 1 325.284 2.133 10 5 EEBEMM CCOC(=O)c1noc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])c1C ZINC001289255357 1328013692 /nfs/dbraw/zinc/01/36/92/1328013692.db2.gz KYMAEUGUTMWLNK-UHFFFAOYSA-N -1 1 337.263 2.459 10 5 EEBEMM C[C@H](OC(=O)c1cc(=O)[n-]c(N(C)C)n1)c1ccccc1[N+](=O)[O-] ZINC000786493889 806799092 /nfs/dbraw/zinc/79/90/92/806799092.db2.gz NYDZMUQZOKHBRC-VIFPVBQESA-N -1 1 332.316 2.074 10 5 EEBEMM O=C(c1cccc([O-])c1F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001540257131 1124078994 /nfs/dbraw/zinc/07/89/94/1124078994.db2.gz LMGWDIXSRYLIDG-UHFFFAOYSA-N -1 1 345.330 2.402 10 5 EEBEMM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000074975274 292179001 /nfs/dbraw/zinc/17/90/01/292179001.db2.gz OIWCMRQYRDQSMN-UFBFGSQYSA-N -1 1 334.419 2.138 10 5 EEBEMM CCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 ZINC000126452997 292310937 /nfs/dbraw/zinc/31/09/37/292310937.db2.gz MDBXQPWTMCZJHO-UHFFFAOYSA-N -1 1 328.325 2.210 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2[nH]c3ccccc3c2C1 ZINC000186820668 160084860 /nfs/dbraw/zinc/08/48/60/160084860.db2.gz IOGBTVLFBOUFMR-UHFFFAOYSA-N -1 1 338.323 2.375 10 5 EEBEMM CCC[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000285159523 274686971 /nfs/dbraw/zinc/68/69/71/274686971.db2.gz AKUKRDWGHTVACX-CYBMUJFWSA-N -1 1 348.808 2.486 10 5 EEBEMM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188277651 279924836 /nfs/dbraw/zinc/92/48/36/279924836.db2.gz VLBROOGHYOKTRG-NHYWBVRUSA-N -1 1 343.339 2.298 10 5 EEBEMM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000159939626 311347902 /nfs/dbraw/zinc/34/79/02/311347902.db2.gz AFCWFLOEOVNYQW-SECBINFHSA-N -1 1 327.387 2.481 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CC2CCC1CC2 ZINC000578439451 320314671 /nfs/dbraw/zinc/31/46/71/320314671.db2.gz BIQYXAFOVTXLIJ-MCIGGMRASA-N -1 1 325.390 2.094 10 5 EEBEMM CN(C)[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1cccc(F)c1 ZINC000357341136 465963160 /nfs/dbraw/zinc/96/31/60/465963160.db2.gz CKKMSPRJIWAFGI-AWEZNQCLSA-N -1 1 347.346 2.472 10 5 EEBEMM CN(C)Cc1cnc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])s1 ZINC000349104520 465971268 /nfs/dbraw/zinc/97/12/68/465971268.db2.gz FIJLWKQFGOXDCI-ONEGZZNKSA-N -1 1 334.357 2.377 10 5 EEBEMM CN(C)c1nc2ccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2[nH]1 ZINC000357419383 466021317 /nfs/dbraw/zinc/02/13/17/466021317.db2.gz IPRHASSLWRZXLE-UHFFFAOYSA-N -1 1 341.327 2.495 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)O2)cc1F ZINC000867516520 1201626042 /nfs/dbraw/zinc/62/60/42/1201626042.db2.gz GPJUILQMVZRQCF-MNOVXSKESA-N -1 1 346.380 2.278 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000927313968 1206252355 /nfs/dbraw/zinc/25/23/55/1206252355.db2.gz MCOWNETXYZTBJU-SUMWQHHRSA-N -1 1 325.324 2.109 10 5 EEBEMM COc1ccc(F)cc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000778086750 1207607940 /nfs/dbraw/zinc/60/79/40/1207607940.db2.gz XLIYPYIKICXGFZ-UHFFFAOYSA-N -1 1 346.361 2.283 10 5 EEBEMM CO[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000842807486 1315776954 /nfs/dbraw/zinc/77/69/54/1315776954.db2.gz YRPIUQZEZTUHPM-LLVKDONJSA-N -1 1 334.781 2.415 10 5 EEBEMM Cc1cc(C=O)c([O-])c(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1 ZINC001624450581 1352421365 /nfs/dbraw/zinc/42/13/65/1352421365.db2.gz DBOZALRFDYPMJL-UHFFFAOYSA-N -1 1 343.339 2.263 10 5 EEBEMM Cc1ccnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001653070820 1354112588 /nfs/dbraw/zinc/11/25/88/1354112588.db2.gz REPUVASCOISVGX-UHFFFAOYSA-N -1 1 331.353 2.347 10 5 EEBEMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc(F)ccc1N(C)C ZINC001653978806 1354137114 /nfs/dbraw/zinc/13/71/14/1354137114.db2.gz DLGBFQJNYGPLCU-VIFPVBQESA-N -1 1 348.334 2.392 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)c(F)c1 ZINC000921619222 790042986 /nfs/dbraw/zinc/04/29/86/790042986.db2.gz NOOYGYNBFCKALZ-POYBYMJQSA-N -1 1 342.270 2.211 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC3(CC3(F)F)C2)c(F)c1 ZINC001118381829 795055315 /nfs/dbraw/zinc/05/53/15/795055315.db2.gz NGUBCMQTYCTMCT-UHFFFAOYSA-N -1 1 336.291 2.200 10 5 EEBEMM O=C(Nc1cc(F)c([O-])cc1Cl)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001184392126 802006724 /nfs/dbraw/zinc/00/67/24/802006724.db2.gz BEZMGZBVCOFOCM-UHFFFAOYSA-N -1 1 327.655 2.446 10 5 EEBEMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)n1 ZINC001532709435 1122900030 /nfs/dbraw/zinc/90/00/30/1122900030.db2.gz UOWULOVIEXSANL-SNVBAGLBSA-N -1 1 335.345 2.254 10 5 EEBEMM CSc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000012854866 211469422 /nfs/dbraw/zinc/46/94/22/211469422.db2.gz OHYHGNZKKPVDCG-UHFFFAOYSA-N -1 1 333.369 2.277 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc(F)c2F)s1 ZINC000352470896 162146941 /nfs/dbraw/zinc/14/69/41/162146941.db2.gz NWLVLTGHUZTFDP-UHFFFAOYSA-N -1 1 348.352 2.456 10 5 EEBEMM CC[C@H](C)c1nc([C@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])n[nH]1 ZINC000355333059 163148271 /nfs/dbraw/zinc/14/82/71/163148271.db2.gz HCZANSAJZNUQPX-IUCAKERBSA-N -1 1 333.348 2.423 10 5 EEBEMM Cc1noc(C)c1[C@@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000158735354 463250425 /nfs/dbraw/zinc/25/04/25/463250425.db2.gz DOYDSPGBPLERHQ-ZETCQYMHSA-N -1 1 345.402 2.343 10 5 EEBEMM CCC[C@@H](NC(=O)C(C)=Cc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000183068870 464789263 /nfs/dbraw/zinc/78/92/63/464789263.db2.gz JENZPLFEVRAYHY-WTNCMQEWSA-N -1 1 330.348 2.169 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2ccccn2)CC1 ZINC000372217434 466232633 /nfs/dbraw/zinc/23/26/33/466232633.db2.gz PIZNVWDBFSXJIF-UHFFFAOYSA-N -1 1 328.328 2.110 10 5 EEBEMM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594800908 468690525 /nfs/dbraw/zinc/69/05/25/468690525.db2.gz JNDFZVZZMGAFJV-SNVBAGLBSA-N -1 1 334.419 2.140 10 5 EEBEMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000588144316 469121498 /nfs/dbraw/zinc/12/14/98/469121498.db2.gz DOMMIGSYRNKFPI-GFCCVEGCSA-N -1 1 334.344 2.245 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]CC[C@@H]2CCCC2(C)C)c([N+](=O)[O-])n1 ZINC000599358153 469224867 /nfs/dbraw/zinc/22/48/67/469224867.db2.gz FLANKMZWWWHDLS-NSHDSACASA-N -1 1 344.437 2.306 10 5 EEBEMM Cc1ccccc1CC1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618382386 469980212 /nfs/dbraw/zinc/98/02/12/469980212.db2.gz ZREMGHFQLYQCQL-UHFFFAOYSA-N -1 1 327.340 2.319 10 5 EEBEMM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])o1 ZINC000610267312 469997153 /nfs/dbraw/zinc/99/71/53/469997153.db2.gz XCQWLYLTLWVAAG-SNVBAGLBSA-N -1 1 339.373 2.191 10 5 EEBEMM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCO1 ZINC000867422123 1289877503 /nfs/dbraw/zinc/87/75/03/1289877503.db2.gz URCMCNMUKYEXIN-QWRGUYRKSA-N -1 1 346.380 2.278 10 5 EEBEMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cn(-c2cccnc2)nn1 ZINC001124746447 1310945369 /nfs/dbraw/zinc/94/53/69/1310945369.db2.gz AYWRGJMSKHVNMQ-UHFFFAOYSA-N -1 1 346.253 2.101 10 5 EEBEMM Cc1cc(C=O)c([O-])c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC001291969768 1328350466 /nfs/dbraw/zinc/35/04/66/1328350466.db2.gz JXDYMXKETZGSPQ-UHFFFAOYSA-N -1 1 328.324 2.394 10 5 EEBEMM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1C ZINC001297781154 1330004263 /nfs/dbraw/zinc/00/42/63/1330004263.db2.gz ZCLOJBXSKIJDRS-UHFFFAOYSA-N -1 1 346.343 2.320 10 5 EEBEMM CSc1nc(CNc2cc(F)c([N+](=O)[O-])cc2CO)cc(=O)[n-]1 ZINC001640090874 1352705973 /nfs/dbraw/zinc/70/59/73/1352705973.db2.gz XXQDGVKFGPGFDC-UHFFFAOYSA-N -1 1 340.336 2.056 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000157118092 789473544 /nfs/dbraw/zinc/47/35/44/789473544.db2.gz PCHSZZKLBWOJBI-UHFFFAOYSA-N -1 1 330.362 2.316 10 5 EEBEMM COCCOCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC001472164465 1110547475 /nfs/dbraw/zinc/54/74/75/1110547475.db2.gz NBYUSFXYEJVLGZ-UHFFFAOYSA-N -1 1 349.343 2.217 10 5 EEBEMM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001528205485 1120965383 /nfs/dbraw/zinc/96/53/83/1120965383.db2.gz LTEVMNFFRJKOTJ-UHFFFAOYSA-N -1 1 344.327 2.230 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC001534719736 1123393801 /nfs/dbraw/zinc/39/38/01/1123393801.db2.gz VGZDYHPDCKHQMS-UHFFFAOYSA-N -1 1 331.284 2.164 10 5 EEBEMM O=C([N-]c1nnc(C(F)(F)F)s1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001543498552 1124130818 /nfs/dbraw/zinc/13/08/18/1124130818.db2.gz DIDJZJVBXZSVBV-UHFFFAOYSA-N -1 1 342.646 2.094 10 5 EEBEMM C[C@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000052288885 214124461 /nfs/dbraw/zinc/12/44/61/214124461.db2.gz BPAPYLCYHCFEPG-POYBYMJQSA-N -1 1 335.179 2.044 10 5 EEBEMM Cc1cccc2nc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])[nH]c21 ZINC000129959057 292365659 /nfs/dbraw/zinc/36/56/59/292365659.db2.gz QCEGMRSFFRQSRL-UHFFFAOYSA-N -1 1 346.368 2.258 10 5 EEBEMM CN(C)[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccsc1 ZINC000505602063 316364269 /nfs/dbraw/zinc/36/42/69/316364269.db2.gz LCFDEOXAYDISCB-AWEZNQCLSA-N -1 1 335.385 2.395 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2ccccn2)C1 ZINC000590401250 468246727 /nfs/dbraw/zinc/24/67/27/468246727.db2.gz JSOPQMPFLNBQGG-LLVKDONJSA-N -1 1 328.328 2.110 10 5 EEBEMM CC(C)[C@H](O)[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000598774727 469000203 /nfs/dbraw/zinc/00/02/03/469000203.db2.gz LIEXQGJYGIBLDA-GJZGRUSLSA-N -1 1 345.355 2.183 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593788108 469137936 /nfs/dbraw/zinc/13/79/36/469137936.db2.gz YJTQKKSGOBLWOR-UHFFFAOYSA-N -1 1 349.240 2.202 10 5 EEBEMM CC(C)[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599208287 469164238 /nfs/dbraw/zinc/16/42/38/469164238.db2.gz DMUXUTNIQUHPQO-CYBMUJFWSA-N -1 1 338.389 2.004 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001272342281 1190773940 /nfs/dbraw/zinc/77/39/40/1190773940.db2.gz PAAVWWAUAOOPQR-VXGBXAGGSA-N -1 1 344.327 2.237 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2SCCS2)s1 ZINC000851845858 1291881985 /nfs/dbraw/zinc/88/19/85/1291881985.db2.gz VMPYAVCDRUWGJL-UHFFFAOYSA-N -1 1 340.473 2.131 10 5 EEBEMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001593771034 1349872648 /nfs/dbraw/zinc/87/26/48/1349872648.db2.gz SXVJMVAQRNUYRA-UHFFFAOYSA-N -1 1 328.328 2.240 10 5 EEBEMM COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000921421765 773350746 /nfs/dbraw/zinc/35/07/46/773350746.db2.gz KEKRIPSJTPVSRQ-QMMMGPOBSA-N -1 1 336.797 2.340 10 5 EEBEMM COc1ccc(C(=O)CNC(=O)c2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC001171017488 787745541 /nfs/dbraw/zinc/74/55/41/787745541.db2.gz YFJGRIUSQAFAFB-UHFFFAOYSA-N -1 1 348.286 2.061 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](Cc2nccs2)C1 ZINC001178148621 799299699 /nfs/dbraw/zinc/29/96/99/799299699.db2.gz YFUYRLHOIMCGMX-JTQLQIEISA-N -1 1 348.384 2.247 10 5 EEBEMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc(C2CCC2)n[nH]1 ZINC000274215577 256364532 /nfs/dbraw/zinc/36/45/32/256364532.db2.gz QHOODKOPPZUUJQ-UHFFFAOYSA-N -1 1 337.361 2.090 10 5 EEBEMM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000377392714 154177311 /nfs/dbraw/zinc/17/73/11/154177311.db2.gz YGHBNAALOSFYNS-SDBXPKJASA-N -1 1 340.382 2.457 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@@H]2O)s1 ZINC000127863313 292331782 /nfs/dbraw/zinc/33/17/82/292331782.db2.gz SGSCKJHXSGZAFF-MNOVXSKESA-N -1 1 348.446 2.266 10 5 EEBEMM CCC[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000352344024 162095680 /nfs/dbraw/zinc/09/56/80/162095680.db2.gz CBRSPBIYOBSZKK-ZDUSSCGKSA-N -1 1 348.808 2.486 10 5 EEBEMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000445199097 315351927 /nfs/dbraw/zinc/35/19/27/315351927.db2.gz XGBPWTNGYGQTJT-JTQLQIEISA-N -1 1 341.327 2.453 10 5 EEBEMM C[C@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525689325 317067704 /nfs/dbraw/zinc/06/77/04/317067704.db2.gz QPWZOSUKKJTAJN-RYUDHWBXSA-N -1 1 327.406 2.485 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]CC[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000330444500 465664144 /nfs/dbraw/zinc/66/41/44/465664144.db2.gz CKUXDRUSPGXWFI-RYUDHWBXSA-N -1 1 344.437 2.306 10 5 EEBEMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1(CO)CCC1 ZINC000490098704 468196074 /nfs/dbraw/zinc/19/60/74/468196074.db2.gz UHWGSAQNNMNZBR-LBPRGKRZSA-N -1 1 348.446 2.122 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(F)(c2ccccn2)CC1 ZINC000556826211 468583584 /nfs/dbraw/zinc/58/35/84/468583584.db2.gz QAUFXZAWHBTIMW-UHFFFAOYSA-N -1 1 346.318 2.191 10 5 EEBEMM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000595364930 468826773 /nfs/dbraw/zinc/82/67/73/468826773.db2.gz KDFXUWJKTWLEKD-JTQLQIEISA-N -1 1 334.419 2.140 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCCO2)s1 ZINC000601517035 468903752 /nfs/dbraw/zinc/90/37/52/468903752.db2.gz OEROJVBTAOWPBA-GWCFXTLKSA-N -1 1 346.430 2.282 10 5 EEBEMM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588144893 469121081 /nfs/dbraw/zinc/12/10/81/469121081.db2.gz YMLKLEZLOWQASE-MRVPVSSYSA-N -1 1 326.346 2.431 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC[C@@H]1CCCOC1 ZINC000599365192 469229577 /nfs/dbraw/zinc/22/95/77/469229577.db2.gz UESZMBHPWOJWEW-JTQLQIEISA-N -1 1 348.808 2.343 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000927313966 1206252374 /nfs/dbraw/zinc/25/23/74/1206252374.db2.gz MCOWNETXYZTBJU-DYVFJYSZSA-N -1 1 325.324 2.109 10 5 EEBEMM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934434748 1207962937 /nfs/dbraw/zinc/96/29/37/1207962937.db2.gz OIEGVLRNYQBXCT-CRAIPNDOSA-N -1 1 328.368 2.336 10 5 EEBEMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)n1 ZINC001558919486 1342492156 /nfs/dbraw/zinc/49/21/56/1342492156.db2.gz QCMVQYUBKSREIK-UHFFFAOYSA-N -1 1 342.290 2.475 10 5 EEBEMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc(C3CCOCC3)ns2)n1 ZINC001624321478 1352418903 /nfs/dbraw/zinc/41/89/03/1352418903.db2.gz YXDJYXUPXNSUBM-UHFFFAOYSA-N -1 1 349.372 2.296 10 5 EEBEMM Cc1nnc(COc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)o1 ZINC001144443550 789809376 /nfs/dbraw/zinc/80/93/76/789809376.db2.gz BBOCDTFFCIKVKK-UHFFFAOYSA-N -1 1 343.299 2.446 10 5 EEBEMM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)[N-]c1nncs1 ZINC001441750267 1095742655 /nfs/dbraw/zinc/74/26/55/1095742655.db2.gz OBQDNHXPCPTSAA-UHFFFAOYSA-N -1 1 341.736 2.310 10 5 EEBEMM Cc1cncc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001471302002 1110520517 /nfs/dbraw/zinc/52/05/17/1110520517.db2.gz WXWVMNORYOTSPP-CYBMUJFWSA-N -1 1 328.328 2.376 10 5 EEBEMM Cc1csc([C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)n1 ZINC000187144511 160094105 /nfs/dbraw/zinc/09/41/05/160094105.db2.gz KTZGDAIBAMWYCK-SNVBAGLBSA-N -1 1 348.384 2.480 10 5 EEBEMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000193094639 465026599 /nfs/dbraw/zinc/02/65/99/465026599.db2.gz QVZGAJCDHQRQHA-UHFFFAOYSA-N -1 1 338.323 2.104 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1Cc2ccccc2C2(CC2)C1 ZINC000194030933 463775794 /nfs/dbraw/zinc/77/57/94/463775794.db2.gz DEVLBUDWGSFDHY-UHFFFAOYSA-N -1 1 325.324 2.383 10 5 EEBEMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000346356876 466088347 /nfs/dbraw/zinc/08/83/47/466088347.db2.gz XNMOVSQJZCDHFN-UHFFFAOYSA-N -1 1 342.315 2.053 10 5 EEBEMM O=[N+]([O-])c1ccc(CCS(=O)(=O)[N-][C@H]2CCCC2(F)F)cc1 ZINC000588144455 469121336 /nfs/dbraw/zinc/12/13/36/469121336.db2.gz JZGSMPDTLDFALI-LBPRGKRZSA-N -1 1 334.344 2.245 10 5 EEBEMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc([N+](=O)[O-])cn1 ZINC000761987075 577692904 /nfs/dbraw/zinc/69/29/04/577692904.db2.gz QZYKOKZDWPHYJN-UHFFFAOYSA-N -1 1 342.263 2.159 10 5 EEBEMM O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000800696139 1234444815 /nfs/dbraw/zinc/44/48/15/1234444815.db2.gz YOANYBFLOULYPR-LLVKDONJSA-N -1 1 333.731 2.246 10 5 EEBEMM COC(=O)c1cc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)o1 ZINC000780074591 1236603961 /nfs/dbraw/zinc/60/39/61/1236603961.db2.gz GLDOYTKXFVLARV-UHFFFAOYSA-N -1 1 335.268 2.345 10 5 EEBEMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000859342136 1294401269 /nfs/dbraw/zinc/40/12/69/1294401269.db2.gz VHHMTPKOQYRBQL-NMSKTSORSA-N -1 1 348.808 2.338 10 5 EEBEMM Cc1ccc(CNC(=O)c2cnc(C3CC3)[n-]c2=O)cc1[N+](=O)[O-] ZINC001632371986 1352596371 /nfs/dbraw/zinc/59/63/71/1352596371.db2.gz VMXWNBGDRALNND-UHFFFAOYSA-N -1 1 328.328 2.206 10 5 EEBEMM O=C(NCc1cnccc1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001453802831 1106492329 /nfs/dbraw/zinc/49/23/29/1106492329.db2.gz CXMSTLBBIVVLAQ-UHFFFAOYSA-N -1 1 342.233 2.039 10 5 EEBEMM COc1c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cccc1[N+](=O)[O-] ZINC001528623498 1121095185 /nfs/dbraw/zinc/09/51/85/1121095185.db2.gz YZRIHOHIKBHZSG-UHFFFAOYSA-N -1 1 344.327 2.230 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOc3ccccc32)s1 ZINC000066327417 215033295 /nfs/dbraw/zinc/03/32/95/215033295.db2.gz SMISQLRQOLXBGZ-SNVBAGLBSA-N -1 1 340.382 2.458 10 5 EEBEMM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO[C@@H]1C1CC1 ZINC000368770419 166124266 /nfs/dbraw/zinc/12/42/66/166124266.db2.gz OZMSRESSTFHKKW-OLZOCXBDSA-N -1 1 346.430 2.140 10 5 EEBEMM CO[C@@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000416578538 313263895 /nfs/dbraw/zinc/26/38/95/313263895.db2.gz AUNLPZQAOBBDIT-PELKAZGASA-N -1 1 334.419 2.138 10 5 EEBEMM CSc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000527368757 317190171 /nfs/dbraw/zinc/19/01/71/317190171.db2.gz CWNOTYAGRZEVEX-UHFFFAOYSA-N -1 1 339.398 2.190 10 5 EEBEMM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188277627 464242827 /nfs/dbraw/zinc/24/28/27/464242827.db2.gz VLBROOGHYOKTRG-ABAIWWIYSA-N -1 1 343.339 2.298 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cn2)s1 ZINC000180602004 464346783 /nfs/dbraw/zinc/34/67/83/464346783.db2.gz PHPUZNUNARJSGU-UHFFFAOYSA-N -1 1 333.778 2.183 10 5 EEBEMM C[N@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1c1ccccc1 ZINC000248516615 464760469 /nfs/dbraw/zinc/76/04/69/464760469.db2.gz HCWQYHJPYJEJAT-DOTOQJQBSA-N -1 1 341.367 2.476 10 5 EEBEMM Cc1ccc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cn1 ZINC000371811831 466010667 /nfs/dbraw/zinc/01/06/67/466010667.db2.gz XXCBNSWTMNZMDK-UHFFFAOYSA-N -1 1 342.355 2.419 10 5 EEBEMM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCC(F)(F)CC1 ZINC000593576567 469044205 /nfs/dbraw/zinc/04/42/05/469044205.db2.gz YMXKOJLZCJOOKB-UHFFFAOYSA-N -1 1 335.332 2.236 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[n-]1 ZINC001625888403 1179858370 /nfs/dbraw/zinc/85/83/70/1179858370.db2.gz ZRYZGGLWSOCTFS-UHFFFAOYSA-N -1 1 345.311 2.473 10 5 EEBEMM CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000799832559 1305462336 /nfs/dbraw/zinc/46/23/36/1305462336.db2.gz GFPGJXZIMYDOSS-JQWIXIFHSA-N -1 1 348.808 2.484 10 5 EEBEMM O=C(NCc1ccnc(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001298122095 1330038138 /nfs/dbraw/zinc/03/81/38/1330038138.db2.gz LAVJMZVNSCPBLR-UHFFFAOYSA-N -1 1 342.233 2.039 10 5 EEBEMM Cc1[nH]nc(C(=O)Nc2ccc(Br)c([O-])c2)c1[N+](=O)[O-] ZINC001331332396 1334998047 /nfs/dbraw/zinc/99/80/47/1334998047.db2.gz BCAMFBRDPZEQER-UHFFFAOYSA-N -1 1 341.121 2.347 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccccc2[N+](=O)[O-])[n-]1 ZINC001584257716 1348726577 /nfs/dbraw/zinc/72/65/77/1348726577.db2.gz WPJFIDXJUPPVRN-UHFFFAOYSA-N -1 1 331.284 2.164 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cnc(Cl)s2)s1 ZINC000809848665 783410153 /nfs/dbraw/zinc/41/01/53/783410153.db2.gz MYURLZMGFSEHGI-UHFFFAOYSA-N -1 1 339.807 2.245 10 5 EEBEMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCS1 ZINC000921713552 795587910 /nfs/dbraw/zinc/58/79/10/795587910.db2.gz AFPOZTMMEJNUDI-BDAKNGLRSA-N -1 1 334.394 2.296 10 5 EEBEMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cnn(CC2CCC2)c1 ZINC001472632332 1110561245 /nfs/dbraw/zinc/56/12/45/1110561245.db2.gz QSVXIGWJVJMKGT-JTQLQIEISA-N -1 1 345.359 2.183 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cccc([N+](=O)[O-])c2C)[n-]1 ZINC001537609836 1124010350 /nfs/dbraw/zinc/01/03/50/1124010350.db2.gz QBPRVPVIZKTMTR-UHFFFAOYSA-N -1 1 345.311 2.473 10 5 EEBEMM Cc1cccc2nc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)[nH]c21 ZINC000130704266 292377803 /nfs/dbraw/zinc/37/78/03/292377803.db2.gz MMSSCILIAZXFFG-UHFFFAOYSA-N -1 1 326.312 2.415 10 5 EEBEMM Cc1nc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2C)sc1C ZINC000360121072 164237689 /nfs/dbraw/zinc/23/76/89/164237689.db2.gz DLOGLIDCSSTDRV-UHFFFAOYSA-N -1 1 341.414 2.455 10 5 EEBEMM Cc1c(Cl)cc(S(=O)(=O)[N-]CC(F)(F)F)cc1[N+](=O)[O-] ZINC000298128102 294427248 /nfs/dbraw/zinc/42/72/48/294427248.db2.gz WYTAZJITCHATET-UHFFFAOYSA-N -1 1 332.687 2.397 10 5 EEBEMM CO[C@](C)([C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000416578548 313263719 /nfs/dbraw/zinc/26/37/19/313263719.db2.gz AUNLPZQAOBBDIT-QPUJVOFHSA-N -1 1 334.419 2.138 10 5 EEBEMM Cc1ccc2c([O-])c(C(=O)NCc3ccc([N+](=O)[O-])cc3)cnc2n1 ZINC000028526479 463228254 /nfs/dbraw/zinc/22/82/54/463228254.db2.gz HHAVWYHRLUEVRA-UHFFFAOYSA-N -1 1 338.323 2.482 10 5 EEBEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1ccc([N+](=O)[O-])cc1)c2=O ZINC000028526479 463228259 /nfs/dbraw/zinc/22/82/59/463228259.db2.gz HHAVWYHRLUEVRA-UHFFFAOYSA-N -1 1 338.323 2.482 10 5 EEBEMM Cc1cn2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2n1 ZINC000350730984 466589911 /nfs/dbraw/zinc/58/99/11/466589911.db2.gz XIKMJESDXKUMJR-UHFFFAOYSA-N -1 1 332.341 2.352 10 5 EEBEMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCCO1 ZINC000594489343 468607467 /nfs/dbraw/zinc/60/74/67/468607467.db2.gz ZHVQUMNQCGZYGC-NXEZZACHSA-N -1 1 334.419 2.282 10 5 EEBEMM Cc1ccnc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)c1 ZINC000598738453 468979709 /nfs/dbraw/zinc/97/97/09/468979709.db2.gz KVCZRQZRNPEBRJ-NSHDSACASA-N -1 1 328.328 2.029 10 5 EEBEMM CC1(C)CCC[C@@H]1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000599358877 469226537 /nfs/dbraw/zinc/22/65/37/469226537.db2.gz NQIJKQYHQVIWQQ-LLVKDONJSA-N -1 1 327.406 2.485 10 5 EEBEMM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000119705416 1229584275 /nfs/dbraw/zinc/58/42/75/1229584275.db2.gz YGLGVNUJTKRLKJ-SSDOTTSWSA-N -1 1 333.416 2.461 10 5 EEBEMM CC(C)(C(=O)Nc1ccc([O-])c(F)c1F)n1cc([N+](=O)[O-])cn1 ZINC001157806115 1318874257 /nfs/dbraw/zinc/87/42/57/1318874257.db2.gz UUXYHYJUJUTCNQ-UHFFFAOYSA-N -1 1 326.259 2.149 10 5 EEBEMM O=C([N-]c1nnc(-c2ccncc2)s1)c1ccc([N+](=O)[O-])cn1 ZINC001322655420 1333301815 /nfs/dbraw/zinc/30/18/15/1333301815.db2.gz MBQVPXFBZRNBEG-UHFFFAOYSA-N -1 1 328.313 2.156 10 5 EEBEMM CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC001611683357 1352303411 /nfs/dbraw/zinc/30/34/11/1352303411.db2.gz SUSGXPZLDVRQEO-UHFFFAOYSA-N -1 1 331.328 2.067 10 5 EEBEMM COc1cnc([C@@H]2CCCN2Cc2ccccc2[N+](=O)[O-])[n-]c1=O ZINC001620647958 1352361145 /nfs/dbraw/zinc/36/11/45/1352361145.db2.gz INHGWTKGZLCDOF-ZDUSSCGKSA-N -1 1 330.344 2.436 10 5 EEBEMM CC(C)n1cnc([N-]C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)n1 ZINC001461305418 1110339922 /nfs/dbraw/zinc/33/99/22/1110339922.db2.gz BLIFFHJNSBJXBI-UHFFFAOYSA-N -1 1 347.331 2.181 10 5 EEBEMM Nc1c(C(=O)NCCc2c(F)cc([O-])cc2F)cccc1[N+](=O)[O-] ZINC001472041183 1110539704 /nfs/dbraw/zinc/53/97/04/1110539704.db2.gz HXFUQNJKLLHAME-UHFFFAOYSA-N -1 1 337.282 2.133 10 5 EEBEMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)c(OC)cc2F)n1 ZINC000191668748 237264893 /nfs/dbraw/zinc/26/48/93/237264893.db2.gz HXBNPAVISMOYNV-UHFFFAOYSA-N -1 1 326.259 2.350 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCO)C2CCCCC2)s1 ZINC000162004336 255805404 /nfs/dbraw/zinc/80/54/04/255805404.db2.gz TYTZJHBWSXUDGY-NSHDSACASA-N -1 1 348.446 2.266 10 5 EEBEMM CCc1[nH]nc(C(=O)[N-]c2ncn(C3CCCCC3)n2)c1[N+](=O)[O-] ZINC000276730100 256462426 /nfs/dbraw/zinc/46/24/26/256462426.db2.gz DHYFRATXWPHQCT-UHFFFAOYSA-N -1 1 333.352 2.229 10 5 EEBEMM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000125312168 292295751 /nfs/dbraw/zinc/29/57/51/292295751.db2.gz IRJYBMPQMPZHFH-QMMMGPOBSA-N -1 1 348.427 2.038 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2ccc(F)c(F)c2C1 ZINC000444959912 315334882 /nfs/dbraw/zinc/33/48/82/315334882.db2.gz SFZXPODUAPLTSA-UHFFFAOYSA-N -1 1 335.266 2.172 10 5 EEBEMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000867608621 1201642689 /nfs/dbraw/zinc/64/26/89/1201642689.db2.gz BBWDEKROGHGDDO-KHQFGBGNSA-N -1 1 334.781 2.092 10 5 EEBEMM COC(=O)[C@](C)(CCF)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000855910689 1293364523 /nfs/dbraw/zinc/36/45/23/1293364523.db2.gz PVOLSARGSINHJF-ZDUSSCGKSA-N -1 1 348.277 2.094 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CO[C@H](C2CC2)C1 ZINC000859368262 1294413353 /nfs/dbraw/zinc/41/33/53/1294413353.db2.gz XEQMYTMMQSGBGC-PWSUYJOCSA-N -1 1 346.792 2.094 10 5 EEBEMM Nc1cc([N+](=O)[O-])ccc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001156723429 1318181069 /nfs/dbraw/zinc/18/10/69/1318181069.db2.gz ZNIRUAVYVRCYCV-UHFFFAOYSA-N -1 1 337.282 2.133 10 5 EEBEMM COc1ccc(C(=O)CNC(=O)c2ccc(F)c([O-])c2)cc1[N+](=O)[O-] ZINC001631864260 1352590534 /nfs/dbraw/zinc/59/05/34/1352590534.db2.gz PYNDGKLWTULEGM-UHFFFAOYSA-N -1 1 348.286 2.061 10 5 EEBEMM COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000921421999 773350521 /nfs/dbraw/zinc/35/05/21/773350521.db2.gz OSMJLMFGCIJBRL-MRVPVSSYSA-N -1 1 336.797 2.340 10 5 EEBEMM Cc1cnc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c([O-])c1 ZINC000562342866 318871281 /nfs/dbraw/zinc/87/12/81/318871281.db2.gz HUTKCQSOCVOQEE-UHFFFAOYSA-N -1 1 340.339 2.458 10 5 EEBEMM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593589561 469049624 /nfs/dbraw/zinc/04/96/24/469049624.db2.gz UQLLHOLRJIIQML-VIFPVBQESA-N -1 1 341.311 2.245 10 5 EEBEMM COc1cnc([C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2)[n-]c1=O ZINC001158517690 1319281026 /nfs/dbraw/zinc/28/10/26/1319281026.db2.gz YFKQODWXZOKISH-GFCCVEGCSA-N -1 1 344.327 2.076 10 5 EEBEMM CCc1cc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)on1 ZINC000848584334 1338724567 /nfs/dbraw/zinc/72/45/67/1338724567.db2.gz UYGJMCAPVLSSBI-UHFFFAOYSA-N -1 1 341.270 2.433 10 5 EEBEMM O=C(Nc1[nH]nc2nc(C(F)(F)F)ccc21)c1ccc([N+](=O)[O-])[n-]1 ZINC001558818736 1342489326 /nfs/dbraw/zinc/48/93/26/1342489326.db2.gz NFYACVSRMVHEQZ-UHFFFAOYSA-N -1 1 340.221 2.465 10 5 EEBEMM COc1ccc(C(=O)CNC(=O)c2cccc([O-])c2F)cc1[N+](=O)[O-] ZINC001635396175 1352645068 /nfs/dbraw/zinc/64/50/68/1352645068.db2.gz MQQMYUGNOZIQKS-UHFFFAOYSA-N -1 1 348.286 2.061 10 5 EEBEMM COc1ccccc1C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001650982820 1354036071 /nfs/dbraw/zinc/03/60/71/1354036071.db2.gz MADYYYBWMPDKBG-JTQLQIEISA-N -1 1 331.328 2.065 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)s1 ZINC000920045139 770522907 /nfs/dbraw/zinc/52/29/07/770522907.db2.gz SLAIDXZBDZJYLP-YFKPBYRVSA-N -1 1 331.202 2.128 10 5 EEBEMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1C1CCCC1 ZINC001520684899 1119186766 /nfs/dbraw/zinc/18/67/66/1119186766.db2.gz LQXYOAKQGVTGCT-LBPRGKRZSA-N -1 1 333.388 2.389 10 5 EEBEMM CCOC(=O)c1nc(NC(=O)c2csc([N+](=O)[O-])c2)[n-]c1Cl ZINC001538324514 1124025056 /nfs/dbraw/zinc/02/50/56/1124025056.db2.gz HEQCFPRWJRSHKM-UHFFFAOYSA-N -1 1 344.736 2.462 10 5 EEBEMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCC2 ZINC000173381466 152162782 /nfs/dbraw/zinc/16/27/82/152162782.db2.gz XHNYBLJDAKTLEC-VHSXEESVSA-N -1 1 346.430 2.282 10 5 EEBEMM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000375723353 167178708 /nfs/dbraw/zinc/17/87/08/167178708.db2.gz DUEYZBQHAHVOIH-BMIGLBTASA-N -1 1 343.339 2.160 10 5 EEBEMM CC(F)(F)CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000296551257 294005548 /nfs/dbraw/zinc/00/55/48/294005548.db2.gz BULGLTKRPMTTNF-UHFFFAOYSA-N -1 1 326.296 2.448 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]C2CCC(C)(C)CC2)c([N+](=O)[O-])n1 ZINC000330459429 311754582 /nfs/dbraw/zinc/75/45/82/311754582.db2.gz UEONDTUBIDEBEY-UHFFFAOYSA-N -1 1 330.410 2.058 10 5 EEBEMM CCO[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000173522251 464276998 /nfs/dbraw/zinc/27/69/98/464276998.db2.gz BKBGRHBCDJLXRX-JTQLQIEISA-N -1 1 336.435 2.386 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)s1 ZINC000594475216 468599604 /nfs/dbraw/zinc/59/96/04/468599604.db2.gz SXOCAQYWWMXFDS-GWCFXTLKSA-N -1 1 346.430 2.282 10 5 EEBEMM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000600635085 468607223 /nfs/dbraw/zinc/60/72/23/468607223.db2.gz MLKZKJJOFTVREE-AWEZNQCLSA-N -1 1 328.390 2.460 10 5 EEBEMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601500357 468895887 /nfs/dbraw/zinc/89/58/87/468895887.db2.gz XKOKDEORXODDJL-NQMVMOMDSA-N -1 1 334.781 2.092 10 5 EEBEMM C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C(=O)[O-] ZINC000563125596 469177478 /nfs/dbraw/zinc/17/74/78/469177478.db2.gz QEQOPHHBCJDCJC-ZWNOBZJWSA-N -1 1 346.343 2.187 10 5 EEBEMM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000599316253 469207547 /nfs/dbraw/zinc/20/75/47/469207547.db2.gz DOPDKWCKBSIAIG-UHFFFAOYSA-N -1 1 345.764 2.332 10 5 EEBEMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(Cl)cncc2Cl)n1 ZINC001126990669 1189578836 /nfs/dbraw/zinc/57/88/36/1189578836.db2.gz QWTASHKPLYJVMT-UHFFFAOYSA-N -1 1 330.131 2.187 10 5 EEBEMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000867608622 1201642529 /nfs/dbraw/zinc/64/25/29/1201642529.db2.gz BBWDEKROGHGDDO-MRTMQBJTSA-N -1 1 334.781 2.092 10 5 EEBEMM COc1cnc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[n-]c1=O ZINC001472022464 1110538459 /nfs/dbraw/zinc/53/84/59/1110538459.db2.gz XGRNURAARKDPKM-UHFFFAOYSA-N -1 1 346.343 2.073 10 5 EEBEMM Cc1ccc([O-])c(NC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)n1 ZINC001568295842 1124410074 /nfs/dbraw/zinc/41/00/74/1124410074.db2.gz GAPVDPRGNMDZLX-UHFFFAOYSA-N -1 1 345.311 2.417 10 5 EEBEMM Cc1cccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000056120440 214359570 /nfs/dbraw/zinc/35/95/70/214359570.db2.gz JKHLZSMESCUWHS-UHFFFAOYSA-N -1 1 341.776 2.430 10 5 EEBEMM COc1cc2c(cc1F)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000445130358 315346414 /nfs/dbraw/zinc/34/64/14/315346414.db2.gz DVBHMXRMJNGSFD-UHFFFAOYSA-N -1 1 347.302 2.042 10 5 EEBEMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(C)(C)O1 ZINC000183310582 464849315 /nfs/dbraw/zinc/84/93/15/464849315.db2.gz IZJYBNFZWMASAL-MRVPVSSYSA-N -1 1 334.419 2.281 10 5 EEBEMM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000594853534 468707044 /nfs/dbraw/zinc/70/70/44/468707044.db2.gz ZMFBHMCRNONWST-UWVGGRQHSA-N -1 1 348.808 2.484 10 5 EEBEMM CC(C)c1nc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)no1 ZINC000187145195 528309141 /nfs/dbraw/zinc/30/91/41/528309141.db2.gz ICZXIMZFHLXGHK-JTQLQIEISA-N -1 1 347.331 2.179 10 5 EEBEMM CCc1nnc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 ZINC001293927492 1198358196 /nfs/dbraw/zinc/35/81/96/1198358196.db2.gz AKSJAXXAMNIDIH-UHFFFAOYSA-N -1 1 336.329 2.048 10 5 EEBEMM CS[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000867674775 1201655952 /nfs/dbraw/zinc/65/59/52/1201655952.db2.gz CBLKAPPEBFYWPO-ZKCHVHJHSA-N -1 1 336.822 2.421 10 5 EEBEMM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCCO1 ZINC000867684868 1201658948 /nfs/dbraw/zinc/65/89/48/1201658948.db2.gz VVXZOFVUAJBACV-VIFPVBQESA-N -1 1 334.419 2.282 10 5 EEBEMM O=C(NCCc1nsc2ccccc12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001559020229 1342495415 /nfs/dbraw/zinc/49/54/15/1342495415.db2.gz UOKIOPIYESONPX-UHFFFAOYSA-N -1 1 344.352 2.278 10 5 EEBEMM O=C(NCc1cnccc1C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001184041419 801857637 /nfs/dbraw/zinc/85/76/37/801857637.db2.gz MZUUBPOLYPGVGR-UHFFFAOYSA-N -1 1 342.233 2.039 10 5 EEBEMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1ccccc1 ZINC000808339579 812605675 /nfs/dbraw/zinc/60/56/75/812605675.db2.gz UUWMOJIJKCPCGI-ZANVPECISA-N -1 1 342.398 2.057 10 5 EEBEMM COC(=O)c1cc([N-]C(=O)c2c(F)cncc2F)cc([N+](=O)[O-])c1 ZINC001465394794 1110416583 /nfs/dbraw/zinc/41/65/83/1110416583.db2.gz ATSLXIWBFBJKLB-UHFFFAOYSA-N -1 1 337.238 2.307 10 5 EEBEMM CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCOCC1 ZINC000342302653 161054539 /nfs/dbraw/zinc/05/45/39/161054539.db2.gz MJOHMEGJIMGPPN-UHFFFAOYSA-N -1 1 334.419 2.141 10 5 EEBEMM O=C(NCCCNc1ccccc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000346094273 161356660 /nfs/dbraw/zinc/35/66/60/161356660.db2.gz XFCIWITYHRMDRE-UHFFFAOYSA-N -1 1 334.307 2.067 10 5 EEBEMM COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000355713257 163278547 /nfs/dbraw/zinc/27/85/47/163278547.db2.gz KTFOYVDZCVCLEF-SECBINFHSA-N -1 1 346.386 2.305 10 5 EEBEMM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO[C@H]1C1CC1 ZINC000368770421 166124042 /nfs/dbraw/zinc/12/40/42/166124042.db2.gz OZMSRESSTFHKKW-STQMWFEESA-N -1 1 346.430 2.140 10 5 EEBEMM CN(C)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000507175569 316374556 /nfs/dbraw/zinc/37/45/56/316374556.db2.gz WJDAACKSDUFOAS-MRXNPFEDSA-N -1 1 347.346 2.472 10 5 EEBEMM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000046756085 462702322 /nfs/dbraw/zinc/70/23/22/462702322.db2.gz YIGQQDBFUOSCKW-UHFFFAOYSA-N -1 1 342.340 2.464 10 5 EEBEMM Cc1cc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)ccc1[N+](=O)[O-] ZINC000119681083 462922313 /nfs/dbraw/zinc/92/23/13/462922313.db2.gz DNEUGFYCRIGPGR-UHFFFAOYSA-N -1 1 326.316 2.279 10 5 EEBEMM CN(C)Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1F ZINC000182019988 464552883 /nfs/dbraw/zinc/55/28/83/464552883.db2.gz SKKVDBSFAVAYFE-UHFFFAOYSA-N -1 1 347.346 2.431 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)s1 ZINC000340092456 465761180 /nfs/dbraw/zinc/76/11/80/465761180.db2.gz WYGBXJHSGPWNOY-ZDUSSCGKSA-N -1 1 339.398 2.481 10 5 EEBEMM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000357423274 466024516 /nfs/dbraw/zinc/02/45/16/466024516.db2.gz VCOXXIMEQLIXBP-VHSXEESVSA-N -1 1 334.419 2.138 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000365193082 466740658 /nfs/dbraw/zinc/74/06/58/466740658.db2.gz HAXKEIXXYNWEJD-ZDUSSCGKSA-N -1 1 347.302 2.128 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2ccccn2)C1 ZINC000590403166 468246807 /nfs/dbraw/zinc/24/68/07/468246807.db2.gz YTQCQDNSNNTLBE-LLVKDONJSA-N -1 1 328.328 2.110 10 5 EEBEMM O=C(N[C@H](c1ccccn1)C1CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600302772 468526221 /nfs/dbraw/zinc/52/62/21/468526221.db2.gz SXMZHMVSCJVTAA-AWEZNQCLSA-N -1 1 328.328 2.362 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)c([N+](=O)[O-])s1 ZINC000601466235 468886998 /nfs/dbraw/zinc/88/69/98/468886998.db2.gz XZUCARCAWMUCGN-VIFPVBQESA-N -1 1 326.346 2.288 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)nc1 ZINC000593598685 469051754 /nfs/dbraw/zinc/05/17/54/469051754.db2.gz QAPMIJIHMCSRTN-JTQLQIEISA-N -1 1 349.359 2.484 10 5 EEBEMM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000121083495 1201533959 /nfs/dbraw/zinc/53/39/59/1201533959.db2.gz FDCBBVRUFHIGCW-CQSZACIVSA-N -1 1 348.396 2.199 10 5 EEBEMM COc1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1[N+](=O)[O-] ZINC001597260323 1349920687 /nfs/dbraw/zinc/92/06/87/1349920687.db2.gz GLVPPGBBOFZDLZ-UHFFFAOYSA-N -1 1 330.300 2.229 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)Cc2cccc([N+](=O)[O-])c2)[n-]1 ZINC001597689820 1349930474 /nfs/dbraw/zinc/93/04/74/1349930474.db2.gz JBMGQAUAEZCYPS-UHFFFAOYSA-N -1 1 345.311 2.093 10 5 EEBEMM O=C(Nc1cccc([O-])c1Br)c1c[nH]nc1[N+](=O)[O-] ZINC001641125717 1352718101 /nfs/dbraw/zinc/71/81/01/1352718101.db2.gz CSPQFRRZTWFETN-UHFFFAOYSA-N -1 1 327.094 2.038 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](c2ccccc2)CC1 ZINC001651267819 1354046866 /nfs/dbraw/zinc/04/68/66/1354046866.db2.gz IYECMPQWRNNOPB-OAHLLOKOSA-N -1 1 343.339 2.299 10 5 EEBEMM Cc1cnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[n-]c1=O ZINC001651999204 1354072654 /nfs/dbraw/zinc/07/26/54/1354072654.db2.gz WCUZTUACCAHUJW-UHFFFAOYSA-N -1 1 334.357 2.438 10 5 EEBEMM CCOC(=O)Cc1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC001180659638 800516505 /nfs/dbraw/zinc/51/65/05/800516505.db2.gz OALAHWMEDYEALR-UHFFFAOYSA-N -1 1 331.328 2.305 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC001525686799 1120348995 /nfs/dbraw/zinc/34/89/95/1120348995.db2.gz QLWVFMSQVGCOOQ-UHFFFAOYSA-N -1 1 338.707 2.400 10 5 EEBEMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(-c3ccncc3)s2)n1 ZINC001536390596 1123703139 /nfs/dbraw/zinc/70/31/39/1123703139.db2.gz HTCPCADFSFBTSE-UHFFFAOYSA-N -1 1 342.340 2.464 10 5 EEBEMM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1C ZINC001567976065 1124213822 /nfs/dbraw/zinc/21/38/22/1124213822.db2.gz WJJWQBHVLXOQNH-LLVKDONJSA-N -1 1 346.343 2.320 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000375198008 312434317 /nfs/dbraw/zinc/43/43/17/312434317.db2.gz SKIHVGLYGUZAKC-AWEZNQCLSA-N -1 1 335.360 2.117 10 5 EEBEMM CN(C)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccsc1 ZINC000505602065 316364564 /nfs/dbraw/zinc/36/45/64/316364564.db2.gz LCFDEOXAYDISCB-CQSZACIVSA-N -1 1 335.385 2.395 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOc2ccccc2)s1 ZINC000064244653 462690660 /nfs/dbraw/zinc/69/06/60/462690660.db2.gz KKUMYNMTQQYOKY-UHFFFAOYSA-N -1 1 342.398 2.404 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)s1 ZINC000357357944 465975809 /nfs/dbraw/zinc/97/58/09/465975809.db2.gz UZDOPFUNLXLGIH-UHFFFAOYSA-N -1 1 334.325 2.413 10 5 EEBEMM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000338373873 466070497 /nfs/dbraw/zinc/07/04/97/466070497.db2.gz IUDFVEGEJXZVHR-GFCCVEGCSA-N -1 1 347.302 2.260 10 5 EEBEMM CC(C)CCc1nnc([N-]C(=O)c2ccnc(N)c2[N+](=O)[O-])s1 ZINC000597871611 468700188 /nfs/dbraw/zinc/70/01/88/468700188.db2.gz HHMZOGHLPDVPKL-UHFFFAOYSA-N -1 1 336.377 2.264 10 5 EEBEMM Cc1ccc(CN(CC2CC2)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000592832765 468800027 /nfs/dbraw/zinc/80/00/27/468800027.db2.gz VTYFMBFESBHHHN-UHFFFAOYSA-N -1 1 342.355 2.451 10 5 EEBEMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)O1 ZINC000601500358 468895733 /nfs/dbraw/zinc/89/57/33/468895733.db2.gz XKOKDEORXODDJL-WEDXCCLWSA-N -1 1 334.781 2.092 10 5 EEBEMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccncc1 ZINC000610518363 468993048 /nfs/dbraw/zinc/99/30/48/468993048.db2.gz DXZPGJNXOOFVIQ-VIFPVBQESA-N -1 1 327.387 2.133 10 5 EEBEMM CCC(F)(F)C[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000599434301 469255379 /nfs/dbraw/zinc/25/53/79/469255379.db2.gz XWOFHZIIFBKXPG-UHFFFAOYSA-N -1 1 342.295 2.066 10 5 EEBEMM Cn1cc([C@H](O)C[C@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000770391634 577595299 /nfs/dbraw/zinc/59/52/99/577595299.db2.gz OGVOBNHDKHLCLG-RHSMWYFYSA-N -1 1 346.387 2.122 10 5 EEBEMM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1cccc[n+]1[O-] ZINC000803635074 1241092673 /nfs/dbraw/zinc/09/26/73/1241092673.db2.gz IBKIDNHPEBEVTI-UHFFFAOYSA-N -1 1 338.117 2.243 10 5 EEBEMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000854564551 1292852740 /nfs/dbraw/zinc/85/27/40/1292852740.db2.gz XFWYSTJWXDWNSB-IAQYHMDHSA-N -1 1 345.355 2.280 10 5 EEBEMM Cc1ccc([C@H](C)NC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1[N+](=O)[O-] ZINC001137045098 788656295 /nfs/dbraw/zinc/65/62/95/788656295.db2.gz VRYXDIMKULYRAZ-QMMMGPOBSA-N -1 1 348.384 2.487 10 5 EEBEMM COC(=O)c1c[n-]c(SCC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC001459035705 1110054398 /nfs/dbraw/zinc/05/43/98/1110054398.db2.gz VVCRFQJFXSGTGH-UHFFFAOYSA-N -1 1 339.304 2.219 10 5 EEBEMM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187076087 160091939 /nfs/dbraw/zinc/09/19/39/160091939.db2.gz FWHSGNPSERULFN-LBPRGKRZSA-N -1 1 345.359 2.023 10 5 EEBEMM COc1cccc(F)c1[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187138032 160093238 /nfs/dbraw/zinc/09/32/38/160093238.db2.gz KUEOPYRPQNGBFC-QMMMGPOBSA-N -1 1 335.291 2.334 10 5 EEBEMM O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cccc([O-])c1[N+](=O)[O-] ZINC000343764233 161166087 /nfs/dbraw/zinc/16/60/87/161166087.db2.gz KQDDDKXJPIMHCJ-UHFFFAOYSA-N -1 1 344.302 2.288 10 5 EEBEMM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000343945604 161183117 /nfs/dbraw/zinc/18/31/17/161183117.db2.gz WHBXYYVJXYRMAO-UWVGGRQHSA-N -1 1 334.419 2.140 10 5 EEBEMM C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445209349 315351776 /nfs/dbraw/zinc/35/17/76/315351776.db2.gz GKEUUKOACCMVFZ-CBAPKCEASA-N -1 1 333.266 2.498 10 5 EEBEMM O=C(NCCc1cccc2[nH]ccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000337653671 465497007 /nfs/dbraw/zinc/49/70/07/465497007.db2.gz LTJKBJPQSHAMLZ-UHFFFAOYSA-N -1 1 326.312 2.149 10 5 EEBEMM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c(C)s1 ZINC000599212735 469165493 /nfs/dbraw/zinc/16/54/93/469165493.db2.gz DWOVDNUAGHBBKH-MRVPVSSYSA-N -1 1 344.418 2.046 10 5 EEBEMM CC(C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000867684502 1201658897 /nfs/dbraw/zinc/65/88/97/1201658897.db2.gz POJUFJRRAOESLY-GFCCVEGCSA-N -1 1 346.380 2.360 10 5 EEBEMM O=C(NC[C@]1(c2ccccc2)CCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001645138441 1352772650 /nfs/dbraw/zinc/77/26/50/1352772650.db2.gz HTOQRGZFHLTRIO-KRWDZBQOSA-N -1 1 343.339 2.131 10 5 EEBEMM O=C(NC[C@@]1(c2ccccc2)CCCO1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001654832636 1354159012 /nfs/dbraw/zinc/15/90/12/1354159012.db2.gz YQNVUHUNMAQMTN-QGZVFWFLSA-N -1 1 343.339 2.131 10 5 EEBEMM Cc1cc2c(cc1[N+](=O)[O-])N(Cc1nc3c(c(=O)[n-]1)COCC3)CC2 ZINC001658057330 1354353168 /nfs/dbraw/zinc/35/31/68/1354353168.db2.gz IBKYNBXGPBFYIS-UHFFFAOYSA-N -1 1 342.355 2.034 10 5 EEBEMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)cc1Cl ZINC000809839727 783403821 /nfs/dbraw/zinc/40/38/21/783403821.db2.gz LYFFZZWVOLZMPV-NAZOXTDDSA-N -1 1 334.756 2.464 10 5 EEBEMM Cn1cc(-c2nsc([N-]C(=O)c3cc(F)cc([N+](=O)[O-])c3)n2)cn1 ZINC001463285809 1110370987 /nfs/dbraw/zinc/37/09/87/1110370987.db2.gz FLFBGDAJWLKTJR-UHFFFAOYSA-N -1 1 348.319 2.238 10 5 EEBEMM O=C(N[C@@H]1CCOc2c(F)cccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001544687754 1124164066 /nfs/dbraw/zinc/16/40/66/1124164066.db2.gz PCANIVANCOCNKK-LLVKDONJSA-N -1 1 333.275 2.088 10 5 EEBEMM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000173975507 464343115 /nfs/dbraw/zinc/34/31/15/464343115.db2.gz WNKNSILGFQWNEW-NSHDSACASA-N -1 1 342.398 2.322 10 5 EEBEMM Cc1cc(C(=O)NCCn2c(C3CC3)n[n-]c2=S)ccc1[N+](=O)[O-] ZINC000072292905 463502586 /nfs/dbraw/zinc/50/25/86/463502586.db2.gz PVEPVXUXVVGEGW-UHFFFAOYSA-N -1 1 347.400 2.465 10 5 EEBEMM C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000194244484 463820932 /nfs/dbraw/zinc/82/09/32/463820932.db2.gz UDFAWGNHBLPWLK-JTQLQIEISA-N -1 1 338.323 2.322 10 5 EEBEMM CN1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1c1ccccc1 ZINC000245784126 464514308 /nfs/dbraw/zinc/51/43/08/464514308.db2.gz ZHTCPKZLBLFADU-DOTOQJQBSA-N -1 1 341.367 2.476 10 5 EEBEMM COc1cc2c(cc1F)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000348085428 465413930 /nfs/dbraw/zinc/41/39/30/465413930.db2.gz OLZAKEFATPBXHI-UHFFFAOYSA-N -1 1 347.302 2.042 10 5 EEBEMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001134127745 1199323779 /nfs/dbraw/zinc/32/37/79/1199323779.db2.gz AWNNNKKVIFYKSL-DTWKUNHWSA-N -1 1 341.249 2.474 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2([C@H]3CCCCO3)CCC2)s1 ZINC000867878571 1201697964 /nfs/dbraw/zinc/69/79/64/1201697964.db2.gz FNKXMOYSBXLFGX-SNVBAGLBSA-N -1 1 346.430 2.426 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC000800930239 1234828931 /nfs/dbraw/zinc/82/89/31/1234828931.db2.gz HYHLVXOLWDMBSD-UHFFFAOYSA-N -1 1 342.764 2.192 10 5 EEBEMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2n[nH]c(-c3cccs3)n2)n1 ZINC001609918038 1352119832 /nfs/dbraw/zinc/11/98/32/1352119832.db2.gz MRFPWDRQKSJTKM-UHFFFAOYSA-N -1 1 330.329 2.397 10 5 EEBEMM CCC1(CC)[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@H](C)[C@H]1OC ZINC001457734146 1109748657 /nfs/dbraw/zinc/74/86/57/1109748657.db2.gz HSHDQRPDHFKJTE-ZWKOPEQDSA-N -1 1 337.376 2.265 10 5 EEBEMM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000121095400 292261324 /nfs/dbraw/zinc/26/13/24/292261324.db2.gz JLSGAWARUMFINJ-GFCCVEGCSA-N -1 1 336.435 2.122 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)CC2CCCCC2)s1 ZINC000416658061 313288388 /nfs/dbraw/zinc/28/83/88/313288388.db2.gz JZUZNKIPFXKISM-NSHDSACASA-N -1 1 348.446 2.266 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)s1 ZINC000420711316 467459047 /nfs/dbraw/zinc/45/90/47/467459047.db2.gz XYRWLTXQSJFWQS-SECBINFHSA-N -1 1 348.471 2.468 10 5 EEBEMM C[C@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1(F)F ZINC000594856599 468707853 /nfs/dbraw/zinc/70/78/53/468707853.db2.gz ISKYSICONAIAGR-NSHDSACASA-N -1 1 338.307 2.448 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2CC1(c1ccccc1)C2 ZINC000598554179 468911055 /nfs/dbraw/zinc/91/10/55/468911055.db2.gz HFJSXZARHVQJHR-UHFFFAOYSA-N -1 1 325.324 2.457 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC(F)(F)C2)nc1 ZINC000593591690 469049645 /nfs/dbraw/zinc/04/96/45/469049645.db2.gz LDRMRVQJIJQEDQ-VIFPVBQESA-N -1 1 335.332 2.094 10 5 EEBEMM C[C@@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C(=O)[O-] ZINC000563125593 469177503 /nfs/dbraw/zinc/17/75/03/469177503.db2.gz QEQOPHHBCJDCJC-MFKMUULPSA-N -1 1 346.343 2.187 10 5 EEBEMM Cc1cc(C(=O)NCC(=O)Nc2c([O-])cccc2F)ccc1[N+](=O)[O-] ZINC000611855453 469335086 /nfs/dbraw/zinc/33/50/86/469335086.db2.gz ZHROWWRWDQLYHF-UHFFFAOYSA-N -1 1 347.302 2.116 10 5 EEBEMM COc1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1[N+](=O)[O-] ZINC000610032167 469975636 /nfs/dbraw/zinc/97/56/36/469975636.db2.gz FFQQNOZJSISZNW-UHFFFAOYSA-N -1 1 348.340 2.052 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)O2)cc1F ZINC000867516521 1201626274 /nfs/dbraw/zinc/62/62/74/1201626274.db2.gz GPJUILQMVZRQCF-QWRGUYRKSA-N -1 1 346.380 2.278 10 5 EEBEMM COC(=O)c1nc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])cs1 ZINC001264211961 1322667465 /nfs/dbraw/zinc/66/74/65/1322667465.db2.gz LFNYNPHMEMMICP-UHFFFAOYSA-N -1 1 337.313 2.099 10 5 EEBEMM O=C(NCc1cc([N+](=O)[O-])c(F)cc1F)C(=O)c1ccc([O-])cc1 ZINC001639087925 1352694313 /nfs/dbraw/zinc/69/43/13/1352694313.db2.gz NHIAVLKOYXTWQT-UHFFFAOYSA-N -1 1 336.250 2.078 10 5 EEBEMM O=C(NC[C@]1(c2ccccc2)CCCO1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001654832635 1354158847 /nfs/dbraw/zinc/15/88/47/1354158847.db2.gz YQNVUHUNMAQMTN-KRWDZBQOSA-N -1 1 343.339 2.131 10 5 EEBEMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1 ZINC000052943138 214156237 /nfs/dbraw/zinc/15/62/37/214156237.db2.gz MWKZMIKOHMFMCK-UHFFFAOYSA-N -1 1 347.805 2.492 10 5 EEBEMM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000451814059 243276176 /nfs/dbraw/zinc/27/61/76/243276176.db2.gz FTWJCRDPMXIZPZ-GHMZBOCLSA-N -1 1 348.446 2.386 10 5 EEBEMM COc1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000186794205 160083316 /nfs/dbraw/zinc/08/33/16/160083316.db2.gz HXYQYXUVPJDJGL-QMMMGPOBSA-N -1 1 335.291 2.334 10 5 EEBEMM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277805688 269185472 /nfs/dbraw/zinc/18/54/72/269185472.db2.gz WWCRQCAIKYCLNZ-GFCCVEGCSA-N -1 1 329.312 2.176 10 5 EEBEMM CN1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H]1c1ccccc1 ZINC000179222526 290213564 /nfs/dbraw/zinc/21/35/64/290213564.db2.gz PDRBHKUWWCVFBX-HOCLYGCPSA-N -1 1 341.367 2.476 10 5 EEBEMM O=C(NCCc1cc(F)c(F)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445161544 315349015 /nfs/dbraw/zinc/34/90/15/315349015.db2.gz PLFOZUSIHRUORU-UHFFFAOYSA-N -1 1 341.245 2.085 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1O ZINC000121300109 463112810 /nfs/dbraw/zinc/11/28/10/463112810.db2.gz GSPCHYHKOXKGKI-BXKDBHETSA-N -1 1 348.808 2.078 10 5 EEBEMM Cc1nc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])sc1C ZINC000435213471 467451614 /nfs/dbraw/zinc/45/16/14/467451614.db2.gz NYGFQKUSFUCILJ-UHFFFAOYSA-N -1 1 327.387 2.147 10 5 EEBEMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C(C)(F)F ZINC000594578361 468625711 /nfs/dbraw/zinc/62/57/11/468625711.db2.gz AQSUKAHCFAEHJH-UHFFFAOYSA-N -1 1 338.332 2.316 10 5 EEBEMM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594800907 468690998 /nfs/dbraw/zinc/69/09/98/468690998.db2.gz JNDFZVZZMGAFJV-JTQLQIEISA-N -1 1 334.419 2.140 10 5 EEBEMM Cc1nc(C)c(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000599316595 469208501 /nfs/dbraw/zinc/20/85/01/469208501.db2.gz JRWCKXFAWYYXKE-UHFFFAOYSA-N -1 1 339.373 2.295 10 5 EEBEMM CC1(C(=O)C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000599472176 469268185 /nfs/dbraw/zinc/26/81/85/469268185.db2.gz BRZJLDMCMTVPPC-UHFFFAOYSA-N -1 1 340.401 2.164 10 5 EEBEMM O=C(NCc1c(F)cc(F)cc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001649026045 1190957404 /nfs/dbraw/zinc/95/74/04/1190957404.db2.gz LWFFDGQGXXYPGA-UHFFFAOYSA-N -1 1 327.218 2.043 10 5 EEBEMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001134127744 1199323976 /nfs/dbraw/zinc/32/39/76/1199323976.db2.gz AWNNNKKVIFYKSL-BDAKNGLRSA-N -1 1 341.249 2.474 10 5 EEBEMM O=C(Nc1nc2c(c(=O)[n-]1)CCCC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC001275595834 1205437077 /nfs/dbraw/zinc/43/70/77/1205437077.db2.gz HZPKPKUKOXFMKS-UHFFFAOYSA-N -1 1 332.291 2.361 10 5 EEBEMM COC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000119699283 1229583341 /nfs/dbraw/zinc/58/33/41/1229583341.db2.gz WGZWEDPYUXVFKH-LBPRGKRZSA-N -1 1 342.398 2.322 10 5 EEBEMM Cc1csc([C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)n1 ZINC001644139898 1352757885 /nfs/dbraw/zinc/75/78/85/1352757885.db2.gz HLXFHZVMMBOGNK-VIFPVBQESA-N -1 1 334.357 2.090 10 5 EEBEMM CC(C)c1ccc(C(=O)NC2(c3nn[n-]n3)CCC2)cc1[N+](=O)[O-] ZINC001644748656 1352768310 /nfs/dbraw/zinc/76/83/10/1352768310.db2.gz SRPLXMWWPINLML-UHFFFAOYSA-N -1 1 330.348 2.041 10 5 EEBEMM C[C@@]1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCOC2(CCC2)C1 ZINC001455914891 1108996169 /nfs/dbraw/zinc/99/61/69/1108996169.db2.gz IGCHTXWMDFZAAV-OAHLLOKOSA-N -1 1 335.360 2.165 10 5 EEBEMM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000040414169 213299667 /nfs/dbraw/zinc/29/96/67/213299667.db2.gz ARGDJQHLKBOVFE-UHFFFAOYSA-N -1 1 330.753 2.389 10 5 EEBEMM COc1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OC)c1 ZINC000600366085 468541479 /nfs/dbraw/zinc/54/14/79/468541479.db2.gz NUBVLQDZUSRVNL-VIFPVBQESA-N -1 1 347.327 2.204 10 5 EEBEMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC2(CCCCC2)O1 ZINC000594427887 468582451 /nfs/dbraw/zinc/58/24/51/468582451.db2.gz WMCJNKCGGRYVAF-LLVKDONJSA-N -1 1 335.360 2.259 10 5 EEBEMM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CN2CCC1CC2 ZINC000570046831 468583577 /nfs/dbraw/zinc/58/35/77/468583577.db2.gz NWWYTBONXDFFDU-CYBMUJFWSA-N -1 1 339.779 2.120 10 5 EEBEMM COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(OC)c1 ZINC000600835189 468668104 /nfs/dbraw/zinc/66/81/04/468668104.db2.gz DPNITZRJMIBXDJ-VIFPVBQESA-N -1 1 347.327 2.204 10 5 EEBEMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000610032636 469976492 /nfs/dbraw/zinc/97/64/92/469976492.db2.gz PQAPAONUBVDROH-UHFFFAOYSA-N -1 1 332.341 2.352 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)cc1F ZINC000867552126 1201632567 /nfs/dbraw/zinc/63/25/67/1201632567.db2.gz DXGBDFYSQPCEJE-NSHDSACASA-N -1 1 346.380 2.137 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@@H]2CCOC2)s1 ZINC000867736771 1201669867 /nfs/dbraw/zinc/66/98/67/1201669867.db2.gz ONXCVLYPEYTHCA-MFKMUULPSA-N -1 1 346.430 2.140 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCOC2)s1 ZINC000867736669 1201669980 /nfs/dbraw/zinc/66/99/80/1201669980.db2.gz ONXCVLYPEYTHCA-GWCFXTLKSA-N -1 1 346.430 2.140 10 5 EEBEMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@]12CCC[C@H]1OCC2 ZINC000867886556 1201700073 /nfs/dbraw/zinc/70/00/73/1201700073.db2.gz CMQGBBVAKOCLRJ-OLZOCXBDSA-N -1 1 346.792 2.238 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](CO)C1 ZINC000841572676 1315581410 /nfs/dbraw/zinc/58/14/10/1315581410.db2.gz LVEMWTFGZUEKTO-GXSJLCMTSA-N -1 1 348.808 2.078 10 5 EEBEMM CSc1nc(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])cc(=O)[n-]1 ZINC001163577457 1321161536 /nfs/dbraw/zinc/16/15/36/1321161536.db2.gz JYAPGYFBDCSBIQ-UHFFFAOYSA-N -1 1 334.357 2.051 10 5 EEBEMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001625019648 1352437884 /nfs/dbraw/zinc/43/78/84/1352437884.db2.gz MKNDPMQSVXLAJG-UHFFFAOYSA-N -1 1 326.312 2.171 10 5 EEBEMM C[C@@H](OC(=O)c1cc(=O)[n-]c(N(C)C)n1)c1ccccc1[N+](=O)[O-] ZINC000786493887 806799127 /nfs/dbraw/zinc/79/91/27/806799127.db2.gz NYDZMUQZOKHBRC-SECBINFHSA-N -1 1 332.316 2.074 10 5 EEBEMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(C3CCOCC3)s2)n1 ZINC001129320110 800583307 /nfs/dbraw/zinc/58/33/07/800583307.db2.gz FBMZJEJTCFGTQS-UHFFFAOYSA-N -1 1 349.372 2.296 10 5 EEBEMM CNc1nccc(C(=O)NCc2ccc([O-])c(Cl)c2)c1[N+](=O)[O-] ZINC001455449906 1108585535 /nfs/dbraw/zinc/58/55/35/1108585535.db2.gz LOUNELCGGMAANC-UHFFFAOYSA-N -1 1 336.735 2.321 10 5 EEBEMM Cc1nn(-c2cccnc2)nc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC001524171848 1119996249 /nfs/dbraw/zinc/99/62/49/1119996249.db2.gz FEKDXRDWBSVJSZ-UHFFFAOYSA-N -1 1 342.290 2.270 10 5 EEBEMM C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000052288879 214124768 /nfs/dbraw/zinc/12/47/68/214124768.db2.gz BPAPYLCYHCFEPG-XPUUQOCRSA-N -1 1 335.179 2.044 10 5 EEBEMM CCCc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000451957728 243324424 /nfs/dbraw/zinc/32/44/24/243324424.db2.gz JXBHHDDSSVPXLU-UHFFFAOYSA-N -1 1 343.336 2.153 10 5 EEBEMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1 ZINC000072991958 159048591 /nfs/dbraw/zinc/04/85/91/159048591.db2.gz MYQNGWIKXRDXHO-JTQLQIEISA-N -1 1 342.398 2.402 10 5 EEBEMM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000295169854 293635252 /nfs/dbraw/zinc/63/52/52/293635252.db2.gz AJGYXSQFNOKTPI-SNVBAGLBSA-N -1 1 334.781 2.094 10 5 EEBEMM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000416501084 313239192 /nfs/dbraw/zinc/23/91/92/313239192.db2.gz GKORAPFWSOXRLL-VIFPVBQESA-N -1 1 334.419 2.140 10 5 EEBEMM CCc1noc(CC)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000088780489 462647024 /nfs/dbraw/zinc/64/70/24/462647024.db2.gz YCSOLMDKLYBWBV-UHFFFAOYSA-N -1 1 345.402 2.248 10 5 EEBEMM CCOCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000156819003 463071749 /nfs/dbraw/zinc/07/17/49/463071749.db2.gz OBPCUBIBQCJINE-UHFFFAOYSA-N -1 1 334.419 2.141 10 5 EEBEMM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000420735401 467468028 /nfs/dbraw/zinc/46/80/28/467468028.db2.gz WUVKNRULEGGQRR-NXEZZACHSA-N -1 1 348.808 2.484 10 5 EEBEMM O=C(N[C@@H](c1ccccn1)C1CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600302773 468526263 /nfs/dbraw/zinc/52/62/63/468526263.db2.gz SXMZHMVSCJVTAA-CQSZACIVSA-N -1 1 328.328 2.362 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H](O)c2ccccc2)s1 ZINC000123194708 684790006 /nfs/dbraw/zinc/79/00/06/684790006.db2.gz AJDDIFXDNCRHOD-LLVKDONJSA-N -1 1 342.398 2.058 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@H]1CCSC1 ZINC000867575161 1201636344 /nfs/dbraw/zinc/63/63/44/1201636344.db2.gz DMQVDGWFIOOVJI-VIFPVBQESA-N -1 1 334.394 2.155 10 5 EEBEMM O=C([N-]Cc1noc(C2CC2)n1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778406759 1208237980 /nfs/dbraw/zinc/23/79/80/1208237980.db2.gz IUOYXVHCDXHFHF-UHFFFAOYSA-N -1 1 338.270 2.263 10 5 EEBEMM O=C1CC[C@@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CN1CC1CCC1 ZINC000856557701 1293566166 /nfs/dbraw/zinc/56/61/66/1293566166.db2.gz VEPKEMOPELFCOA-LLVKDONJSA-N -1 1 345.359 2.479 10 5 EEBEMM COc1ccc([N-]C(=O)c2nnc3ccccc3n2)c([N+](=O)[O-])c1 ZINC001264211752 1322667300 /nfs/dbraw/zinc/66/73/00/1322667300.db2.gz AJVPBTSLIAGVLO-UHFFFAOYSA-N -1 1 325.284 2.194 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[n-]1 ZINC001288774898 1327927676 /nfs/dbraw/zinc/92/76/76/1327927676.db2.gz RKGCGHKAPWYXJY-UHFFFAOYSA-N -1 1 345.311 2.473 10 5 EEBEMM COC(=O)c1cc([N-]C(=O)c2cc(OC)ns2)cc([N+](=O)[O-])c1 ZINC001628687702 1352540800 /nfs/dbraw/zinc/54/08/00/1352540800.db2.gz WHWZIDYVAXYVMS-UHFFFAOYSA-N -1 1 337.313 2.099 10 5 EEBEMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001631424574 1352582956 /nfs/dbraw/zinc/58/29/56/1352582956.db2.gz RXOMRDADSDBDQC-UHFFFAOYSA-N -1 1 344.323 2.360 10 5 EEBEMM CC(=O)CCCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC001663923247 1355054081 /nfs/dbraw/zinc/05/40/81/1355054081.db2.gz BTOITCQOBLJDFH-UHFFFAOYSA-N -1 1 332.353 2.162 10 5 EEBEMM C[Si](C)(C)c1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001449476189 1104533800 /nfs/dbraw/zinc/53/38/00/1104533800.db2.gz WVIJXJCSYWVNSQ-UHFFFAOYSA-N -1 1 345.431 2.171 10 5 EEBEMM COc1ccc([N+](=O)[O-])c(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1 ZINC001528617208 1121094054 /nfs/dbraw/zinc/09/40/54/1121094054.db2.gz KZBJQNAZDXZTIJ-UHFFFAOYSA-N -1 1 344.327 2.230 10 5 EEBEMM CN1CC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000367701553 283055405 /nfs/dbraw/zinc/05/54/05/283055405.db2.gz ZKHJQLDSLRIMEW-WBVHZDCISA-N -1 1 341.367 2.476 10 5 EEBEMM CCCc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000451957185 243324157 /nfs/dbraw/zinc/32/41/57/243324157.db2.gz IUQRKYPXFILURK-UHFFFAOYSA-N -1 1 331.375 2.075 10 5 EEBEMM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442821854 315213411 /nfs/dbraw/zinc/21/34/11/315213411.db2.gz NQLNXJGDVURTQS-UHFFFAOYSA-N -1 1 346.221 2.185 10 5 EEBEMM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ncccc1[O-] ZINC000565924007 319226671 /nfs/dbraw/zinc/22/66/71/319226671.db2.gz QGTHJGQWHVOOIK-UHFFFAOYSA-N -1 1 326.312 2.149 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@](F)(c2ccccc2)C1 ZINC000374780232 466741198 /nfs/dbraw/zinc/74/11/98/466741198.db2.gz NWFHFURSDOMBPB-INIZCTEOSA-N -1 1 331.303 2.406 10 5 EEBEMM Cn1cc([C@@H](O)C[C@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000770391632 577595252 /nfs/dbraw/zinc/59/52/52/577595252.db2.gz OGVOBNHDKHLCLG-PBHICJAKSA-N -1 1 346.387 2.122 10 5 EEBEMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000755361833 577824222 /nfs/dbraw/zinc/82/42/22/577824222.db2.gz JQMHJHRTZBZQMM-ZHACJKMWSA-N -1 1 342.359 2.097 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H](O)c2ccccc2)s1 ZINC000123194925 684790086 /nfs/dbraw/zinc/79/00/86/684790086.db2.gz AJDDIFXDNCRHOD-NSHDSACASA-N -1 1 342.398 2.058 10 5 EEBEMM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCO1 ZINC000867422124 1289877596 /nfs/dbraw/zinc/87/75/96/1289877596.db2.gz URCMCNMUKYEXIN-WDEREUQCSA-N -1 1 346.380 2.278 10 5 EEBEMM COC(=O)[C@@](C)(CCF)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000855910688 1293364211 /nfs/dbraw/zinc/36/42/11/1293364211.db2.gz PVOLSARGSINHJF-CYBMUJFWSA-N -1 1 348.277 2.094 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccc([N+](=O)[O-])s2)[n-]1 ZINC001288774587 1327927773 /nfs/dbraw/zinc/92/77/73/1327927773.db2.gz JPTPVWWCUPJJEC-UHFFFAOYSA-N -1 1 337.313 2.226 10 5 EEBEMM Cc1ncc(CSCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC001615023754 1352322837 /nfs/dbraw/zinc/32/28/37/1352322837.db2.gz WDTBWTFREZPQSZ-UHFFFAOYSA-N -1 1 335.341 2.081 10 5 EEBEMM CC1(C)CCC[C@@](O)(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001454690711 1107510141 /nfs/dbraw/zinc/51/01/41/1107510141.db2.gz UFROGNUQALNROH-INIZCTEOSA-N -1 1 337.376 2.147 10 5 EEBEMM CC1(c2nsc([N-]C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)n2)CC1 ZINC001470294203 1110504271 /nfs/dbraw/zinc/50/42/71/1110504271.db2.gz SYBMEWDFRHUHEJ-UHFFFAOYSA-N -1 1 328.741 2.127 10 5 EEBEMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001525143116 1120273838 /nfs/dbraw/zinc/27/38/38/1120273838.db2.gz WFIDXSCRLWTGPT-UHFFFAOYSA-N -1 1 328.328 2.150 10 5 EEBEMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2csc(-c3ccccn3)n2)n1 ZINC000342643961 161080263 /nfs/dbraw/zinc/08/02/63/161080263.db2.gz DIEIDCOMHDZKKN-UHFFFAOYSA-N -1 1 330.329 2.099 10 5 EEBEMM COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000355713258 163278490 /nfs/dbraw/zinc/27/84/90/163278490.db2.gz KTFOYVDZCVCLEF-VIFPVBQESA-N -1 1 346.386 2.305 10 5 EEBEMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000439144232 467566349 /nfs/dbraw/zinc/56/63/49/467566349.db2.gz WXAHRABWPNJKKM-HFBDOXOYSA-N -1 1 343.339 2.378 10 5 EEBEMM O=C(Nc1cnn(-c2ccncc2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000613928118 469817468 /nfs/dbraw/zinc/81/74/68/469817468.db2.gz VZEBLQSTNWLILT-UHFFFAOYSA-N -1 1 325.284 2.133 10 5 EEBEMM Cc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000725988408 576173186 /nfs/dbraw/zinc/17/31/86/576173186.db2.gz TVKGGXJTQNPWAQ-UHFFFAOYSA-N -1 1 342.307 2.017 10 5 EEBEMM CCC[C@@H](NC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000752528201 577772194 /nfs/dbraw/zinc/77/21/94/577772194.db2.gz KRTUQXROUHDQPG-ASCRHOAZSA-N -1 1 330.348 2.169 10 5 EEBEMM COc1cnc([C@H]2CCCN2c2ncc(C)cc2[N+](=O)[O-])[n-]c1=O ZINC001164304034 1321344697 /nfs/dbraw/zinc/34/46/97/1321344697.db2.gz ZFWOAVOPCQYDCR-SNVBAGLBSA-N -1 1 331.332 2.144 10 5 EEBEMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cc2cnccc2o1 ZINC001559027106 1342495857 /nfs/dbraw/zinc/49/58/57/1342495857.db2.gz LQWFNXNLIOWVPC-MRVPVSSYSA-N -1 1 328.284 2.328 10 5 EEBEMM Cc1csc([C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)n1 ZINC001644139897 1352758310 /nfs/dbraw/zinc/75/83/10/1352758310.db2.gz HLXFHZVMMBOGNK-SECBINFHSA-N -1 1 334.357 2.090 10 5 EEBEMM Cc1[nH]nc(C(=O)Nc2cccc([O-])c2Br)c1[N+](=O)[O-] ZINC001468252059 1110471220 /nfs/dbraw/zinc/47/12/20/1110471220.db2.gz JFWZSDBHNBUAMC-UHFFFAOYSA-N -1 1 341.121 2.347 10 5 EEBEMM O=C(NCCc1c[nH]c2ccc(F)cc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361284691 153490572 /nfs/dbraw/zinc/49/05/72/153490572.db2.gz CCLGEQXOWAFHLS-UHFFFAOYSA-N -1 1 344.302 2.288 10 5 EEBEMM CCc1nc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000107704374 159335106 /nfs/dbraw/zinc/33/51/06/159335106.db2.gz SXGJMEFDZGPNKT-UHFFFAOYSA-N -1 1 327.387 2.092 10 5 EEBEMM COc1nn(C)cc1[N-]c1ncc([N+](=O)[O-])cc1Br ZINC000352601617 162207922 /nfs/dbraw/zinc/20/79/22/162207922.db2.gz IHJKWXYMMNEXQC-UHFFFAOYSA-N -1 1 328.126 2.238 10 5 EEBEMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000595419409 468846384 /nfs/dbraw/zinc/84/63/84/468846384.db2.gz ZVQDNPDRGJHCPY-UHFFFAOYSA-N -1 1 341.311 2.247 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c(F)cc1[N+](=O)[O-] ZINC000601471686 468889181 /nfs/dbraw/zinc/88/91/81/468889181.db2.gz GMATXVXNIOFWGT-QMMMGPOBSA-N -1 1 338.307 2.366 10 5 EEBEMM CC1(C)C[C@H](SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)CO1 ZINC000863355913 1296242372 /nfs/dbraw/zinc/24/23/72/1296242372.db2.gz QKWYIPHMGPEFHR-LBPRGKRZSA-N -1 1 338.385 2.152 10 5 EEBEMM CC1(C)CCc2onc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2C1 ZINC001558198642 1342469143 /nfs/dbraw/zinc/46/91/43/1342469143.db2.gz YNMWDGROHOAXTE-UHFFFAOYSA-N -1 1 346.343 2.128 10 5 EEBEMM CCOC(=O)c1nc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)n[n-]1 ZINC001559233329 1342499700 /nfs/dbraw/zinc/49/97/00/1342499700.db2.gz PJOLGDBBHWHFQC-ZCFIWIBFSA-N -1 1 340.727 2.111 10 5 EEBEMM CCOC(=O)c1nnc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)[n-]1 ZINC001559233329 1342499703 /nfs/dbraw/zinc/49/97/03/1342499703.db2.gz PJOLGDBBHWHFQC-ZCFIWIBFSA-N -1 1 340.727 2.111 10 5 EEBEMM CCOC(=O)c1n[n-]c([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)n1 ZINC001559233329 1342499706 /nfs/dbraw/zinc/49/97/06/1342499706.db2.gz PJOLGDBBHWHFQC-ZCFIWIBFSA-N -1 1 340.727 2.111 10 5 EEBEMM CCc1nc([C@@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)no1 ZINC001586491114 1348851751 /nfs/dbraw/zinc/85/17/51/1348851751.db2.gz JOVAYZZRASWYNL-JTQLQIEISA-N -1 1 347.331 2.008 10 5 EEBEMM COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000921425057 773354027 /nfs/dbraw/zinc/35/40/27/773354027.db2.gz VTCVUYNUMDHWDE-VIFPVBQESA-N -1 1 334.369 2.134 10 5 EEBEMM CSc1ncc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c(=O)[n-]1 ZINC001171890597 796784696 /nfs/dbraw/zinc/78/46/96/796784696.db2.gz KZSNWBUVGHLFTN-UHFFFAOYSA-N -1 1 334.357 2.051 10 5 EEBEMM CCO[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1(CC)CC ZINC001182864702 801378275 /nfs/dbraw/zinc/37/82/75/801378275.db2.gz ZWKJIWNFDBCDHC-OLZOCXBDSA-N -1 1 337.376 2.409 10 5 EEBEMM O=C(Nc1ccc2[nH]nnc2c1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001445293720 1100525009 /nfs/dbraw/zinc/52/50/09/1100525009.db2.gz XHIBGKPXXPIDMU-UHFFFAOYSA-N -1 1 333.691 2.477 10 5 EEBEMM COCC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000416582841 313264869 /nfs/dbraw/zinc/26/48/69/313264869.db2.gz BONHYRMCZUMXAD-UHFFFAOYSA-N -1 1 334.419 2.140 10 5 EEBEMM Cc1ccnc([C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000566467327 319291857 /nfs/dbraw/zinc/29/18/57/319291857.db2.gz VPMJDUPKEVBXOL-LLVKDONJSA-N -1 1 328.328 2.029 10 5 EEBEMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194015872 463772812 /nfs/dbraw/zinc/77/28/12/463772812.db2.gz QKGFPJIDRXJSSX-SECBINFHSA-N -1 1 347.375 2.446 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CCOCC3)s1 ZINC000374446342 467048277 /nfs/dbraw/zinc/04/82/77/467048277.db2.gz IRMXVLFGCPWTHJ-SNVBAGLBSA-N -1 1 346.430 2.284 10 5 EEBEMM CCC[C@H](NC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000752528204 577772217 /nfs/dbraw/zinc/77/22/17/577772217.db2.gz KRTUQXROUHDQPG-LXKVQUBZSA-N -1 1 330.348 2.169 10 5 EEBEMM O=[N+]([O-])c1ccc([O-])cc1CN1CCN(CCc2ccncc2)CC1 ZINC000931340485 1297147123 /nfs/dbraw/zinc/14/71/23/1297147123.db2.gz MOSWGLMVAPXRCE-UHFFFAOYSA-N -1 1 342.399 2.056 10 5 EEBEMM C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1cccc([N+](=O)[O-])c1 ZINC001141891028 1315374133 /nfs/dbraw/zinc/37/41/33/1315374133.db2.gz BBYJHEXJHIZZIE-VIFPVBQESA-N -1 1 328.328 2.459 10 5 EEBEMM CCOC(=O)c1cc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC001153263609 1316800547 /nfs/dbraw/zinc/80/05/47/1316800547.db2.gz AWUWVCVRFDANRT-UHFFFAOYSA-N -1 1 338.707 2.400 10 5 EEBEMM O=C(c1cccc([O-])c1F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001290982363 1328298798 /nfs/dbraw/zinc/29/87/98/1328298798.db2.gz UJPXMFPJVKGHKX-UHFFFAOYSA-N -1 1 345.330 2.402 10 5 EEBEMM O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001586210987 1348847745 /nfs/dbraw/zinc/84/77/45/1348847745.db2.gz DJYWANMOGHJENJ-UHFFFAOYSA-N -1 1 340.295 2.444 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCC3(CCC3)O2)s1 ZINC000921933688 798193021 /nfs/dbraw/zinc/19/30/21/798193021.db2.gz MGPLNUXEGKFJOL-JTQLQIEISA-N -1 1 346.430 2.426 10 5 EEBEMM C[C@]1(C2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)COC(=O)N1 ZINC001176209590 798379999 /nfs/dbraw/zinc/37/99/99/798379999.db2.gz HPIDSUAXCCSQBI-MRXNPFEDSA-N -1 1 335.360 2.011 10 5 EEBEMM Cc1ccc2c(c1C)OC[C@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000343066680 161099760 /nfs/dbraw/zinc/09/97/60/161099760.db2.gz HOZWXKNVMBQIQX-CYBMUJFWSA-N -1 1 329.312 2.176 10 5 EEBEMM COc1ccc(OC)c([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000274894383 269070563 /nfs/dbraw/zinc/07/05/63/269070563.db2.gz NALXULJLLLFUQL-VIFPVBQESA-N -1 1 347.327 2.204 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H](CO)C1 ZINC000416648000 313284683 /nfs/dbraw/zinc/28/46/83/313284683.db2.gz WQBTVJIBZQEIIN-NXEZZACHSA-N -1 1 348.808 2.078 10 5 EEBEMM O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000336787416 465044888 /nfs/dbraw/zinc/04/48/88/465044888.db2.gz DXIXRIIMKLKOKC-CQSZACIVSA-N -1 1 341.367 2.305 10 5 EEBEMM O=C(NCC[C@H]1CCc2ccccc2N1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000593927105 468437254 /nfs/dbraw/zinc/43/72/54/468437254.db2.gz VVCSFJIEHRKECM-GFCCVEGCSA-N -1 1 342.355 2.242 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1c1ccncc1 ZINC000598570025 468917306 /nfs/dbraw/zinc/91/73/06/468917306.db2.gz GBFXCUDZOOTZMV-AWEZNQCLSA-N -1 1 340.339 2.458 10 5 EEBEMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001648977577 1187260079 /nfs/dbraw/zinc/26/00/79/1187260079.db2.gz CVNLJQQXKQOHKJ-UHFFFAOYSA-N -1 1 348.384 2.359 10 5 EEBEMM COc1ccc(C[C@@H]2CCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001137254377 1204638586 /nfs/dbraw/zinc/63/85/86/1204638586.db2.gz WMKLEXHLLGSCDC-ZDUSSCGKSA-N -1 1 343.339 2.161 10 5 EEBEMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801702518 1236052631 /nfs/dbraw/zinc/05/26/31/1236052631.db2.gz JXFCTGOCAQZFNA-UHFFFAOYSA-N -1 1 345.746 2.464 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c([N+](=O)[O-])s1 ZINC001119006955 1308972680 /nfs/dbraw/zinc/97/26/80/1308972680.db2.gz VIHXKHDQAVCEMX-RNLVFQAGSA-N -1 1 338.357 2.287 10 5 EEBEMM CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SC)c1nn[n-]n1 ZINC001294422517 1329014302 /nfs/dbraw/zinc/01/43/02/1329014302.db2.gz RKEVAXJELJLVJM-SNVBAGLBSA-N -1 1 336.377 2.101 10 5 EEBEMM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1C1CCCC1 ZINC001347388527 1337508230 /nfs/dbraw/zinc/50/82/30/1337508230.db2.gz SEPQKNGTTKHYOG-LBPRGKRZSA-N -1 1 333.388 2.389 10 5 EEBEMM CCCc1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000451959936 243325465 /nfs/dbraw/zinc/32/54/65/243325465.db2.gz ODJURVSVMAARKV-UHFFFAOYSA-N -1 1 345.402 2.384 10 5 EEBEMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(F)(F)F ZINC000345631872 161317857 /nfs/dbraw/zinc/31/78/57/161317857.db2.gz BEBYUTPHDUJSEA-JTQLQIEISA-N -1 1 342.295 2.223 10 5 EEBEMM Cc1nc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)sc1C ZINC000435213315 314887902 /nfs/dbraw/zinc/88/79/02/314887902.db2.gz MVHNGHHTQLYOEB-UHFFFAOYSA-N -1 1 327.387 2.147 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(F)(c2ccccn2)CC1 ZINC000552128410 318499046 /nfs/dbraw/zinc/49/90/46/318499046.db2.gz XSBDNXDTKXZDCN-UHFFFAOYSA-N -1 1 346.318 2.191 10 5 EEBEMM Cc1nc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cs1 ZINC000194035290 463777276 /nfs/dbraw/zinc/77/72/76/463777276.db2.gz IBNULRRKWQLFEC-NSHDSACASA-N -1 1 334.357 2.438 10 5 EEBEMM CN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@@H]1c1ccccc1 ZINC000179222538 464085983 /nfs/dbraw/zinc/08/59/83/464085983.db2.gz PDRBHKUWWCVFBX-ZBFHGGJFSA-N -1 1 341.367 2.476 10 5 EEBEMM Cc1[nH]nc(C(=O)[N-]c2cc(-c3ccccc3F)on2)c1[N+](=O)[O-] ZINC000448490841 467591388 /nfs/dbraw/zinc/59/13/88/467591388.db2.gz DSPASLITFXREGL-UHFFFAOYSA-N -1 1 331.263 2.673 10 5 EEBEMM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1(F)F ZINC000595351501 468821416 /nfs/dbraw/zinc/82/14/16/468821416.db2.gz UIXLTDRAZMBJHZ-SNVBAGLBSA-N -1 1 338.307 2.304 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000595375890 468830219 /nfs/dbraw/zinc/83/02/19/468830219.db2.gz GIZPKWUADBIKIM-LLVKDONJSA-N -1 1 344.437 2.306 10 5 EEBEMM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000595378212 468831605 /nfs/dbraw/zinc/83/16/05/468831605.db2.gz XCFBAZXWKLOVEZ-NSHDSACASA-N -1 1 327.406 2.485 10 5 EEBEMM Cc1ccnc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)c1 ZINC000598738452 468979911 /nfs/dbraw/zinc/97/99/11/468979911.db2.gz KVCZRQZRNPEBRJ-LLVKDONJSA-N -1 1 328.328 2.029 10 5 EEBEMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000588144538 469121163 /nfs/dbraw/zinc/12/11/63/469121163.db2.gz MYLPTMLUFORKHW-SNVBAGLBSA-N -1 1 336.316 2.070 10 5 EEBEMM COC(=O)[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000599654488 469325932 /nfs/dbraw/zinc/32/59/32/469325932.db2.gz MPKBOQILSDFRHY-LZWOXQAQSA-N -1 1 334.372 2.464 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC23CCOCC3)s1 ZINC000867777178 1201677337 /nfs/dbraw/zinc/67/73/37/1201677337.db2.gz QLRZXHLJBZHAFT-SNVBAGLBSA-N -1 1 346.430 2.141 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H]1CCCOC1 ZINC000859252312 1294365147 /nfs/dbraw/zinc/36/51/47/1294365147.db2.gz MDVDTMOGHRBLQN-JTQLQIEISA-N -1 1 348.808 2.343 10 5 EEBEMM CCc1ccc(C(=O)NCc2cc(=O)[n-]c(SC)n2)cc1[N+](=O)[O-] ZINC001299998373 1330169937 /nfs/dbraw/zinc/16/99/37/1330169937.db2.gz JTGRLGAQOGEURD-UHFFFAOYSA-N -1 1 348.384 2.305 10 5 EEBEMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000091054508 159201432 /nfs/dbraw/zinc/20/14/32/159201432.db2.gz UMWLFBUEALIOQR-UHFFFAOYSA-N -1 1 349.368 2.111 10 5 EEBEMM COc1cc(C(=O)[N-]c2ncn(C(C)(C)C)n2)c([N+](=O)[O-])cc1F ZINC000410694895 312483657 /nfs/dbraw/zinc/48/36/57/312483657.db2.gz QQLFCKCELPNOIK-UHFFFAOYSA-N -1 1 337.311 2.341 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]CC2(C3CCC3)CCC2)c([N+](=O)[O-])n1 ZINC000416504405 313240309 /nfs/dbraw/zinc/24/03/09/313240309.db2.gz USSLNZZPLBHZCS-UHFFFAOYSA-N -1 1 342.421 2.060 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCC[C@H](CO)C1 ZINC000416648008 313284820 /nfs/dbraw/zinc/28/48/20/313284820.db2.gz WQBTVJIBZQEIIN-VHSXEESVSA-N -1 1 348.808 2.078 10 5 EEBEMM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000105882227 463486340 /nfs/dbraw/zinc/48/63/40/463486340.db2.gz NYJMERLWBSRBMB-CYBMUJFWSA-N -1 1 345.359 2.023 10 5 EEBEMM CCC[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000285159527 464471642 /nfs/dbraw/zinc/47/16/42/464471642.db2.gz AKUKRDWGHTVACX-ZDUSSCGKSA-N -1 1 348.808 2.486 10 5 EEBEMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCc2[nH]cnc2C1 ZINC000597468320 468566726 /nfs/dbraw/zinc/56/67/26/468566726.db2.gz XUWMXBPLDVWIGC-SSDOTTSWSA-N -1 1 336.735 2.421 10 5 EEBEMM O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600476638 468569409 /nfs/dbraw/zinc/56/94/09/468569409.db2.gz FGPDBOMHJZLMGY-DDTOSNHZSA-N -1 1 345.742 2.417 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCCO2)s1 ZINC000601517040 468903958 /nfs/dbraw/zinc/90/39/58/468903958.db2.gz OEROJVBTAOWPBA-ZWNOBZJWSA-N -1 1 346.430 2.282 10 5 EEBEMM Cc1nc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)[nH]c1C ZINC001649061451 1193501395 /nfs/dbraw/zinc/50/13/95/1193501395.db2.gz OCJXLZOXWDMTSK-UHFFFAOYSA-N -1 1 345.359 2.055 10 5 EEBEMM O=Cc1ccc(OCC(=O)Nc2cccc(F)c2[O-])c([N+](=O)[O-])c1 ZINC001587389199 1348862531 /nfs/dbraw/zinc/86/25/31/1348862531.db2.gz AWJYGRYDSZEBSM-UHFFFAOYSA-N -1 1 334.259 2.270 10 5 EEBEMM C[C@@](CO)(NC(=O)c1ccc([O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC001643601621 1352750990 /nfs/dbraw/zinc/75/09/90/1352750990.db2.gz QQLWNEFUNIMWBK-INIZCTEOSA-N -1 1 334.303 2.077 10 5 EEBEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001643824130 1352752838 /nfs/dbraw/zinc/75/28/38/1352752838.db2.gz QXVFRQPTLYTWRP-UHFFFAOYSA-N -1 1 338.755 2.060 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Cl)ccn2)s1 ZINC000355763278 790091297 /nfs/dbraw/zinc/09/12/97/790091297.db2.gz QRSHVEWXNLUCNG-UHFFFAOYSA-N -1 1 333.778 2.183 10 5 EEBEMM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000788415153 807523871 /nfs/dbraw/zinc/52/38/71/807523871.db2.gz CBIPZXLYFTYULZ-JTQLQIEISA-N -1 1 336.822 2.421 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](OC2CCC2)CC1 ZINC001471249346 1110519710 /nfs/dbraw/zinc/51/97/10/1110519710.db2.gz BOESNSMMXLDKPH-ZDUSSCGKSA-N -1 1 335.360 2.259 10 5 EEBEMM C[C@]1(c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)COC(=O)N1 ZINC001471594644 1110525167 /nfs/dbraw/zinc/52/51/67/1110525167.db2.gz MIKASGXOZHDUCP-OAHLLOKOSA-N -1 1 330.300 2.130 10 5 EEBEMM C[C@@]1(c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)COC(=O)N1 ZINC001471594641 1110525351 /nfs/dbraw/zinc/52/53/51/1110525351.db2.gz MIKASGXOZHDUCP-HNNXBMFYSA-N -1 1 330.300 2.130 10 5 EEBEMM CCOc1ccc(CCN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC001472630696 1110561256 /nfs/dbraw/zinc/56/12/56/1110561256.db2.gz HUDAFZQGNASXQB-UHFFFAOYSA-N -1 1 345.355 2.409 10 5 EEBEMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000187019004 236095685 /nfs/dbraw/zinc/09/56/85/236095685.db2.gz VUFTUZPYXCOTDL-ABAIWWIYSA-N -1 1 343.339 2.298 10 5 EEBEMM CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000451814063 243276158 /nfs/dbraw/zinc/27/61/58/243276158.db2.gz FTWJCRDPMXIZPZ-WDEREUQCSA-N -1 1 348.446 2.386 10 5 EEBEMM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000175626676 255858529 /nfs/dbraw/zinc/85/85/29/255858529.db2.gz NXNWABHUAZAYLT-SSDOTTSWSA-N -1 1 333.416 2.461 10 5 EEBEMM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000377392709 154177134 /nfs/dbraw/zinc/17/71/34/154177134.db2.gz YGHBNAALOSFYNS-AMIZOPFISA-N -1 1 340.382 2.457 10 5 EEBEMM Cc1cccc2c1OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000188273395 281283441 /nfs/dbraw/zinc/28/34/41/281283441.db2.gz KWWZNMHFTGORJA-ZDUSSCGKSA-N -1 1 329.312 2.257 10 5 EEBEMM Cc1nc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)sc1C ZINC000435220432 314887508 /nfs/dbraw/zinc/88/75/08/314887508.db2.gz OLBPXUDERJYJAZ-UHFFFAOYSA-N -1 1 341.414 2.189 10 5 EEBEMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCc2ccccc21 ZINC000593899415 468426493 /nfs/dbraw/zinc/42/64/93/468426493.db2.gz AHAUDYRDECRUCB-LLVKDONJSA-N -1 1 327.340 2.497 10 5 EEBEMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(=O)OC)sc2C)n1 ZINC000597760042 468661918 /nfs/dbraw/zinc/66/19/18/468661918.db2.gz PWBDEBUYMVCGNC-UHFFFAOYSA-N -1 1 338.345 2.220 10 5 EEBEMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000769044788 577567935 /nfs/dbraw/zinc/56/79/35/577567935.db2.gz CVCUODAOWJCKJX-UHFFFAOYSA-N -1 1 345.263 2.069 10 5 EEBEMM CCOC(=O)c1nc([C@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)n[n-]1 ZINC001612592201 1352310153 /nfs/dbraw/zinc/31/01/53/1352310153.db2.gz VRJOOBGTBPMJFY-LURJTMIESA-N -1 1 341.274 2.341 10 5 EEBEMM CCOC(=O)c1nnc([C@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)[n-]1 ZINC001612592201 1352310156 /nfs/dbraw/zinc/31/01/56/1352310156.db2.gz VRJOOBGTBPMJFY-LURJTMIESA-N -1 1 341.274 2.341 10 5 EEBEMM CCOC(=O)c1n[n-]c([C@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC001612592201 1352310157 /nfs/dbraw/zinc/31/01/57/1352310157.db2.gz VRJOOBGTBPMJFY-LURJTMIESA-N -1 1 341.274 2.341 10 5 EEBEMM C[C@](CO)(NC(=O)c1cc(F)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC001643602076 1352750969 /nfs/dbraw/zinc/75/09/69/1352750969.db2.gz ZCHRDJPVYJFNAG-MRXNPFEDSA-N -1 1 334.303 2.077 10 5 EEBEMM CC(C)CN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001651239465 1354046040 /nfs/dbraw/zinc/04/60/40/1354046040.db2.gz CCIMOJKJRFEVEK-UHFFFAOYSA-N -1 1 330.344 2.389 10 5 EEBEMM Cc1cc(CSCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC001656934080 1354302216 /nfs/dbraw/zinc/30/22/16/1354302216.db2.gz WLQIXGFBGCOJFM-UHFFFAOYSA-N -1 1 335.341 2.081 10 5 EEBEMM CSc1n[nH]c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC001544529668 1124156966 /nfs/dbraw/zinc/15/69/66/1124156966.db2.gz IRNVKVFYHUBMBV-UHFFFAOYSA-N -1 1 329.725 2.046 10 5 EEBEMM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000190376029 160159358 /nfs/dbraw/zinc/15/93/58/160159358.db2.gz WWHXDESPJBNRBN-ZDUSSCGKSA-N -1 1 348.446 2.266 10 5 EEBEMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C)(C(=O)[O-])CC1 ZINC000592399125 468690597 /nfs/dbraw/zinc/69/05/97/468690597.db2.gz NWIJQJVJNHWSDL-NSHDSACASA-N -1 1 335.360 2.109 10 5 EEBEMM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000599445164 469260886 /nfs/dbraw/zinc/26/08/86/469260886.db2.gz LCLJYISXMONAGD-UHFFFAOYSA-N -1 1 337.348 2.340 10 5 EEBEMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001134127746 1199323516 /nfs/dbraw/zinc/32/35/16/1199323516.db2.gz AWNNNKKVIFYKSL-IUCAKERBSA-N -1 1 341.249 2.474 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@H]1CCCS1 ZINC000867664141 1201653744 /nfs/dbraw/zinc/65/37/44/1201653744.db2.gz SGQUDYUYIXWMDY-SECBINFHSA-N -1 1 334.394 2.298 10 5 EEBEMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000854564550 1292853317 /nfs/dbraw/zinc/85/33/17/1292853317.db2.gz XFWYSTJWXDWNSB-ABAIWWIYSA-N -1 1 345.355 2.280 10 5 EEBEMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000859342140 1294400924 /nfs/dbraw/zinc/40/09/24/1294400924.db2.gz VHHMTPKOQYRBQL-YDEXJTGXSA-N -1 1 348.808 2.338 10 5 EEBEMM O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC001142814861 1315758440 /nfs/dbraw/zinc/75/84/40/1315758440.db2.gz FMVVTLHLMUAEKM-UHFFFAOYSA-N -1 1 330.279 2.023 10 5 EEBEMM CCC(CC)(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nn[n-]n1 ZINC001297488345 1329976089 /nfs/dbraw/zinc/97/60/89/1329976089.db2.gz WFJXHLFLOXIRCT-UHFFFAOYSA-N -1 1 338.755 2.207 10 5 EEBEMM CC(C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001298428295 1330076731 /nfs/dbraw/zinc/07/67/31/1330076731.db2.gz PKEKABAOYIIYKY-UHFFFAOYSA-N -1 1 329.312 2.087 10 5 EEBEMM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n(-c2ccc(F)cc2C)n1 ZINC001611384208 1352299926 /nfs/dbraw/zinc/29/99/26/1352299926.db2.gz YRGYANBSNCRGRY-UHFFFAOYSA-N -1 1 345.290 2.199 10 5 EEBEMM CC(C)(C)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(=O)[nH]1 ZINC001611620191 1352303273 /nfs/dbraw/zinc/30/32/73/1352303273.db2.gz FIXORORFBMKKJD-UHFFFAOYSA-N -1 1 346.343 2.024 10 5 EEBEMM O=C(NCCSCCC(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001454774118 1107626916 /nfs/dbraw/zinc/62/69/16/1107626916.db2.gz HSIFMBHGEUZBMJ-UHFFFAOYSA-N -1 1 339.295 2.111 10 5 EEBEMM CSc1ncc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC001467890406 1110465727 /nfs/dbraw/zinc/46/57/27/1110465727.db2.gz URRXBBCXFXXSHB-UHFFFAOYSA-N -1 1 348.384 2.127 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@](F)(c2ccccc2)C1 ZINC000375013160 143706311 /nfs/dbraw/zinc/70/63/11/143706311.db2.gz ZFEFGIKBQZKISL-INIZCTEOSA-N -1 1 331.303 2.406 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2COc3ccccc32)s1 ZINC000194622203 160197115 /nfs/dbraw/zinc/19/71/15/160197115.db2.gz AYUDBJKVDQLYSJ-SECBINFHSA-N -1 1 326.355 2.068 10 5 EEBEMM CN(C)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1cccs1 ZINC000345610932 161315992 /nfs/dbraw/zinc/31/59/92/161315992.db2.gz LPHVFJSQWLEGHW-CYBMUJFWSA-N -1 1 335.385 2.395 10 5 EEBEMM COC(=O)c1coc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC000352918138 162346676 /nfs/dbraw/zinc/34/66/76/162346676.db2.gz UXYVYJNTOXPSNQ-UHFFFAOYSA-N -1 1 348.267 2.013 10 5 EEBEMM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000375723359 167179005 /nfs/dbraw/zinc/17/90/05/167179005.db2.gz DUEYZBQHAHVOIH-MEBBXXQBSA-N -1 1 343.339 2.160 10 5 EEBEMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](c1nnc[nH]1)c1ccccc1 ZINC000339112829 465089009 /nfs/dbraw/zinc/08/90/09/465089009.db2.gz UEDTVAFOEWLXRU-OAHLLOKOSA-N -1 1 325.328 2.298 10 5 EEBEMM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637642 462915313 /nfs/dbraw/zinc/91/53/13/462915313.db2.gz ZPVKLEDNCGPVCY-UHFFFAOYSA-N -1 1 333.373 2.422 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccn3)CC2)s1 ZINC000194073056 463784917 /nfs/dbraw/zinc/78/49/17/463784917.db2.gz USNJSXMPUANEDV-UHFFFAOYSA-N -1 1 339.398 2.061 10 5 EEBEMM Cc1nc([C@@H]2CCCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)no1 ZINC000365196388 466741467 /nfs/dbraw/zinc/74/14/67/466741467.db2.gz HLELYHTWRRLTEW-NSHDSACASA-N -1 1 347.331 2.144 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC23CCOCC3)s1 ZINC000374446341 467048114 /nfs/dbraw/zinc/04/81/14/467048114.db2.gz IRMXVLFGCPWTHJ-JTQLQIEISA-N -1 1 346.430 2.284 10 5 EEBEMM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)n1 ZINC000427946143 467187794 /nfs/dbraw/zinc/18/77/94/467187794.db2.gz MWFNHVNTPYNZBT-UHFFFAOYSA-N -1 1 342.315 2.159 10 5 EEBEMM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000420735404 467467717 /nfs/dbraw/zinc/46/77/17/467467717.db2.gz WUVKNRULEGGQRR-UWVGGRQHSA-N -1 1 348.808 2.484 10 5 EEBEMM O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000600674334 468616748 /nfs/dbraw/zinc/61/67/48/468616748.db2.gz KTFMHUNSLMQJAY-HNNXBMFYSA-N -1 1 332.312 2.251 10 5 EEBEMM O=C([O-])[C@@H]1c2ccoc2CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000600674334 468616751 /nfs/dbraw/zinc/61/67/51/468616751.db2.gz KTFMHUNSLMQJAY-HNNXBMFYSA-N -1 1 332.312 2.251 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600775399 468654583 /nfs/dbraw/zinc/65/45/83/468654583.db2.gz NRAAPYAPVVQGRQ-LLVKDONJSA-N -1 1 329.312 2.031 10 5 EEBEMM O=C(N[C@H]1C[C@H](Oc2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598199808 468792721 /nfs/dbraw/zinc/79/27/21/468792721.db2.gz IEFGXLMIKJMAJF-AULYBMBSSA-N -1 1 329.312 2.035 10 5 EEBEMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000610032109 469975676 /nfs/dbraw/zinc/97/56/76/469975676.db2.gz BRYBBZNGSJTNGC-UHFFFAOYSA-N -1 1 332.341 2.352 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CCO)c2cccs2)s1 ZINC000751434168 577752368 /nfs/dbraw/zinc/75/23/68/577752368.db2.gz DBQZJWNAWHGEDH-QMMMGPOBSA-N -1 1 348.427 2.120 10 5 EEBEMM COc1cc(OC)nc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)n1 ZINC001128847711 1195822765 /nfs/dbraw/zinc/82/27/65/1195822765.db2.gz RFOFXUVCLQAJPU-UHFFFAOYSA-N -1 1 338.707 2.308 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H](CO)C1 ZINC000841572679 1315581345 /nfs/dbraw/zinc/58/13/45/1315581345.db2.gz LVEMWTFGZUEKTO-ONGXEEELSA-N -1 1 348.808 2.078 10 5 EEBEMM C[S@](=O)(=NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001635438794 1352645890 /nfs/dbraw/zinc/64/58/90/1352645890.db2.gz ISTZTMYJIJOKHX-JOCHJYFZSA-N -1 1 327.362 2.266 10 5 EEBEMM Cn1cc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c2ccccc21 ZINC001641755074 1352724978 /nfs/dbraw/zinc/72/49/78/1352724978.db2.gz AFBYFNLMHODWMT-UHFFFAOYSA-N -1 1 340.339 2.160 10 5 EEBEMM O=C(NC[C@@]1(c2ccccc2)CCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001645138442 1352772875 /nfs/dbraw/zinc/77/28/75/1352772875.db2.gz HTOQRGZFHLTRIO-QGZVFWFLSA-N -1 1 343.339 2.131 10 5 EEBEMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001654760248 1354156852 /nfs/dbraw/zinc/15/68/52/1354156852.db2.gz QLGPEHQCIKIIQH-GXFFZTMASA-N -1 1 335.266 2.260 10 5 EEBEMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCS1 ZINC000921713557 795588223 /nfs/dbraw/zinc/58/82/23/795588223.db2.gz AFPOZTMMEJNUDI-RKDXNWHRSA-N -1 1 334.394 2.296 10 5 EEBEMM COc1cc(F)c([N+](=O)[O-])c(N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000786555444 806810557 /nfs/dbraw/zinc/81/05/57/806810557.db2.gz SKLDFMDTAUDIGG-UHFFFAOYSA-N -1 1 338.295 2.215 10 5 EEBEMM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(C(=O)OC)on1 ZINC001524766484 1120228113 /nfs/dbraw/zinc/22/81/13/1120228113.db2.gz MEEKDHLCIBSORS-UHFFFAOYSA-N -1 1 335.272 2.020 10 5 EEBEMM COc1cccc(-c2cc(C(=O)[N-]c3c([N+](=O)[O-])ncn3C)on2)c1 ZINC001525898331 1120370058 /nfs/dbraw/zinc/37/00/58/1120370058.db2.gz DMRLKKBJBFMOJP-UHFFFAOYSA-N -1 1 343.299 2.244 10 5 EEBEMM Cc1nc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])n[nH]1 ZINC001538229777 1124022741 /nfs/dbraw/zinc/02/27/41/1124022741.db2.gz IGILOQQCSJEMPS-UHFFFAOYSA-N -1 1 326.110 2.036 10 5 EEBEMM Cn1cccc1[C@@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187160916 236134153 /nfs/dbraw/zinc/13/41/53/236134153.db2.gz NJSVGPGNTFXDCZ-ZDUSSCGKSA-N -1 1 330.344 2.401 10 5 EEBEMM O=C([O-])C[C@@H](NCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072334052 203202415 /nfs/dbraw/zinc/20/24/15/203202415.db2.gz GAWOSWLTRAOFNX-OAHLLOKOSA-N -1 1 343.339 2.166 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CCO)CCCCC2)s1 ZINC000186275361 160065805 /nfs/dbraw/zinc/06/58/05/160065805.db2.gz OFNSMBWKLXQMGK-UHFFFAOYSA-N -1 1 348.446 2.268 10 5 EEBEMM Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)n1 ZINC000357424903 312399745 /nfs/dbraw/zinc/39/97/45/312399745.db2.gz AUSUHWDFCCYJOS-UHFFFAOYSA-N -1 1 339.311 2.234 10 5 EEBEMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594486437 468605716 /nfs/dbraw/zinc/60/57/16/468605716.db2.gz FUNFMRBYHODUGR-SECBINFHSA-N -1 1 349.359 2.482 10 5 EEBEMM COc1cc(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC000571881480 468852972 /nfs/dbraw/zinc/85/29/72/468852972.db2.gz QJIKRAOPKWEJED-ZYHUDNBSSA-N -1 1 338.360 2.155 10 5 EEBEMM O=C(Cc1ccc([O-])c(Cl)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000601409770 468862081 /nfs/dbraw/zinc/86/20/81/468862081.db2.gz WCWRRYPKFLVALO-UHFFFAOYSA-N -1 1 347.758 2.476 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)nc2)s1 ZINC000125238625 1199085329 /nfs/dbraw/zinc/08/53/29/1199085329.db2.gz QJNDSXYHGGYKBY-UHFFFAOYSA-N -1 1 347.805 2.226 10 5 EEBEMM O=C(c1cccc([O-])c1F)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001293905351 1328837137 /nfs/dbraw/zinc/83/71/37/1328837137.db2.gz BTESNNNUKUHUMF-SNVBAGLBSA-N -1 1 346.318 2.161 10 5 EEBEMM C[S@](=O)(=NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001652347020 1354088588 /nfs/dbraw/zinc/08/85/88/1354088588.db2.gz IGYJZNUXBCLUOK-HSZRJFAPSA-N -1 1 339.304 2.132 10 5 EEBEMM COC(=O)c1c[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc12 ZINC001147880090 792035441 /nfs/dbraw/zinc/03/54/41/792035441.db2.gz QFGWRNAWZXRLJZ-UHFFFAOYSA-N -1 1 328.284 2.443 10 5 EEBEMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cnc(C3CC3)[n-]c1=O)CC2 ZINC001466413500 1110435287 /nfs/dbraw/zinc/43/52/87/1110435287.db2.gz JWUWZTJSFIBVFB-UHFFFAOYSA-N -1 1 340.339 2.479 10 5 EEBEMM CC(C)c1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1[N+](=O)[O-] ZINC000439266941 315072923 /nfs/dbraw/zinc/07/29/23/315072923.db2.gz CAILNOQITKAYGR-UHFFFAOYSA-N -1 1 344.375 2.431 10 5 EEBEMM CCCc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000490515244 315803033 /nfs/dbraw/zinc/80/30/33/315803033.db2.gz YSUDLPLAAUEJBQ-UHFFFAOYSA-N -1 1 345.402 2.384 10 5 EEBEMM Cc1nc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cs1 ZINC000194035304 463777086 /nfs/dbraw/zinc/77/70/86/463777086.db2.gz IBNULRRKWQLFEC-LLVKDONJSA-N -1 1 334.357 2.438 10 5 EEBEMM C[C@H](COCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000174590156 464426468 /nfs/dbraw/zinc/42/64/68/464426468.db2.gz IHGSOGKRHWTUTG-LLVKDONJSA-N -1 1 331.328 2.031 10 5 EEBEMM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])o1 ZINC000610267311 469997252 /nfs/dbraw/zinc/99/72/52/469997252.db2.gz XCQWLYLTLWVAAG-JTQLQIEISA-N -1 1 339.373 2.191 10 5 EEBEMM Cn1cccc1[C@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187160933 534783702 /nfs/dbraw/zinc/78/37/02/534783702.db2.gz NJSVGPGNTFXDCZ-CYBMUJFWSA-N -1 1 330.344 2.401 10 5 EEBEMM C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000052288877 681989380 /nfs/dbraw/zinc/98/93/80/681989380.db2.gz BPAPYLCYHCFEPG-SVRRBLITSA-N -1 1 335.179 2.044 10 5 EEBEMM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21)c1nn[n-]n1 ZINC000860786123 1295110044 /nfs/dbraw/zinc/11/00/44/1295110044.db2.gz UYJOXOGIPHGERG-SNVBAGLBSA-N -1 1 340.343 2.137 10 5 EEBEMM CCNC(=O)Nc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC001294403926 1329006292 /nfs/dbraw/zinc/00/62/92/1329006292.db2.gz CFLHTWTWZOAFGE-UHFFFAOYSA-N -1 1 335.295 2.456 10 5 EEBEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC001303201789 1331348951 /nfs/dbraw/zinc/34/89/51/1331348951.db2.gz PXKVTBRWZWGTRX-UHFFFAOYSA-N -1 1 338.755 2.060 10 5 EEBEMM COc1cccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)c1[N+](=O)[O-] ZINC001584800095 1348763229 /nfs/dbraw/zinc/76/32/29/1348763229.db2.gz GHQYRODBCWZJAI-UHFFFAOYSA-N -1 1 344.327 2.230 10 5 EEBEMM O=C(NC1(c2ccccc2)CCOCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001585670875 1348811358 /nfs/dbraw/zinc/81/13/58/1348811358.db2.gz GYRGQESXMDUITQ-UHFFFAOYSA-N -1 1 343.339 2.131 10 5 EEBEMM CCOC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])s2)[n-]c1Cl ZINC001538324595 1124024662 /nfs/dbraw/zinc/02/46/62/1124024662.db2.gz KEQLBLIDYWXPSC-UHFFFAOYSA-N -1 1 344.736 2.462 10 5 EEBEMM C[C@@H](COCc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193641898 240248067 /nfs/dbraw/zinc/24/80/67/240248067.db2.gz SHBBSXUNINRSFB-NSHDSACASA-N -1 1 331.328 2.031 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)s1 ZINC000451805581 243271859 /nfs/dbraw/zinc/27/18/59/243271859.db2.gz VPDVUPHMLUVPPT-JTQLQIEISA-N -1 1 346.430 2.284 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)s1 ZINC000186170774 160060720 /nfs/dbraw/zinc/06/07/20/160060720.db2.gz LRDCTVUHLBVRTB-JTQLQIEISA-N -1 1 334.419 2.284 10 5 EEBEMM Cc1csc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)n1 ZINC000188403950 160122754 /nfs/dbraw/zinc/12/27/54/160122754.db2.gz APNNLWARAKAPHD-UHFFFAOYSA-N -1 1 348.384 2.480 10 5 EEBEMM CSc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1[N+](=O)[O-] ZINC000346351982 161365351 /nfs/dbraw/zinc/36/53/51/161365351.db2.gz OZLHRALOPIYVAD-UHFFFAOYSA-N -1 1 348.388 2.029 10 5 EEBEMM COCC1(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000579225909 323804193 /nfs/dbraw/zinc/80/41/93/323804193.db2.gz SHFFGSSLRQSMEQ-UHFFFAOYSA-N -1 1 348.808 2.343 10 5 EEBEMM CCOc1cccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000161636294 463444700 /nfs/dbraw/zinc/44/47/00/463444700.db2.gz HKVLGAQJKOVOGE-UHFFFAOYSA-N -1 1 331.328 2.067 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1CCSC1 ZINC000867575160 1201636242 /nfs/dbraw/zinc/63/62/42/1201636242.db2.gz DMQVDGWFIOOVJI-SECBINFHSA-N -1 1 334.394 2.155 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCOC2)s1 ZINC000867736670 1201669954 /nfs/dbraw/zinc/66/99/54/1201669954.db2.gz ONXCVLYPEYTHCA-GXFFZTMASA-N -1 1 346.430 2.140 10 5 EEBEMM O=C(Oc1ccc2c(c1)CCCC(=O)N2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001138045821 1314538142 /nfs/dbraw/zinc/53/81/42/1314538142.db2.gz MNLPIPGJCZTWHJ-UHFFFAOYSA-N -1 1 343.295 2.189 10 5 EEBEMM COc1ccc(C[C@H](C)N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001324700559 1333741878 /nfs/dbraw/zinc/74/18/78/1333741878.db2.gz NVSFWYQFDVCVJZ-NSHDSACASA-N -1 1 345.355 2.407 10 5 EEBEMM C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCOC2(CCC2)C1 ZINC001611660120 1352303480 /nfs/dbraw/zinc/30/34/80/1352303480.db2.gz DDCJMNJPTBREMG-OAHLLOKOSA-N -1 1 335.360 2.165 10 5 EEBEMM CSc1ncc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c(=O)[n-]1 ZINC001628523551 1352536702 /nfs/dbraw/zinc/53/67/02/1352536702.db2.gz NZUITGXLLCFKRY-UHFFFAOYSA-N -1 1 332.341 2.015 10 5 EEBEMM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001528205985 1120965278 /nfs/dbraw/zinc/96/52/78/1120965278.db2.gz SWKYRKNZAYGCIO-UHFFFAOYSA-N -1 1 344.327 2.230 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC001537897895 1124016698 /nfs/dbraw/zinc/01/66/98/1124016698.db2.gz YVEONADDBNQIDQ-UHFFFAOYSA-N -1 1 331.284 2.164 10 5 EEBEMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(C)csc2C(=O)OC)n1 ZINC000191718585 237269924 /nfs/dbraw/zinc/26/99/24/237269924.db2.gz WAAPXNWEJVQFOB-UHFFFAOYSA-N -1 1 338.345 2.220 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2COc3ccccc32)s1 ZINC000341949442 161026520 /nfs/dbraw/zinc/02/65/20/161026520.db2.gz HRGCOWCXUNKLGM-VIFPVBQESA-N -1 1 340.382 2.111 10 5 EEBEMM CC1(C)C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000416501083 313239054 /nfs/dbraw/zinc/23/90/54/313239054.db2.gz GKORAPFWSOXRLL-SECBINFHSA-N -1 1 334.419 2.140 10 5 EEBEMM O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354314625 466468168 /nfs/dbraw/zinc/46/81/68/466468168.db2.gz CVOMVIFPTZCZRM-UHFFFAOYSA-N -1 1 344.302 2.288 10 5 EEBEMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])CC2 ZINC000594753896 468674982 /nfs/dbraw/zinc/67/49/82/468674982.db2.gz HKHRCSIVARSBCD-CYBMUJFWSA-N -1 1 333.369 2.264 10 5 EEBEMM COc1nnc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])s1 ZINC000616018696 469354855 /nfs/dbraw/zinc/35/48/55/469354855.db2.gz QFXWANXUTMKGMI-UHFFFAOYSA-N -1 1 326.359 2.429 10 5 EEBEMM O=C(NCc1ccc(-c2c[nH]cn2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001469443321 1110490835 /nfs/dbraw/zinc/49/08/35/1110490835.db2.gz ZMQARGRCHVCORM-UHFFFAOYSA-N -1 1 339.311 2.016 10 5 EEBEMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001524824133 1120230614 /nfs/dbraw/zinc/23/06/14/1120230614.db2.gz JEXNSRWAHQZWHQ-UHFFFAOYSA-N -1 1 325.328 2.119 10 5 EEBEMM CN(C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC001539041064 1124043852 /nfs/dbraw/zinc/04/38/52/1124043852.db2.gz LVMRQHMSBNZQQI-UHFFFAOYSA-N -1 1 339.315 2.128 10 5 EEBEMM COC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000186268805 160065767 /nfs/dbraw/zinc/06/57/67/160065767.db2.gz MXYUHSMEWHPMMA-UHFFFAOYSA-N -1 1 334.419 2.284 10 5 EEBEMM Cc1cccc2c1OCC[C@@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188103589 281284182 /nfs/dbraw/zinc/28/41/82/281284182.db2.gz USLZNETWSPIBGY-LBPRGKRZSA-N -1 1 329.312 2.257 10 5 EEBEMM Cn1ncc2c1nc(Oc1ccc([N+](=O)[O-])c3ncccc13)[n-]c2=O ZINC000351566222 465225173 /nfs/dbraw/zinc/22/51/73/465225173.db2.gz YLZZTUYCLXJOEL-UHFFFAOYSA-N -1 1 338.283 2.318 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCOC2CCCC2)s1 ZINC000057925396 463531073 /nfs/dbraw/zinc/53/10/73/463531073.db2.gz PEQKVYLCCZIJFI-UHFFFAOYSA-N -1 1 334.419 2.284 10 5 EEBEMM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000342990907 465437741 /nfs/dbraw/zinc/43/77/41/465437741.db2.gz DSZZNQNJFMKBAX-SNVBAGLBSA-N -1 1 348.446 2.123 10 5 EEBEMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC2(CCCCC2)O1 ZINC000594415314 468578609 /nfs/dbraw/zinc/57/86/09/468578609.db2.gz NFIWZPFYHAGUFM-LLVKDONJSA-N -1 1 335.360 2.259 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599482490 469272379 /nfs/dbraw/zinc/27/23/79/469272379.db2.gz PLFQJRBZOCXVDG-JOYOIKCWSA-N -1 1 346.792 2.094 10 5 EEBEMM O=C(Nc1cnn(-c2ccncc2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000608916044 469886159 /nfs/dbraw/zinc/88/61/59/469886159.db2.gz UMYJAEQLKJZEGD-UHFFFAOYSA-N -1 1 325.284 2.133 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CCSC2)cc1F ZINC000867574109 1201636046 /nfs/dbraw/zinc/63/60/46/1201636046.db2.gz UOHPADUINXNRHR-SNVBAGLBSA-N -1 1 348.421 2.464 10 5 EEBEMM CCC[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOC1 ZINC000796114252 1215308424 /nfs/dbraw/zinc/30/84/24/1215308424.db2.gz PXZAQFQAFGIVDA-CYBMUJFWSA-N -1 1 348.808 2.486 10 5 EEBEMM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801700853 1236052200 /nfs/dbraw/zinc/05/22/00/1236052200.db2.gz SBERUSOMSBQKLM-PBFRKCPLSA-N -1 1 337.339 2.292 10 5 EEBEMM CCc1ncoc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC001182600237 801272633 /nfs/dbraw/zinc/27/26/33/801272633.db2.gz MEVBKWWFCAPOBX-UHFFFAOYSA-N -1 1 328.288 2.183 10 5 EEBEMM CN(C)c1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2[nH]1 ZINC001448493393 1093519770 /nfs/dbraw/zinc/51/97/70/1093519770.db2.gz IFVJLGGQVHWWQY-UHFFFAOYSA-N -1 1 341.327 2.495 10 5 EEBEMM O=C(NC1CC(Nc2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001471723282 1110529245 /nfs/dbraw/zinc/52/92/45/1110529245.db2.gz DBFYVGRCPGBRCG-UHFFFAOYSA-N -1 1 328.328 2.068 10 5 EEBEMM CN(C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1)c1nn[n-]n1 ZINC001539041500 1124043981 /nfs/dbraw/zinc/04/39/81/1124043981.db2.gz YBVUVVIPMZRZMB-UHFFFAOYSA-N -1 1 348.388 2.419 10 5 EEBEMM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001568968634 1125006360 /nfs/dbraw/zinc/00/63/60/1125006360.db2.gz WMRZUXJWEUZPJC-UHFFFAOYSA-N -1 1 346.343 2.320 10 5 EEBEMM CCc1cnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000173811011 152200748 /nfs/dbraw/zinc/20/07/48/152200748.db2.gz VYHMZQOPZYQQHX-UHFFFAOYSA-N -1 1 333.416 2.154 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2noc3c2CCCC3)s1 ZINC000377376509 154167263 /nfs/dbraw/zinc/16/72/63/154167263.db2.gz APTITLJZJVYBKH-UHFFFAOYSA-N -1 1 343.386 2.002 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@@H]2O)s1 ZINC000127863054 292331964 /nfs/dbraw/zinc/33/19/64/292331964.db2.gz SGSCKJHXSGZAFF-QWRGUYRKSA-N -1 1 348.446 2.266 10 5 EEBEMM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000343945608 161183058 /nfs/dbraw/zinc/18/30/58/161183058.db2.gz WHBXYYVJXYRMAO-ZJUUUORDSA-N -1 1 334.419 2.140 10 5 EEBEMM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000541904499 448702500 /nfs/dbraw/zinc/70/25/00/448702500.db2.gz ZDSQODGZXNMLPX-UHFFFAOYSA-N -1 1 342.290 2.090 10 5 EEBEMM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753100 468673866 /nfs/dbraw/zinc/67/38/66/468673866.db2.gz FXZSOTSGNRESNQ-IINYFYTJSA-N -1 1 333.369 2.202 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000594869496 468713109 /nfs/dbraw/zinc/71/31/09/468713109.db2.gz CQGQTJREQUTFLL-UHFFFAOYSA-N -1 1 347.343 2.236 10 5 EEBEMM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(F)F ZINC000595350278 468820576 /nfs/dbraw/zinc/82/05/76/468820576.db2.gz GPYVESUASUWCEK-LURJTMIESA-N -1 1 326.346 2.226 10 5 EEBEMM O=C(NC1CCC2(CC2(F)F)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598775597 469000023 /nfs/dbraw/zinc/00/00/23/469000023.db2.gz NCTLGSQOZQPKLT-UHFFFAOYSA-N -1 1 327.287 2.393 10 5 EEBEMM CC(C)[C@H](O)[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000598774726 469000153 /nfs/dbraw/zinc/00/01/53/469000153.db2.gz LIEXQGJYGIBLDA-CABCVRRESA-N -1 1 345.355 2.183 10 5 EEBEMM Cc1c(NC(=O)[C@H](C)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000563127454 469177258 /nfs/dbraw/zinc/17/72/58/469177258.db2.gz XQMCUNOUCQPBOI-DRZSPHRISA-N -1 1 349.387 2.273 10 5 EEBEMM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610264592 469996433 /nfs/dbraw/zinc/99/64/33/469996433.db2.gz FVKLRUCPRUMUST-GFCCVEGCSA-N -1 1 335.385 2.380 10 5 EEBEMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[nH]n1 ZINC000610317366 470003772 /nfs/dbraw/zinc/00/37/72/470003772.db2.gz GDHPFOKAMPWTCF-UHFFFAOYSA-N -1 1 330.391 2.478 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1F ZINC000867563311 1201634211 /nfs/dbraw/zinc/63/42/11/1201634211.db2.gz XVMZXYUMAIPHKT-YCWTYVPXSA-N -1 1 346.380 2.133 10 5 EEBEMM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c(C)o1 ZINC001330136479 1334783720 /nfs/dbraw/zinc/78/37/20/1334783720.db2.gz OCINAWIKOLRZBP-SECBINFHSA-N -1 1 325.346 2.239 10 5 EEBEMM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001587892220 1348874156 /nfs/dbraw/zinc/87/41/56/1348874156.db2.gz BMQVYSLWIYBCJJ-UHFFFAOYSA-N -1 1 340.339 2.166 10 5 EEBEMM CSc1nc(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc(=O)[n-]1 ZINC001627723752 1352507570 /nfs/dbraw/zinc/50/75/70/1352507570.db2.gz DERQIRNUNKNQLE-QPJJXVBHSA-N -1 1 346.368 2.142 10 5 EEBEMM COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000921422000 773350232 /nfs/dbraw/zinc/35/02/32/773350232.db2.gz OSMJLMFGCIJBRL-QMMMGPOBSA-N -1 1 336.797 2.340 10 5 EEBEMM O=C(Cc1ccc(F)cc1[N+](=O)[O-])[N-]OCCOc1ccccc1 ZINC001457116659 1109466943 /nfs/dbraw/zinc/46/69/43/1109466943.db2.gz YCHTVQHWYQZJRN-UHFFFAOYSA-N -1 1 334.303 2.403 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)n1 ZINC001525686335 1120349169 /nfs/dbraw/zinc/34/91/69/1120349169.db2.gz FSXYJFDLYZSLMJ-UHFFFAOYSA-N -1 1 336.279 2.194 10 5 EEBEMM Cc1cnc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1 ZINC000173981430 231089241 /nfs/dbraw/zinc/08/92/41/231089241.db2.gz NXOAGLTZYIMUJW-UHFFFAOYSA-N -1 1 345.764 2.332 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2nccs2)C1 ZINC000114630534 462665171 /nfs/dbraw/zinc/66/51/71/462665171.db2.gz ABMKHKDLGJTXLS-SECBINFHSA-N -1 1 334.357 2.172 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2F)s1 ZINC000069870132 463341781 /nfs/dbraw/zinc/34/17/81/463341781.db2.gz IQRIZKOIZPFAEN-UHFFFAOYSA-N -1 1 348.352 2.456 10 5 EEBEMM CCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)n[nH]1 ZINC000126530164 463645176 /nfs/dbraw/zinc/64/51/76/463645176.db2.gz OJVGJCNJPCLBAQ-UHFFFAOYSA-N -1 1 340.361 2.080 10 5 EEBEMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]2CCCO[C@H]21 ZINC000365606027 466878968 /nfs/dbraw/zinc/87/89/68/466878968.db2.gz CORJZJKFMUZKII-GGZOMVNGSA-N -1 1 346.430 2.138 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c([N+](=O)[O-])s1 ZINC000601418745 468865762 /nfs/dbraw/zinc/86/57/62/468865762.db2.gz ACYINEGIIDAILR-UHFFFAOYSA-N -1 1 326.346 2.288 10 5 EEBEMM CN(C[C@@H]1CCc2ccccc21)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598775509 469000060 /nfs/dbraw/zinc/00/00/60/469000060.db2.gz FVZPAGVBXWXUMR-LBPRGKRZSA-N -1 1 327.340 2.497 10 5 EEBEMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000610032889 469976301 /nfs/dbraw/zinc/97/63/01/469976301.db2.gz SMZYWQUCNSGXOJ-UHFFFAOYSA-N -1 1 332.341 2.352 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCOC2(C)C)cc1F ZINC000867533364 1201629511 /nfs/dbraw/zinc/62/95/11/1201629511.db2.gz MHGGMTVLVNJQTC-SNVBAGLBSA-N -1 1 346.380 2.136 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@]12CCC[C@H]1OCC2 ZINC000867885959 1201700028 /nfs/dbraw/zinc/70/00/28/1201700028.db2.gz XGVSXWXYQVYQQG-OLZOCXBDSA-N -1 1 346.792 2.238 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccnc1F ZINC000795266287 1212333617 /nfs/dbraw/zinc/33/36/17/1212333617.db2.gz XXJOGLLIFRKMFA-UHFFFAOYSA-N -1 1 345.739 2.261 10 5 EEBEMM CN1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C(C)(C)C1 ZINC001558504739 1342479456 /nfs/dbraw/zinc/47/94/56/1342479456.db2.gz UZANQBDDRJXKMR-NSHDSACASA-N -1 1 327.768 2.024 10 5 EEBEMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001593759076 1349872615 /nfs/dbraw/zinc/87/26/15/1349872615.db2.gz QPCTZUZDNABWTA-UHFFFAOYSA-N -1 1 332.364 2.023 10 5 EEBEMM CSc1nc(CNC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc(=O)[n-]1 ZINC001627723751 1352507730 /nfs/dbraw/zinc/50/77/30/1352507730.db2.gz DERQIRNUNKNQLE-DAXSKMNVSA-N -1 1 346.368 2.142 10 5 EEBEMM CSc1nc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(=O)[n-]1 ZINC001143613254 780115842 /nfs/dbraw/zinc/11/58/42/780115842.db2.gz QPDVDDKQJCXXJR-UHFFFAOYSA-N -1 1 334.357 2.051 10 5 EEBEMM CC1=CCN(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC001467672382 1110461511 /nfs/dbraw/zinc/46/15/11/1110461511.db2.gz QGWQAACYRLETTL-UHFFFAOYSA-N -1 1 339.779 2.336 10 5 EEBEMM CCCC(O)(CCC)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000120238661 292252243 /nfs/dbraw/zinc/25/22/43/292252243.db2.gz YWVLVBNQUWJYGW-UHFFFAOYSA-N -1 1 336.435 2.266 10 5 EEBEMM COc1cccc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000352908328 162340542 /nfs/dbraw/zinc/34/05/42/162340542.db2.gz HEUZVMVEZADFBO-SNVBAGLBSA-N -1 1 331.328 2.065 10 5 EEBEMM Cn1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c(C(F)(F)F)n1 ZINC000350531231 312327662 /nfs/dbraw/zinc/32/76/62/312327662.db2.gz FVRMIGJRCNJGFL-UHFFFAOYSA-N -1 1 328.210 2.392 10 5 EEBEMM O=C(NCCCNc1ccccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445156155 315349032 /nfs/dbraw/zinc/34/90/32/315349032.db2.gz FDRZRROFEWAOKL-UHFFFAOYSA-N -1 1 334.307 2.067 10 5 EEBEMM CCn1nccc1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000282700186 464914848 /nfs/dbraw/zinc/91/48/48/464914848.db2.gz QAJGCACXPRKHSD-UHFFFAOYSA-N -1 1 328.325 2.060 10 5 EEBEMM COCC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000339012163 466568777 /nfs/dbraw/zinc/56/87/77/466568777.db2.gz ZMKBOLFWSXKDFX-UHFFFAOYSA-N -1 1 334.419 2.141 10 5 EEBEMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000610032578 469975773 /nfs/dbraw/zinc/97/57/73/469975773.db2.gz KTCDREMVVLBDME-UHFFFAOYSA-N -1 1 332.341 2.352 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCNc2ccccc2)s1 ZINC000760597606 577666562 /nfs/dbraw/zinc/66/65/62/577666562.db2.gz VRURXYNLPMCPGE-UHFFFAOYSA-N -1 1 327.387 2.047 10 5 EEBEMM C[C@@](CO)(NC(=O)c1ccc([O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001635619605 1352649095 /nfs/dbraw/zinc/64/90/95/1352649095.db2.gz SDPSZHBIBVSEIM-INIZCTEOSA-N -1 1 334.303 2.077 10 5 EEBEMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)c1ccccc1 ZINC000808339575 812605796 /nfs/dbraw/zinc/60/57/96/812605796.db2.gz UUWMOJIJKCPCGI-NOZJJQNGSA-N -1 1 342.398 2.057 10 5 EEBEMM Cc1nnc([N-]C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)s1 ZINC001524541328 1120162744 /nfs/dbraw/zinc/16/27/44/1120162744.db2.gz VSYAEHINOCWVET-UHFFFAOYSA-N -1 1 336.329 2.168 10 5 EEBEMM CCN(CCO)c1ncnc([N-]c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000040617851 213359173 /nfs/dbraw/zinc/35/91/73/213359173.db2.gz JMYUCQNDLWWPIZ-UHFFFAOYSA-N -1 1 339.302 2.225 10 5 EEBEMM O=C(NCCCCOCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193494763 240186976 /nfs/dbraw/zinc/18/69/76/240186976.db2.gz SBCBFOPWKMARBI-UHFFFAOYSA-N -1 1 345.355 2.422 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOc3ccccc32)s1 ZINC000064243687 462691071 /nfs/dbraw/zinc/69/10/71/462691071.db2.gz SMISQLRQOLXBGZ-JTQLQIEISA-N -1 1 340.382 2.458 10 5 EEBEMM CSCC1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000594820171 468696517 /nfs/dbraw/zinc/69/65/17/468696517.db2.gz SWENWCYVXVIVBD-UHFFFAOYSA-N -1 1 336.460 2.468 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001272342279 1190773607 /nfs/dbraw/zinc/77/36/07/1190773607.db2.gz PAAVWWAUAOOPQR-RYUDHWBXSA-N -1 1 344.327 2.237 10 5 EEBEMM CSc1ncc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC001621840635 1352374354 /nfs/dbraw/zinc/37/43/54/1352374354.db2.gz AYSYWWKRFSTXGR-UHFFFAOYSA-N -1 1 348.384 2.477 10 5 EEBEMM O=c1[nH]cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000821123958 786608420 /nfs/dbraw/zinc/60/84/20/786608420.db2.gz KEJHUVPWAAACEV-UHFFFAOYSA-N -1 1 335.750 2.211 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC3(CCC3)O2)s1 ZINC000921673036 793073183 /nfs/dbraw/zinc/07/31/83/793073183.db2.gz FEBPYXSXXAPKHE-JTQLQIEISA-N -1 1 346.430 2.426 10 5 EEBEMM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCO1 ZINC000921675091 793389405 /nfs/dbraw/zinc/38/94/05/793389405.db2.gz KMIDYGUAWITBRG-CYBMUJFWSA-N -1 1 348.808 2.486 10 5 EEBEMM CN(CCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000791419969 809238191 /nfs/dbraw/zinc/23/81/91/809238191.db2.gz VCHWTEDAQVFIBJ-UHFFFAOYSA-N -1 1 340.332 2.324 10 5 EEBEMM CC(=O)c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1[O-] ZINC001450602348 1094930782 /nfs/dbraw/zinc/93/07/82/1094930782.db2.gz DJQHRAISYTYNQL-UHFFFAOYSA-N -1 1 344.279 2.484 10 5 EEBEMM CC1(C)CCC[C@](O)(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001454690715 1107509544 /nfs/dbraw/zinc/50/95/44/1107509544.db2.gz UFROGNUQALNROH-MRXNPFEDSA-N -1 1 337.376 2.147 10 5 EEBEMM O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1n[n-]c(C(F)(F)F)n1 ZINC001535601218 1123585255 /nfs/dbraw/zinc/58/52/55/1123585255.db2.gz POTDQFHXRHANMH-UHFFFAOYSA-N -1 1 347.228 2.442 10 5 EEBEMM COC(=O)c1nsc([N-]C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC001544537264 1124156726 /nfs/dbraw/zinc/15/67/26/1124156726.db2.gz ZNOFRDVTVSNUNV-UHFFFAOYSA-N -1 1 342.720 2.139 10 5 EEBEMM O=C(Nc1cccc(-c2nnc[nH]2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130496806 304006395 /nfs/dbraw/zinc/00/63/95/304006395.db2.gz YENUNFYAUURQFV-UHFFFAOYSA-N -1 1 325.284 2.338 10 5 EEBEMM CCN1C(=O)CCc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc21 ZINC000273742359 256323151 /nfs/dbraw/zinc/32/31/51/256323151.db2.gz UWYGBJDIOIGAEY-UHFFFAOYSA-N -1 1 328.328 2.474 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190632874 152212674 /nfs/dbraw/zinc/21/26/74/152212674.db2.gz WJTUBPQITKZSLT-CKYFFXLPSA-N -1 1 346.792 2.094 10 5 EEBEMM CO[C@@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000564953669 319132176 /nfs/dbraw/zinc/13/21/76/319132176.db2.gz FMRSCIYPXGOSIO-AWEZNQCLSA-N -1 1 328.390 2.378 10 5 EEBEMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC000590742193 468321883 /nfs/dbraw/zinc/32/18/83/468321883.db2.gz QZNBCWQVYQSJHK-UHFFFAOYSA-N -1 1 342.295 2.223 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)s1 ZINC000122929105 463303030 /nfs/dbraw/zinc/30/30/30/463303030.db2.gz IXXVHHCOMOYQSC-UHFFFAOYSA-N -1 1 345.427 2.469 10 5 EEBEMM C[N@H+]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[C@H]1c1ccccc1 ZINC000248516617 464760400 /nfs/dbraw/zinc/76/04/00/464760400.db2.gz HCWQYHJPYJEJAT-NVXWUHKLSA-N -1 1 341.367 2.476 10 5 EEBEMM CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C)C1CC1 ZINC000592382506 468687336 /nfs/dbraw/zinc/68/73/36/468687336.db2.gz XTHADIBTDDEFDH-ZDUSSCGKSA-N -1 1 328.390 2.378 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC23CCOCC3)s1 ZINC000867777176 1201677451 /nfs/dbraw/zinc/67/74/51/1201677451.db2.gz QLRZXHLJBZHAFT-JTQLQIEISA-N -1 1 346.430 2.141 10 5 EEBEMM C/C(=C\C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc([N+](=O)[O-])cc1 ZINC000801704802 1236059485 /nfs/dbraw/zinc/05/94/85/1236059485.db2.gz UODYIBAGTHKORF-PBFRKCPLSA-N -1 1 337.339 2.292 10 5 EEBEMM O=C(Nc1ccc(OC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)C1CC1 ZINC001291574566 1328306752 /nfs/dbraw/zinc/30/67/52/1328306752.db2.gz KQRHGTATMQYYQV-UHFFFAOYSA-N -1 1 343.295 2.263 10 5 EEBEMM CSc1ncc(C(=O)NC[C@@H](C)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC001304194431 1331381510 /nfs/dbraw/zinc/38/15/10/1331381510.db2.gz YKQGZKPZHGEQDK-SECBINFHSA-N -1 1 348.384 2.346 10 5 EEBEMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cc(F)ccc1N(C)C ZINC001611704354 1352304021 /nfs/dbraw/zinc/30/40/21/1352304021.db2.gz YZXOWMAGDMVUKI-SECBINFHSA-N -1 1 348.334 2.392 10 5 EEBEMM O=C(CSc1cccc(O)c1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001643837154 1352753351 /nfs/dbraw/zinc/75/33/51/1352753351.db2.gz XUXJSRCJXBCHRK-UHFFFAOYSA-N -1 1 332.337 2.349 10 5 EEBEMM CSC1CCC(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC001651218428 1354044287 /nfs/dbraw/zinc/04/42/87/1354044287.db2.gz VBBAWBSQRNHNRU-UHFFFAOYSA-N -1 1 325.390 2.347 10 5 EEBEMM CCn1nccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000788215988 807436948 /nfs/dbraw/zinc/43/69/48/807436948.db2.gz DYDNFHFNVVMNIZ-UHFFFAOYSA-N -1 1 330.753 2.265 10 5 EEBEMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ncc(C)c(=O)[n-]1 ZINC001459089532 1110071224 /nfs/dbraw/zinc/07/12/24/1110071224.db2.gz FFXMDHGAINCULG-UHFFFAOYSA-N -1 1 334.357 2.438 10 5 EEBEMM Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC001538229882 1124022660 /nfs/dbraw/zinc/02/26/60/1124022660.db2.gz LXMSJYBXCUTGBB-UHFFFAOYSA-N -1 1 333.201 2.432 10 5 EEBEMM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000067951242 215257045 /nfs/dbraw/zinc/25/70/45/215257045.db2.gz HBLPCVKSGHXORR-ZETCQYMHSA-N -1 1 333.416 2.461 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@@H]2CCCC[C@H]2O)s1 ZINC000127863523 292331969 /nfs/dbraw/zinc/33/19/69/292331969.db2.gz SGSCKJHXSGZAFF-WDEREUQCSA-N -1 1 348.446 2.266 10 5 EEBEMM O=c1nc(Cn2nccc2[N+](=O)[O-])[n-]c2scc(-c3ccco3)c21 ZINC000128047106 292335004 /nfs/dbraw/zinc/33/50/04/292335004.db2.gz HXNLFERMUZFXEI-UHFFFAOYSA-N -1 1 343.324 2.398 10 5 EEBEMM CCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC000107703537 159334996 /nfs/dbraw/zinc/33/49/96/159334996.db2.gz VHOUMOSZGTWZQN-UHFFFAOYSA-N -1 1 333.416 2.154 10 5 EEBEMM O=C(NCc1nc2ccc(F)cc2[nH]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346431532 161372009 /nfs/dbraw/zinc/37/20/09/161372009.db2.gz IPHBLRUROOWGBN-UHFFFAOYSA-N -1 1 330.275 2.246 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2nccs2)C1 ZINC000114630536 462665056 /nfs/dbraw/zinc/66/50/56/462665056.db2.gz ABMKHKDLGJTXLS-VIFPVBQESA-N -1 1 334.357 2.172 10 5 EEBEMM Cc1cccc2c1OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000188259348 464237996 /nfs/dbraw/zinc/23/79/96/464237996.db2.gz KWWZNMHFTGORJA-CYBMUJFWSA-N -1 1 329.312 2.257 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]CC[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000330444498 465663376 /nfs/dbraw/zinc/66/33/76/465663376.db2.gz CKUXDRUSPGXWFI-NWDGAFQWSA-N -1 1 344.437 2.306 10 5 EEBEMM O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365207703 466745987 /nfs/dbraw/zinc/74/59/87/466745987.db2.gz XZRRHTYPTKHBNU-DOMZBBRYSA-N -1 1 343.339 2.203 10 5 EEBEMM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 ZINC000431611796 467528149 /nfs/dbraw/zinc/52/81/49/467528149.db2.gz UZSBHIJRCJASLS-XYPYZODXSA-N -1 1 330.410 2.058 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000590167846 468221268 /nfs/dbraw/zinc/22/12/68/468221268.db2.gz KLCXYJRESFOUKG-STQMWFEESA-N -1 1 333.369 2.072 10 5 EEBEMM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000600651299 468610902 /nfs/dbraw/zinc/61/09/02/468610902.db2.gz GOHAGKUIHUTRKH-AWEZNQCLSA-N -1 1 344.389 2.160 10 5 EEBEMM CCn1nccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000800930679 683395014 /nfs/dbraw/zinc/39/50/14/683395014.db2.gz QBEWHIGPNRVWSW-UHFFFAOYSA-N -1 1 330.753 2.265 10 5 EEBEMM CS[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000867675066 1201655862 /nfs/dbraw/zinc/65/58/62/1201655862.db2.gz OUFWQVGLGQPXFE-KYZUINATSA-N -1 1 336.822 2.421 10 5 EEBEMM CCC[C@]1([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCOC1 ZINC000867262640 1285054715 /nfs/dbraw/zinc/05/47/15/1285054715.db2.gz ZXFMQYPDZRHFKE-AWEZNQCLSA-N -1 1 346.380 2.280 10 5 EEBEMM COC(=O)c1ccnc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC001124680605 1310932906 /nfs/dbraw/zinc/93/29/06/1310932906.db2.gz CRBVTMMYNPHHPU-UHFFFAOYSA-N -1 1 337.238 2.307 10 5 EEBEMM O=C(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001297158474 1329947434 /nfs/dbraw/zinc/94/74/34/1329947434.db2.gz DZJOCGYRXBKUMB-UHFFFAOYSA-N -1 1 343.274 2.477 10 5 EEBEMM Cc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)c1ccc([O-])cc1O ZINC001318298620 1332503903 /nfs/dbraw/zinc/50/39/03/1332503903.db2.gz UNSGVVRARKKSRL-UHFFFAOYSA-N -1 1 331.280 2.354 10 5 EEBEMM C[C@H](COc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000920044572 770522189 /nfs/dbraw/zinc/52/21/89/770522189.db2.gz JKTAKWSHMBRJIE-SNVBAGLBSA-N -1 1 342.398 2.402 10 5 EEBEMM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1oc(C2CC2)nc1C(F)F ZINC001529747505 1121567702 /nfs/dbraw/zinc/56/77/02/1121567702.db2.gz XSVDPCOPGWQPRT-UHFFFAOYSA-N -1 1 327.247 2.384 10 5 EEBEMM O=[N+]([O-])c1ccc(CC[N-]S(=O)(=O)c2cnc(Cl)s2)cc1 ZINC000040676218 213366055 /nfs/dbraw/zinc/36/60/55/213366055.db2.gz CIVVHDUQVCIWSH-UHFFFAOYSA-N -1 1 347.805 2.226 10 5 EEBEMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000037856288 213171394 /nfs/dbraw/zinc/17/13/94/213171394.db2.gz NNEUNQTXXUBXQU-UHFFFAOYSA-N -1 1 333.322 2.005 10 5 EEBEMM CCCN(CCc1ccccn1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193468311 240175383 /nfs/dbraw/zinc/17/53/83/240175383.db2.gz WENSGZDOIVNVIA-UHFFFAOYSA-N -1 1 330.344 2.185 10 5 EEBEMM Cc1cccc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000351988199 162016035 /nfs/dbraw/zinc/01/60/35/162016035.db2.gz ZUCXLWLOVDTVAW-UHFFFAOYSA-N -1 1 341.414 2.271 10 5 EEBEMM O=C([O-])c1c(NS(=O)(=O)c2ccsc2)cccc1[N+](=O)[O-] ZINC000575769098 320113136 /nfs/dbraw/zinc/11/31/36/320113136.db2.gz AKCMRIVWQLUNDF-UHFFFAOYSA-N -1 1 328.327 2.155 10 5 EEBEMM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000594853535 468706912 /nfs/dbraw/zinc/70/69/12/468706912.db2.gz ZMFBHMCRNONWST-VHSXEESVSA-N -1 1 348.808 2.484 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]C(CC)(C2CC2)C2CC2)c([N+](=O)[O-])n1 ZINC000599395259 469241552 /nfs/dbraw/zinc/24/15/52/469241552.db2.gz AOMDLSQAVCRXEB-UHFFFAOYSA-N -1 1 342.421 2.058 10 5 EEBEMM Cc1cc(C=O)c([O-])c(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001156413795 1318000949 /nfs/dbraw/zinc/00/09/49/1318000949.db2.gz GOLWZZFDNFUGHJ-UHFFFAOYSA-N -1 1 328.324 2.394 10 5 EEBEMM COc1cc(C(=O)[N-]c2nc3ccccn3n2)c([N+](=O)[O-])cc1F ZINC001127529363 770459123 /nfs/dbraw/zinc/45/91/23/770459123.db2.gz MBSBJHFNLDQAQU-UHFFFAOYSA-N -1 1 331.263 2.038 10 5 EEBEMM Nc1ncc(C(=O)Nc2cc(F)c([O-])cc2Cl)cc1[N+](=O)[O-] ZINC001472193196 1110547774 /nfs/dbraw/zinc/54/77/74/1110547774.db2.gz PQVPMWOWZSZFAR-UHFFFAOYSA-N -1 1 326.671 2.322 10 5 EEBEMM CCOc1nc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)co1 ZINC001525390090 1120311082 /nfs/dbraw/zinc/31/10/82/1120311082.db2.gz UZBSNAZACYWKGF-UHFFFAOYSA-N -1 1 349.299 2.329 10 5 EEBEMM CN1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000367701550 283131153 /nfs/dbraw/zinc/13/11/53/283131153.db2.gz ZKHJQLDSLRIMEW-DOTOQJQBSA-N -1 1 341.367 2.476 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190632920 296504749 /nfs/dbraw/zinc/50/47/49/296504749.db2.gz WJTUBPQITKZSLT-FOGDFJRCSA-N -1 1 346.792 2.094 10 5 EEBEMM Cc1csc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)n1 ZINC000173752028 152193974 /nfs/dbraw/zinc/19/39/74/152193974.db2.gz CGYZMGBYLKMIDV-SNVBAGLBSA-N -1 1 348.384 2.480 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2)s1 ZINC000064245375 462690343 /nfs/dbraw/zinc/69/03/43/462690343.db2.gz ALGPIXMBKMUCCW-UHFFFAOYSA-N -1 1 346.361 2.153 10 5 EEBEMM COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000338958564 466523413 /nfs/dbraw/zinc/52/34/13/466523413.db2.gz SHUAEBBIHIKOAT-CYBMUJFWSA-N -1 1 347.302 2.260 10 5 EEBEMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccn1 ZINC000594793779 468688315 /nfs/dbraw/zinc/68/83/15/468688315.db2.gz CPYFPJRLKXEVGM-VIFPVBQESA-N -1 1 327.387 2.133 10 5 EEBEMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000610032177 469975510 /nfs/dbraw/zinc/97/55/10/469975510.db2.gz FJXCWRYOPCJBDZ-UHFFFAOYSA-N -1 1 348.340 2.052 10 5 EEBEMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000867608623 1201642666 /nfs/dbraw/zinc/64/26/66/1201642666.db2.gz BBWDEKROGHGDDO-NQMVMOMDSA-N -1 1 334.781 2.092 10 5 EEBEMM CSc1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)cc(=O)[n-]1 ZINC001163578754 1321161430 /nfs/dbraw/zinc/16/14/30/1321161430.db2.gz VXALCPKBJXSKQK-UHFFFAOYSA-N -1 1 334.357 2.051 10 5 EEBEMM C[S@@](=O)(=NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001305237445 1331414308 /nfs/dbraw/zinc/41/43/08/1331414308.db2.gz VCHJUTGTTJRFAY-QHCPKHFHSA-N -1 1 339.304 2.132 10 5 EEBEMM CCOC(=O)c1nc(NC(=O)c2ccccc2[N+](=O)[O-])[n-]c1Cl ZINC001535554290 1123572598 /nfs/dbraw/zinc/57/25/98/1123572598.db2.gz KZKCEUSBPWIXMM-UHFFFAOYSA-N -1 1 338.707 2.400 10 5 EEBEMM O=C(c1cnncc1[O-])N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001569298491 1125217289 /nfs/dbraw/zinc/21/72/89/1125217289.db2.gz FYOPPWZUILVSPL-GFCCVEGCSA-N -1 1 328.328 2.110 10 5 EEBEMM CCCc1ncc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])o1 ZINC000451962653 243326675 /nfs/dbraw/zinc/32/66/75/243326675.db2.gz XHAPUPTWMMSOMG-UHFFFAOYSA-N -1 1 339.373 2.322 10 5 EEBEMM CC(F)(F)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000297001851 294125959 /nfs/dbraw/zinc/12/59/59/294125959.db2.gz JOVHMZLHDNGKML-UHFFFAOYSA-N -1 1 326.296 2.448 10 5 EEBEMM Cc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000159744307 311345745 /nfs/dbraw/zinc/34/57/45/311345745.db2.gz HJBIOFUVXXJFPD-UHFFFAOYSA-N -1 1 326.399 2.486 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000574545894 320035488 /nfs/dbraw/zinc/03/54/88/320035488.db2.gz GTPNATLFDXDDFP-UHFFFAOYSA-N -1 1 335.332 2.092 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1O ZINC000121304709 463113672 /nfs/dbraw/zinc/11/36/72/463113672.db2.gz JBFCOPFUKMNBSK-CABZTGNLSA-N -1 1 348.808 2.078 10 5 EEBEMM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594478133 468600643 /nfs/dbraw/zinc/60/06/43/468600643.db2.gz DGQQMYAFOVXJDD-VIFPVBQESA-N -1 1 336.435 2.386 10 5 EEBEMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC(C)(C(=O)[O-])CC1 ZINC000592399124 468690544 /nfs/dbraw/zinc/69/05/44/468690544.db2.gz NWIJQJVJNHWSDL-LLVKDONJSA-N -1 1 335.360 2.109 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c(F)cc1[N+](=O)[O-] ZINC000601471685 468889091 /nfs/dbraw/zinc/88/90/91/468889091.db2.gz GMATXVXNIOFWGT-MRVPVSSYSA-N -1 1 338.307 2.366 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCCO2)s1 ZINC000601517037 468903656 /nfs/dbraw/zinc/90/36/56/468903656.db2.gz OEROJVBTAOWPBA-GXFFZTMASA-N -1 1 346.430 2.282 10 5 EEBEMM COC(=O)c1cnc([N-]c2cnn(-c3ccncc3)c2)c([N+](=O)[O-])c1 ZINC000616176969 469390208 /nfs/dbraw/zinc/39/02/08/469390208.db2.gz TWJLYIQVSATXBV-UHFFFAOYSA-N -1 1 340.299 2.101 10 5 EEBEMM CC(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262653 469996656 /nfs/dbraw/zinc/99/66/56/469996656.db2.gz GAYYKOFOFOZLBU-NWDGAFQWSA-N -1 1 327.406 2.483 10 5 EEBEMM CC(C)(C)n1cnc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)n1 ZINC000753187916 577782926 /nfs/dbraw/zinc/78/29/26/577782926.db2.gz FYEVDXLNNAHWAE-UHFFFAOYSA-N -1 1 325.275 2.472 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)c([N+](=O)[O-])s1 ZINC000866468502 1201524913 /nfs/dbraw/zinc/52/49/13/1201524913.db2.gz FVQDHCUOPLTDST-ZCFIWIBFSA-N -1 1 345.229 2.437 10 5 EEBEMM O=C([N-]c1ncn(Cc2cccnc2)n1)c1cc(F)ccc1[N+](=O)[O-] ZINC001251468716 1317464120 /nfs/dbraw/zinc/46/41/20/1317464120.db2.gz TTWNZUDWOSKVNV-UHFFFAOYSA-N -1 1 342.290 2.021 10 5 EEBEMM CCC(CC)(NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC001297487683 1329976115 /nfs/dbraw/zinc/97/61/15/1329976115.db2.gz LQSHVPKWKWDVIU-UHFFFAOYSA-N -1 1 338.755 2.207 10 5 EEBEMM CSc1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2C)cc(=O)[n-]1 ZINC001299999492 1330169948 /nfs/dbraw/zinc/16/99/48/1330169948.db2.gz XYOFOCWFPOUMCE-UHFFFAOYSA-N -1 1 334.357 2.051 10 5 EEBEMM CC(C)O[C@]1(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCOC1 ZINC001327132822 1334231184 /nfs/dbraw/zinc/23/11/84/1334231184.db2.gz DXUAXWUESIUJOT-OAHLLOKOSA-N -1 1 325.317 2.041 10 5 EEBEMM CSc1ncc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c(=O)[n-]1 ZINC001623967860 1352410292 /nfs/dbraw/zinc/41/02/92/1352410292.db2.gz GXTLUNUGZNKCRC-UHFFFAOYSA-N -1 1 346.368 2.324 10 5 EEBEMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc([O-])c1F ZINC001626321718 1352459725 /nfs/dbraw/zinc/45/97/25/1352459725.db2.gz CPYAJEGOFGFIAI-UHFFFAOYSA-N -1 1 330.275 2.246 10 5 EEBEMM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000817145749 784537725 /nfs/dbraw/zinc/53/77/25/784537725.db2.gz MDXZWVKDQAAQPI-WDEREUQCSA-N -1 1 348.808 2.484 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC1(CO)CCC1 ZINC000846019476 790023771 /nfs/dbraw/zinc/02/37/71/790023771.db2.gz SXWUFJABRSQQRU-UHFFFAOYSA-N -1 1 348.808 2.079 10 5 EEBEMM C[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C2(CCCCC2)C1 ZINC001148007136 792095692 /nfs/dbraw/zinc/09/56/92/792095692.db2.gz YQSHXZJFJQLEBL-UHFFFAOYSA-N -1 1 333.388 2.391 10 5 EEBEMM CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])C2(CCCCC2)C1 ZINC001148007136 792095700 /nfs/dbraw/zinc/09/57/00/792095700.db2.gz YQSHXZJFJQLEBL-UHFFFAOYSA-N -1 1 333.388 2.391 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000193698203 240272062 /nfs/dbraw/zinc/27/20/62/240272062.db2.gz DYGVHJACBGCDJI-YPMHNXCESA-N -1 1 347.327 2.017 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)s1 ZINC000451831328 243287024 /nfs/dbraw/zinc/28/70/24/243287024.db2.gz ZJZVLHVZLPMSSS-ZETCQYMHSA-N -1 1 326.346 2.370 10 5 EEBEMM CC(=O)N(CCC[N-]C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000005480882 210472455 /nfs/dbraw/zinc/47/24/55/210472455.db2.gz KLXMCOCMJGBHGB-UHFFFAOYSA-N -1 1 333.266 2.016 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCC[C@H]2O)s1 ZINC000127863759 292331923 /nfs/dbraw/zinc/33/19/23/292331923.db2.gz SGSCKJHXSGZAFF-GHMZBOCLSA-N -1 1 348.446 2.266 10 5 EEBEMM CCOc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000188430209 160123335 /nfs/dbraw/zinc/12/33/35/160123335.db2.gz YXVHIEUHLXWDLJ-UHFFFAOYSA-N -1 1 335.291 2.163 10 5 EEBEMM C[C@@H]1CCC[C@H](CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525689326 317067366 /nfs/dbraw/zinc/06/73/66/317067366.db2.gz QPWZOSUKKJTAJN-VXGBXAGGSA-N -1 1 327.406 2.485 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])n1 ZINC000339040302 465044064 /nfs/dbraw/zinc/04/40/64/465044064.db2.gz GOWQSXXGQFJOQA-NEPJUHHUSA-N -1 1 344.437 2.304 10 5 EEBEMM CCN1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000146970536 463390141 /nfs/dbraw/zinc/39/01/41/463390141.db2.gz DXOIBJCEUZDZNP-SNVBAGLBSA-N -1 1 347.824 2.011 10 5 EEBEMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCCO1 ZINC000594489346 468607142 /nfs/dbraw/zinc/60/71/42/468607142.db2.gz ZHVQUMNQCGZYGC-ZJUUUORDSA-N -1 1 334.419 2.282 10 5 EEBEMM C[C@H]1CC(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H](C)C1 ZINC000594818550 468696538 /nfs/dbraw/zinc/69/65/38/468696538.db2.gz LOBZEAJNXATTFR-GHMZBOCLSA-N -1 1 327.406 2.340 10 5 EEBEMM Cc1ccc(CC2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000598773431 468999418 /nfs/dbraw/zinc/99/94/18/468999418.db2.gz QVJSOTLSWUNDMS-UHFFFAOYSA-N -1 1 327.340 2.319 10 5 EEBEMM Cc1noc([C@@H]2CCCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)n1 ZINC000593735777 469116490 /nfs/dbraw/zinc/11/64/90/469116490.db2.gz WZYCFRXOVVNCJZ-GFCCVEGCSA-N -1 1 346.343 2.364 10 5 EEBEMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599459239 469264663 /nfs/dbraw/zinc/26/46/63/469264663.db2.gz FIBQOQRPDJXLKA-JXVAYASWSA-N -1 1 348.808 2.338 10 5 EEBEMM CC1(C(=O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000599472233 469268352 /nfs/dbraw/zinc/26/83/52/469268352.db2.gz FIIQEYYPTKJBHF-UHFFFAOYSA-N -1 1 332.403 2.084 10 5 EEBEMM CCC[C@H](NC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000752528208 577772254 /nfs/dbraw/zinc/77/22/54/577772254.db2.gz KRTUQXROUHDQPG-XPSMFNQNSA-N -1 1 330.348 2.169 10 5 EEBEMM O=C1CC[C@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CN1CC1CCC1 ZINC000856557702 1293566319 /nfs/dbraw/zinc/56/63/19/1293566319.db2.gz VEPKEMOPELFCOA-NSHDSACASA-N -1 1 345.359 2.479 10 5 EEBEMM CCC(CC)(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC001297487326 1329975888 /nfs/dbraw/zinc/97/58/88/1329975888.db2.gz IRBRPGZCSFYLII-UHFFFAOYSA-N -1 1 338.755 2.207 10 5 EEBEMM CC(C)CN(Cc1nn[n-]n1)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC001593759047 1349872687 /nfs/dbraw/zinc/87/26/87/1349872687.db2.gz PEFCNBQPPQNCIP-UHFFFAOYSA-N -1 1 346.391 2.070 10 5 EEBEMM Cc1csc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)n1 ZINC001654800624 1354158783 /nfs/dbraw/zinc/15/87/83/1354158783.db2.gz OBKHPRQLENOVMJ-VIFPVBQESA-N -1 1 334.357 2.090 10 5 EEBEMM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1Cl ZINC000040414204 213300773 /nfs/dbraw/zinc/30/07/73/213300773.db2.gz QKFNQSQJBCACAI-UHFFFAOYSA-N -1 1 330.753 2.389 10 5 EEBEMM Cc1cccc2nc(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])[nH]c21 ZINC000130659627 292377079 /nfs/dbraw/zinc/37/70/79/292377079.db2.gz LLYRRLQARXAEIM-UHFFFAOYSA-N -1 1 326.312 2.415 10 5 EEBEMM COCC(C)(C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000344907339 161255186 /nfs/dbraw/zinc/25/51/86/161255186.db2.gz HYMQUUGBZFEYGF-UHFFFAOYSA-N -1 1 336.435 2.387 10 5 EEBEMM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000295175961 464733576 /nfs/dbraw/zinc/73/35/76/464733576.db2.gz BEWIWSLOQOVFQY-NSHDSACASA-N -1 1 334.781 2.094 10 5 EEBEMM C[C@@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1(F)F ZINC000594855904 468707871 /nfs/dbraw/zinc/70/78/71/468707871.db2.gz CTJZTFVRHUVRHM-SECBINFHSA-N -1 1 326.346 2.370 10 5 EEBEMM C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000595378211 468831445 /nfs/dbraw/zinc/83/14/45/468831445.db2.gz XCFBAZXWKLOVEZ-LLVKDONJSA-N -1 1 327.406 2.485 10 5 EEBEMM CCOc1cc(C(=O)[N-]c2ncn(C(C)C)n2)c([N+](=O)[O-])cc1OC ZINC000593229453 468910270 /nfs/dbraw/zinc/91/02/70/468910270.db2.gz HIWUBKRVPZEYEF-UHFFFAOYSA-N -1 1 349.347 2.427 10 5 EEBEMM COC(=O)c1cc(C)nc([N-]c2cnn(CC3CC3)c2)c1[N+](=O)[O-] ZINC000587988990 469098579 /nfs/dbraw/zinc/09/85/79/469098579.db2.gz XAYWWSXWFJGTTN-UHFFFAOYSA-N -1 1 331.332 2.435 10 5 EEBEMM CC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000599207955 469164643 /nfs/dbraw/zinc/16/46/43/469164643.db2.gz XINSWFNDFBZJHX-GFCCVEGCSA-N -1 1 338.389 2.066 10 5 EEBEMM Cc1c(NC(=O)[C@H](C)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000563127462 469177225 /nfs/dbraw/zinc/17/72/25/469177225.db2.gz XQMCUNOUCQPBOI-WXHSDQCUSA-N -1 1 349.387 2.273 10 5 EEBEMM COc1cnc([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2)[n-]c1=O ZINC001158517691 1319281629 /nfs/dbraw/zinc/28/16/29/1319281629.db2.gz YFKQODWXZOKISH-LBPRGKRZSA-N -1 1 344.327 2.076 10 5 EEBEMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001298674470 1330110486 /nfs/dbraw/zinc/11/04/86/1330110486.db2.gz ZWHGHXCZQSDCSV-UHFFFAOYSA-N -1 1 341.121 2.347 10 5 EEBEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001176593105 798490468 /nfs/dbraw/zinc/49/04/68/798490468.db2.gz CCIFSWYORCKIGF-UHFFFAOYSA-N -1 1 338.755 2.060 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](OC2CCC2)CC1 ZINC001471249345 1110519743 /nfs/dbraw/zinc/51/97/43/1110519743.db2.gz BOESNSMMXLDKPH-CYBMUJFWSA-N -1 1 335.360 2.259 10 5 EEBEMM Nc1cc(CCCCNC(=O)c2cccc([N+](=O)[O-])c2[O-])ccn1 ZINC001472458489 1110557083 /nfs/dbraw/zinc/55/70/83/1110557083.db2.gz GVAZPJSVKAPGDL-UHFFFAOYSA-N -1 1 330.344 2.030 10 5 EEBEMM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC001543590711 1124132101 /nfs/dbraw/zinc/13/21/01/1124132101.db2.gz DKLFOTRXUXVWAW-UHFFFAOYSA-N -1 1 327.300 2.281 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000193698180 240273139 /nfs/dbraw/zinc/27/31/39/240273139.db2.gz DYGVHJACBGCDJI-AAEUAGOBSA-N -1 1 347.327 2.017 10 5 EEBEMM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000343066681 161099804 /nfs/dbraw/zinc/09/98/04/161099804.db2.gz HOZWXKNVMBQIQX-ZDUSSCGKSA-N -1 1 329.312 2.176 10 5 EEBEMM CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])n[nH]1 ZINC000355333060 163148079 /nfs/dbraw/zinc/14/80/79/163148079.db2.gz HCZANSAJZNUQPX-RKDXNWHRSA-N -1 1 333.348 2.423 10 5 EEBEMM COc1ccccc1-c1nc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000531644039 448122790 /nfs/dbraw/zinc/12/27/90/448122790.db2.gz KBUAQFJZMMNAKI-UHFFFAOYSA-N -1 1 340.299 2.036 10 5 EEBEMM Cc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3cccc(Cl)c3)n2)c1[N+](=O)[O-] ZINC000072290198 463500122 /nfs/dbraw/zinc/50/01/22/463500122.db2.gz IYZNWHXEEMIUMD-UHFFFAOYSA-N -1 1 347.722 2.317 10 5 EEBEMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCc2ccccc21 ZINC000593853848 468409882 /nfs/dbraw/zinc/40/98/82/468409882.db2.gz GGQSAMASUQOAFO-NSHDSACASA-N -1 1 327.340 2.497 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)s1 ZINC000594491261 468607767 /nfs/dbraw/zinc/60/77/67/468607767.db2.gz OGUNZXJISLNEBV-JTQLQIEISA-N -1 1 346.430 2.426 10 5 EEBEMM O=C(N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600839658 468668880 /nfs/dbraw/zinc/66/88/80/468668880.db2.gz WXRPQASBTRADSC-ZLKJLUDKSA-N -1 1 345.742 2.417 10 5 EEBEMM CC1(C)CCC(O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000595352907 468822749 /nfs/dbraw/zinc/82/27/49/468822749.db2.gz MVQLLQRFVDXTBW-UHFFFAOYSA-N -1 1 348.446 2.266 10 5 EEBEMM CCC([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])(C1CC1)C1CC1 ZINC000599396655 469242692 /nfs/dbraw/zinc/24/26/92/469242692.db2.gz WQLVSLFRIDSGJX-UHFFFAOYSA-N -1 1 325.390 2.237 10 5 EEBEMM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCCO1 ZINC000867684866 1201658930 /nfs/dbraw/zinc/65/89/30/1201658930.db2.gz VVXZOFVUAJBACV-SECBINFHSA-N -1 1 334.419 2.282 10 5 EEBEMM CSc1nc(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc(=O)[n-]1 ZINC001452478624 1105506595 /nfs/dbraw/zinc/50/65/95/1105506595.db2.gz JCYTZNZTKAJHGR-UHFFFAOYSA-N -1 1 348.384 2.359 10 5 EEBEMM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cc(-c2ccc(F)cc2)no1 ZINC001459299511 1110138494 /nfs/dbraw/zinc/13/84/94/1110138494.db2.gz PFBUUEDJEWBOAQ-UHFFFAOYSA-N -1 1 331.263 2.375 10 5 EEBEMM CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)[N-]c1nnc(C)s1 ZINC001542193259 1124111154 /nfs/dbraw/zinc/11/11/54/1124111154.db2.gz HBTDHVVGSYHQGF-UHFFFAOYSA-N -1 1 339.308 2.105 10 5 EEBEMM Cc1cccnc1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451808581 243273470 /nfs/dbraw/zinc/27/34/70/243273470.db2.gz KGWLAGQFAWQBTB-UHFFFAOYSA-N -1 1 341.414 2.271 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249960809 160386803 /nfs/dbraw/zinc/38/68/03/160386803.db2.gz WJTUBPQITKZSLT-HOSYDEDBSA-N -1 1 346.792 2.094 10 5 EEBEMM C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000190376012 160159005 /nfs/dbraw/zinc/15/90/05/160159005.db2.gz WWHXDESPJBNRBN-CYBMUJFWSA-N -1 1 348.446 2.266 10 5 EEBEMM COc1ccc(OC)c([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000274894378 269070955 /nfs/dbraw/zinc/07/09/55/269070955.db2.gz NALXULJLLLFUQL-SECBINFHSA-N -1 1 347.327 2.204 10 5 EEBEMM CN(C)[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1cccs1 ZINC000280876454 269396344 /nfs/dbraw/zinc/39/63/44/269396344.db2.gz YUHUJFJUVNZUTF-LLVKDONJSA-N -1 1 335.385 2.395 10 5 EEBEMM CN(C)[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000345649574 276825448 /nfs/dbraw/zinc/82/54/48/276825448.db2.gz VIHBODDAGLZVFH-INIZCTEOSA-N -1 1 347.346 2.472 10 5 EEBEMM C[C@@H]1CN(CCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000580556217 324087599 /nfs/dbraw/zinc/08/75/99/324087599.db2.gz IDEIVDHSZZCCOP-VXGBXAGGSA-N -1 1 337.376 2.204 10 5 EEBEMM O=[N+]([O-])c1cccc(CS(=O)(=O)c2nc(-c3ccccc3)n[n-]2)c1 ZINC000579794215 468410307 /nfs/dbraw/zinc/41/03/07/468410307.db2.gz SRTVNOCXBOARLF-UHFFFAOYSA-N -1 1 344.352 2.354 10 5 EEBEMM O=[N+]([O-])c1cccc(CS(=O)(=O)c2n[n-]c(-c3ccccc3)n2)c1 ZINC000579794215 468410313 /nfs/dbraw/zinc/41/03/13/468410313.db2.gz SRTVNOCXBOARLF-UHFFFAOYSA-N -1 1 344.352 2.354 10 5 EEBEMM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cncc([O-])c1 ZINC000570612198 468663477 /nfs/dbraw/zinc/66/34/77/468663477.db2.gz QUDXGVZVYHBBBA-UHFFFAOYSA-N -1 1 326.312 2.149 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)c(F)cc1[N+](=O)[O-] ZINC000601464300 468885995 /nfs/dbraw/zinc/88/59/95/468885995.db2.gz KJPHTIGPCFSSMH-NSHDSACASA-N -1 1 338.307 2.366 10 5 EEBEMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc4c(c3)OCCO4)no2)[n-]1 ZINC000612893895 469573325 /nfs/dbraw/zinc/57/33/25/469573325.db2.gz KPRKOFNTQBAAKE-UHFFFAOYSA-N -1 1 328.284 2.335 10 5 EEBEMM O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000800581988 1234330731 /nfs/dbraw/zinc/33/07/31/1234330731.db2.gz PCGXMTMBJZHRKP-GFCCVEGCSA-N -1 1 333.731 2.246 10 5 EEBEMM CCC[C@@]1([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCOC1 ZINC000867262641 1285055383 /nfs/dbraw/zinc/05/53/83/1285055383.db2.gz ZXFMQYPDZRHFKE-CQSZACIVSA-N -1 1 346.380 2.280 10 5 EEBEMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000854564553 1292853747 /nfs/dbraw/zinc/85/37/47/1292853747.db2.gz XFWYSTJWXDWNSB-XHDPSFHLSA-N -1 1 345.355 2.280 10 5 EEBEMM C[C@]1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCOC2(CCC2)C1 ZINC001611660119 1352303658 /nfs/dbraw/zinc/30/36/58/1352303658.db2.gz DDCJMNJPTBREMG-HNNXBMFYSA-N -1 1 335.360 2.165 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)s1 ZINC000429910274 241835856 /nfs/dbraw/zinc/83/58/56/241835856.db2.gz NJJUOWDSBIJAIA-SSDOTTSWSA-N -1 1 326.346 2.370 10 5 EEBEMM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000175626690 255858524 /nfs/dbraw/zinc/85/85/24/255858524.db2.gz NXNWABHUAZAYLT-ZETCQYMHSA-N -1 1 333.416 2.461 10 5 EEBEMM Cc1cc([N+](=O)[O-])ccc1C(=O)NCCc1n[n-]c(=S)n1C1CC1 ZINC000067078371 159006883 /nfs/dbraw/zinc/00/68/83/159006883.db2.gz ZHEARZYKWIKZFF-UHFFFAOYSA-N -1 1 347.400 2.465 10 5 EEBEMM CN(C)Cc1cc(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])ccc1F ZINC000343453453 161137664 /nfs/dbraw/zinc/13/76/64/161137664.db2.gz OKTHYNPTZRBFAC-UHFFFAOYSA-N -1 1 347.346 2.431 10 5 EEBEMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000345613992 161316388 /nfs/dbraw/zinc/31/63/88/161316388.db2.gz SCZMURFSLHEIJZ-SNVBAGLBSA-N -1 1 326.296 2.460 10 5 EEBEMM C[C@@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525689323 317067725 /nfs/dbraw/zinc/06/77/25/317067725.db2.gz QPWZOSUKKJTAJN-NEPJUHHUSA-N -1 1 327.406 2.485 10 5 EEBEMM O=C(N[C@H](c1nccs1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356847416 465573402 /nfs/dbraw/zinc/57/34/02/465573402.db2.gz ZYQPGYCQGRSSDT-SSDOTTSWSA-N -1 1 348.262 2.185 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]CC[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000330444495 465664129 /nfs/dbraw/zinc/66/41/29/465664129.db2.gz CKUXDRUSPGXWFI-NEPJUHHUSA-N -1 1 344.437 2.306 10 5 EEBEMM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365791952 466940526 /nfs/dbraw/zinc/94/05/26/466940526.db2.gz DKXAZFNPNKLNSI-HIFRSBDPSA-N -1 1 343.339 2.346 10 5 EEBEMM O=C([O-])[C@@H]1c2ccoc2CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000600672977 468616807 /nfs/dbraw/zinc/61/68/07/468616807.db2.gz ASQLYTKVCRJUKS-HNNXBMFYSA-N -1 1 332.312 2.251 10 5 EEBEMM O=C([O-])[C@@H]1c2ccoc2CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000600672977 468616809 /nfs/dbraw/zinc/61/68/09/468616809.db2.gz ASQLYTKVCRJUKS-HNNXBMFYSA-N -1 1 332.312 2.251 10 5 EEBEMM CCC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599205298 469163023 /nfs/dbraw/zinc/16/30/23/469163023.db2.gz KLUWJZDSRQRHMA-GFCCVEGCSA-N -1 1 338.389 2.148 10 5 EEBEMM C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000599204363 469163292 /nfs/dbraw/zinc/16/32/92/469163292.db2.gz MUPJROAASQSXDV-MRVPVSSYSA-N -1 1 344.780 2.021 10 5 EEBEMM O=C(Nc1c([O-])cccc1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000610339856 470005595 /nfs/dbraw/zinc/00/55/95/470005595.db2.gz WZDJEBAPFFIMCV-UHFFFAOYSA-N -1 1 343.274 2.273 10 5 EEBEMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000761975846 577692648 /nfs/dbraw/zinc/69/26/48/577692648.db2.gz LWZSTQWQTZHUND-UHFFFAOYSA-N -1 1 330.296 2.298 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001272342277 1190773599 /nfs/dbraw/zinc/77/35/99/1190773599.db2.gz PAAVWWAUAOOPQR-NWDGAFQWSA-N -1 1 344.327 2.237 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)n1 ZINC001272342276 1190773648 /nfs/dbraw/zinc/77/36/48/1190773648.db2.gz PAAVWWAUAOOPQR-NEPJUHHUSA-N -1 1 344.327 2.237 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC001137177520 1201854642 /nfs/dbraw/zinc/85/46/42/1201854642.db2.gz QNENOESWDWAHMN-NWDGAFQWSA-N -1 1 333.344 2.059 10 5 EEBEMM COc1cnc([C@@H]2CCCN2c2ncc(C)cc2[N+](=O)[O-])[n-]c1=O ZINC001164304032 1321344877 /nfs/dbraw/zinc/34/48/77/1321344877.db2.gz ZFWOAVOPCQYDCR-JTQLQIEISA-N -1 1 331.332 2.144 10 5 EEBEMM Cc1ccc2[nH]cc(CCNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2c1 ZINC001305273822 1331422131 /nfs/dbraw/zinc/42/21/31/1331422131.db2.gz ARIGJVKWKPSIKE-UHFFFAOYSA-N -1 1 340.339 2.458 10 5 EEBEMM Cc1ccc([N+](=O)[O-])c(C(=O)N(Cc2nn[n-]n2)CC(C)C)c1C ZINC001558163590 1342467298 /nfs/dbraw/zinc/46/72/98/1342467298.db2.gz UIZJFCNWKDJXSU-UHFFFAOYSA-N -1 1 332.364 2.023 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1COCC[C@@H]1c1ccccc1 ZINC001597935930 1349933869 /nfs/dbraw/zinc/93/38/69/1349933869.db2.gz BXUMQXHEMJMXQB-CYBMUJFWSA-N -1 1 329.312 2.257 10 5 EEBEMM O=C([N-]n1ccccc1=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001648688526 1353439033 /nfs/dbraw/zinc/43/90/33/1353439033.db2.gz IIARRCALSZFGDQ-UHFFFAOYSA-N -1 1 327.218 2.159 10 5 EEBEMM C[C@]1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CN2CCC1CC2 ZINC001146873965 791573510 /nfs/dbraw/zinc/57/35/10/791573510.db2.gz NPLANZLJMPXPDT-HNNXBMFYSA-N -1 1 339.779 2.168 10 5 EEBEMM CCC1(CC)[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@H](C)[C@@H]1OC ZINC001457734142 1109748835 /nfs/dbraw/zinc/74/88/35/1109748835.db2.gz HSHDQRPDHFKJTE-BIMULSAOSA-N -1 1 337.376 2.265 10 5 EEBEMM CCOC(=O)C(C)(C)O[N-]C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001469541452 1110492460 /nfs/dbraw/zinc/49/24/60/1110492460.db2.gz PIJRLAZBNPRXTG-UHFFFAOYSA-N -1 1 342.323 2.056 10 5 EEBEMM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000052288882 214123878 /nfs/dbraw/zinc/12/38/78/214123878.db2.gz BPAPYLCYHCFEPG-HTRCEHHLSA-N -1 1 335.179 2.044 10 5 EEBEMM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000451814061 243275637 /nfs/dbraw/zinc/27/56/37/243275637.db2.gz FTWJCRDPMXIZPZ-MNOVXSKESA-N -1 1 348.446 2.386 10 5 EEBEMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000165172777 463640462 /nfs/dbraw/zinc/64/04/62/463640462.db2.gz JCAJMGHWUHRCHO-UHFFFAOYSA-N -1 1 349.368 2.111 10 5 EEBEMM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188277701 464242965 /nfs/dbraw/zinc/24/29/65/464242965.db2.gz VLBROOGHYOKTRG-XHDPSFHLSA-N -1 1 343.339 2.298 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC000593897865 468426900 /nfs/dbraw/zinc/42/69/00/468426900.db2.gz JSCXSATXUWOZKA-UHFFFAOYSA-N -1 1 349.240 2.202 10 5 EEBEMM COC(=O)CCS(=O)(=O)[N-]c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000357094480 465768065 /nfs/dbraw/zinc/76/80/65/465768065.db2.gz YGNDIFOGMMTWOM-UHFFFAOYSA-N -1 1 344.389 2.197 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)s1 ZINC000594475219 468599463 /nfs/dbraw/zinc/59/94/63/468599463.db2.gz SXOCAQYWWMXFDS-ZWNOBZJWSA-N -1 1 346.430 2.282 10 5 EEBEMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(Cc1nn[n-]n1)CC(C)C ZINC001455322392 1108433046 /nfs/dbraw/zinc/43/30/46/1108433046.db2.gz NHJVBAYNCLRLOQ-UHFFFAOYSA-N -1 1 346.391 2.332 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000274184037 256361747 /nfs/dbraw/zinc/36/17/47/256361747.db2.gz JQOCVCWWKPOTJZ-UHFFFAOYSA-N -1 1 337.361 2.090 10 5 EEBEMM CCc1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC000102413160 159264505 /nfs/dbraw/zinc/26/45/05/159264505.db2.gz WLCYVGOWRMFVKT-UHFFFAOYSA-N -1 1 347.443 2.196 10 5 EEBEMM CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])n[nH]1 ZINC000355333057 163148966 /nfs/dbraw/zinc/14/89/66/163148966.db2.gz HCZANSAJZNUQPX-BDAKNGLRSA-N -1 1 333.348 2.423 10 5 EEBEMM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000194015887 463773232 /nfs/dbraw/zinc/77/32/32/463773232.db2.gz QKGFPJIDRXJSSX-VIFPVBQESA-N -1 1 347.375 2.446 10 5 EEBEMM Cc1nc(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)sc1C ZINC000340091871 465759256 /nfs/dbraw/zinc/75/92/56/465759256.db2.gz PJRCMAOVKIJKMR-UHFFFAOYSA-N -1 1 341.414 2.189 10 5 EEBEMM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1(F)F ZINC000595351500 468821315 /nfs/dbraw/zinc/82/13/15/468821315.db2.gz UIXLTDRAZMBJHZ-JTQLQIEISA-N -1 1 338.307 2.304 10 5 EEBEMM CN(C[C@H]1CCc2ccccc21)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598775508 468999987 /nfs/dbraw/zinc/99/99/87/468999987.db2.gz FVZPAGVBXWXUMR-GFCCVEGCSA-N -1 1 327.340 2.497 10 5 EEBEMM O=C(NC[C@H]1C[C@@H]1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001648800033 1176567506 /nfs/dbraw/zinc/56/75/06/1176567506.db2.gz ZVKVKLXDCNTPRT-QWHCGFSZSA-N -1 1 327.340 2.304 10 5 EEBEMM COc1ccc(C[C@H]2CCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001137254376 1204638750 /nfs/dbraw/zinc/63/87/50/1204638750.db2.gz WMKLEXHLLGSCDC-CYBMUJFWSA-N -1 1 343.339 2.161 10 5 EEBEMM Cc1csc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000119705555 1229584583 /nfs/dbraw/zinc/58/45/83/1229584583.db2.gz YGLGVNUJTKRLKJ-ZETCQYMHSA-N -1 1 333.416 2.461 10 5 EEBEMM CSC1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCCC1 ZINC001155561972 1317652534 /nfs/dbraw/zinc/65/25/34/1317652534.db2.gz NFUTZSGEEBXHCV-UHFFFAOYSA-N -1 1 325.390 2.491 10 5 EEBEMM Cc1ccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)c(N)c1[N+](=O)[O-] ZINC001158230958 1319100555 /nfs/dbraw/zinc/10/05/55/1319100555.db2.gz DIVQFLMGTLWMJC-UHFFFAOYSA-N -1 1 344.356 2.069 10 5 EEBEMM Cc1ncc([N+](=O)[O-])cc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001304013188 1331373524 /nfs/dbraw/zinc/37/35/24/1331373524.db2.gz HEDQTMANSMOVGC-UHFFFAOYSA-N -1 1 337.282 2.255 10 5 EEBEMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cc(F)ccc1N(C)C ZINC001611704355 1352303807 /nfs/dbraw/zinc/30/38/07/1352303807.db2.gz YZXOWMAGDMVUKI-VIFPVBQESA-N -1 1 348.334 2.392 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1COCC[C@H]1c1ccccc1 ZINC001597935932 1349933997 /nfs/dbraw/zinc/93/39/97/1349933997.db2.gz BXUMQXHEMJMXQB-ZDUSSCGKSA-N -1 1 329.312 2.257 10 5 EEBEMM Cc1c(NC(=O)c2ccc3n[n-]c(=S)n3c2)cccc1[N+](=O)[O-] ZINC001628285076 1352528785 /nfs/dbraw/zinc/52/87/85/1352528785.db2.gz YHHRXFRZCGLKLN-UHFFFAOYSA-N -1 1 329.341 2.487 10 5 EEBEMM O=C([N-]Cc1nccnc1Cl)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001635125440 1352641203 /nfs/dbraw/zinc/64/12/03/1352641203.db2.gz MOGMCYWPIABSJT-UHFFFAOYSA-N -1 1 342.689 2.446 10 5 EEBEMM C[C@]1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCOc2ccccc21 ZINC001645264776 1352774533 /nfs/dbraw/zinc/77/45/33/1352774533.db2.gz BHXYAMPZBJRBPM-INIZCTEOSA-N -1 1 329.312 2.123 10 5 EEBEMM COc1cnc([C@@H]2CCCN2c2cc(C)c([N+](=O)[O-])cn2)[n-]c1=O ZINC001651494869 1354055208 /nfs/dbraw/zinc/05/52/08/1354055208.db2.gz DBOIYJGJIJRLTI-JTQLQIEISA-N -1 1 331.332 2.144 10 5 EEBEMM O=C(CSc1ccccc1O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001652640852 1354098325 /nfs/dbraw/zinc/09/83/25/1354098325.db2.gz KXEWQPVDACPRLR-UHFFFAOYSA-N -1 1 332.337 2.349 10 5 EEBEMM CC(=O)CCCCC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC001663337236 1354950384 /nfs/dbraw/zinc/95/03/84/1354950384.db2.gz VMCFBNVKKPBDJG-UHFFFAOYSA-N -1 1 346.380 2.470 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1C[C@H]1C1CC1 ZINC000920850329 770884860 /nfs/dbraw/zinc/88/48/60/770884860.db2.gz WBZSFDWYVPLOEI-MNOVXSKESA-N -1 1 328.365 2.448 10 5 EEBEMM CSc1ncc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC001136171739 785341815 /nfs/dbraw/zinc/34/18/15/785341815.db2.gz ACMJFTZZJIQEPB-UHFFFAOYSA-N -1 1 334.357 2.085 10 5 EEBEMM CN1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC12CCCCC2 ZINC000908570779 785535477 /nfs/dbraw/zinc/53/54/77/785535477.db2.gz MXVHDIQDXUAEME-UHFFFAOYSA-N -1 1 333.388 2.391 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](Cc2nccs2)C1 ZINC001178148623 799300090 /nfs/dbraw/zinc/30/00/90/799300090.db2.gz YFUYRLHOIMCGMX-SNVBAGLBSA-N -1 1 348.384 2.247 10 5 EEBEMM COc1ccc(C(=O)Nc2nc3c(c(=O)[n-]2)CCCC3)cc1[N+](=O)[O-] ZINC001129758915 810984892 /nfs/dbraw/zinc/98/48/92/810984892.db2.gz YKYAAERQXFCYKE-UHFFFAOYSA-N -1 1 344.327 2.230 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000193698192 240272965 /nfs/dbraw/zinc/27/29/65/240272965.db2.gz DYGVHJACBGCDJI-DGCLKSJQSA-N -1 1 347.327 2.017 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC2(F)F)s1 ZINC000451831327 243286665 /nfs/dbraw/zinc/28/66/65/243286665.db2.gz ZJZVLHVZLPMSSS-SSDOTTSWSA-N -1 1 326.346 2.370 10 5 EEBEMM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000377392710 154178656 /nfs/dbraw/zinc/17/86/56/154178656.db2.gz YGHBNAALOSFYNS-ISVAXAHUSA-N -1 1 340.382 2.457 10 5 EEBEMM CC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000159939486 311347893 /nfs/dbraw/zinc/34/78/93/311347893.db2.gz AFCWFLOEOVNYQW-VIFPVBQESA-N -1 1 327.387 2.481 10 5 EEBEMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)OCC1CC1 ZINC000416583781 313265369 /nfs/dbraw/zinc/26/53/69/313265369.db2.gz AFHNMKSLCJAOSO-UHFFFAOYSA-N -1 1 334.419 2.140 10 5 EEBEMM COc1cccc2c(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)n[nH]c21 ZINC000436974270 315018765 /nfs/dbraw/zinc/01/87/65/315018765.db2.gz XNLIHTTYFAHBED-UHFFFAOYSA-N -1 1 328.284 2.438 10 5 EEBEMM CC(C)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000577233272 320244270 /nfs/dbraw/zinc/24/42/70/320244270.db2.gz IMDWXHFAJPUXMN-UHFFFAOYSA-N -1 1 326.296 2.462 10 5 EEBEMM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000175131033 464494823 /nfs/dbraw/zinc/49/48/23/464494823.db2.gz YFWGQGZFLJKIIK-ZWNOBZJWSA-N -1 1 348.446 2.386 10 5 EEBEMM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594478132 468600671 /nfs/dbraw/zinc/60/06/71/468600671.db2.gz DGQQMYAFOVXJDD-SECBINFHSA-N -1 1 336.435 2.386 10 5 EEBEMM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c(F)cc1F ZINC000531889185 468083135 /nfs/dbraw/zinc/08/31/35/468083135.db2.gz CKFUPQXATWALQM-UHFFFAOYSA-N -1 1 337.238 2.307 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600836692 468668041 /nfs/dbraw/zinc/66/80/41/468668041.db2.gz CEUMAILHZQINAZ-LLVKDONJSA-N -1 1 329.312 2.031 10 5 EEBEMM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C)(C(=O)[O-])CC1 ZINC000592397361 468689889 /nfs/dbraw/zinc/68/98/89/468689889.db2.gz JLSCYCQEQYWHKR-NSHDSACASA-N -1 1 335.360 2.109 10 5 EEBEMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599459238 469265529 /nfs/dbraw/zinc/26/55/29/469265529.db2.gz FIBQOQRPDJXLKA-APOZVJGGSA-N -1 1 348.808 2.338 10 5 EEBEMM C[C@H]1C(=O)N([N-]C(=O)c2cc3ccccc3c3cccnc23)C(=O)N1C ZINC001301136570 1331289925 /nfs/dbraw/zinc/28/99/25/1331289925.db2.gz XJAGKFZGXPIOGJ-NSHDSACASA-N -1 1 348.362 2.315 10 5 EEBEMM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000788415157 807523529 /nfs/dbraw/zinc/52/35/29/807523529.db2.gz CBIPZXLYFTYULZ-SNVBAGLBSA-N -1 1 336.822 2.421 10 5 EEBEMM Cc1ccc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)cc1[N+](=O)[O-] ZINC001454898543 1107901218 /nfs/dbraw/zinc/90/12/18/1107901218.db2.gz FQHSCFXDWCRNAZ-UHFFFAOYSA-N -1 1 343.368 2.165 10 5 EEBEMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)n1 ZINC001532709433 1122900315 /nfs/dbraw/zinc/90/03/15/1122900315.db2.gz UOWULOVIEXSANL-JTQLQIEISA-N -1 1 335.345 2.254 10 5 EEBEMM Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000108404541 159341217 /nfs/dbraw/zinc/34/12/17/159341217.db2.gz MECKSGNUOHMIPS-UHFFFAOYSA-N -1 1 347.443 2.251 10 5 EEBEMM CN1CC[C@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248489099 290213011 /nfs/dbraw/zinc/21/30/11/290213011.db2.gz HEUXHNHFICYSPL-WMLDXEAASA-N -1 1 341.367 2.476 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1 ZINC000577560488 320262112 /nfs/dbraw/zinc/26/21/12/320262112.db2.gz JZBWZMWDKUMTFH-UHFFFAOYSA-N -1 1 333.369 2.346 10 5 EEBEMM O=C(NC1(c2nn[n-]n2)CC1)c1cc2ccccc2c2cccnc12 ZINC000357066288 465739103 /nfs/dbraw/zinc/73/91/03/465739103.db2.gz HMXDYHFYRDJJOL-UHFFFAOYSA-N -1 1 330.351 2.320 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](C2CCCCC2)C1 ZINC000365466227 466826473 /nfs/dbraw/zinc/82/64/73/466826473.db2.gz TZXBDEVUUMNAFD-CQSZACIVSA-N -1 1 335.360 2.117 10 5 EEBEMM CC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000599207959 469164430 /nfs/dbraw/zinc/16/44/30/469164430.db2.gz XINSWFNDFBZJHX-LBPRGKRZSA-N -1 1 338.389 2.066 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)cc1F ZINC000867517381 686738441 /nfs/dbraw/zinc/73/84/41/686738441.db2.gz QAFZWGCAFUUHPU-NSHDSACASA-N -1 1 338.307 2.366 10 5 EEBEMM CCOC(=O)c1nc(NC(=O)CCC(C)(C)[N+](=O)[O-])[n-]c1Cl ZINC001133884989 1199136390 /nfs/dbraw/zinc/13/63/90/1199136390.db2.gz FHUYMGIOYMMLJU-UHFFFAOYSA-N -1 1 332.744 2.014 10 5 EEBEMM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000851853475 1291889035 /nfs/dbraw/zinc/88/90/35/1291889035.db2.gz IXTZOCXRZJVMRV-VIFPVBQESA-N -1 1 348.808 2.342 10 5 EEBEMM COc1nscc1[N-]C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC001651233549 1354045248 /nfs/dbraw/zinc/04/52/48/1354045248.db2.gz UXCIGIRWAUMDQG-UHFFFAOYSA-N -1 1 339.329 2.329 10 5 EEBEMM COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000921421764 773350418 /nfs/dbraw/zinc/35/04/18/773350418.db2.gz KEKRIPSJTPVSRQ-MRVPVSSYSA-N -1 1 336.797 2.340 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCOC2)s1 ZINC000921857588 797666151 /nfs/dbraw/zinc/66/61/51/797666151.db2.gz XLPDRCAMAWEDGA-MFKMUULPSA-N -1 1 346.430 2.140 10 5 EEBEMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCc2nc[nH]c2C12CCC2 ZINC001176717057 798552758 /nfs/dbraw/zinc/55/27/58/798552758.db2.gz RDPHQKFPUDYXDG-UHFFFAOYSA-N -1 1 328.328 2.101 10 5 EEBEMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000101570955 219140197 /nfs/dbraw/zinc/14/01/97/219140197.db2.gz LFPWZVIPVYGJDO-KCJUWKMLSA-N -1 1 334.781 2.094 10 5 EEBEMM Cc1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000274145564 256357653 /nfs/dbraw/zinc/35/76/53/256357653.db2.gz BFVJPVBYXRQMJG-UHFFFAOYSA-N -1 1 337.361 2.090 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1COc2ccccc21 ZINC000194622558 160197256 /nfs/dbraw/zinc/19/72/56/160197256.db2.gz GDNFGAZUKSYSKO-NSHDSACASA-N -1 1 338.316 2.146 10 5 EEBEMM CN(C)[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1cccs1 ZINC000345610934 161316038 /nfs/dbraw/zinc/31/60/38/161316038.db2.gz LPHVFJSQWLEGHW-ZDUSSCGKSA-N -1 1 335.385 2.395 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c(F)c1 ZINC000352352242 162100164 /nfs/dbraw/zinc/10/01/64/162100164.db2.gz FTJQAUSAUKQNGK-UHFFFAOYSA-N -1 1 342.270 2.355 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CC2CCC1CC2 ZINC000578439450 320314603 /nfs/dbraw/zinc/31/46/03/320314603.db2.gz BIQYXAFOVTXLIJ-HTAVTVPLSA-N -1 1 325.390 2.094 10 5 EEBEMM CN1CC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000367701551 466500662 /nfs/dbraw/zinc/50/06/62/466500662.db2.gz ZKHJQLDSLRIMEW-NVXWUHKLSA-N -1 1 341.367 2.476 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c([N+](=O)[O-])s1 ZINC000601371750 468846247 /nfs/dbraw/zinc/84/62/47/468846247.db2.gz MWTHWJQIJKTPKF-ZETCQYMHSA-N -1 1 326.346 2.431 10 5 EEBEMM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599398253 469243631 /nfs/dbraw/zinc/24/36/31/469243631.db2.gz XKYRXLGBJXNALS-OQPBUACISA-N -1 1 346.792 2.094 10 5 EEBEMM O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1c([O-])cccc1F ZINC000610339689 470005504 /nfs/dbraw/zinc/00/55/04/470005504.db2.gz GDKNFIQQPVXQFB-UHFFFAOYSA-N -1 1 347.302 2.198 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCOC2)s1 ZINC000867736772 1201669820 /nfs/dbraw/zinc/66/98/20/1201669820.db2.gz ONXCVLYPEYTHCA-ZWNOBZJWSA-N -1 1 346.430 2.140 10 5 EEBEMM COCC1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000827890130 1248945270 /nfs/dbraw/zinc/94/52/70/1248945270.db2.gz QKSIFESSSGEPDM-UHFFFAOYSA-N -1 1 348.808 2.343 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CCC3(CCC3)O2)s1 ZINC000921933691 798193116 /nfs/dbraw/zinc/19/31/16/798193116.db2.gz MGPLNUXEGKFJOL-SNVBAGLBSA-N -1 1 346.430 2.426 10 5 EEBEMM COC(=O)c1cc(Oc2cc(Cl)nc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC001458173967 1109840433 /nfs/dbraw/zinc/84/04/33/1109840433.db2.gz VKUVLEIWDJNIIY-UHFFFAOYSA-N -1 1 325.664 2.323 10 5 EEBEMM CC(C)n1cnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 ZINC001531230343 1122319949 /nfs/dbraw/zinc/31/99/49/1122319949.db2.gz VLLDEDDMAZVFRA-UHFFFAOYSA-N -1 1 347.331 2.181 10 5 EEBEMM C[C@H](COCc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193641914 240248947 /nfs/dbraw/zinc/24/89/47/240248947.db2.gz SHBBSXUNINRSFB-LLVKDONJSA-N -1 1 331.328 2.031 10 5 EEBEMM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000173605320 152180354 /nfs/dbraw/zinc/18/03/54/152180354.db2.gz GCTWVHDTZMFSNT-JTQLQIEISA-N -1 1 343.430 2.294 10 5 EEBEMM CN(C)Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])ccc1F ZINC000159386210 463282880 /nfs/dbraw/zinc/28/28/80/463282880.db2.gz ULFGVENMLMVVSO-UHFFFAOYSA-N -1 1 347.346 2.431 10 5 EEBEMM CCN1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000146970327 463389931 /nfs/dbraw/zinc/38/99/31/463389931.db2.gz DXOIBJCEUZDZNP-JTQLQIEISA-N -1 1 347.824 2.011 10 5 EEBEMM COC(=O)c1cc(C)nc([N-]c2cnn(CC(F)F)c2)c1[N+](=O)[O-] ZINC000287244843 463845534 /nfs/dbraw/zinc/84/55/34/463845534.db2.gz JWQZFCGGRRLKNO-UHFFFAOYSA-N -1 1 341.274 2.290 10 5 EEBEMM O=c1cc(C(F)(F)F)nc(SCCn2cc([N+](=O)[O-])cn2)[n-]1 ZINC000348149568 465452046 /nfs/dbraw/zinc/45/20/46/465452046.db2.gz WBJMCXGGZSVZTM-UHFFFAOYSA-N -1 1 335.267 2.098 10 5 EEBEMM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000292746670 464328827 /nfs/dbraw/zinc/32/88/27/464328827.db2.gz HTBSCJDJXLXUBY-UHFFFAOYSA-N -1 1 343.336 2.071 10 5 EEBEMM CC1(C)CC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000188746516 464359699 /nfs/dbraw/zinc/35/96/99/464359699.db2.gz BQJWPXXLXWQSMV-SECBINFHSA-N -1 1 348.808 2.484 10 5 EEBEMM O=C(N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600205953 468494746 /nfs/dbraw/zinc/49/47/46/468494746.db2.gz VSSGYBLRSQHIKS-IACUBPJLSA-N -1 1 345.742 2.417 10 5 EEBEMM Cc1ccc(CC2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000598234715 468800154 /nfs/dbraw/zinc/80/01/54/468800154.db2.gz KKNQHJZPBJJNCT-UHFFFAOYSA-N -1 1 327.340 2.319 10 5 EEBEMM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000859291667 1294379323 /nfs/dbraw/zinc/37/93/23/1294379323.db2.gz ZAWLTMUGOPGGMO-OQPBUACISA-N -1 1 346.792 2.094 10 5 EEBEMM COC(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])c([O-])c(OC)c1 ZINC001158238806 1319108456 /nfs/dbraw/zinc/10/84/56/1319108456.db2.gz HWFHRMCAINKPHP-UHFFFAOYSA-N -1 1 346.295 2.348 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC001616254289 1352327169 /nfs/dbraw/zinc/32/71/69/1352327169.db2.gz BGZQWCDOZLDLTH-UHFFFAOYSA-N -1 1 345.311 2.093 10 5 EEBEMM O=C(NCC(F)(F)c1cccc(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001559011200 1342495385 /nfs/dbraw/zinc/49/53/85/1342495385.db2.gz CKCVNDRIJQFHJR-UHFFFAOYSA-N -1 1 341.245 2.356 10 5 EEBEMM CSc1nc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC001640169610 1352706788 /nfs/dbraw/zinc/70/67/88/1352706788.db2.gz VYNKQGLRSLEHQK-UHFFFAOYSA-N -1 1 334.357 2.051 10 5 EEBEMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001538807609 1124037533 /nfs/dbraw/zinc/03/75/33/1124037533.db2.gz WDGLKNCSONZECT-UHFFFAOYSA-N -1 1 329.341 2.487 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)s1 ZINC000186170794 160061237 /nfs/dbraw/zinc/06/12/37/160061237.db2.gz LRDCTVUHLBVRTB-SNVBAGLBSA-N -1 1 334.419 2.284 10 5 EEBEMM COc1cc(C(=O)[N-]c2ncn(C(C)(C)C)n2)c([N+](=O)[O-])cc1OC ZINC000344091383 161197481 /nfs/dbraw/zinc/19/74/81/161197481.db2.gz ZRHYNAFMNLHYGE-UHFFFAOYSA-N -1 1 349.347 2.211 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CO ZINC000178917911 464013716 /nfs/dbraw/zinc/01/37/16/464013716.db2.gz NFRBBUMZNXAIGO-ONGXEEELSA-N -1 1 348.808 2.078 10 5 EEBEMM CCC[C@@H](NC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000752528205 577772233 /nfs/dbraw/zinc/77/22/33/577772233.db2.gz KRTUQXROUHDQPG-WTNCMQEWSA-N -1 1 330.348 2.169 10 5 EEBEMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccncc1 ZINC000749300813 577974285 /nfs/dbraw/zinc/97/42/85/577974285.db2.gz ZCHBOXFNQBWPSB-JTQLQIEISA-N -1 1 339.348 2.211 10 5 EEBEMM CC(C)n1nnnc1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC001168216143 1187392121 /nfs/dbraw/zinc/39/21/21/1187392121.db2.gz OSJANPKLQIQOCH-UHFFFAOYSA-N -1 1 341.331 2.410 10 5 EEBEMM COc1cnc([C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)[n-]c1=O ZINC001198479361 1285194383 /nfs/dbraw/zinc/19/43/83/1285194383.db2.gz PZFDZIXDUDZDKX-CYBMUJFWSA-N -1 1 330.344 2.436 10 5 EEBEMM O=[N+]([O-])c1cncc(Cl)c1[N-]c1ccn(Cc2ccccn2)n1 ZINC001651488307 1354054388 /nfs/dbraw/zinc/05/43/88/1354054388.db2.gz WNYLMIOQQGBYLB-UHFFFAOYSA-N -1 1 330.735 2.449 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000920883204 770895236 /nfs/dbraw/zinc/89/52/36/770895236.db2.gz BOUWCDMWXUHJBC-DCAQKATOSA-N -1 1 328.365 2.448 10 5 EEBEMM CCC1(CC)[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@@H](C)[C@H]1OC ZINC001457734143 1109748548 /nfs/dbraw/zinc/74/85/48/1109748548.db2.gz HSHDQRPDHFKJTE-OASPWFOLSA-N -1 1 337.376 2.265 10 5 EEBEMM Cc1[n-][nH]c(=O)c1NC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC001468547223 1110476284 /nfs/dbraw/zinc/47/62/84/1110476284.db2.gz VINAOIHCLGAFHO-UHFFFAOYSA-N -1 1 341.121 2.347 10 5 EEBEMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1(O)CCCC1 ZINC000452054561 243337721 /nfs/dbraw/zinc/33/77/21/243337721.db2.gz RQSAFMIUOIPMJH-UHFFFAOYSA-N -1 1 348.446 2.266 10 5 EEBEMM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000343945605 161183111 /nfs/dbraw/zinc/18/31/11/161183111.db2.gz WHBXYYVJXYRMAO-VHSXEESVSA-N -1 1 334.419 2.140 10 5 EEBEMM O=c1cc(C(F)(F)F)nc(SCCn2ccc([N+](=O)[O-])n2)[n-]1 ZINC000360428111 164307124 /nfs/dbraw/zinc/30/71/24/164307124.db2.gz MQWPXIGIORVCIB-UHFFFAOYSA-N -1 1 335.267 2.098 10 5 EEBEMM Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000105882224 463486162 /nfs/dbraw/zinc/48/61/62/463486162.db2.gz NYJMERLWBSRBMB-ZDUSSCGKSA-N -1 1 345.359 2.023 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@](F)(c2ccccc2)C1 ZINC000375013161 466768004 /nfs/dbraw/zinc/76/80/04/466768004.db2.gz ZFEFGIKBQZKISL-MRXNPFEDSA-N -1 1 331.303 2.406 10 5 EEBEMM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595391255 468836607 /nfs/dbraw/zinc/83/66/07/468836607.db2.gz AEEUMNKWVDIGIH-VIFPVBQESA-N -1 1 348.808 2.342 10 5 EEBEMM C[C@@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)c1csnn1 ZINC000848592501 1338726523 /nfs/dbraw/zinc/72/65/23/1338726523.db2.gz VLUZFQNRJFEKOB-SSDOTTSWSA-N -1 1 344.299 2.295 10 5 EEBEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001652916019 1354108225 /nfs/dbraw/zinc/10/82/25/1354108225.db2.gz FDRJJUBOQBUXJM-MRVPVSSYSA-N -1 1 348.384 2.221 10 5 EEBEMM CCOC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809836242 783401030 /nfs/dbraw/zinc/40/10/30/783401030.db2.gz XFHRBSWCKLKJBC-ZETCQYMHSA-N -1 1 340.760 2.091 10 5 EEBEMM Nc1ccc([N+](=O)[O-])cc1C(=O)NCCc1c(F)cc([O-])cc1F ZINC001178784858 799619364 /nfs/dbraw/zinc/61/93/64/799619364.db2.gz JRRRHRFFNYDCTN-UHFFFAOYSA-N -1 1 337.282 2.133 10 5 EEBEMM CCOC(=O)c1nc(NC(=O)c2cccc([N+](=O)[O-])c2)[n-]c1Cl ZINC001462920249 1110365856 /nfs/dbraw/zinc/36/58/56/1110365856.db2.gz PUSDBQXYZUYMLJ-UHFFFAOYSA-N -1 1 338.707 2.400 10 5 EEBEMM CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289991596 275168387 /nfs/dbraw/zinc/16/83/87/275168387.db2.gz VVJVXFBDNWLIOU-NKWVEPMBSA-N -1 1 340.760 2.089 10 5 EEBEMM Cc1nc([C@H]2CCCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)no1 ZINC000365196381 293382176 /nfs/dbraw/zinc/38/21/76/293382176.db2.gz HLELYHTWRRLTEW-LLVKDONJSA-N -1 1 347.331 2.144 10 5 EEBEMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000445018878 315337486 /nfs/dbraw/zinc/33/74/86/315337486.db2.gz KMCMBNBANGKJJR-AMJWSMQMSA-N -1 1 343.339 2.378 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)[nH]2)s1 ZINC000357396734 466004226 /nfs/dbraw/zinc/00/42/26/466004226.db2.gz ATFYYRAHMGRHRY-UHFFFAOYSA-N -1 1 342.280 2.199 10 5 EEBEMM O=C(N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600205956 468494981 /nfs/dbraw/zinc/49/49/81/468494981.db2.gz VSSGYBLRSQHIKS-KWCYVHTRSA-N -1 1 345.742 2.417 10 5 EEBEMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000594486438 468605151 /nfs/dbraw/zinc/60/51/51/468605151.db2.gz FUNFMRBYHODUGR-VIFPVBQESA-N -1 1 349.359 2.482 10 5 EEBEMM O=C([O-])[C@@H]1c2ccoc2CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000600674963 468618034 /nfs/dbraw/zinc/61/80/34/468618034.db2.gz QQXVZHGLFCODNN-HNNXBMFYSA-N -1 1 332.312 2.251 10 5 EEBEMM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000595364931 468827136 /nfs/dbraw/zinc/82/71/36/468827136.db2.gz KDFXUWJKTWLEKD-SNVBAGLBSA-N -1 1 334.419 2.140 10 5 EEBEMM CC(C)[C@@H](O)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000598351037 468839689 /nfs/dbraw/zinc/83/96/89/468839689.db2.gz LLLZDQMPEVQYFV-LSDHHAIUSA-N -1 1 345.355 2.183 10 5 EEBEMM O=C(c1cccc([O-])c1F)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001293905350 1328837036 /nfs/dbraw/zinc/83/70/36/1328837036.db2.gz BTESNNNUKUHUMF-JTQLQIEISA-N -1 1 346.318 2.161 10 5 EEBEMM CCC(CC)(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nn[n-]n1 ZINC001297487657 1329976146 /nfs/dbraw/zinc/97/61/46/1329976146.db2.gz KZYUUQCEBLPYOE-UHFFFAOYSA-N -1 1 338.755 2.207 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1O ZINC000121299645 463112412 /nfs/dbraw/zinc/11/24/12/463112412.db2.gz GSPCHYHKOXKGKI-CABZTGNLSA-N -1 1 348.808 2.078 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ccccn2)CC1 ZINC000373196277 466724744 /nfs/dbraw/zinc/72/47/44/466724744.db2.gz UWKLNOMYSWZRNU-UHFFFAOYSA-N -1 1 328.328 2.110 10 5 EEBEMM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365207706 466745742 /nfs/dbraw/zinc/74/57/42/466745742.db2.gz XZRRHTYPTKHBNU-SWLSCSKDSA-N -1 1 343.339 2.203 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)s1 ZINC000594491262 468607900 /nfs/dbraw/zinc/60/79/00/468607900.db2.gz OGUNZXJISLNEBV-SNVBAGLBSA-N -1 1 346.430 2.426 10 5 EEBEMM Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594750713 468672973 /nfs/dbraw/zinc/67/29/73/468672973.db2.gz NSBRQYPNSBIROR-CYBMUJFWSA-N -1 1 333.369 2.264 10 5 EEBEMM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(F)F ZINC000595350279 468820508 /nfs/dbraw/zinc/82/05/08/468820508.db2.gz GPYVESUASUWCEK-ZCFIWIBFSA-N -1 1 326.346 2.226 10 5 EEBEMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC001298673399 1330110659 /nfs/dbraw/zinc/11/06/59/1330110659.db2.gz HJEXDLQTNIFEFU-UHFFFAOYSA-N -1 1 341.121 2.347 10 5 EEBEMM C[C@@H]1C(=O)N([N-]C(=O)c2cc3ccccc3c3cccnc23)C(=O)N1C ZINC001301136569 1331289970 /nfs/dbraw/zinc/28/99/70/1331289970.db2.gz XJAGKFZGXPIOGJ-LLVKDONJSA-N -1 1 348.362 2.315 10 5 EEBEMM O=C(c1cccc([O-])c1F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001616345336 1352328195 /nfs/dbraw/zinc/32/81/95/1352328195.db2.gz CVCAJWAAENTJHT-UHFFFAOYSA-N -1 1 332.287 2.343 10 5 EEBEMM CC(C)CN(Cc1ccccn1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001652366695 1354089148 /nfs/dbraw/zinc/08/91/48/1354089148.db2.gz IPQQTBCNKBAWTR-UHFFFAOYSA-N -1 1 330.344 2.389 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1([C@@H]2CCCCO2)CC1 ZINC000922103350 798944894 /nfs/dbraw/zinc/94/48/94/798944894.db2.gz YAIUBORJCNXVNL-LBPRGKRZSA-N -1 1 344.364 2.114 10 5 EEBEMM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc([O-])c2Br)n1 ZINC001468251785 1110471011 /nfs/dbraw/zinc/47/10/11/1110471011.db2.gz AWWQXEORLQZJLQ-UHFFFAOYSA-N -1 1 341.121 2.049 10 5 EEBEMM CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000175131048 255851188 /nfs/dbraw/zinc/85/11/88/255851188.db2.gz YFWGQGZFLJKIIK-MFKMUULPSA-N -1 1 348.446 2.386 10 5 EEBEMM CN(C)[C@@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1cccs1 ZINC000280876457 269396668 /nfs/dbraw/zinc/39/66/68/269396668.db2.gz YUHUJFJUVNZUTF-NSHDSACASA-N -1 1 335.385 2.395 10 5 EEBEMM CCOC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000339029024 465037628 /nfs/dbraw/zinc/03/76/28/465037628.db2.gz GXHGRQUYNRQJMK-UHFFFAOYSA-N -1 1 334.419 2.284 10 5 EEBEMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccncc1 ZINC000179534396 464153647 /nfs/dbraw/zinc/15/36/47/464153647.db2.gz BCSXJOODGMFUAV-UHFFFAOYSA-N -1 1 341.414 2.307 10 5 EEBEMM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000592084195 468616536 /nfs/dbraw/zinc/61/65/36/468616536.db2.gz IIRRHAHFIRGBKE-DTORHVGOSA-N -1 1 334.419 2.281 10 5 EEBEMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccsc1 ZINC000560418181 468802644 /nfs/dbraw/zinc/80/26/44/468802644.db2.gz MHNYXNMNKGFQDA-UHFFFAOYSA-N -1 1 328.327 2.155 10 5 EEBEMM Cc1cccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000769050934 577568086 /nfs/dbraw/zinc/56/80/86/577568086.db2.gz YIVFYSJEKBRNKS-UHFFFAOYSA-N -1 1 330.296 2.404 10 5 EEBEMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(Br)n[nH]1 ZINC000791392274 682141788 /nfs/dbraw/zinc/14/17/88/682141788.db2.gz OSKPRTFXEDJTFJ-UHFFFAOYSA-N -1 1 327.094 2.038 10 5 EEBEMM C[C@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)c1csnn1 ZINC000848592502 1338726444 /nfs/dbraw/zinc/72/64/44/1338726444.db2.gz VLUZFQNRJFEKOB-ZETCQYMHSA-N -1 1 344.299 2.295 10 5 EEBEMM O=C(c1ccc([O-])cn1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001618758375 1352353054 /nfs/dbraw/zinc/35/30/54/1352353054.db2.gz FQPIOBQTEFZSSO-UHFFFAOYSA-N -1 1 343.339 2.379 10 5 EEBEMM COc1cnc(C(C)(C)NC(=O)c2cc(C)cc([N+](=O)[O-])c2)[n-]c1=O ZINC001558500009 1342478787 /nfs/dbraw/zinc/47/87/87/1342478787.db2.gz FDLZOKFXWLYUGZ-UHFFFAOYSA-N -1 1 346.343 2.073 10 5 EEBEMM O=C(c1cccc([O-])c1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001540389015 1124081688 /nfs/dbraw/zinc/08/16/88/1124081688.db2.gz VDJLRFKCGRDINQ-UHFFFAOYSA-N -1 1 345.330 2.402 10 5 EEBEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001568810022 1124827327 /nfs/dbraw/zinc/82/73/27/1124827327.db2.gz ZRNFNUJKPNJKAH-UHFFFAOYSA-N -1 1 348.384 2.002 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccccc32)s1 ZINC000058506936 201143677 /nfs/dbraw/zinc/14/36/77/201143677.db2.gz AYUDBJKVDQLYSJ-VIFPVBQESA-N -1 1 326.355 2.068 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)CC2CCCC2)s1 ZINC000359917071 164196363 /nfs/dbraw/zinc/19/63/63/164196363.db2.gz LHAUQWOTHBYPAA-NSHDSACASA-N -1 1 348.446 2.123 10 5 EEBEMM C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445209346 315352044 /nfs/dbraw/zinc/35/20/44/315352044.db2.gz GKEUUKOACCMVFZ-APPZFPTMSA-N -1 1 333.266 2.498 10 5 EEBEMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000601500356 468895791 /nfs/dbraw/zinc/89/57/91/468895791.db2.gz XKOKDEORXODDJL-MRTMQBJTSA-N -1 1 334.781 2.092 10 5 EEBEMM CCC(F)(F)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000599434279 469255080 /nfs/dbraw/zinc/25/50/80/469255080.db2.gz XAPOJPMXVLSQQT-UHFFFAOYSA-N -1 1 345.327 2.467 10 5 EEBEMM Cn1cc(-c2cc(COC(=O)c3cc([O-])cc([N+](=O)[O-])c3)on2)cn1 ZINC000769113883 577570072 /nfs/dbraw/zinc/57/00/72/577570072.db2.gz INUZKUARVKABQO-UHFFFAOYSA-N -1 1 344.283 2.046 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC001137177521 1201854500 /nfs/dbraw/zinc/85/45/00/1201854500.db2.gz QNENOESWDWAHMN-RYUDHWBXSA-N -1 1 333.344 2.059 10 5 EEBEMM Cc1noc(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)n1 ZINC001157687659 1318795787 /nfs/dbraw/zinc/79/57/87/1318795787.db2.gz ZJMUIGNNDYIDKC-UHFFFAOYSA-N -1 1 327.300 2.457 10 5 EEBEMM O=C(Nc1ccc(Br)c([O-])c1)c1n[nH]cc1[N+](=O)[O-] ZINC001321269291 1333059758 /nfs/dbraw/zinc/05/97/58/1333059758.db2.gz ZQAWBRSEOSRTLQ-UHFFFAOYSA-N -1 1 327.094 2.038 10 5 EEBEMM COc1cnc([C@H]2CCCN2Cc2ccccc2[N+](=O)[O-])[n-]c1=O ZINC001620647957 1352361468 /nfs/dbraw/zinc/36/14/68/1352361468.db2.gz INHGWTKGZLCDOF-CYBMUJFWSA-N -1 1 330.344 2.436 10 5 EEBEMM CC(C)(C)c1nsc([N-]C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)n1 ZINC001626852955 1352475543 /nfs/dbraw/zinc/47/55/43/1352475543.db2.gz SPPIABFQWKUZGB-UHFFFAOYSA-N -1 1 330.757 2.373 10 5 EEBEMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCC2 ZINC000173381494 152162957 /nfs/dbraw/zinc/16/29/57/152162957.db2.gz XHNYBLJDAKTLEC-NXEZZACHSA-N -1 1 346.430 2.282 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249960815 160386934 /nfs/dbraw/zinc/38/69/34/160386934.db2.gz WJTUBPQITKZSLT-UMNHJUIQSA-N -1 1 346.792 2.094 10 5 EEBEMM Cc1csc([C@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)n1 ZINC000187144532 160093739 /nfs/dbraw/zinc/09/37/39/160093739.db2.gz KTZGDAIBAMWYCK-JTQLQIEISA-N -1 1 348.384 2.480 10 5 EEBEMM O=c1cc(/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)nc2nc[n-]n21 ZINC000352040808 162042052 /nfs/dbraw/zinc/04/20/52/162042052.db2.gz RTDNITCBHCRKFQ-OWOJBTEDSA-N -1 1 349.253 2.098 10 5 EEBEMM C[C@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000443389926 315245610 /nfs/dbraw/zinc/24/56/10/315245610.db2.gz VREUDLLLEZNEPV-SECBINFHSA-N -1 1 342.398 2.271 10 5 EEBEMM COc1cc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000566860801 319327789 /nfs/dbraw/zinc/32/77/89/319327789.db2.gz VTVQZTBKUICMCM-ZDUSSCGKSA-N -1 1 348.277 2.442 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCn2c(cc3ccccc32)C1 ZINC000361033074 465716453 /nfs/dbraw/zinc/71/64/53/465716453.db2.gz RBELWDKJTUTGRI-UHFFFAOYSA-N -1 1 338.323 2.306 10 5 EEBEMM COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000338958566 466522830 /nfs/dbraw/zinc/52/28/30/466522830.db2.gz SHUAEBBIHIKOAT-ZDUSSCGKSA-N -1 1 347.302 2.260 10 5 EEBEMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000600635088 468607868 /nfs/dbraw/zinc/60/78/68/468607868.db2.gz MLKZKJJOFTVREE-CQSZACIVSA-N -1 1 328.390 2.460 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)c([N+](=O)[O-])s1 ZINC000601466234 468887017 /nfs/dbraw/zinc/88/70/17/468887017.db2.gz XZUCARCAWMUCGN-SECBINFHSA-N -1 1 326.346 2.288 10 5 EEBEMM CC1(C(=O)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000859355727 1294407518 /nfs/dbraw/zinc/40/75/18/1294407518.db2.gz NIAMTVWBMNZHBA-UHFFFAOYSA-N -1 1 344.364 2.162 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]C2CC3(CC3(F)F)C2)c([N+](=O)[O-])s1 ZINC001329367033 1334634864 /nfs/dbraw/zinc/63/48/64/1334634864.db2.gz YNZKOEZWTMTZMU-UHFFFAOYSA-N -1 1 338.357 2.431 10 5 EEBEMM Cc1ncc([N+](=O)[O-])n1CCSc1nc(C(F)F)cc(=O)[n-]1 ZINC001613840173 1352316260 /nfs/dbraw/zinc/31/62/60/1352316260.db2.gz WBQNSDAYTDNWEU-UHFFFAOYSA-N -1 1 331.304 2.325 10 5 EEBEMM O=C([N-]C1(c2ncon2)CCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001597878497 1349932595 /nfs/dbraw/zinc/93/25/95/1349932595.db2.gz GXCQZXHEGBIIGJ-UHFFFAOYSA-N -1 1 338.270 2.265 10 5 EEBEMM O=C([N-]Cc1cnc(Cl)cn1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001141841542 782493329 /nfs/dbraw/zinc/49/33/29/782493329.db2.gz HZVDCFARZZKSLT-UHFFFAOYSA-N -1 1 342.689 2.446 10 5 EEBEMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(c3cn[nH]c3)CC2)c1 ZINC000846242236 790101304 /nfs/dbraw/zinc/10/13/04/790101304.db2.gz XWILYVYZJUFHDM-UHFFFAOYSA-N -1 1 330.344 2.396 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2([C@@H]3CCCCO3)CC2)s1 ZINC000922099331 798916143 /nfs/dbraw/zinc/91/61/43/798916143.db2.gz AVNUZJBHNLXJGA-VIFPVBQESA-N -1 1 332.403 2.036 10 5 EEBEMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000119091576 462873957 /nfs/dbraw/zinc/87/39/57/462873957.db2.gz AVDWZBCJJNHGAM-SECBINFHSA-N -1 1 347.375 2.446 10 5 EEBEMM COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000338373875 466070039 /nfs/dbraw/zinc/07/00/39/466070039.db2.gz IUDFVEGEJXZVHR-LBPRGKRZSA-N -1 1 347.302 2.260 10 5 EEBEMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]2CCCO[C@H]21 ZINC000365606028 466879138 /nfs/dbraw/zinc/87/91/38/466879138.db2.gz CORJZJKFMUZKII-XXILOJSOSA-N -1 1 346.430 2.138 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC(C1CCC1)C1CCC1 ZINC000599359738 469225807 /nfs/dbraw/zinc/22/58/07/469225807.db2.gz DMEXWGGOEDLTCZ-UHFFFAOYSA-N -1 1 339.417 2.485 10 5 EEBEMM CCC[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOC1 ZINC000796114254 1215308200 /nfs/dbraw/zinc/30/82/00/1215308200.db2.gz PXZAQFQAFGIVDA-ZDUSSCGKSA-N -1 1 348.808 2.486 10 5 EEBEMM Cc1ccc(C2=CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cn1 ZINC001295664571 1329830287 /nfs/dbraw/zinc/83/02/87/1329830287.db2.gz KJSNINPWSYIGFX-UHFFFAOYSA-N -1 1 340.339 2.328 10 5 EEBEMM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000848491725 1338708992 /nfs/dbraw/zinc/70/89/92/1338708992.db2.gz OPUUMWHGPIKZLQ-SNVBAGLBSA-N -1 1 348.396 2.463 10 5 EEBEMM Cc1cc(Cl)c(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1[N+](=O)[O-] ZINC001540104353 1124074871 /nfs/dbraw/zinc/07/48/71/1124074871.db2.gz AJQNAXLGAPWYOT-UHFFFAOYSA-N -1 1 345.746 2.464 10 5 EEBEMM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356575267 141020272 /nfs/dbraw/zinc/02/02/72/141020272.db2.gz ADFYNDHYYNJEMW-UKRRQHHQSA-N -1 1 343.339 2.346 10 5 EEBEMM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452646039 315576887 /nfs/dbraw/zinc/57/68/87/315576887.db2.gz OLEZAGLVCXUCTO-APPZFPTMSA-N -1 1 333.266 2.498 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1CC(c2ccccc2)C1 ZINC000566868172 319328396 /nfs/dbraw/zinc/32/83/96/319328396.db2.gz ULPOGCGFLPYBAS-UHFFFAOYSA-N -1 1 347.396 2.462 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1O ZINC000121305184 463113996 /nfs/dbraw/zinc/11/39/96/463113996.db2.gz JBFCOPFUKMNBSK-BXKDBHETSA-N -1 1 348.808 2.078 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1CO ZINC000178917887 464013459 /nfs/dbraw/zinc/01/34/59/464013459.db2.gz NFRBBUMZNXAIGO-KOLCDFICSA-N -1 1 348.808 2.078 10 5 EEBEMM CC1(C)CCC[C@H]1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000599358878 469226711 /nfs/dbraw/zinc/22/67/11/469226711.db2.gz NQIJKQYHQVIWQQ-NSHDSACASA-N -1 1 327.406 2.485 10 5 EEBEMM COc1cc(S(=O)(=O)[N-]c2ccc3nccn3c2)ccc1[N+](=O)[O-] ZINC000759148271 577637974 /nfs/dbraw/zinc/63/79/74/577637974.db2.gz PONNNAMVYVWSSV-UHFFFAOYSA-N -1 1 348.340 2.052 10 5 EEBEMM O=C(NC[C@@H]1C[C@@H]1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001648800034 1176567407 /nfs/dbraw/zinc/56/74/07/1176567407.db2.gz ZVKVKLXDCNTPRT-STQMWFEESA-N -1 1 327.340 2.304 10 5 EEBEMM O=C(NCc1cccc(N2CC=CC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001293781194 1328810037 /nfs/dbraw/zinc/81/00/37/1328810037.db2.gz WIXRCZZIARCMAY-UHFFFAOYSA-N -1 1 340.339 2.002 10 5 EEBEMM Cc1cc([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c(C)o1 ZINC001330136481 1334783692 /nfs/dbraw/zinc/78/36/92/1334783692.db2.gz OCINAWIKOLRZBP-VIFPVBQESA-N -1 1 325.346 2.239 10 5 EEBEMM Cc1noc(C2([N-]C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001627753839 1352508737 /nfs/dbraw/zinc/50/87/37/1352508737.db2.gz QTRCHNSLZJQEIH-UHFFFAOYSA-N -1 1 338.270 2.184 10 5 EEBEMM C[S@@](=O)(=NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001652347021 1354088907 /nfs/dbraw/zinc/08/89/07/1354088907.db2.gz IGYJZNUXBCLUOK-QHCPKHFHSA-N -1 1 339.304 2.132 10 5 EEBEMM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC001535459953 1123554199 /nfs/dbraw/zinc/55/41/99/1123554199.db2.gz OQYBIZPLRHDSTN-UHFFFAOYSA-N -1 1 337.238 2.307 10 5 EEBEMM Cc1ccc(OCCN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186799448 236024673 /nfs/dbraw/zinc/02/46/73/236024673.db2.gz WCOIQBGJDASLRC-UHFFFAOYSA-N -1 1 331.328 2.155 10 5 EEBEMM CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1F ZINC000106290596 159313697 /nfs/dbraw/zinc/31/36/97/159313697.db2.gz KQJLNAZCPIPFJU-UHFFFAOYSA-N -1 1 335.291 2.163 10 5 EEBEMM Cc1cccc2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3[O-])[nH]c21 ZINC000436958148 315016492 /nfs/dbraw/zinc/01/64/92/315016492.db2.gz ZRVARAGYAIOEAT-UHFFFAOYSA-N -1 1 326.312 2.415 10 5 EEBEMM Cc1ccnc([C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000566467328 319291904 /nfs/dbraw/zinc/29/19/04/319291904.db2.gz VPMJDUPKEVBXOL-NSHDSACASA-N -1 1 328.328 2.029 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)C2CCCCC2)s1 ZINC000339040136 465044384 /nfs/dbraw/zinc/04/43/84/465044384.db2.gz DKDCMQVREOSUML-LLVKDONJSA-N -1 1 348.446 2.123 10 5 EEBEMM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)Cc2ccccc2C1 ZINC000123846710 463373846 /nfs/dbraw/zinc/37/38/46/463373846.db2.gz YIHBWKNEGSTLSD-UHFFFAOYSA-N -1 1 338.410 2.492 10 5 EEBEMM C[C@@H](COCc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000174590148 464427144 /nfs/dbraw/zinc/42/71/44/464427144.db2.gz IHGSOGKRHWTUTG-NSHDSACASA-N -1 1 331.328 2.031 10 5 EEBEMM Cc1nc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)nn1C ZINC000344533911 465649412 /nfs/dbraw/zinc/64/94/12/465649412.db2.gz QARXIIISRGTCNF-UHFFFAOYSA-N -1 1 329.238 2.303 10 5 EEBEMM C[C@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753098 468673910 /nfs/dbraw/zinc/67/39/10/468673910.db2.gz FXZSOTSGNRESNQ-HZMBPMFUSA-N -1 1 333.369 2.202 10 5 EEBEMM O=C(Nc1cnn(-c2ccncc2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612535335 469489587 /nfs/dbraw/zinc/48/95/87/469489587.db2.gz QNQYVOUNUQGQRY-UHFFFAOYSA-N -1 1 325.284 2.133 10 5 EEBEMM CC(C)(C)OCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725831268 576055483 /nfs/dbraw/zinc/05/54/83/576055483.db2.gz NDPCTLPAHYPWIF-UHFFFAOYSA-N -1 1 336.797 2.342 10 5 EEBEMM O=Cc1ccc(OCC(=O)Nc2c([O-])cccc2F)c([N+](=O)[O-])c1 ZINC000770862247 577605018 /nfs/dbraw/zinc/60/50/18/577605018.db2.gz LUICZNASCHHIJX-UHFFFAOYSA-N -1 1 334.259 2.270 10 5 EEBEMM COC1CCC(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000750168057 577988367 /nfs/dbraw/zinc/98/83/67/577988367.db2.gz JXXPIXAWKMHFCU-UHFFFAOYSA-N -1 1 346.380 2.217 10 5 EEBEMM O=C(NCCSCc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016497896 681726159 /nfs/dbraw/zinc/72/61/59/681726159.db2.gz JIHDVPBSWWBKBX-UHFFFAOYSA-N -1 1 333.369 2.359 10 5 EEBEMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1CCC(N2CCOCC2)CC1 ZINC001624547248 1352424010 /nfs/dbraw/zinc/42/40/10/1352424010.db2.gz UAGZBEJJILMCPG-UHFFFAOYSA-N -1 1 349.387 2.130 10 5 EEBEMM O=C(NCC[C@@H]1OCCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001651240561 1354045895 /nfs/dbraw/zinc/04/58/95/1354045895.db2.gz ZNQFEDSGDZSUGE-HNNXBMFYSA-N -1 1 343.339 2.129 10 5 EEBEMM COC(=O)c1cc(C)nc([N-]c2cnn(C)c2C2CC2)c1[N+](=O)[O-] ZINC000804619794 810966374 /nfs/dbraw/zinc/96/63/74/810966374.db2.gz DYHKUDHRKBGNGW-UHFFFAOYSA-N -1 1 331.332 2.439 10 5 EEBEMM O=C(N[C@@H]1CC=CC[C@H]1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001455082118 1108188134 /nfs/dbraw/zinc/18/81/34/1108188134.db2.gz ZPGXDEFMBMZUEN-RKDXNWHRSA-N -1 1 331.250 2.322 10 5 EEBEMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccn1 ZINC000451674274 243200158 /nfs/dbraw/zinc/20/01/58/243200158.db2.gz XQFZNVYSKMSANN-UHFFFAOYSA-N -1 1 341.414 2.307 10 5 EEBEMM CCc1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000451955746 243325667 /nfs/dbraw/zinc/32/56/67/243325667.db2.gz FJPWGOYYQQMRJI-UHFFFAOYSA-N -1 1 345.764 2.277 10 5 EEBEMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1nc(C2CCC2)n[nH]1 ZINC000274169966 256360775 /nfs/dbraw/zinc/36/07/75/256360775.db2.gz HAAXSPNRWOMZPN-UHFFFAOYSA-N -1 1 337.361 2.090 10 5 EEBEMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCC2 ZINC000173381510 152162856 /nfs/dbraw/zinc/16/28/56/152162856.db2.gz XHNYBLJDAKTLEC-ZJUUUORDSA-N -1 1 346.430 2.282 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]CC2(C)CCC(C)CC2)c([N+](=O)[O-])n1 ZINC000360201991 164256456 /nfs/dbraw/zinc/25/64/56/164256456.db2.gz HXEYIKYXJNOUJM-UHFFFAOYSA-N -1 1 344.437 2.306 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)C2CCCCC2)s1 ZINC000339040137 465044732 /nfs/dbraw/zinc/04/47/32/465044732.db2.gz DKDCMQVREOSUML-NSHDSACASA-N -1 1 348.446 2.123 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2)s1 ZINC000064241118 462689626 /nfs/dbraw/zinc/68/96/26/462689626.db2.gz PFDJHJQEIXHCAF-UHFFFAOYSA-N -1 1 330.362 2.316 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-][C@H](C)C2CCC(F)CC2)c([N+](=O)[O-])n1 ZINC000595359467 468824853 /nfs/dbraw/zinc/82/48/53/468824853.db2.gz NMSNZTUGHMAZPR-KPPDAEKUSA-N -1 1 348.400 2.006 10 5 EEBEMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000588144289 469121633 /nfs/dbraw/zinc/12/16/33/469121633.db2.gz CUWYKXSCOIOCRI-NSHDSACASA-N -1 1 336.316 2.070 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cc([N+](=O)[O-])ccc2C)[n-]1 ZINC001133686088 1201199029 /nfs/dbraw/zinc/19/90/29/1201199029.db2.gz RBYOMLZGVOYJLL-UHFFFAOYSA-N -1 1 345.311 2.473 10 5 EEBEMM O=C(OCc1ccc2c(c1)OCCO2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071731 1236335133 /nfs/dbraw/zinc/33/51/33/1236335133.db2.gz KCRUOFDUNQLYNZ-UHFFFAOYSA-N -1 1 331.280 2.429 10 5 EEBEMM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000851853473 1291888119 /nfs/dbraw/zinc/88/81/19/1291888119.db2.gz IXTZOCXRZJVMRV-SECBINFHSA-N -1 1 348.808 2.342 10 5 EEBEMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ncc(Cl)cn1 ZINC001306509881 1331475249 /nfs/dbraw/zinc/47/52/49/1331475249.db2.gz QHFULDZXCONZRJ-UHFFFAOYSA-N -1 1 345.706 2.076 10 5 EEBEMM Cc1ccc([O-])c(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 ZINC001618279638 1352349081 /nfs/dbraw/zinc/34/90/81/1352349081.db2.gz ZXTOBFQNLKITAQ-UHFFFAOYSA-N -1 1 345.311 2.417 10 5 EEBEMM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001436068133 1342010271 /nfs/dbraw/zinc/01/02/71/1342010271.db2.gz NHZXWMDMDUWPBG-UHFFFAOYSA-N -1 1 325.328 2.119 10 5 EEBEMM CCOC(=O)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2NC)on1 ZINC001452184087 1098284862 /nfs/dbraw/zinc/28/48/62/1098284862.db2.gz PEXVAFYPBMOQMX-UHFFFAOYSA-N -1 1 334.288 2.054 10 5 EEBEMM CN(C)Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)ccc1F ZINC000115716023 152037269 /nfs/dbraw/zinc/03/72/69/152037269.db2.gz IIQJOADYGHSGLG-UHFFFAOYSA-N -1 1 347.346 2.431 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(O)CCCCCC2)s1 ZINC000160984552 463388370 /nfs/dbraw/zinc/38/83/70/463388370.db2.gz CTMUEIRILSJZSV-UHFFFAOYSA-N -1 1 334.419 2.020 10 5 EEBEMM CN1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2[O-])[C@H]1c1ccccc1 ZINC000245895290 464523411 /nfs/dbraw/zinc/52/34/11/464523411.db2.gz PDRBHKUWWCVFBX-GDBMZVCRSA-N -1 1 341.367 2.476 10 5 EEBEMM O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000600674335 468616480 /nfs/dbraw/zinc/61/64/80/468616480.db2.gz KTFMHUNSLMQJAY-OAHLLOKOSA-N -1 1 332.312 2.251 10 5 EEBEMM O=C([O-])[C@H]1c2ccoc2CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000600674335 468616486 /nfs/dbraw/zinc/61/64/86/468616486.db2.gz KTFMHUNSLMQJAY-OAHLLOKOSA-N -1 1 332.312 2.251 10 5 EEBEMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000588144288 469121069 /nfs/dbraw/zinc/12/10/69/469121069.db2.gz CUWYKXSCOIOCRI-LLVKDONJSA-N -1 1 336.316 2.070 10 5 EEBEMM CCn1cc([N+](=O)[O-])c(C(=O)OCCc2cc(C(C)=O)ccc2[O-])n1 ZINC000755574344 577827135 /nfs/dbraw/zinc/82/71/35/577827135.db2.gz KHEWROKIYNNAPU-UHFFFAOYSA-N -1 1 347.327 2.119 10 5 EEBEMM CNc1nccc(C(=O)[N-]c2n[nH]c(-c3cccs3)n2)c1[N+](=O)[O-] ZINC001306353844 1331467211 /nfs/dbraw/zinc/46/72/11/1331467211.db2.gz HRVMPOKCZRLNJM-UHFFFAOYSA-N -1 1 345.344 2.130 10 5 EEBEMM O=C(NCc1ccnc(C(F)(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001611336120 1352298895 /nfs/dbraw/zinc/29/88/95/1352298895.db2.gz QFKLHBPMZOWXQQ-UHFFFAOYSA-N -1 1 342.233 2.039 10 5 EEBEMM CC(=O)c1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC001611439295 1352300598 /nfs/dbraw/zinc/30/05/98/1352300598.db2.gz CMJPILUZKZHLDA-UHFFFAOYSA-N -1 1 327.296 2.054 10 5 EEBEMM O=C(N[C@@H]1CCCc2ccccc2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001184393296 802006544 /nfs/dbraw/zinc/00/65/44/802006544.db2.gz JQKIXCYGOTWUBR-CYBMUJFWSA-N -1 1 327.340 2.373 10 5 EEBEMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cnn(CC2CCC2)c1 ZINC001472632333 1110561382 /nfs/dbraw/zinc/56/13/82/1110561382.db2.gz QSVXIGWJVJMKGT-SNVBAGLBSA-N -1 1 345.359 2.183 10 5 EEBEMM CN1CC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000367701552 283131326 /nfs/dbraw/zinc/13/13/26/283131326.db2.gz ZKHJQLDSLRIMEW-RDJZCZTQSA-N -1 1 341.367 2.476 10 5 EEBEMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000439144233 242065468 /nfs/dbraw/zinc/06/54/68/242065468.db2.gz WXAHRABWPNJKKM-YHAQOWFVSA-N -1 1 343.339 2.378 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)s1 ZINC000416504110 313240582 /nfs/dbraw/zinc/24/05/82/313240582.db2.gz ZATMJBQJCVRSMY-UHFFFAOYSA-N -1 1 326.346 2.370 10 5 EEBEMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594828257 468698493 /nfs/dbraw/zinc/69/84/93/468698493.db2.gz BQLYXEGZMVGBBH-KYZUINATSA-N -1 1 334.781 2.094 10 5 EEBEMM COc1cc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC000571881479 468852781 /nfs/dbraw/zinc/85/27/81/468852781.db2.gz QJIKRAOPKWEJED-PWSUYJOCSA-N -1 1 338.360 2.155 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)nc1 ZINC000593602063 469054695 /nfs/dbraw/zinc/05/46/95/469054695.db2.gz BTSYQAZDVDCBPY-VIFPVBQESA-N -1 1 335.332 2.094 10 5 EEBEMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599459241 469264680 /nfs/dbraw/zinc/26/46/80/469264680.db2.gz FIBQOQRPDJXLKA-SREGZZRCSA-N -1 1 348.808 2.338 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])s1 ZINC000066000770 681278200 /nfs/dbraw/zinc/27/82/00/681278200.db2.gz OGOPVANQSFMOBL-UHFFFAOYSA-N -1 1 343.342 2.043 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC001137177519 1201854482 /nfs/dbraw/zinc/85/44/82/1201854482.db2.gz QNENOESWDWAHMN-NEPJUHHUSA-N -1 1 333.344 2.059 10 5 EEBEMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000859342134 1294401165 /nfs/dbraw/zinc/40/11/65/1294401165.db2.gz VHHMTPKOQYRBQL-LOKDSWTASA-N -1 1 348.808 2.338 10 5 EEBEMM O=C(NCc1ccc([O-])c(Cl)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001154106183 1316958583 /nfs/dbraw/zinc/95/85/83/1316958583.db2.gz ZTSKBEGBDHWCEF-UHFFFAOYSA-N -1 1 331.115 2.260 10 5 EEBEMM Cc1nn(CCC(=O)Nc2cc([O-])c(F)cc2F)c(C)c1[N+](=O)[O-] ZINC001160917411 1320315103 /nfs/dbraw/zinc/31/51/03/1320315103.db2.gz TYZLWZVFQWIYTF-UHFFFAOYSA-N -1 1 340.286 2.421 10 5 EEBEMM COc1ccc(C[C@@H](C)N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001324700558 1333741713 /nfs/dbraw/zinc/74/17/13/1333741713.db2.gz NVSFWYQFDVCVJZ-LLVKDONJSA-N -1 1 345.355 2.407 10 5 EEBEMM CN(Cc1ccc2cc[nH]c2c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001175354922 798084861 /nfs/dbraw/zinc/08/48/61/798084861.db2.gz SFUWXRTXFLKJNU-UHFFFAOYSA-N -1 1 326.312 2.449 10 5 EEBEMM Cc1[n-][nH]c(=O)c1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001468548237 1110476397 /nfs/dbraw/zinc/47/63/97/1110476397.db2.gz HSKGMGGVCXPTSA-UHFFFAOYSA-N -1 1 328.687 2.306 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(CCO)CCC1 ZINC000127347367 292323760 /nfs/dbraw/zinc/32/37/60/292323760.db2.gz LGSOUMALWVICRT-UHFFFAOYSA-N -1 1 348.808 2.079 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](C2CCCCC2)C1 ZINC000375198009 312434301 /nfs/dbraw/zinc/43/43/01/312434301.db2.gz SKIHVGLYGUZAKC-CQSZACIVSA-N -1 1 335.360 2.117 10 5 EEBEMM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1n[nH]cc1[N+](=O)[O-] ZINC000442824839 315213653 /nfs/dbraw/zinc/21/36/53/315213653.db2.gz UAOGCTFCVCWAEA-UHFFFAOYSA-N -1 1 332.194 2.174 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccccc2)s1 ZINC000064242691 462689355 /nfs/dbraw/zinc/68/93/55/462689355.db2.gz NGCPIRRFCYWTGQ-UHFFFAOYSA-N -1 1 328.371 2.014 10 5 EEBEMM CN(C)[C@H](CNC(=O)c1cccc([O-])c1[N+](=O)[O-])c1cccc(F)c1 ZINC000357341137 465963208 /nfs/dbraw/zinc/96/32/08/465963208.db2.gz CKKMSPRJIWAFGI-CQSZACIVSA-N -1 1 347.346 2.472 10 5 EEBEMM COC1CC(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594789256 468684560 /nfs/dbraw/zinc/68/45/60/468684560.db2.gz JYALWGNNPFNMSN-UHFFFAOYSA-N -1 1 348.808 2.342 10 5 EEBEMM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000583570374 468717488 /nfs/dbraw/zinc/71/74/88/468717488.db2.gz OLXBKUYWUXGGSW-SMDDNHRTSA-N -1 1 345.359 2.283 10 5 EEBEMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccncc1 ZINC000610518362 468992345 /nfs/dbraw/zinc/99/23/45/468992345.db2.gz DXZPGJNXOOFVIQ-SECBINFHSA-N -1 1 327.387 2.133 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(CCO)CCC1 ZINC000127344737 687452429 /nfs/dbraw/zinc/45/24/29/687452429.db2.gz HGMYFXKOARNANI-UHFFFAOYSA-N -1 1 348.808 2.079 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CO[C@H](C2CC2)C1 ZINC000859368261 1294413212 /nfs/dbraw/zinc/41/32/12/1294413212.db2.gz XEQMYTMMQSGBGC-JQWIXIFHSA-N -1 1 346.792 2.094 10 5 EEBEMM Cc1cnc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)[n-]c1=O ZINC001166227550 1321682785 /nfs/dbraw/zinc/68/27/85/1321682785.db2.gz LOAWKMIBHDRYEX-UHFFFAOYSA-N -1 1 338.320 2.269 10 5 EEBEMM O=C(Cc1ccc([N+](=O)[O-])cc1)NCCc1c(F)cc([O-])cc1F ZINC001304013889 1331373842 /nfs/dbraw/zinc/37/38/42/1331373842.db2.gz NLRVPFYRRZZDQK-UHFFFAOYSA-N -1 1 336.294 2.480 10 5 EEBEMM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001328618340 1334489630 /nfs/dbraw/zinc/48/96/30/1334489630.db2.gz HIQQVEGJAHWBMI-UHFFFAOYSA-N -1 1 341.121 2.049 10 5 EEBEMM Cc1nc([C@H](C)[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)no1 ZINC001329940062 1334745767 /nfs/dbraw/zinc/74/57/67/1334745767.db2.gz KMSOTXDORCUSQG-ZETCQYMHSA-N -1 1 342.258 2.135 10 5 EEBEMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC001558611982 1342485233 /nfs/dbraw/zinc/48/52/33/1342485233.db2.gz HXCXYUIKFPMYPA-SECBINFHSA-N -1 1 329.312 2.121 10 5 EEBEMM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC001596200782 1349903370 /nfs/dbraw/zinc/90/33/70/1349903370.db2.gz QGXKLMXGZMUUDE-UHFFFAOYSA-N -1 1 341.283 2.301 10 5 EEBEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001596668163 1349909895 /nfs/dbraw/zinc/90/98/95/1349909895.db2.gz FAIHURZRPFBLMT-SSDOTTSWSA-N -1 1 334.357 2.179 10 5 EEBEMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)c1ccccc1 ZINC000808339578 812605645 /nfs/dbraw/zinc/60/56/45/812605645.db2.gz UUWMOJIJKCPCGI-TVQRCGJNSA-N -1 1 342.398 2.057 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC001460023822 1110253083 /nfs/dbraw/zinc/25/30/83/1110253083.db2.gz QSEJZKKJXAZSGG-UHFFFAOYSA-N -1 1 332.316 2.364 10 5 EEBEMM COc1ccc([N-]C(=O)c2cc(-c3ccn(C)n3)on2)c([N+](=O)[O-])c1 ZINC001530565407 1122010662 /nfs/dbraw/zinc/01/06/62/1122010662.db2.gz JMORKRQLASLSLL-UHFFFAOYSA-N -1 1 343.299 2.244 10 5 EEBEMM CN1CC[C@@H](NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000183556775 529795997 /nfs/dbraw/zinc/79/59/97/529795997.db2.gz HEUXHNHFICYSPL-PBHICJAKSA-N -1 1 341.367 2.476 10 5 EEBEMM CN(C)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000345649575 161319415 /nfs/dbraw/zinc/31/94/15/161319415.db2.gz VIHBODDAGLZVFH-MRXNPFEDSA-N -1 1 347.346 2.472 10 5 EEBEMM COc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c([O-])c1 ZINC000350568398 312330686 /nfs/dbraw/zinc/33/06/86/312330686.db2.gz PKJHORWEQQJKTI-UHFFFAOYSA-N -1 1 328.284 2.345 10 5 EEBEMM Cc1ccccc1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001365 462846260 /nfs/dbraw/zinc/84/62/60/462846260.db2.gz NATGADFIQGJGMJ-UHFFFAOYSA-N -1 1 342.398 2.322 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)s1 ZINC000134644045 463065124 /nfs/dbraw/zinc/06/51/24/463065124.db2.gz WTUGCGHTOUYAPA-SNVBAGLBSA-N -1 1 346.430 2.426 10 5 EEBEMM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365207704 466745825 /nfs/dbraw/zinc/74/58/25/466745825.db2.gz XZRRHTYPTKHBNU-IUODEOHRSA-N -1 1 343.339 2.203 10 5 EEBEMM Cc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760433 468677633 /nfs/dbraw/zinc/67/76/33/468677633.db2.gz SDGPRHUZZHCYCU-ZDUSSCGKSA-N -1 1 333.369 2.264 10 5 EEBEMM Cc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594780799 468682705 /nfs/dbraw/zinc/68/27/05/468682705.db2.gz SSQUEOJYSCFJDS-GFCCVEGCSA-N -1 1 349.368 2.100 10 5 EEBEMM CN(C[C@@H]1CCc2ccccc21)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598470812 468876747 /nfs/dbraw/zinc/87/67/47/468876747.db2.gz SPOUYRMUWVYKFV-LBPRGKRZSA-N -1 1 327.340 2.497 10 5 EEBEMM O=C(Nc1cnn(-c2ccncc2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000586770215 469060933 /nfs/dbraw/zinc/06/09/33/469060933.db2.gz MHDHHEJDFDZAAB-UHFFFAOYSA-N -1 1 325.284 2.133 10 5 EEBEMM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)o1 ZINC000599317716 469208125 /nfs/dbraw/zinc/20/81/25/469208125.db2.gz WKEQNUMNULHVHY-UHFFFAOYSA-N -1 1 331.375 2.048 10 5 EEBEMM COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc2[nH]ccc21 ZINC000425984169 536559531 /nfs/dbraw/zinc/55/95/31/536559531.db2.gz ZBBXEAIQFMNQNP-UHFFFAOYSA-N -1 1 328.284 2.443 10 5 EEBEMM CC(=CC(=O)NC1(c2nn[n-]n2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752407188 577770468 /nfs/dbraw/zinc/77/04/68/577770468.db2.gz HNEKJTHNOAHDFV-ZHACJKMWSA-N -1 1 342.359 2.097 10 5 EEBEMM CSc1ccc([N+](=O)[O-])cc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001270631491 1185253035 /nfs/dbraw/zinc/25/30/35/1185253035.db2.gz QTXZROPQQASJTN-UHFFFAOYSA-N -1 1 343.368 2.224 10 5 EEBEMM CSc1ncc(C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC001468484858 1110475291 /nfs/dbraw/zinc/47/52/91/1110475291.db2.gz ASLUBLVNASYQMN-UHFFFAOYSA-N -1 1 348.384 2.477 10 5 EEBEMM COC(=O)c1nsc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001521211342 1119223487 /nfs/dbraw/zinc/22/34/87/1119223487.db2.gz FFDVUTQXVGZVDG-UHFFFAOYSA-N -1 1 342.720 2.139 10 5 EEBEMM O=c1[n-]cnc(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000040659884 213364807 /nfs/dbraw/zinc/36/48/07/213364807.db2.gz QDVFISHVSWWEBP-UHFFFAOYSA-N -1 1 335.629 2.489 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]CC2CCCCCC2)c([N+](=O)[O-])n1 ZINC000451807244 243270420 /nfs/dbraw/zinc/27/04/20/243270420.db2.gz ARLNUEFJZLFYCO-UHFFFAOYSA-N -1 1 330.410 2.060 10 5 EEBEMM COCCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000125376518 292296251 /nfs/dbraw/zinc/29/62/51/292296251.db2.gz XCLKRQHPTNOKET-UHFFFAOYSA-N -1 1 334.419 2.141 10 5 EEBEMM CCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000107703505 159335026 /nfs/dbraw/zinc/33/50/26/159335026.db2.gz XIHTYTVXRIEFPK-UHFFFAOYSA-N -1 1 345.377 2.231 10 5 EEBEMM C[C@@]1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000364056734 165012196 /nfs/dbraw/zinc/01/21/96/165012196.db2.gz LZJUGNCHAKHVGL-QGZVFWFLSA-N -1 1 327.340 2.499 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)COC3)s1 ZINC000431275785 314622652 /nfs/dbraw/zinc/62/26/52/314622652.db2.gz SDKIPTXICXYMBO-UHFFFAOYSA-N -1 1 340.382 2.165 10 5 EEBEMM CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CN2CCC1CC2 ZINC000570046832 319631714 /nfs/dbraw/zinc/63/17/14/319631714.db2.gz NWWYTBONXDFFDU-ZDUSSCGKSA-N -1 1 339.779 2.120 10 5 EEBEMM CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000272007666 464444330 /nfs/dbraw/zinc/44/43/30/464444330.db2.gz FNXAPGWQQAZBRP-UHFFFAOYSA-N -1 1 336.797 2.076 10 5 EEBEMM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000192867814 465010885 /nfs/dbraw/zinc/01/08/85/465010885.db2.gz JVCIQJZBUGGFOZ-UHFFFAOYSA-N -1 1 333.251 2.421 10 5 EEBEMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCCO1 ZINC000594489344 468607427 /nfs/dbraw/zinc/60/74/27/468607427.db2.gz ZHVQUMNQCGZYGC-UWVGGRQHSA-N -1 1 334.419 2.282 10 5 EEBEMM COc1cc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC000571881477 468853470 /nfs/dbraw/zinc/85/34/70/468853470.db2.gz QJIKRAOPKWEJED-CMPLNLGQSA-N -1 1 338.360 2.155 10 5 EEBEMM Cc1sc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588144894 469121405 /nfs/dbraw/zinc/12/14/05/469121405.db2.gz YMLKLEZLOWQASE-QMMMGPOBSA-N -1 1 326.346 2.431 10 5 EEBEMM Cc1c(NC(=O)[C@H](C)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000563127458 469177432 /nfs/dbraw/zinc/17/74/32/469177432.db2.gz XQMCUNOUCQPBOI-KGYLQXTDSA-N -1 1 349.387 2.273 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)nc2)s1 ZINC000066333674 681522410 /nfs/dbraw/zinc/52/24/10/681522410.db2.gz YOUIEGCUUUQPIC-UHFFFAOYSA-N -1 1 333.778 2.183 10 5 EEBEMM C/C(=C/C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccc([N+](=O)[O-])cc1 ZINC000801704801 1236059323 /nfs/dbraw/zinc/05/93/23/1236059323.db2.gz UODYIBAGTHKORF-MTFUZOHXSA-N -1 1 337.339 2.292 10 5 EEBEMM Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)c([O-])c2)n1 ZINC001321582990 1333128088 /nfs/dbraw/zinc/12/80/88/1333128088.db2.gz MDPSMWSIGWAKPN-UHFFFAOYSA-N -1 1 341.121 2.049 10 5 EEBEMM O=C(NCC[C@H]1OCCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001651240563 1354046145 /nfs/dbraw/zinc/04/61/45/1354046145.db2.gz ZNQFEDSGDZSUGE-OAHLLOKOSA-N -1 1 343.339 2.129 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCOC2)s1 ZINC000921857587 797666000 /nfs/dbraw/zinc/66/60/00/797666000.db2.gz XLPDRCAMAWEDGA-GXFFZTMASA-N -1 1 346.430 2.140 10 5 EEBEMM C[C@]1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCOC2(CCC2)C1 ZINC001455914890 1108995799 /nfs/dbraw/zinc/99/57/99/1108995799.db2.gz IGCHTXWMDFZAAV-HNNXBMFYSA-N -1 1 335.360 2.165 10 5 EEBEMM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000451814062 243276722 /nfs/dbraw/zinc/27/67/22/243276722.db2.gz FTWJCRDPMXIZPZ-QWRGUYRKSA-N -1 1 348.446 2.386 10 5 EEBEMM Cc1cscc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000439055417 315065878 /nfs/dbraw/zinc/06/58/78/315065878.db2.gz LGBFLIXKSYKHKI-UHFFFAOYSA-N -1 1 342.354 2.464 10 5 EEBEMM Cc1[nH]nc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1[N+](=O)[O-] ZINC000442826308 315213863 /nfs/dbraw/zinc/21/38/63/315213863.db2.gz XAACIWXWGAPJTQ-UHFFFAOYSA-N -1 1 346.221 2.483 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000546615899 318255584 /nfs/dbraw/zinc/25/55/84/318255584.db2.gz GCMLHYHOFRUDOB-UHFFFAOYSA-N -1 1 343.311 2.406 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCOCC2)s1 ZINC000593630643 469069625 /nfs/dbraw/zinc/06/96/25/469069625.db2.gz XTSOKKRYRUQEGV-ZDUSSCGKSA-N -1 1 346.430 2.140 10 5 EEBEMM C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000599204588 469163389 /nfs/dbraw/zinc/16/33/89/469163389.db2.gz NYCUFWHWEDYRFK-MRVPVSSYSA-N -1 1 344.780 2.021 10 5 EEBEMM COc1cccc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000769044651 577567888 /nfs/dbraw/zinc/56/78/88/577567888.db2.gz BIFZOMPWPVARAE-UHFFFAOYSA-N -1 1 331.280 2.349 10 5 EEBEMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccccc1F ZINC000769045012 577567911 /nfs/dbraw/zinc/56/79/11/577567911.db2.gz ACVZSTPWFHEQSW-UHFFFAOYSA-N -1 1 334.259 2.235 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC001137177522 1201854506 /nfs/dbraw/zinc/85/45/06/1201854506.db2.gz QNENOESWDWAHMN-VXGBXAGGSA-N -1 1 333.344 2.059 10 5 EEBEMM O=C([O-])[C@]12C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]1COCC2 ZINC000901950275 1236698151 /nfs/dbraw/zinc/69/81/51/1236698151.db2.gz TZYMYTYULISYHQ-XHDPSFHLSA-N -1 1 340.763 2.171 10 5 EEBEMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000859342138 1294401442 /nfs/dbraw/zinc/40/14/42/1294401442.db2.gz VHHMTPKOQYRBQL-VXFNFUGZSA-N -1 1 348.808 2.338 10 5 EEBEMM COc1cccc([O-])c1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001138020678 1314532582 /nfs/dbraw/zinc/53/25/82/1314532582.db2.gz MVBHGOZXSDAGRB-UHFFFAOYSA-N -1 1 328.284 2.438 10 5 EEBEMM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cnncc1[O-] ZINC001297324287 1329961328 /nfs/dbraw/zinc/96/13/28/1329961328.db2.gz VZXXBEAJWQDSGB-UHFFFAOYSA-N -1 1 342.233 2.039 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2cccnc2)C1 ZINC001299934178 1330169269 /nfs/dbraw/zinc/16/92/69/1330169269.db2.gz AMXDZXNSWWSGFA-LBPRGKRZSA-N -1 1 328.328 2.110 10 5 EEBEMM CSC1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCCC1 ZINC001639062227 1352693684 /nfs/dbraw/zinc/69/36/84/1352693684.db2.gz GGSDMUDADWFTQS-UHFFFAOYSA-N -1 1 325.390 2.491 10 5 EEBEMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC001650852027 1354031380 /nfs/dbraw/zinc/03/13/80/1354031380.db2.gz YRXZNUPUGOUCGO-GFCCVEGCSA-N -1 1 329.312 2.087 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000193698165 240273167 /nfs/dbraw/zinc/27/31/67/240273167.db2.gz DYGVHJACBGCDJI-WCQYABFASA-N -1 1 347.327 2.017 10 5 EEBEMM COc1ccccc1CCN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000104906914 159293409 /nfs/dbraw/zinc/29/34/09/159293409.db2.gz RPFPLJZDBFLTTC-UHFFFAOYSA-N -1 1 331.328 2.019 10 5 EEBEMM CCc1noc(C)c1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000339178904 160834341 /nfs/dbraw/zinc/83/43/41/160834341.db2.gz AFYLPAPZKPTUMR-UHFFFAOYSA-N -1 1 333.300 2.477 10 5 EEBEMM Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c2c(n1)CCCC2 ZINC000414471358 313029828 /nfs/dbraw/zinc/02/98/28/313029828.db2.gz QQYKSPJAMWBRKO-UHFFFAOYSA-N -1 1 347.396 2.400 10 5 EEBEMM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C(C)(C)O1 ZINC000183310565 323404241 /nfs/dbraw/zinc/40/42/41/323404241.db2.gz IZJYBNFZWMASAL-QMMMGPOBSA-N -1 1 334.419 2.281 10 5 EEBEMM O=C(N[C@@H](c1nccs1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356847417 465572463 /nfs/dbraw/zinc/57/24/63/465572463.db2.gz ZYQPGYCQGRSSDT-ZETCQYMHSA-N -1 1 348.262 2.185 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)s1 ZINC000429910275 467381018 /nfs/dbraw/zinc/38/10/18/467381018.db2.gz NJJUOWDSBIJAIA-ZETCQYMHSA-N -1 1 326.346 2.370 10 5 EEBEMM CC(C)c1nc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)no1 ZINC000187145212 528319438 /nfs/dbraw/zinc/31/94/38/528319438.db2.gz ICZXIMZFHLXGHK-SNVBAGLBSA-N -1 1 347.331 2.179 10 5 EEBEMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000770590585 577599509 /nfs/dbraw/zinc/59/95/09/577599509.db2.gz XOTFQNDKZSBKIN-SECBINFHSA-N -1 1 342.311 2.370 10 5 EEBEMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000755361831 577824213 /nfs/dbraw/zinc/82/42/13/577824213.db2.gz JQMHJHRTZBZQMM-KHPPLWFESA-N -1 1 342.359 2.097 10 5 EEBEMM CC1(C)CCC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC001611620184 1352303063 /nfs/dbraw/zinc/30/30/63/1352303063.db2.gz FCKNQKHPZFSQEV-MRXNPFEDSA-N -1 1 337.376 2.147 10 5 EEBEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001652916020 1354107914 /nfs/dbraw/zinc/10/79/14/1354107914.db2.gz FDRJJUBOQBUXJM-QMMMGPOBSA-N -1 1 348.384 2.221 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccccc2)CC1 ZINC001653785267 1354132720 /nfs/dbraw/zinc/13/27/20/1354132720.db2.gz NFDPJJILOFLFQI-HNNXBMFYSA-N -1 1 343.339 2.299 10 5 EEBEMM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000817145746 784537673 /nfs/dbraw/zinc/53/76/73/784537673.db2.gz MDXZWVKDQAAQPI-GHMZBOCLSA-N -1 1 348.808 2.484 10 5 EEBEMM O=C(Nc1cccc2[nH]nnc21)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001468251012 1110470967 /nfs/dbraw/zinc/47/09/67/1110470967.db2.gz YURBRHFIOZLOJM-UHFFFAOYSA-N -1 1 333.691 2.477 10 5 EEBEMM CCCc1cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)[nH]n1 ZINC000126531463 292312662 /nfs/dbraw/zinc/31/26/62/292312662.db2.gz SHKVZXIDNLMSLH-UHFFFAOYSA-N -1 1 340.361 2.080 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2nccs2)s1 ZINC000352723437 162260868 /nfs/dbraw/zinc/26/08/68/162260868.db2.gz BQOQKIQCKUJKIU-UHFFFAOYSA-N -1 1 333.416 2.024 10 5 EEBEMM Cc1nc2c(s1)[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CCC2 ZINC000360641624 282031609 /nfs/dbraw/zinc/03/16/09/282031609.db2.gz KTQLKWTWUYHBGP-NSHDSACASA-N -1 1 334.357 2.268 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3O)s1 ZINC000443196515 315233178 /nfs/dbraw/zinc/23/31/78/315233178.db2.gz NTXDJYUHIGIPOW-SNVBAGLBSA-N -1 1 340.382 2.328 10 5 EEBEMM O=C(Nc1ccc(F)cc1N1CCOCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000458317849 315697806 /nfs/dbraw/zinc/69/78/06/315697806.db2.gz CDAIVDOTCLWNFY-UHFFFAOYSA-N -1 1 334.307 2.151 10 5 EEBEMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CO2 ZINC000152588511 462552824 /nfs/dbraw/zinc/55/28/24/462552824.db2.gz PFXYFECFGNSJNY-SNVBAGLBSA-N -1 1 340.382 2.377 10 5 EEBEMM Cc1ccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064241937 462689518 /nfs/dbraw/zinc/68/95/18/462689518.db2.gz UOADXPFTTDFUSQ-UHFFFAOYSA-N -1 1 342.398 2.322 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(F)(c2ccccc2F)C1 ZINC000590436794 468256305 /nfs/dbraw/zinc/25/63/05/468256305.db2.gz CFFWXXMSLJXYGN-UHFFFAOYSA-N -1 1 335.266 2.155 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000600775410 468654190 /nfs/dbraw/zinc/65/41/90/468654190.db2.gz NRAAPYAPVVQGRQ-NSHDSACASA-N -1 1 329.312 2.031 10 5 EEBEMM CC(C)[C@@H](O)[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000598774728 468999706 /nfs/dbraw/zinc/99/97/06/468999706.db2.gz LIEXQGJYGIBLDA-HUUCEWRRSA-N -1 1 345.355 2.183 10 5 EEBEMM COC(=O)c1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)no1 ZINC001272351020 1190780577 /nfs/dbraw/zinc/78/05/77/1190780577.db2.gz WVKPWMCHPUVJTC-UHFFFAOYSA-N -1 1 325.664 2.275 10 5 EEBEMM CC1(C)CCC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC001611620183 1352303164 /nfs/dbraw/zinc/30/31/64/1352303164.db2.gz FCKNQKHPZFSQEV-INIZCTEOSA-N -1 1 337.376 2.147 10 5 EEBEMM O=C(Nc1cc([N+](=O)[O-])n[nH]1)c1cc(Br)ccc1[O-] ZINC001558336084 1342473195 /nfs/dbraw/zinc/47/31/95/1342473195.db2.gz QSXHUUFSCLPZEN-UHFFFAOYSA-N -1 1 327.094 2.038 10 5 EEBEMM C[C@@]1(C2CCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)COC(=O)N1 ZINC001176209589 798379973 /nfs/dbraw/zinc/37/99/73/798379973.db2.gz HPIDSUAXCCSQBI-INIZCTEOSA-N -1 1 335.360 2.011 10 5 EEBEMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc3cc(Cl)ccn3n2)n1 ZINC001524489171 1120138403 /nfs/dbraw/zinc/13/84/03/1120138403.db2.gz IWKGINFPUVGMCV-UHFFFAOYSA-N -1 1 332.707 2.247 10 5 EEBEMM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)n2)nn1-c1ccccc1 ZINC001526689430 1120569391 /nfs/dbraw/zinc/56/93/91/1120569391.db2.gz SVZIHIXYOLVXGG-UHFFFAOYSA-N -1 1 338.327 2.440 10 5 EEBEMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2ccncc2)n[nH]1 ZINC000163196476 463570089 /nfs/dbraw/zinc/57/00/89/463570089.db2.gz WVMFSCWAWKAZQH-UHFFFAOYSA-N -1 1 345.340 2.181 10 5 EEBEMM COc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064240762 462689338 /nfs/dbraw/zinc/68/93/38/462689338.db2.gz AVKOAURRNYNDFM-UHFFFAOYSA-N -1 1 342.398 2.186 10 5 EEBEMM Cc1cccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000064243643 462691289 /nfs/dbraw/zinc/69/12/89/462691289.db2.gz LWTBWXRCXLQTEW-UHFFFAOYSA-N -1 1 342.398 2.322 10 5 EEBEMM Cc1csc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)n1 ZINC000171275268 463833499 /nfs/dbraw/zinc/83/34/99/463833499.db2.gz XLUSNEBERNGXAW-UHFFFAOYSA-N -1 1 348.384 2.480 10 5 EEBEMM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000583570371 468717798 /nfs/dbraw/zinc/71/77/98/468717798.db2.gz OLXBKUYWUXGGSW-BXUZGUMPSA-N -1 1 345.359 2.283 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1 ZINC000599482488 469272477 /nfs/dbraw/zinc/27/24/77/469272477.db2.gz PLFQJRBZOCXVDG-BXKDBHETSA-N -1 1 346.792 2.094 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC001128847338 1195822384 /nfs/dbraw/zinc/82/23/84/1195822384.db2.gz OPCVYLOQJUHSIA-UHFFFAOYSA-N -1 1 338.707 2.400 10 5 EEBEMM Cc1noc([C@H](C)[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)n1 ZINC000848581679 1338724501 /nfs/dbraw/zinc/72/45/01/1338724501.db2.gz BSFVNZJQPOJRSL-ZETCQYMHSA-N -1 1 342.258 2.135 10 5 EEBEMM O=C(Nc1ccc(F)cc1[O-])c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001648671691 1353438699 /nfs/dbraw/zinc/43/86/99/1353438699.db2.gz GBZAIBDAMSHEIP-UHFFFAOYSA-N -1 1 343.274 2.273 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)c([N+](=O)[O-])s1 ZINC000921616125 789861151 /nfs/dbraw/zinc/86/11/51/789861151.db2.gz JVUCPTWFODUYCP-NKWVEPMBSA-N -1 1 344.336 2.441 10 5 EEBEMM Cc1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)s1 ZINC001524539741 1120162387 /nfs/dbraw/zinc/16/23/87/1120162387.db2.gz JUNWSXOKINDTHU-UHFFFAOYSA-N -1 1 336.329 2.168 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cscn1 ZINC000051159565 214080622 /nfs/dbraw/zinc/08/06/22/214080622.db2.gz PMSCDLWJUNBECE-UHFFFAOYSA-N -1 1 333.778 2.183 10 5 EEBEMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(O)c1F ZINC000536394074 317995342 /nfs/dbraw/zinc/99/53/42/317995342.db2.gz HDTJJPNYSOKJGW-UHFFFAOYSA-N -1 1 342.304 2.249 10 5 EEBEMM CC(=O)[N-]C(=O)c1ccccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005831504 462669507 /nfs/dbraw/zinc/66/95/07/462669507.db2.gz MIGYCTOXLWUJTJ-UHFFFAOYSA-N -1 1 342.307 2.133 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)s1 ZINC000134644066 463065471 /nfs/dbraw/zinc/06/54/71/463065471.db2.gz WTUGCGHTOUYAPA-JTQLQIEISA-N -1 1 346.430 2.426 10 5 EEBEMM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000263389820 464097125 /nfs/dbraw/zinc/09/71/25/464097125.db2.gz COMJMUUJFSTIKI-PWSUYJOCSA-N -1 1 346.343 2.234 10 5 EEBEMM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000594479914 468601039 /nfs/dbraw/zinc/60/10/39/468601039.db2.gz IIRRHAHFIRGBKE-KYZUINATSA-N -1 1 334.419 2.281 10 5 EEBEMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCCO1 ZINC000594489345 468607126 /nfs/dbraw/zinc/60/71/26/468607126.db2.gz ZHVQUMNQCGZYGC-VHSXEESVSA-N -1 1 334.419 2.282 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)s1 ZINC000610858727 469092548 /nfs/dbraw/zinc/09/25/48/469092548.db2.gz OEAUHGRGODAZLI-VIFPVBQESA-N -1 1 332.403 2.036 10 5 EEBEMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]C(=O)c1nc(-c2cnccn2)no1 ZINC001623974973 1352410229 /nfs/dbraw/zinc/41/02/29/1352410229.db2.gz NLUOKXKJPCFPDF-UHFFFAOYSA-N -1 1 340.299 2.304 10 5 EEBEMM C[S@@](=O)(=NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC001635438795 1352646251 /nfs/dbraw/zinc/64/62/51/1352646251.db2.gz ISTZTMYJIJOKHX-QFIPXVFZSA-N -1 1 327.362 2.266 10 5 EEBEMM Cc1nc(Cl)sc1S(=O)(=O)[N-]Cc1ccccc1[N+](=O)[O-] ZINC000050015889 214040508 /nfs/dbraw/zinc/04/05/08/214040508.db2.gz VOVMKNLQSDXJTF-UHFFFAOYSA-N -1 1 347.805 2.492 10 5 EEBEMM Cc1csc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)n1 ZINC000173752038 152193995 /nfs/dbraw/zinc/19/39/95/152193995.db2.gz CGYZMGBYLKMIDV-JTQLQIEISA-N -1 1 348.384 2.480 10 5 EEBEMM COc1cccc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000352908327 162340897 /nfs/dbraw/zinc/34/08/97/162340897.db2.gz HEUZVMVEZADFBO-JTQLQIEISA-N -1 1 331.328 2.065 10 5 EEBEMM Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277805695 269185081 /nfs/dbraw/zinc/18/50/81/269185081.db2.gz WWCRQCAIKYCLNZ-LBPRGKRZSA-N -1 1 329.312 2.176 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])n1 ZINC000339040305 465044926 /nfs/dbraw/zinc/04/49/26/465044926.db2.gz GOWQSXXGQFJOQA-VXGBXAGGSA-N -1 1 344.437 2.304 10 5 EEBEMM O=C(N[C@H]1C[C@H](Oc2ccccc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598769224 468996650 /nfs/dbraw/zinc/99/66/50/468996650.db2.gz IOYOGIDAJZRVBK-MJHDQNEOSA-N -1 1 329.312 2.035 10 5 EEBEMM CC(C)(C(=O)[O-])n1cc(Nc2nc3sccn3c2[N+](=O)[O-])cn1 ZINC000595978422 469105033 /nfs/dbraw/zinc/10/50/33/469105033.db2.gz MAEJXTNGSPBYKR-UHFFFAOYSA-N -1 1 336.333 2.064 10 5 EEBEMM C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C(=O)[O-] ZINC000563125591 469177031 /nfs/dbraw/zinc/17/70/31/469177031.db2.gz QEQOPHHBCJDCJC-GXFFZTMASA-N -1 1 346.343 2.187 10 5 EEBEMM COc1ccc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1[N+](=O)[O-] ZINC000610335952 470005315 /nfs/dbraw/zinc/00/53/15/470005315.db2.gz RDGDTOWYSUSERL-UHFFFAOYSA-N -1 1 342.304 2.249 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)cc1F ZINC000867549344 1201631964 /nfs/dbraw/zinc/63/19/64/1201631964.db2.gz LEFZSFNPAVFRSH-QMMMGPOBSA-N -1 1 338.307 2.366 10 5 EEBEMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1coc2c1C(=O)NCCC2 ZINC001124396417 1310893200 /nfs/dbraw/zinc/89/32/00/1310893200.db2.gz NLRLXNMKQQAZJV-UHFFFAOYSA-N -1 1 333.275 2.255 10 5 EEBEMM CSc1ncc(C(=O)NC[C@H](C)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC001304194432 1331381646 /nfs/dbraw/zinc/38/16/46/1331381646.db2.gz YKQGZKPZHGEQDK-VIFPVBQESA-N -1 1 348.384 2.346 10 5 EEBEMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000848509056 1338712880 /nfs/dbraw/zinc/71/28/80/1338712880.db2.gz JZWYENNEMWNSFG-NWDGAFQWSA-N -1 1 346.380 2.360 10 5 EEBEMM CCc1nc([C@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)no1 ZINC001586491115 1348851581 /nfs/dbraw/zinc/85/15/81/1348851581.db2.gz JOVAYZZRASWYNL-SNVBAGLBSA-N -1 1 347.331 2.008 10 5 EEBEMM COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000921425056 773353918 /nfs/dbraw/zinc/35/39/18/773353918.db2.gz VTCVUYNUMDHWDE-SECBINFHSA-N -1 1 334.369 2.134 10 5 EEBEMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCS1 ZINC000921713553 795587992 /nfs/dbraw/zinc/58/79/92/795587992.db2.gz AFPOZTMMEJNUDI-DTWKUNHWSA-N -1 1 334.394 2.296 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1([C@H]2CCCCO2)CC1 ZINC000922103344 798944907 /nfs/dbraw/zinc/94/49/07/798944907.db2.gz YAIUBORJCNXVNL-GFCCVEGCSA-N -1 1 344.364 2.114 10 5 EEBEMM O=C(Cc1ccccc1[N+](=O)[O-])NCCc1c(F)cc([O-])cc1F ZINC001456192170 1109110418 /nfs/dbraw/zinc/11/04/18/1109110418.db2.gz MKVMOLBXEQXRID-UHFFFAOYSA-N -1 1 336.294 2.480 10 5 EEBEMM CCOc1ccc(CCN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001472294522 1110551088 /nfs/dbraw/zinc/55/10/88/1110551088.db2.gz ZOLAQZURULZPMT-UHFFFAOYSA-N -1 1 345.355 2.409 10 5 EEBEMM O=C([N-]c1n[nH]c(-c2ccncc2)n1)c1cc([N+](=O)[O-])ccc1F ZINC001542618349 1124114785 /nfs/dbraw/zinc/11/47/85/1124114785.db2.gz YLQVZJSDQFHDDD-UHFFFAOYSA-N -1 1 328.263 2.166 10 5 EEBEMM Cc1nccn1-c1ccncc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001543796471 1124135189 /nfs/dbraw/zinc/13/51/89/1124135189.db2.gz COQAUQGFURNXIS-UHFFFAOYSA-N -1 1 339.311 2.442 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC001544579356 1124158810 /nfs/dbraw/zinc/15/88/10/1124158810.db2.gz UVTJSYHVDURMDJ-UHFFFAOYSA-N -1 1 338.707 2.400 10 5 EEBEMM CCC(CC)(CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000053072485 214162972 /nfs/dbraw/zinc/16/29/72/214162972.db2.gz FNPHBCJMCUHPRD-UHFFFAOYSA-N -1 1 336.797 2.078 10 5 EEBEMM CN1CCN(N=c2[n-]cnc(Sc3ccccc3)c2[N+](=O)[O-])CC1 ZINC000040623593 213359226 /nfs/dbraw/zinc/35/92/26/213359226.db2.gz IPLYQYRNLSXDBX-UHFFFAOYSA-N -1 1 346.416 2.110 10 5 EEBEMM CCCc1ncc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000451956250 243325657 /nfs/dbraw/zinc/32/56/57/243325657.db2.gz GLDXNTZMMNAQDI-UHFFFAOYSA-N -1 1 325.346 2.014 10 5 EEBEMM CO[C@](C)([C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000416578546 313263777 /nfs/dbraw/zinc/26/37/77/313263777.db2.gz AUNLPZQAOBBDIT-PRHODGIISA-N -1 1 334.419 2.138 10 5 EEBEMM C[C@H]1CCC[C@H](CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525689324 317067590 /nfs/dbraw/zinc/06/75/90/317067590.db2.gz QPWZOSUKKJTAJN-NWDGAFQWSA-N -1 1 327.406 2.485 10 5 EEBEMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000339112828 465088944 /nfs/dbraw/zinc/08/89/44/465088944.db2.gz UEDTVAFOEWLXRU-HNNXBMFYSA-N -1 1 325.328 2.298 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc(F)c2)s1 ZINC000064244317 462690632 /nfs/dbraw/zinc/69/06/32/462690632.db2.gz MDLKQFLNANLLDJ-UHFFFAOYSA-N -1 1 330.362 2.316 10 5 EEBEMM C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000194244498 463821220 /nfs/dbraw/zinc/82/12/20/463821220.db2.gz UDFAWGNHBLPWLK-SNVBAGLBSA-N -1 1 338.323 2.322 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC[C@H]1CCCOC1 ZINC000599365193 469229349 /nfs/dbraw/zinc/22/93/49/469229349.db2.gz UESZMBHPWOJWEW-SNVBAGLBSA-N -1 1 348.808 2.343 10 5 EEBEMM O=C(NCCc1cnc2ccccc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001649025821 1190957621 /nfs/dbraw/zinc/95/76/21/1190957621.db2.gz CDGAMZJCJZFBJG-UHFFFAOYSA-N -1 1 338.323 2.216 10 5 EEBEMM COc1cnc([C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)[n-]c1=O ZINC001198479362 1285194177 /nfs/dbraw/zinc/19/41/77/1285194177.db2.gz PZFDZIXDUDZDKX-ZDUSSCGKSA-N -1 1 330.344 2.436 10 5 EEBEMM C[C@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC000859359729 1294409546 /nfs/dbraw/zinc/40/95/46/1294409546.db2.gz QELNGLXBSIVPNH-MSRIBSCDSA-N -1 1 328.365 2.448 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(Cc2c(F)cccc2F)C1 ZINC001294170628 1328915615 /nfs/dbraw/zinc/91/56/15/1328915615.db2.gz SQXVNEWYIFQIHQ-UHFFFAOYSA-N -1 1 349.293 2.288 10 5 EEBEMM Cc1nsc([N-]C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)n1 ZINC001265552518 1323216347 /nfs/dbraw/zinc/21/63/47/1323216347.db2.gz MYCVFSDQBUXNDP-UHFFFAOYSA-N -1 1 336.329 2.168 10 5 EEBEMM Cn1ncc([N+](=O)[O-])c1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001612168010 1352306088 /nfs/dbraw/zinc/30/60/88/1352306088.db2.gz PBKFNDFNADSUAU-UHFFFAOYSA-N -1 1 330.344 2.133 10 5 EEBEMM COc1ccccc1C[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001634393383 1352627005 /nfs/dbraw/zinc/62/70/05/1352627005.db2.gz UBRQMNGYKZRLNF-JTQLQIEISA-N -1 1 331.328 2.065 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)s1 ZINC000451805583 243272307 /nfs/dbraw/zinc/27/23/07/243272307.db2.gz VPDVUPHMLUVPPT-SNVBAGLBSA-N -1 1 346.430 2.284 10 5 EEBEMM CCc1cnc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000173806351 152200871 /nfs/dbraw/zinc/20/08/71/152200871.db2.gz UONJSLFLAYXNCK-UHFFFAOYSA-N -1 1 347.443 2.196 10 5 EEBEMM COC(=O)c1cc(C)nc([N-]c2cnn(C(F)F)c2)c1[N+](=O)[O-] ZINC000342828093 161093734 /nfs/dbraw/zinc/09/37/34/161093734.db2.gz BCUPCUIKHJEWIZ-UHFFFAOYSA-N -1 1 327.247 2.420 10 5 EEBEMM COCc1nc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)co1 ZINC000555564961 318596041 /nfs/dbraw/zinc/59/60/41/318596041.db2.gz GHZODNCDIFRPPS-UHFFFAOYSA-N -1 1 349.299 2.077 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2F)s1 ZINC000064243413 462690295 /nfs/dbraw/zinc/69/02/95/462690295.db2.gz OZDCZUMQDGBQND-UHFFFAOYSA-N -1 1 330.362 2.316 10 5 EEBEMM CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000188746540 464358828 /nfs/dbraw/zinc/35/88/28/464358828.db2.gz BQJWPXXLXWQSMV-VIFPVBQESA-N -1 1 348.808 2.484 10 5 EEBEMM O=C([O-])[C@H]1c2ccoc2CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000600674964 468617946 /nfs/dbraw/zinc/61/79/46/468617946.db2.gz QQXVZHGLFCODNN-OAHLLOKOSA-N -1 1 332.312 2.251 10 5 EEBEMM Cc1ccccc1C1([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594794947 468689015 /nfs/dbraw/zinc/68/90/15/468689015.db2.gz MLGTYPMBWVNQNZ-UHFFFAOYSA-N -1 1 333.369 2.266 10 5 EEBEMM O=C(NC[C@@H]1C[C@H]1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001648800032 1176567233 /nfs/dbraw/zinc/56/72/33/1176567233.db2.gz ZVKVKLXDCNTPRT-OLZOCXBDSA-N -1 1 327.340 2.304 10 5 EEBEMM CSCCCC[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000866813514 1201611278 /nfs/dbraw/zinc/61/12/78/1201611278.db2.gz QATLMNIVTFJLJY-UHFFFAOYSA-N -1 1 336.410 2.464 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@]12CCC[C@H]1OCC2 ZINC000867885094 1201699683 /nfs/dbraw/zinc/69/96/83/1201699683.db2.gz HMCACRRSGVXNNR-YPMHNXCESA-N -1 1 346.792 2.238 10 5 EEBEMM COc1ccc(C(=O)CNC(=O)c2ccc([O-])cc2F)cc1[N+](=O)[O-] ZINC001151260555 1316491664 /nfs/dbraw/zinc/49/16/64/1316491664.db2.gz OWCJZGQWBUOXSP-UHFFFAOYSA-N -1 1 348.286 2.061 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1 ZINC001436227541 1342015236 /nfs/dbraw/zinc/01/52/36/1342015236.db2.gz ORSPTJDUEWQGNP-UHFFFAOYSA-N -1 1 336.279 2.194 10 5 EEBEMM COc1cnc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC001653332958 1354120769 /nfs/dbraw/zinc/12/07/69/1354120769.db2.gz JLJFNHCIDKSYNR-LBPRGKRZSA-N -1 1 344.327 2.076 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)s1 ZINC000920045138 770522752 /nfs/dbraw/zinc/52/27/52/770522752.db2.gz SLAIDXZBDZJYLP-RXMQYKEDSA-N -1 1 331.202 2.128 10 5 EEBEMM O=C(c1ccc(F)c([O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001135570241 784001367 /nfs/dbraw/zinc/00/13/67/784001367.db2.gz ZTIIBTXXGIILPV-UHFFFAOYSA-N -1 1 345.330 2.402 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)c2c(C)c(F)ccc2[N+](=O)[O-])n1 ZINC001460023629 1110253239 /nfs/dbraw/zinc/25/32/39/1110253239.db2.gz NVXQYHXDCLUTTM-UHFFFAOYSA-N -1 1 336.279 2.194 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000192825871 160174421 /nfs/dbraw/zinc/17/44/21/160174421.db2.gz YEQXMDZKGPLRDD-UHFFFAOYSA-N -1 1 338.323 2.375 10 5 EEBEMM CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])n[nH]1 ZINC000355333058 163148903 /nfs/dbraw/zinc/14/89/03/163148903.db2.gz HCZANSAJZNUQPX-DTWKUNHWSA-N -1 1 333.348 2.423 10 5 EEBEMM Cc1cccc2c1OCC[C@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000191451841 281290178 /nfs/dbraw/zinc/29/01/78/281290178.db2.gz USLZNETWSPIBGY-GFCCVEGCSA-N -1 1 329.312 2.257 10 5 EEBEMM COC(=O)c1cc(F)cc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c1F ZINC000582156633 324390335 /nfs/dbraw/zinc/39/03/35/324390335.db2.gz UECOZVVGDUXISY-UHFFFAOYSA-N -1 1 337.238 2.307 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]CC[C@H]2CCCC2(C)C)c([N+](=O)[O-])n1 ZINC000599358152 469225266 /nfs/dbraw/zinc/22/52/66/469225266.db2.gz FLANKMZWWWHDLS-LLVKDONJSA-N -1 1 344.437 2.306 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CO[C@H](C2CC2)C1 ZINC000599482491 469272399 /nfs/dbraw/zinc/27/23/99/469272399.db2.gz PLFQJRBZOCXVDG-SKDRFNHKSA-N -1 1 346.792 2.094 10 5 EEBEMM Cn1cc([C@H](O)C[C@@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000770391637 577595326 /nfs/dbraw/zinc/59/53/26/577595326.db2.gz OGVOBNHDKHLCLG-WMLDXEAASA-N -1 1 346.387 2.122 10 5 EEBEMM COc1cc(S(=O)(=O)[N-]c2c(O)cccc2F)ccc1[N+](=O)[O-] ZINC000759165751 577638321 /nfs/dbraw/zinc/63/83/21/577638321.db2.gz VCCXNRCFVXKAPJ-UHFFFAOYSA-N -1 1 342.304 2.249 10 5 EEBEMM CC(=CC(=O)NC1(c2nn[n-]n2)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000752407187 577770438 /nfs/dbraw/zinc/77/04/38/577770438.db2.gz HNEKJTHNOAHDFV-KHPPLWFESA-N -1 1 342.359 2.097 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)[n-]1 ZINC001584257394 1348726592 /nfs/dbraw/zinc/72/65/92/1348726592.db2.gz QDYWJDVRPYPAHR-UHFFFAOYSA-N -1 1 345.311 2.473 10 5 EEBEMM CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)Nc1ncccc1[O-] ZINC001638380841 1352687918 /nfs/dbraw/zinc/68/79/18/1352687918.db2.gz VRQQAZWLWSXIKN-UHFFFAOYSA-N -1 1 334.263 2.045 10 5 EEBEMM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000817145748 784537522 /nfs/dbraw/zinc/53/75/22/784537522.db2.gz MDXZWVKDQAAQPI-QWRGUYRKSA-N -1 1 348.808 2.484 10 5 EEBEMM CCOC(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)[n-]c1Cl ZINC001439498530 1092330342 /nfs/dbraw/zinc/33/03/42/1092330342.db2.gz MKRAIKBRINEPSL-UHFFFAOYSA-N -1 1 338.707 2.400 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC001521254939 1119231653 /nfs/dbraw/zinc/23/16/53/1119231653.db2.gz BJMSGDYJJSNNDG-UHFFFAOYSA-N -1 1 338.707 2.400 10 5 EEBEMM CC(C)COC(=O)c1ccc(Nc2nc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000040649924 213363771 /nfs/dbraw/zinc/36/37/71/213363771.db2.gz SEFDQYYGDVNFNE-UHFFFAOYSA-N -1 1 332.316 2.235 10 5 EEBEMM Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187076108 160091929 /nfs/dbraw/zinc/09/19/29/160091929.db2.gz FWHSGNPSERULFN-GFCCVEGCSA-N -1 1 345.359 2.023 10 5 EEBEMM CC(C)[C@H](O)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000598351032 468839814 /nfs/dbraw/zinc/83/98/14/468839814.db2.gz LLLZDQMPEVQYFV-GJZGRUSLSA-N -1 1 345.355 2.183 10 5 EEBEMM CCn1c(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)n[n-]c1=S ZINC000066635976 681762584 /nfs/dbraw/zinc/76/25/84/681762584.db2.gz BMXFUPJFCUXAFC-UHFFFAOYSA-N -1 1 346.372 2.280 10 5 EEBEMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cncc2nc[nH]c21 ZINC001446827271 1101492472 /nfs/dbraw/zinc/49/24/72/1101492472.db2.gz HNIMZKKYVZOGIL-UHFFFAOYSA-N -1 1 333.691 2.477 10 5 EEBEMM Cc1ccccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064243398 462690315 /nfs/dbraw/zinc/69/03/15/462690315.db2.gz KOWOOWCIUIAQLT-UHFFFAOYSA-N -1 1 326.399 2.486 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CO ZINC000178917873 464013661 /nfs/dbraw/zinc/01/36/61/464013661.db2.gz NFRBBUMZNXAIGO-MWLCHTKSSA-N -1 1 348.808 2.078 10 5 EEBEMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]2CCCO[C@@H]21 ZINC000365606025 466879013 /nfs/dbraw/zinc/87/90/13/466879013.db2.gz CORJZJKFMUZKII-AXTRIDKLSA-N -1 1 346.430 2.138 10 5 EEBEMM CCc1ccc(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])s1 ZINC000594747745 468672314 /nfs/dbraw/zinc/67/23/14/468672314.db2.gz DNURPOHQRUFKMZ-UHFFFAOYSA-N -1 1 327.387 2.092 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)[C@H]2CCCO2)s1 ZINC000601517039 468903825 /nfs/dbraw/zinc/90/38/25/468903825.db2.gz OEROJVBTAOWPBA-MFKMUULPSA-N -1 1 346.430 2.282 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C2CCOCC2)s1 ZINC000593630641 469069481 /nfs/dbraw/zinc/06/94/81/469069481.db2.gz XTSOKKRYRUQEGV-CYBMUJFWSA-N -1 1 346.430 2.140 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOCC1CCC1 ZINC000765163222 577496214 /nfs/dbraw/zinc/49/62/14/577496214.db2.gz RIJZWSADHVMEDV-UHFFFAOYSA-N -1 1 348.808 2.343 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000927276946 1206250247 /nfs/dbraw/zinc/25/02/47/1206250247.db2.gz KKBRLEGLZLZEES-LLVKDONJSA-N -1 1 349.240 2.202 10 5 EEBEMM COC1CC(CC[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000867496971 1284877263 /nfs/dbraw/zinc/87/72/63/1284877263.db2.gz NWNCUMQKNDRHEF-UHFFFAOYSA-N -1 1 346.380 2.136 10 5 EEBEMM Cn1[n-]cc2c(=NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])ccnc1-2 ZINC001436066954 1342010155 /nfs/dbraw/zinc/01/01/55/1342010155.db2.gz PKMGEJVMYDCCOR-UHFFFAOYSA-N -1 1 339.355 2.166 10 5 EEBEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001455326589 1108438036 /nfs/dbraw/zinc/43/80/36/1108438036.db2.gz XTTHWZJAZHKSJK-UHFFFAOYSA-N -1 1 344.331 2.153 10 5 EEBEMM COc1cccc(-c2cc(C(=O)[N-]c3c([N+](=O)[O-])cnn3C)on2)c1 ZINC001459298349 1110138199 /nfs/dbraw/zinc/13/81/99/1110138199.db2.gz LPBNNXCMPGJQPA-UHFFFAOYSA-N -1 1 343.299 2.244 10 5 EEBEMM O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000336787415 465044981 /nfs/dbraw/zinc/04/49/81/465044981.db2.gz DXIXRIIMKLKOKC-AWEZNQCLSA-N -1 1 341.367 2.305 10 5 EEBEMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)s1 ZINC000030015732 463284435 /nfs/dbraw/zinc/28/44/35/463284435.db2.gz HMMCXVPZBSIDQL-ZCFIWIBFSA-N -1 1 327.749 2.489 10 5 EEBEMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCc2ccccc21 ZINC000593853847 468409860 /nfs/dbraw/zinc/40/98/60/468409860.db2.gz GGQSAMASUQOAFO-LLVKDONJSA-N -1 1 327.340 2.497 10 5 EEBEMM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000378146667 467211363 /nfs/dbraw/zinc/21/13/63/467211363.db2.gz XFXWAPOGQGYQET-UHFFFAOYSA-N -1 1 333.354 2.822 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCCO2)s1 ZINC000594475218 468599165 /nfs/dbraw/zinc/59/91/65/468599165.db2.gz SXOCAQYWWMXFDS-MFKMUULPSA-N -1 1 346.430 2.282 10 5 EEBEMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000594853536 468706896 /nfs/dbraw/zinc/70/68/96/468706896.db2.gz ZMFBHMCRNONWST-ZJUUUORDSA-N -1 1 348.808 2.484 10 5 EEBEMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2ncn(C(C)C)n2)cc1OC ZINC000593230424 468911071 /nfs/dbraw/zinc/91/10/71/468911071.db2.gz TZBDKCBXOMOKGW-UHFFFAOYSA-N -1 1 349.347 2.427 10 5 EEBEMM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000599444653 469259358 /nfs/dbraw/zinc/25/93/58/469259358.db2.gz ACLUDLGADRFAMO-UHFFFAOYSA-N -1 1 337.348 2.340 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2cccnc2)CC1 ZINC000618387870 469981669 /nfs/dbraw/zinc/98/16/69/469981669.db2.gz WZGUUVUOTZWCMS-UHFFFAOYSA-N -1 1 328.328 2.110 10 5 EEBEMM O=C(Nc1ccc(-n2ccccc2=O)cc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC001166429264 1321717621 /nfs/dbraw/zinc/71/76/21/1321717621.db2.gz WMTLOAHLZDRMLU-UHFFFAOYSA-N -1 1 342.286 2.465 10 5 EEBEMM O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1n[n-]c(C(F)(F)F)n1 ZINC001617149113 1352337321 /nfs/dbraw/zinc/33/73/21/1352337321.db2.gz SMQBKOKOHYTCQA-UHFFFAOYSA-N -1 1 333.201 2.052 10 5 EEBEMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cnn(CC2CCC2)c1 ZINC001647777554 1353401183 /nfs/dbraw/zinc/40/11/83/1353401183.db2.gz JZWMEOZDDWYCMI-JTQLQIEISA-N -1 1 345.359 2.183 10 5 EEBEMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)cc1Cl ZINC000809839725 783404334 /nfs/dbraw/zinc/40/43/34/783404334.db2.gz LYFFZZWVOLZMPV-IYOMYWLESA-N -1 1 334.756 2.464 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC2CCOCC2)s1 ZINC000451606064 243175903 /nfs/dbraw/zinc/17/59/03/243175903.db2.gz GMFABSWSEVPGFY-UHFFFAOYSA-N -1 1 334.419 2.141 10 5 EEBEMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nccs1 ZINC000186674576 160079538 /nfs/dbraw/zinc/07/95/38/160079538.db2.gz OXVBYAVKDXFYKE-ZETCQYMHSA-N -1 1 333.416 2.195 10 5 EEBEMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC000295247132 293660192 /nfs/dbraw/zinc/66/01/92/293660192.db2.gz WADWNQCXVSQOHT-UHFFFAOYSA-N -1 1 342.295 2.223 10 5 EEBEMM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452646040 315576898 /nfs/dbraw/zinc/57/68/98/315576898.db2.gz OLEZAGLVCXUCTO-CBAPKCEASA-N -1 1 333.266 2.498 10 5 EEBEMM CC(C)(C)OCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000520175334 316842596 /nfs/dbraw/zinc/84/25/96/316842596.db2.gz BULDIZODNQSSRA-UHFFFAOYSA-N -1 1 336.797 2.342 10 5 EEBEMM CCNC(=O)N(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000357601374 466168551 /nfs/dbraw/zinc/16/85/51/466168551.db2.gz AGOUYOJDFWXJRU-UHFFFAOYSA-N -1 1 331.332 2.341 10 5 EEBEMM O=C([O-])[C@H]1c2ccoc2CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000600672978 468616628 /nfs/dbraw/zinc/61/66/28/468616628.db2.gz ASQLYTKVCRJUKS-OAHLLOKOSA-N -1 1 332.312 2.251 10 5 EEBEMM O=C([O-])[C@H]1c2ccoc2CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000600672978 468616634 /nfs/dbraw/zinc/61/66/34/468616634.db2.gz ASQLYTKVCRJUKS-OAHLLOKOSA-N -1 1 332.312 2.251 10 5 EEBEMM Cc1nc(C)c(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000599316761 469207756 /nfs/dbraw/zinc/20/77/56/469207756.db2.gz LQNKEQKDUGCHSW-UHFFFAOYSA-N -1 1 339.373 2.295 10 5 EEBEMM COC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000119699454 1229583465 /nfs/dbraw/zinc/58/34/65/1229583465.db2.gz WGZWEDPYUXVFKH-GFCCVEGCSA-N -1 1 342.398 2.322 10 5 EEBEMM CC(C)O[C@@]1(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCOC1 ZINC001327132821 1334231080 /nfs/dbraw/zinc/23/10/80/1334231080.db2.gz DXUAXWUESIUJOT-HNNXBMFYSA-N -1 1 325.317 2.041 10 5 EEBEMM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000848509054 1338713037 /nfs/dbraw/zinc/71/30/37/1338713037.db2.gz JZWYENNEMWNSFG-NEPJUHHUSA-N -1 1 346.380 2.360 10 5 EEBEMM Cc1cncc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001471302003 1110520320 /nfs/dbraw/zinc/52/03/20/1110520320.db2.gz WXWVMNORYOTSPP-ZDUSSCGKSA-N -1 1 328.328 2.376 10 5 EEBEMM CCC[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000352344023 162095940 /nfs/dbraw/zinc/09/59/40/162095940.db2.gz CBRSPBIYOBSZKK-CYBMUJFWSA-N -1 1 348.808 2.486 10 5 EEBEMM Cc1cccc2nc(CNC(=O)c3cc([O-])ccc3[N+](=O)[O-])[nH]c21 ZINC000354503303 466614217 /nfs/dbraw/zinc/61/42/17/466614217.db2.gz REAPONRDUDMKIZ-UHFFFAOYSA-N -1 1 326.312 2.415 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C(F)(F)F)c([N+](=O)[O-])s1 ZINC000601519738 468904939 /nfs/dbraw/zinc/90/49/39/468904939.db2.gz GYDURYCYINOKGJ-PHDIDXHHSA-N -1 1 330.309 2.194 10 5 EEBEMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000588144625 469121364 /nfs/dbraw/zinc/12/13/64/469121364.db2.gz PQOPPMINYNLNAM-NSHDSACASA-N -1 1 336.316 2.070 10 5 EEBEMM CCC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599205857 469163644 /nfs/dbraw/zinc/16/36/44/469163644.db2.gz KLUWJZDSRQRHMA-LBPRGKRZSA-N -1 1 338.389 2.148 10 5 EEBEMM COc1ccc(Cl)cc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193425763 533858759 /nfs/dbraw/zinc/85/87/59/533858759.db2.gz KYXIPYDVJOZXOP-UHFFFAOYSA-N -1 1 337.719 2.287 10 5 EEBEMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000439144228 518183029 /nfs/dbraw/zinc/18/30/29/518183029.db2.gz WXAHRABWPNJKKM-AMJWSMQMSA-N -1 1 343.339 2.378 10 5 EEBEMM O=C(NCc1n[nH]c(-c2ccccc2)n1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000795934289 1215183563 /nfs/dbraw/zinc/18/35/63/1215183563.db2.gz VSEYLZGEADCSTF-UHFFFAOYSA-N -1 1 339.311 2.016 10 5 EEBEMM O=C(NCc1nc(-c2ccccc2)n[nH]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000795934289 1215183566 /nfs/dbraw/zinc/18/35/66/1215183566.db2.gz VSEYLZGEADCSTF-UHFFFAOYSA-N -1 1 339.311 2.016 10 5 EEBEMM Cn1nnc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)c1C(F)(F)F ZINC001355952972 1338773200 /nfs/dbraw/zinc/77/32/00/1338773200.db2.gz DOKQPJKSHZWTFQ-UHFFFAOYSA-N -1 1 333.201 2.134 10 5 EEBEMM Cc1cc(F)cc(C(=O)[N-]c2n[nH]c(-c3ccccn3)n2)c1[N+](=O)[O-] ZINC001626418321 1352462447 /nfs/dbraw/zinc/46/24/47/1352462447.db2.gz QJLPRQOKDPCVQR-UHFFFAOYSA-N -1 1 342.290 2.475 10 5 EEBEMM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(F)c([O-])cc1Cl ZINC001653076293 1354113424 /nfs/dbraw/zinc/11/34/24/1354113424.db2.gz GLXGGRXJHXXFKK-UHFFFAOYSA-N -1 1 328.687 2.318 10 5 EEBEMM Cc1nnc(SCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH]1 ZINC001466409144 1110435059 /nfs/dbraw/zinc/43/50/59/1110435059.db2.gz WQRBYRVGVNYBAL-UHFFFAOYSA-N -1 1 343.752 2.111 10 5 EEBEMM Cc1n[nH]c(SCC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC001466409144 1110435060 /nfs/dbraw/zinc/43/50/60/1110435060.db2.gz WQRBYRVGVNYBAL-UHFFFAOYSA-N -1 1 343.752 2.111 10 5 EEBEMM O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355903022 153193982 /nfs/dbraw/zinc/19/39/82/153193982.db2.gz YMRPSRRHHICEHT-UHFFFAOYSA-N -1 1 325.284 2.338 10 5 EEBEMM COc1cccc(F)c1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000174371588 464399576 /nfs/dbraw/zinc/39/95/76/464399576.db2.gz LXZNKMOUPRZTLT-MRVPVSSYSA-N -1 1 335.291 2.334 10 5 EEBEMM Cc1cccc2nc(CNC(=O)c3cc([O-])cc([N+](=O)[O-])c3)[nH]c21 ZINC000356738113 465514751 /nfs/dbraw/zinc/51/47/51/465514751.db2.gz ZKQLOIZFIWMJRG-UHFFFAOYSA-N -1 1 326.312 2.415 10 5 EEBEMM COc1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c([N+](=O)[O-])c1 ZINC000588144808 469121815 /nfs/dbraw/zinc/12/18/15/469121815.db2.gz VKMYKUXGWXTCCD-NSHDSACASA-N -1 1 336.316 2.070 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]c2ccc3nccn3c2)ccc1[N+](=O)[O-] ZINC000610032628 469976522 /nfs/dbraw/zinc/97/65/22/469976522.db2.gz PHLNTPCMIQGPRJ-UHFFFAOYSA-N -1 1 332.341 2.352 10 5 EEBEMM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC001132962572 1200229505 /nfs/dbraw/zinc/22/95/05/1200229505.db2.gz ATOMULIXNIRBID-UHFFFAOYSA-N -1 1 336.235 2.298 10 5 EEBEMM CS(=O)(=O)c1csc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000155720504 1208333582 /nfs/dbraw/zinc/33/35/82/1208333582.db2.gz RQWHPLZLJAWWKX-UHFFFAOYSA-N -1 1 344.345 2.451 10 5 EEBEMM O=C(c1ccc(F)c([O-])c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001556209318 1342424916 /nfs/dbraw/zinc/42/49/16/1342424916.db2.gz NWNANLAHADRXHV-UHFFFAOYSA-N -1 1 332.287 2.343 10 5 EEBEMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2ccccn2)n1 ZINC001630811310 1352573088 /nfs/dbraw/zinc/57/30/88/1352573088.db2.gz LJFALXCTAMNXBH-UHFFFAOYSA-N -1 1 342.290 2.475 10 5 EEBEMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1nc(C2CCC2)n[nH]1 ZINC000274150424 256358389 /nfs/dbraw/zinc/35/83/89/256358389.db2.gz CFNMEBDVABDPNY-UHFFFAOYSA-N -1 1 337.361 2.090 10 5 EEBEMM CN(Cc1ccccc1)C1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000288448167 275059405 /nfs/dbraw/zinc/05/94/05/275059405.db2.gz PHQOMPFBLLEFKP-UHFFFAOYSA-N -1 1 341.367 2.257 10 5 EEBEMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@H]1C ZINC000445018880 315337492 /nfs/dbraw/zinc/33/74/92/315337492.db2.gz KMCMBNBANGKJJR-FTGAXOIBSA-N -1 1 343.339 2.378 10 5 EEBEMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000445018881 315337556 /nfs/dbraw/zinc/33/75/56/315337556.db2.gz KMCMBNBANGKJJR-HFBDOXOYSA-N -1 1 343.339 2.378 10 5 EEBEMM CO[C@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000564953672 319132269 /nfs/dbraw/zinc/13/22/69/319132269.db2.gz FMRSCIYPXGOSIO-CQSZACIVSA-N -1 1 328.390 2.378 10 5 EEBEMM C[C@@H]1CN(CCCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000580556216 324087612 /nfs/dbraw/zinc/08/76/12/324087612.db2.gz IDEIVDHSZZCCOP-TXEJJXNPSA-N -1 1 337.376 2.204 10 5 EEBEMM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365670037 466903643 /nfs/dbraw/zinc/90/36/43/466903643.db2.gz DKXAZFNPNKLNSI-UKRRQHHQSA-N -1 1 343.339 2.346 10 5 EEBEMM CCc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000533687606 468220506 /nfs/dbraw/zinc/22/05/06/468220506.db2.gz GQDZGCBQSXVJIL-UHFFFAOYSA-N -1 1 333.300 2.477 10 5 EEBEMM C[C@@H]1CC(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000594818551 468696945 /nfs/dbraw/zinc/69/69/45/468696945.db2.gz LOBZEAJNXATTFR-QWRGUYRKSA-N -1 1 327.406 2.340 10 5 EEBEMM CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595391254 468836632 /nfs/dbraw/zinc/83/66/32/468836632.db2.gz AEEUMNKWVDIGIH-SECBINFHSA-N -1 1 348.808 2.342 10 5 EEBEMM CS[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000867672943 1201655568 /nfs/dbraw/zinc/65/55/68/1201655568.db2.gz BFKLHPROWLAXTL-KYZUINATSA-N -1 1 334.394 2.215 10 5 EEBEMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1Cc2ccccc21 ZINC000795560188 1213950555 /nfs/dbraw/zinc/95/05/55/1213950555.db2.gz WDBBKNIRCNACQX-OAHLLOKOSA-N -1 1 327.292 2.366 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C2CC2)C1 ZINC000859368260 1294412729 /nfs/dbraw/zinc/41/27/29/1294412729.db2.gz XEQMYTMMQSGBGC-CMPLNLGQSA-N -1 1 346.792 2.094 10 5 EEBEMM C[C@@]1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCOc2ccccc21 ZINC001645264777 1352774379 /nfs/dbraw/zinc/77/43/79/1352774379.db2.gz BHXYAMPZBJRBPM-MRXNPFEDSA-N -1 1 329.312 2.123 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000918192073 768971413 /nfs/dbraw/zinc/97/14/13/768971413.db2.gz ZXVIGLRGCGEFEG-UHFFFAOYSA-N -1 1 334.712 2.459 10 5 EEBEMM O=C(N[C@H]1CCCc2ccccc2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001184393297 802006467 /nfs/dbraw/zinc/00/64/67/802006467.db2.gz JQKIXCYGOTWUBR-ZDUSSCGKSA-N -1 1 327.340 2.373 10 5 EEBEMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000439144230 242067002 /nfs/dbraw/zinc/06/70/02/242067002.db2.gz WXAHRABWPNJKKM-FTGAXOIBSA-N -1 1 343.339 2.378 10 5 EEBEMM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000375723358 167179191 /nfs/dbraw/zinc/17/91/91/167179191.db2.gz DUEYZBQHAHVOIH-BONVTDFDSA-N -1 1 343.339 2.160 10 5 EEBEMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000445018882 315337550 /nfs/dbraw/zinc/33/75/50/315337550.db2.gz KMCMBNBANGKJJR-YHAQOWFVSA-N -1 1 343.339 2.378 10 5 EEBEMM COC[C@@]1(C(=O)[O-])CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000393008780 323550907 /nfs/dbraw/zinc/55/09/07/323550907.db2.gz KSRCDAHBNCJMDL-QGZVFWFLSA-N -1 1 345.355 2.379 10 5 EEBEMM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000159885891 463309584 /nfs/dbraw/zinc/30/95/84/463309584.db2.gz JPKZEFRBZWTMST-ZETCQYMHSA-N -1 1 345.402 2.171 10 5 EEBEMM CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000295175959 464733911 /nfs/dbraw/zinc/73/39/11/464733911.db2.gz BEWIWSLOQOVFQY-LLVKDONJSA-N -1 1 334.781 2.094 10 5 EEBEMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)C(C)(F)F ZINC000594577759 468625860 /nfs/dbraw/zinc/62/58/60/468625860.db2.gz FBVOODWOYPZOIZ-UHFFFAOYSA-N -1 1 338.332 2.316 10 5 EEBEMM O=C(N[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600839653 468668668 /nfs/dbraw/zinc/66/86/68/468668668.db2.gz WXRPQASBTRADSC-DDTOSNHZSA-N -1 1 345.742 2.417 10 5 EEBEMM COc1cc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])cc1OC ZINC000571881478 468853394 /nfs/dbraw/zinc/85/33/94/468853394.db2.gz QJIKRAOPKWEJED-JQWIXIFHSA-N -1 1 338.360 2.155 10 5 EEBEMM Cn1cc([C@@H](O)C[C@@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000770391640 577595306 /nfs/dbraw/zinc/59/53/06/577595306.db2.gz OGVOBNHDKHLCLG-YOEHRIQHSA-N -1 1 346.387 2.122 10 5 EEBEMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC1 ZINC000815042946 1197849293 /nfs/dbraw/zinc/84/92/93/1197849293.db2.gz QRBZXRZXFZMXLR-OIBJUYFYSA-N -1 1 334.756 2.464 10 5 EEBEMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1Cc2ccccc21 ZINC000795560186 1213950027 /nfs/dbraw/zinc/95/00/27/1213950027.db2.gz WDBBKNIRCNACQX-HNNXBMFYSA-N -1 1 327.292 2.366 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H]2CC[C@@]21c1cccnc1 ZINC001558573046 1342483492 /nfs/dbraw/zinc/48/34/92/1342483492.db2.gz KLBAOCQNLXOJKM-SJCJKPOMSA-N -1 1 340.339 2.242 10 5 EEBEMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cc2cnccc2o1 ZINC001559027107 1342496197 /nfs/dbraw/zinc/49/61/97/1342496197.db2.gz LQWFNXNLIOWVPC-QMMMGPOBSA-N -1 1 328.284 2.328 10 5 EEBEMM Cc1c(Br)ccc([O-])c1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001628488554 1352535366 /nfs/dbraw/zinc/53/53/66/1352535366.db2.gz KTFPIAZWUMCWGS-UHFFFAOYSA-N -1 1 341.121 2.347 10 5 EEBEMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]2C[C@H]2C1 ZINC000819927235 785719004 /nfs/dbraw/zinc/71/90/04/785719004.db2.gz ZMFPQCONWTVQTE-RNLVFQAGSA-N -1 1 334.756 2.464 10 5 EEBEMM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000067950813 215258030 /nfs/dbraw/zinc/25/80/30/215258030.db2.gz HERWRKSEMNSTSY-SECBINFHSA-N -1 1 327.387 2.399 10 5 EEBEMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](c2ccccc2)O1 ZINC000187019021 236095839 /nfs/dbraw/zinc/09/58/39/236095839.db2.gz VUFTUZPYXCOTDL-NHYWBVRUSA-N -1 1 343.339 2.298 10 5 EEBEMM CN(Cc1nc2c(s1)CCCC2)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193667823 240257550 /nfs/dbraw/zinc/25/75/50/240257550.db2.gz PMQVTMSRZAMPBQ-UHFFFAOYSA-N -1 1 348.384 2.303 10 5 EEBEMM Cc1cccc2[nH]cc(CCNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c21 ZINC000103205062 159274498 /nfs/dbraw/zinc/27/44/98/159274498.db2.gz KQANDHQJCRWYJB-UHFFFAOYSA-N -1 1 340.339 2.458 10 5 EEBEMM C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000343945603 161182988 /nfs/dbraw/zinc/18/29/88/161182988.db2.gz WHBXYYVJXYRMAO-NXEZZACHSA-N -1 1 334.419 2.140 10 5 EEBEMM CCOc1ccccc1CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194264053 463822827 /nfs/dbraw/zinc/82/28/27/463822827.db2.gz XYVKKQIJMXLXLK-UHFFFAOYSA-N -1 1 331.328 2.366 10 5 EEBEMM CCO[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000173522266 464276136 /nfs/dbraw/zinc/27/61/36/464276136.db2.gz BKBGRHBCDJLXRX-SNVBAGLBSA-N -1 1 336.435 2.386 10 5 EEBEMM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000585741142 469023233 /nfs/dbraw/zinc/02/32/33/469023233.db2.gz HXXSCBMZNCPTPW-HTRCEHHLSA-N -1 1 335.179 2.044 10 5 EEBEMM O=C(NC[C@H]1C[C@H]1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001648800031 1176567369 /nfs/dbraw/zinc/56/73/69/1176567369.db2.gz ZVKVKLXDCNTPRT-CHWSQXEVSA-N -1 1 327.340 2.304 10 5 EEBEMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000867608624 1201642646 /nfs/dbraw/zinc/64/26/46/1201642646.db2.gz BBWDEKROGHGDDO-WEDXCCLWSA-N -1 1 334.781 2.092 10 5 EEBEMM Cc1csc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)n1 ZINC001654800623 1354158860 /nfs/dbraw/zinc/15/88/60/1354158860.db2.gz OBKHPRQLENOVMJ-SECBINFHSA-N -1 1 334.357 2.090 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2([C@H]3CCCCO3)CC2)s1 ZINC000922099330 798916104 /nfs/dbraw/zinc/91/61/04/798916104.db2.gz AVNUZJBHNLXJGA-SECBINFHSA-N -1 1 332.403 2.036 10 5 EEBEMM C[S@@](=O)(=NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1F ZINC001457099648 1109458950 /nfs/dbraw/zinc/45/89/50/1109458950.db2.gz XAISXWVDFGWJDX-QHCPKHFHSA-N -1 1 339.304 2.132 10 5 EEBEMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nc(-c2ccsc2)ns1 ZINC000119836049 142379654 /nfs/dbraw/zinc/37/96/54/142379654.db2.gz TYTJLCMQEHKYLZ-UHFFFAOYSA-N -1 1 336.358 2.161 10 5 EEBEMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)s1 ZINC000030015734 463284365 /nfs/dbraw/zinc/28/43/65/463284365.db2.gz HMMCXVPZBSIDQL-LURJTMIESA-N -1 1 327.749 2.489 10 5 EEBEMM C[C@]1(c2ccccc2)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000365213966 466746469 /nfs/dbraw/zinc/74/64/69/466746469.db2.gz AGDWXYDWQLHRJV-KRWDZBQOSA-N -1 1 327.340 2.499 10 5 EEBEMM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000420735409 467467851 /nfs/dbraw/zinc/46/78/51/467467851.db2.gz WUVKNRULEGGQRR-ZJUUUORDSA-N -1 1 348.808 2.484 10 5 EEBEMM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1Cl ZINC000599204364 469163310 /nfs/dbraw/zinc/16/33/10/469163310.db2.gz MUPJROAASQSXDV-QMMMGPOBSA-N -1 1 344.780 2.021 10 5 EEBEMM CN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)c1nn[n-]n1 ZINC001279180308 1323846541 /nfs/dbraw/zinc/84/65/41/1323846541.db2.gz OPDBVABDQPGFMV-UHFFFAOYSA-N -1 1 340.299 2.177 10 5 EEBEMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)cc1Cl ZINC000809844546 783406628 /nfs/dbraw/zinc/40/66/28/783406628.db2.gz ZEKWSFZFWOOSBU-OIBJUYFYSA-N -1 1 334.756 2.464 10 5 EEBEMM COC(=O)c1cc(C(=O)[N-]c2nccc3c2cccc3[N+](=O)[O-])on1 ZINC001183835829 801765075 /nfs/dbraw/zinc/76/50/75/801765075.db2.gz MJIQGFZJESBXNG-UHFFFAOYSA-N -1 1 342.267 2.170 10 5 EEBEMM CCC(CC)(NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC001449021797 1094026610 /nfs/dbraw/zinc/02/66/10/1094026610.db2.gz IXKMQNCLJCNOEL-OLZOCXBDSA-N -1 1 344.375 2.043 10 5 EEBEMM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cc(-c2cccc(F)c2)no1 ZINC001537903493 1124016673 /nfs/dbraw/zinc/01/66/73/1124016673.db2.gz UVGYPUXAAQFPMB-UHFFFAOYSA-N -1 1 331.263 2.375 10 5 EEBEMM Cc1csc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000038110655 202111374 /nfs/dbraw/zinc/11/13/74/202111374.db2.gz BENAWIAXYDTQMF-UHFFFAOYSA-N -1 1 347.805 2.492 10 5 EEBEMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCOCC1 ZINC000072718935 463539272 /nfs/dbraw/zinc/53/92/72/463539272.db2.gz VDZIDBNFZNABDA-JTQLQIEISA-N -1 1 334.419 2.140 10 5 EEBEMM COc1cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295207403 464745287 /nfs/dbraw/zinc/74/52/87/464745287.db2.gz OPWATPLIJRKSLK-UHFFFAOYSA-N -1 1 342.295 2.223 10 5 EEBEMM Cn1[n-]c(CSc2ccc(Br)cc2[N+](=O)[O-])nc1=O ZINC000354307724 466461073 /nfs/dbraw/zinc/46/10/73/466461073.db2.gz IHBKERYZLXJJDW-UHFFFAOYSA-N -1 1 345.178 2.071 10 5 EEBEMM CC(C)(C)CCN1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000350661501 466568221 /nfs/dbraw/zinc/56/82/21/466568221.db2.gz QQJBEUUCHYFKFF-UHFFFAOYSA-N -1 1 335.404 2.494 10 5 EEBEMM O=C(NCc1cccc(OC2CC2)c1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598140767 468776814 /nfs/dbraw/zinc/77/68/14/468776814.db2.gz VOFPAVSBDPNOQX-UHFFFAOYSA-N -1 1 347.302 2.306 10 5 EEBEMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595359635 468825030 /nfs/dbraw/zinc/82/50/30/468825030.db2.gz RGADWMRIJLHLMP-WHXUTIOJSA-N -1 1 331.369 2.185 10 5 EEBEMM O=C(NCc1cccc(OC2CC2)c1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598771238 468998220 /nfs/dbraw/zinc/99/82/20/468998220.db2.gz UNOCDRHZUPHYKW-UHFFFAOYSA-N -1 1 347.302 2.306 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC1(CO)CCC1 ZINC000593663905 469083064 /nfs/dbraw/zinc/08/30/64/469083064.db2.gz DQUYUXJIPDNPJK-UHFFFAOYSA-N -1 1 348.808 2.079 10 5 EEBEMM O=C(Nc1cnn(-c2ccncc2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000610878412 469101231 /nfs/dbraw/zinc/10/12/31/469101231.db2.gz HYFOQZHPCYLAFR-UHFFFAOYSA-N -1 1 325.284 2.133 10 5 EEBEMM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000599398252 469243432 /nfs/dbraw/zinc/24/34/32/469243432.db2.gz XKYRXLGBJXNALS-ISVAXAHUSA-N -1 1 346.792 2.094 10 5 EEBEMM COc1ccccc1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769046746 577567995 /nfs/dbraw/zinc/56/79/95/577567995.db2.gz HWQCANCJWLDIMN-UHFFFAOYSA-N -1 1 346.295 2.105 10 5 EEBEMM O=C(NCCc1ccc2ncccc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001161796679 1320627051 /nfs/dbraw/zinc/62/70/51/1320627051.db2.gz BIQWVCMXFBQBRP-UHFFFAOYSA-N -1 1 338.323 2.216 10 5 EEBEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC001176594546 798491193 /nfs/dbraw/zinc/49/11/93/798491193.db2.gz QFCOZHBCMJDMOS-UHFFFAOYSA-N -1 1 338.755 2.060 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cc(C)ccc2[N+](=O)[O-])[n-]1 ZINC001537897442 1124016726 /nfs/dbraw/zinc/01/67/26/1124016726.db2.gz NUWXXFPAXDTNFI-UHFFFAOYSA-N -1 1 345.311 2.473 10 5 EEBEMM Cc1ccc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cn1 ZINC000377196300 154083183 /nfs/dbraw/zinc/08/31/83/154083183.db2.gz NEOMRVFHOYJDLJ-UHFFFAOYSA-N -1 1 342.355 2.419 10 5 EEBEMM O=C(NCc1nc2ccc(F)cc2[nH]1)c1cccc([O-])c1[N+](=O)[O-] ZINC000343764234 161166091 /nfs/dbraw/zinc/16/60/91/161166091.db2.gz KQZAVGLDOCUFHY-UHFFFAOYSA-N -1 1 330.275 2.246 10 5 EEBEMM O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000357351549 465972804 /nfs/dbraw/zinc/97/28/04/465972804.db2.gz KCRPFJKWGCTHSR-AWEZNQCLSA-N -1 1 341.367 2.305 10 5 EEBEMM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cn[nH]c1-c1ccncc1 ZINC000361651937 466179983 /nfs/dbraw/zinc/17/99/83/466179983.db2.gz FDTBNPCHDQCARZ-UHFFFAOYSA-N -1 1 325.284 2.338 10 5 EEBEMM COCC1(CC[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC000867446808 1201615598 /nfs/dbraw/zinc/61/55/98/1201615598.db2.gz MCFFXZXSAGEXBP-UHFFFAOYSA-N -1 1 346.380 2.137 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]23CCC[C@H]2OCC3)cc1F ZINC000867882719 1201698782 /nfs/dbraw/zinc/69/87/82/1201698782.db2.gz JQNQKUOPYSOOPE-KGLIPLIRSA-N -1 1 344.364 2.032 10 5 EEBEMM C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1C1CCCC1 ZINC001347388526 1337507975 /nfs/dbraw/zinc/50/79/75/1337507975.db2.gz SEPQKNGTTKHYOG-GFCCVEGCSA-N -1 1 333.388 2.389 10 5 EEBEMM O=C(NCC(F)(F)c1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001470470705 1110506576 /nfs/dbraw/zinc/50/65/76/1110506576.db2.gz FPFKRNOXNNBJTE-UHFFFAOYSA-N -1 1 341.245 2.356 10 5 EEBEMM CCc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000451962272 243327583 /nfs/dbraw/zinc/32/75/83/243327583.db2.gz WGZPYYQYBYBTJM-UHFFFAOYSA-N -1 1 345.764 2.277 10 5 EEBEMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCC2 ZINC000173381480 152162539 /nfs/dbraw/zinc/16/25/39/152162539.db2.gz XHNYBLJDAKTLEC-UWVGGRQHSA-N -1 1 346.430 2.282 10 5 EEBEMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000355269651 163129105 /nfs/dbraw/zinc/12/91/05/163129105.db2.gz PYLWWEITWZGGMO-UHFFFAOYSA-N -1 1 338.317 2.426 10 5 EEBEMM CN1CCc2ccc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)cc21 ZINC000360043196 164221849 /nfs/dbraw/zinc/22/18/49/164221849.db2.gz VJYVSUINKCTIOR-UHFFFAOYSA-N -1 1 333.369 2.388 10 5 EEBEMM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])n1 ZINC000436764418 314996947 /nfs/dbraw/zinc/99/69/47/314996947.db2.gz LLAUBVUFSPUMLX-UHFFFAOYSA-N -1 1 330.222 2.305 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc2ccccc2n1 ZINC000525687734 317067357 /nfs/dbraw/zinc/06/73/57/317067357.db2.gz RXLWTNDKAWSCJP-UHFFFAOYSA-N -1 1 344.352 2.017 10 5 EEBEMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CO2 ZINC000152588615 462552339 /nfs/dbraw/zinc/55/23/39/462552339.db2.gz PFXYFECFGNSJNY-JTQLQIEISA-N -1 1 340.382 2.377 10 5 EEBEMM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000067950814 463071753 /nfs/dbraw/zinc/07/17/53/463071753.db2.gz HERWRKSEMNSTSY-VIFPVBQESA-N -1 1 327.387 2.399 10 5 EEBEMM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000420735407 467467951 /nfs/dbraw/zinc/46/79/51/467467951.db2.gz WUVKNRULEGGQRR-VHSXEESVSA-N -1 1 348.808 2.484 10 5 EEBEMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000770590587 577599496 /nfs/dbraw/zinc/59/94/96/577599496.db2.gz XOTFQNDKZSBKIN-VIFPVBQESA-N -1 1 342.311 2.370 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2([C@@H]3CCCCO3)CCC2)s1 ZINC000867878570 1201698209 /nfs/dbraw/zinc/69/82/09/1201698209.db2.gz FNKXMOYSBXLFGX-JTQLQIEISA-N -1 1 346.430 2.426 10 5 EEBEMM COc1nscc1[N-]C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001303231377 1331350547 /nfs/dbraw/zinc/35/05/47/1331350547.db2.gz OHBDCZIVYLOVRH-UHFFFAOYSA-N -1 1 327.293 2.460 10 5 EEBEMM Cc1ccc([S@@](C)(=O)=NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001179389788 799913429 /nfs/dbraw/zinc/91/34/29/799913429.db2.gz SXGVUNMHIDQKHM-HSZRJFAPSA-N -1 1 335.341 2.301 10 5 EEBEMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1coc(S(C)(=O)=O)c1 ZINC001523897421 1119915003 /nfs/dbraw/zinc/91/50/03/1119915003.db2.gz ZSNIVDPRXMFRMV-UHFFFAOYSA-N -1 1 342.304 2.291 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2c(F)cccc2F)s1 ZINC000066000961 215002996 /nfs/dbraw/zinc/00/29/96/215002996.db2.gz VPKDUFQDEZKKBU-UHFFFAOYSA-N -1 1 348.352 2.456 10 5 EEBEMM CN1CC[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000193445248 160181495 /nfs/dbraw/zinc/18/14/95/160181495.db2.gz VQXAAZMPSIMJKQ-NSHDSACASA-N -1 1 342.355 2.049 10 5 EEBEMM CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c([O-])c1 ZINC000537769594 318026765 /nfs/dbraw/zinc/02/67/65/318026765.db2.gz ZMPUSLDRCVJWHA-UHFFFAOYSA-N -1 1 331.284 2.124 10 5 EEBEMM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000531627554 448119522 /nfs/dbraw/zinc/11/95/22/448119522.db2.gz RMOFCOVBLPGJFC-UHFFFAOYSA-N -1 1 328.313 2.156 10 5 EEBEMM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1ccc([N+](=O)[O-])cn1 ZINC000532145769 448208797 /nfs/dbraw/zinc/20/87/97/448208797.db2.gz AVHVHZDNATZLNO-UHFFFAOYSA-N -1 1 328.263 2.166 10 5 EEBEMM O=C1NCCC[C@@H]1[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000296440633 465196327 /nfs/dbraw/zinc/19/63/27/465196327.db2.gz ZJPCAXMYOVCDGT-ZETCQYMHSA-N -1 1 348.237 2.212 10 5 EEBEMM COc1cccc(F)c1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000174371574 464400040 /nfs/dbraw/zinc/40/00/40/464400040.db2.gz LXZNKMOUPRZTLT-QMMMGPOBSA-N -1 1 335.291 2.334 10 5 EEBEMM CCc1noc(C)c1C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000339006323 466563006 /nfs/dbraw/zinc/56/30/06/466563006.db2.gz DFVBPRRYIAAXOJ-UHFFFAOYSA-N -1 1 339.373 2.241 10 5 EEBEMM CN(C[C@H]1CCc2ccccc21)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598470811 468876731 /nfs/dbraw/zinc/87/67/31/468876731.db2.gz SPOUYRMUWVYKFV-GFCCVEGCSA-N -1 1 327.340 2.497 10 5 EEBEMM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000593607615 469057805 /nfs/dbraw/zinc/05/78/05/469057805.db2.gz MDEPQPVSVBOMEH-QMMMGPOBSA-N -1 1 341.311 2.247 10 5 EEBEMM COc1c(F)cc(S(=O)(=O)[N-]C(C)(C)C(F)F)cc1[N+](=O)[O-] ZINC000619502983 469628013 /nfs/dbraw/zinc/62/80/13/469628013.db2.gz NBRDGRQUYJBKEG-UHFFFAOYSA-N -1 1 342.295 2.065 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)c2cccs2)s1 ZINC000751434167 577752321 /nfs/dbraw/zinc/75/23/21/577752321.db2.gz DBQZJWNAWHGEDH-MRVPVSSYSA-N -1 1 348.427 2.120 10 5 EEBEMM O=[N+]([O-])c1cnc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)nc1 ZINC000866125948 1201441488 /nfs/dbraw/zinc/44/14/88/1201441488.db2.gz SGJAZGYBXMRALW-UHFFFAOYSA-N -1 1 349.778 2.066 10 5 EEBEMM C[C@@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1[N+](=O)[O-] ZINC001154124631 1316964343 /nfs/dbraw/zinc/96/43/43/1316964343.db2.gz XBGCMUMNDSLURN-SECBINFHSA-N -1 1 343.368 2.417 10 5 EEBEMM O=C([N-]c1ncn(Cc2cccnc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC001318230685 1332492994 /nfs/dbraw/zinc/49/29/94/1332492994.db2.gz WDRYJRZGMQUHBJ-UHFFFAOYSA-N -1 1 342.290 2.021 10 5 EEBEMM COc1ccc(NC(=O)c2ccc3n[n-]c(=S)n3c2)cc1[N+](=O)[O-] ZINC001623743747 1352403841 /nfs/dbraw/zinc/40/38/41/1352403841.db2.gz VJPHJCWVVVNKOU-UHFFFAOYSA-N -1 1 345.340 2.187 10 5 EEBEMM CCOC(=O)C(C)(C)O[N-]C(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001627805589 1352510262 /nfs/dbraw/zinc/51/02/62/1352510262.db2.gz WPZIWRSJXFZWLZ-UHFFFAOYSA-N -1 1 344.751 2.180 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)[C@H]2CCCOC2)s1 ZINC000921857586 797666200 /nfs/dbraw/zinc/66/62/00/797666200.db2.gz XLPDRCAMAWEDGA-GWCFXTLKSA-N -1 1 346.430 2.140 10 5 EEBEMM CCc1ncc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000451963390 243327425 /nfs/dbraw/zinc/32/74/25/243327425.db2.gz ZDADDYSEPWPQDW-UHFFFAOYSA-N -1 1 339.373 2.241 10 5 EEBEMM CN(C)Cc1cc(CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1F ZINC000160414258 273985726 /nfs/dbraw/zinc/98/57/26/273985726.db2.gz VGOSZFNWRUXPKK-UHFFFAOYSA-N -1 1 347.346 2.431 10 5 EEBEMM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000416578549 313263613 /nfs/dbraw/zinc/26/36/13/313263613.db2.gz AUNLPZQAOBBDIT-UFBFGSQYSA-N -1 1 334.419 2.138 10 5 EEBEMM CN(C)[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000507175563 316374695 /nfs/dbraw/zinc/37/46/95/316374695.db2.gz WJDAACKSDUFOAS-INIZCTEOSA-N -1 1 347.346 2.472 10 5 EEBEMM O=C([O-])c1c(NS(=O)(=O)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000548557818 318396056 /nfs/dbraw/zinc/39/60/56/318396056.db2.gz XEKOGEFNUWAWCQ-UHFFFAOYSA-N -1 1 340.288 2.233 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCn2c(cc3ccccc32)C1 ZINC000361030646 465715430 /nfs/dbraw/zinc/71/54/30/465715430.db2.gz KKDVORCHDURQLJ-UHFFFAOYSA-N -1 1 338.323 2.306 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598570030 468918509 /nfs/dbraw/zinc/91/85/09/468918509.db2.gz GBFXCUDZOOTZMV-CQSZACIVSA-N -1 1 340.339 2.458 10 5 EEBEMM Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ncc2Br)s1 ZINC000305981233 1217498792 /nfs/dbraw/zinc/49/87/92/1217498792.db2.gz RISVBJDUDPFLBD-UHFFFAOYSA-N -1 1 344.150 2.165 10 5 EEBEMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC001435284214 1341984491 /nfs/dbraw/zinc/98/44/91/1341984491.db2.gz WUADXKPQMGKEOG-UHFFFAOYSA-N -1 1 333.254 2.476 10 5 EEBEMM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCO1 ZINC000921675092 793388897 /nfs/dbraw/zinc/38/88/97/793388897.db2.gz KMIDYGUAWITBRG-ZDUSSCGKSA-N -1 1 348.808 2.486 10 5 EEBEMM COC(=O)c1nsc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC001525675919 1120349375 /nfs/dbraw/zinc/34/93/75/1120349375.db2.gz JBAHXBMDOQMWED-UHFFFAOYSA-N -1 1 342.720 2.139 10 5 EEBEMM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cc(-c2ccc(F)cc2)no1 ZINC001532653419 1122864591 /nfs/dbraw/zinc/86/45/91/1122864591.db2.gz XLMCULRUFJIKFP-UHFFFAOYSA-N -1 1 331.263 2.375 10 5 EEBEMM Cc1ncsc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000071213471 202342068 /nfs/dbraw/zinc/34/20/68/202342068.db2.gz FPGMOKYTBAAMFC-UHFFFAOYSA-N -1 1 347.805 2.492 10 5 EEBEMM O=C(NCCc1c[nH]c2ccc(F)cc12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000116981072 152067263 /nfs/dbraw/zinc/06/72/63/152067263.db2.gz QVWHSLZGOZZBTJ-UHFFFAOYSA-N -1 1 344.302 2.288 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2Cc3ccccc3C2)s1 ZINC000343853729 161174715 /nfs/dbraw/zinc/17/47/15/161174715.db2.gz LINPKNOKJSRFSG-UHFFFAOYSA-N -1 1 338.410 2.350 10 5 EEBEMM Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)sc1C ZINC000173224853 464214683 /nfs/dbraw/zinc/21/46/83/464214683.db2.gz BEOVOBVSFLJUOL-UHFFFAOYSA-N -1 1 333.416 2.208 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)s1 ZINC000340092455 465761257 /nfs/dbraw/zinc/76/12/57/465761257.db2.gz WYGBXJHSGPWNOY-CYBMUJFWSA-N -1 1 339.398 2.481 10 5 EEBEMM CC1CCC(C)(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000530433424 467984279 /nfs/dbraw/zinc/98/42/79/467984279.db2.gz GPLBRIUROVYABM-UHFFFAOYSA-N -1 1 327.406 2.485 10 5 EEBEMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000532407695 468117215 /nfs/dbraw/zinc/11/72/15/468117215.db2.gz DWSWQPMIPRJQGO-UHFFFAOYSA-N -1 1 325.284 2.338 10 5 EEBEMM C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000594818549 468697041 /nfs/dbraw/zinc/69/70/41/468697041.db2.gz LOBZEAJNXATTFR-GDNZZTSVSA-N -1 1 327.406 2.340 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCOC(C)(C)C)cc1F ZINC000866672682 1201576470 /nfs/dbraw/zinc/57/64/70/1201576470.db2.gz QORNFHRIUJAHKL-UHFFFAOYSA-N -1 1 334.369 2.136 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)cc1F ZINC000867549343 1201632063 /nfs/dbraw/zinc/63/20/63/1201632063.db2.gz LEFZSFNPAVFRSH-MRVPVSSYSA-N -1 1 338.307 2.366 10 5 EEBEMM O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1cc([N+](=O)[O-])ccc1F ZINC001142037072 1315429493 /nfs/dbraw/zinc/42/94/93/1315429493.db2.gz RSNOOFXURLXZMT-UHFFFAOYSA-N -1 1 328.263 2.166 10 5 EEBEMM COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c([O-])c(OC)c1 ZINC001158238303 1319106575 /nfs/dbraw/zinc/10/65/75/1319106575.db2.gz FJTHDZAMJFISTE-UHFFFAOYSA-N -1 1 346.295 2.348 10 5 EEBEMM O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001160931053 1320320546 /nfs/dbraw/zinc/32/05/46/1320320546.db2.gz UMVAPAOQVAPUPG-UHFFFAOYSA-N -1 1 347.718 2.155 10 5 EEBEMM COc1ccc(C[C@H]2CCN2C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC001648625697 1353436935 /nfs/dbraw/zinc/43/69/35/1353436935.db2.gz RXGMBRVNJVYZQQ-GFCCVEGCSA-N -1 1 343.339 2.161 10 5 EEBEMM CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1(CC)CC ZINC001182864704 801378307 /nfs/dbraw/zinc/37/83/07/801378307.db2.gz ZWKJIWNFDBCDHC-QWHCGFSZSA-N -1 1 337.376 2.409 10 5 EEBEMM Cc1nccn1-c1ccncc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001444208826 1098767484 /nfs/dbraw/zinc/76/74/84/1098767484.db2.gz VHNGVYSWPFTXJT-UHFFFAOYSA-N -1 1 339.311 2.442 10 5 EEBEMM Cc1nc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)[nH]c1C ZINC001455865690 1108956194 /nfs/dbraw/zinc/95/61/94/1108956194.db2.gz KDYLPWDRQNNJAE-UHFFFAOYSA-N -1 1 345.359 2.055 10 5 EEBEMM NN=c1nc[n-]c(Oc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000040656847 202457955 /nfs/dbraw/zinc/45/79/55/202457955.db2.gz VLZXSAUFVQBBGG-UHFFFAOYSA-N -1 1 326.110 2.225 10 5 EEBEMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000189636517 160145500 /nfs/dbraw/zinc/14/55/00/160145500.db2.gz KEIPHBSQFPQWLE-UHFFFAOYSA-N -1 1 335.360 2.259 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1COc2ccccc21 ZINC000194622542 160197201 /nfs/dbraw/zinc/19/72/01/160197201.db2.gz GDNFGAZUKSYSKO-LLVKDONJSA-N -1 1 338.316 2.146 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCC2CCCC2)s1 ZINC000416501442 313239805 /nfs/dbraw/zinc/23/98/05/313239805.db2.gz HTVBQCLVNMIFDA-UHFFFAOYSA-N -1 1 334.419 2.141 10 5 EEBEMM Cc1nc([C@H]2CCCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000338248453 465944029 /nfs/dbraw/zinc/94/40/29/465944029.db2.gz PWYCSHTYNKJGNO-CYBMUJFWSA-N -1 1 331.332 2.094 10 5 EEBEMM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000339006624 466563026 /nfs/dbraw/zinc/56/30/26/466563026.db2.gz VIENKJZLSZBSIL-UHFFFAOYSA-N -1 1 345.402 2.302 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(C2CCC2)CCC1 ZINC000516959438 468060298 /nfs/dbraw/zinc/06/02/98/468060298.db2.gz PGPZGZPIWGRJPH-UHFFFAOYSA-N -1 1 325.390 2.239 10 5 EEBEMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)C(C)(F)F ZINC000594579647 468626266 /nfs/dbraw/zinc/62/62/66/468626266.db2.gz ZDSVRZJYUBIDOB-UHFFFAOYSA-N -1 1 338.332 2.316 10 5 EEBEMM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000583570372 468718237 /nfs/dbraw/zinc/71/82/37/468718237.db2.gz OLXBKUYWUXGGSW-FZMZJTMJSA-N -1 1 345.359 2.283 10 5 EEBEMM CC(C)[C@H](O)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000598351030 468839794 /nfs/dbraw/zinc/83/97/94/468839794.db2.gz LLLZDQMPEVQYFV-CABCVRRESA-N -1 1 345.355 2.183 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)nc1 ZINC000593602062 469054630 /nfs/dbraw/zinc/05/46/30/469054630.db2.gz BTSYQAZDVDCBPY-SECBINFHSA-N -1 1 335.332 2.094 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CO[C@H](C2CC2)C1 ZINC000599482489 469272585 /nfs/dbraw/zinc/27/25/85/469272585.db2.gz PLFQJRBZOCXVDG-CABZTGNLSA-N -1 1 346.792 2.094 10 5 EEBEMM O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599543555 469287530 /nfs/dbraw/zinc/28/75/30/469287530.db2.gz RAZHGRUJRRTWQV-AWEZNQCLSA-N -1 1 336.388 2.054 10 5 EEBEMM COc1ccccc1-c1nnc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])s1 ZINC001637252741 1352675755 /nfs/dbraw/zinc/67/57/55/1352675755.db2.gz FJYIVJJVAODEGC-UHFFFAOYSA-N -1 1 346.328 2.097 10 5 EEBEMM CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1(CC)CC ZINC001182864701 801378247 /nfs/dbraw/zinc/37/82/47/801378247.db2.gz ZWKJIWNFDBCDHC-CHWSQXEVSA-N -1 1 337.376 2.409 10 5 EEBEMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]C(=O)c1nc(-c2cnccn2)no1 ZINC001450683883 1095061030 /nfs/dbraw/zinc/06/10/30/1095061030.db2.gz DAFIOGUFLKJWHU-UHFFFAOYSA-N -1 1 340.299 2.304 10 5 EEBEMM O=C(c1ccc([O-])cc1F)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001441476081 1095143751 /nfs/dbraw/zinc/14/37/51/1095143751.db2.gz NWWDKXXHFCGPLD-UHFFFAOYSA-N -1 1 345.330 2.402 10 5 EEBEMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001468549153 1110476433 /nfs/dbraw/zinc/47/64/33/1110476433.db2.gz WRBRJWDCJRXAQX-UHFFFAOYSA-N -1 1 328.231 2.186 10 5 EEBEMM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1C ZINC001567976066 1124214049 /nfs/dbraw/zinc/21/40/49/1124214049.db2.gz WJJWQBHVLXOQNH-NSHDSACASA-N -1 1 346.343 2.320 10 5 EEBEMM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000452067923 243341939 /nfs/dbraw/zinc/34/19/39/243341939.db2.gz NGJHKADGAVUNEU-NXEZZACHSA-N -1 1 334.419 2.282 10 5 EEBEMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(F)(F)F ZINC000345721180 161325802 /nfs/dbraw/zinc/32/58/02/161325802.db2.gz ODJFMYAVBBYKBC-JTQLQIEISA-N -1 1 342.295 2.223 10 5 EEBEMM CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289693337 275139705 /nfs/dbraw/zinc/13/97/05/275139705.db2.gz VVJVXFBDNWLIOU-RQJHMYQMSA-N -1 1 340.760 2.089 10 5 EEBEMM Cc1ncc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)o1 ZINC000416545541 313252805 /nfs/dbraw/zinc/25/28/05/313252805.db2.gz JNRKGFFYNKJGAY-UHFFFAOYSA-N -1 1 345.764 2.332 10 5 EEBEMM COc1cccc(C[C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445004626 315337301 /nfs/dbraw/zinc/33/73/01/315337301.db2.gz OXASUTWKZGFBQG-JTQLQIEISA-N -1 1 331.328 2.065 10 5 EEBEMM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000159885749 463309217 /nfs/dbraw/zinc/30/92/17/463309217.db2.gz JPKZEFRBZWTMST-SSDOTTSWSA-N -1 1 345.402 2.171 10 5 EEBEMM CCOC(=O)c1cc(C(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)on1 ZINC000346160324 465948163 /nfs/dbraw/zinc/94/81/63/465948163.db2.gz WDMLRHHPKVINJY-UHFFFAOYSA-N -1 1 335.272 2.020 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2ccc(F)c(F)c2C1 ZINC000488974570 468114049 /nfs/dbraw/zinc/11/40/49/468114049.db2.gz HLXADGAAEAFTAL-UHFFFAOYSA-N -1 1 335.266 2.172 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](c2ccc(O)cc2)C1 ZINC000600836694 468667605 /nfs/dbraw/zinc/66/76/05/468667605.db2.gz CEUMAILHZQINAZ-NSHDSACASA-N -1 1 329.312 2.031 10 5 EEBEMM C[C@@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1(F)F ZINC000594856598 468708106 /nfs/dbraw/zinc/70/81/06/468708106.db2.gz ISKYSICONAIAGR-LLVKDONJSA-N -1 1 338.307 2.448 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c([N+](=O)[O-])s1 ZINC000601471728 468888719 /nfs/dbraw/zinc/88/87/19/468888719.db2.gz HVRZMUNKJKTONG-SSDOTTSWSA-N -1 1 326.346 2.288 10 5 EEBEMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)O1 ZINC000601500355 468895549 /nfs/dbraw/zinc/89/55/49/468895549.db2.gz XKOKDEORXODDJL-KHQFGBGNSA-N -1 1 334.781 2.092 10 5 EEBEMM Cc1cccc(CC2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)c1 ZINC000618382377 469980041 /nfs/dbraw/zinc/98/00/41/469980041.db2.gz XAXWOUQRERIIIH-UHFFFAOYSA-N -1 1 327.340 2.319 10 5 EEBEMM O=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000800696140 1234444797 /nfs/dbraw/zinc/44/47/97/1234444797.db2.gz YOANYBFLOULYPR-NSHDSACASA-N -1 1 333.731 2.246 10 5 EEBEMM CCOC(=O)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(OCC)c2)n[n-]1 ZINC001472828262 1338597834 /nfs/dbraw/zinc/59/78/34/1338597834.db2.gz PVLVWNPFUWLXFP-VIFPVBQESA-N -1 1 349.347 2.461 10 5 EEBEMM CCOC(=O)c1nnc([C@H](C)Nc2ccc([N+](=O)[O-])c(OCC)c2)[n-]1 ZINC001472828262 1338597842 /nfs/dbraw/zinc/59/78/42/1338597842.db2.gz PVLVWNPFUWLXFP-VIFPVBQESA-N -1 1 349.347 2.461 10 5 EEBEMM CCOC(=O)c1n[n-]c([C@H](C)Nc2ccc([N+](=O)[O-])c(OCC)c2)n1 ZINC001472828262 1338597846 /nfs/dbraw/zinc/59/78/46/1338597846.db2.gz PVLVWNPFUWLXFP-VIFPVBQESA-N -1 1 349.347 2.461 10 5 EEBEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001596668164 1349909908 /nfs/dbraw/zinc/90/99/08/1349909908.db2.gz FAIHURZRPFBLMT-ZETCQYMHSA-N -1 1 334.357 2.179 10 5 EEBEMM COc1ccc(C[C@@H]2CCN2C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC001648625698 1353436510 /nfs/dbraw/zinc/43/65/10/1353436510.db2.gz RXGMBRVNJVYZQQ-LBPRGKRZSA-N -1 1 343.339 2.161 10 5 EEBEMM COc1cnc([C@H]2CCCN2c2cc(C)c([N+](=O)[O-])cn2)[n-]c1=O ZINC001651494870 1354055150 /nfs/dbraw/zinc/05/51/50/1354055150.db2.gz DBOIYJGJIJRLTI-SNVBAGLBSA-N -1 1 331.332 2.144 10 5 EEBEMM COc1cnc([C@@H]2CCCN2Cc2csc([N+](=O)[O-])c2)[n-]c1=O ZINC001660522664 1354480408 /nfs/dbraw/zinc/48/04/08/1354480408.db2.gz SOJWREBZSNCOFK-JTQLQIEISA-N -1 1 336.373 2.498 10 5 EEBEMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)n1 ZINC001127444422 769376593 /nfs/dbraw/zinc/37/65/93/769376593.db2.gz LRLXEZMCMUVGKH-UHFFFAOYSA-N -1 1 332.707 2.247 10 5 EEBEMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000101570954 219140608 /nfs/dbraw/zinc/14/06/08/219140608.db2.gz LFPWZVIPVYGJDO-KWQFWETISA-N -1 1 334.781 2.094 10 5 EEBEMM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452646042 315577063 /nfs/dbraw/zinc/57/70/63/315577063.db2.gz OLEZAGLVCXUCTO-VXNVDRBHSA-N -1 1 333.266 2.498 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(C)C)c([N+](=O)[O-])n1 ZINC000339040304 465043586 /nfs/dbraw/zinc/04/35/86/465043586.db2.gz GOWQSXXGQFJOQA-RYUDHWBXSA-N -1 1 344.437 2.304 10 5 EEBEMM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000158735483 463250513 /nfs/dbraw/zinc/25/05/13/463250513.db2.gz DOYDSPGBPLERHQ-SSDOTTSWSA-N -1 1 345.402 2.343 10 5 EEBEMM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])O1 ZINC000594853533 468707083 /nfs/dbraw/zinc/70/70/83/468707083.db2.gz ZMFBHMCRNONWST-NXEZZACHSA-N -1 1 348.808 2.484 10 5 EEBEMM Cc1c(NC(=O)[C@H](C)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000563127461 469177401 /nfs/dbraw/zinc/17/74/01/469177401.db2.gz XQMCUNOUCQPBOI-WCFLWFBJSA-N -1 1 349.387 2.273 10 5 EEBEMM O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000599543556 469287620 /nfs/dbraw/zinc/28/76/20/469287620.db2.gz RAZHGRUJRRTWQV-CQSZACIVSA-N -1 1 336.388 2.054 10 5 EEBEMM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000445749925 535306621 /nfs/dbraw/zinc/30/66/21/535306621.db2.gz JDDNIZIWOCPLJB-ZDUSSCGKSA-N -1 1 348.446 2.266 10 5 EEBEMM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1oc(C2CC2)nc1C(F)F ZINC001128881508 1195950529 /nfs/dbraw/zinc/95/05/29/1195950529.db2.gz OGBYKOXIIYFURR-UHFFFAOYSA-N -1 1 327.247 2.384 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000927276948 1206250288 /nfs/dbraw/zinc/25/02/88/1206250288.db2.gz KKBRLEGLZLZEES-NSHDSACASA-N -1 1 349.240 2.202 10 5 EEBEMM C[C@@H](COc1ccc(F)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001142052383 1315438098 /nfs/dbraw/zinc/43/80/98/1315438098.db2.gz RNNXQCMGWNSMKO-VIFPVBQESA-N -1 1 335.291 2.032 10 5 EEBEMM O=C(c1ccc(F)c([O-])c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001634313534 1352625337 /nfs/dbraw/zinc/62/53/37/1352625337.db2.gz MQZBRCMABJIXRQ-NSHDSACASA-N -1 1 346.318 2.161 10 5 EEBEMM O=C([N-]c1ccnnc1)c1sc(Br)cc1[N+](=O)[O-] ZINC001129598108 810916216 /nfs/dbraw/zinc/91/62/16/810916216.db2.gz ZLQYKKVJMRBZPJ-UHFFFAOYSA-N -1 1 329.135 2.461 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[n-]1 ZINC001534719293 1123393365 /nfs/dbraw/zinc/39/33/65/1123393365.db2.gz PGGDOHGHJAXSRS-UHFFFAOYSA-N -1 1 349.274 2.304 10 5 EEBEMM CN1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000456611288 244302575 /nfs/dbraw/zinc/30/25/75/244302575.db2.gz QQFSVTGULDDDBS-ZDUSSCGKSA-N -1 1 342.355 2.397 10 5 EEBEMM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000074975267 292179129 /nfs/dbraw/zinc/17/91/29/292179129.db2.gz OIWCMRQYRDQSMN-PRHODGIISA-N -1 1 334.419 2.138 10 5 EEBEMM Cc1ccsc1[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000125311953 292295736 /nfs/dbraw/zinc/29/57/36/292295736.db2.gz IRJYBMPQMPZHFH-MRVPVSSYSA-N -1 1 348.427 2.038 10 5 EEBEMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000376396025 167317251 /nfs/dbraw/zinc/31/72/51/167317251.db2.gz AANKFCNBAMNWPQ-UHFFFAOYSA-N -1 1 336.358 2.459 10 5 EEBEMM O=C(N[C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600476642 468569246 /nfs/dbraw/zinc/56/92/46/468569246.db2.gz FGPDBOMHJZLMGY-ZLKJLUDKSA-N -1 1 345.742 2.417 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2cccnc2)CC1 ZINC000611258351 469212128 /nfs/dbraw/zinc/21/21/28/469212128.db2.gz IQVFTPCDTFDFLB-UHFFFAOYSA-N -1 1 328.328 2.110 10 5 EEBEMM CC1(C)[C@@H](c2ccccc2)[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000599375596 469234894 /nfs/dbraw/zinc/23/48/94/469234894.db2.gz OALGUNZMGPSYQR-KBPBESRZSA-N -1 1 347.396 2.460 10 5 EEBEMM CC(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262655 469996646 /nfs/dbraw/zinc/99/66/46/469996646.db2.gz GAYYKOFOFOZLBU-VXGBXAGGSA-N -1 1 327.406 2.483 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCOC2(C)C)cc1F ZINC000867533361 1201629472 /nfs/dbraw/zinc/62/94/72/1201629472.db2.gz MHGGMTVLVNJQTC-JTQLQIEISA-N -1 1 346.380 2.136 10 5 EEBEMM CC(C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000867684504 1201658934 /nfs/dbraw/zinc/65/89/34/1201658934.db2.gz POJUFJRRAOESLY-LBPRGKRZSA-N -1 1 346.380 2.360 10 5 EEBEMM Cc1cc([C@@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[nH]n1 ZINC001558568704 1342482823 /nfs/dbraw/zinc/48/28/23/1342482823.db2.gz CVLNMHTYSYUNDW-LBPRGKRZSA-N -1 1 331.332 2.094 10 5 EEBEMM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000817145747 784537760 /nfs/dbraw/zinc/53/77/60/784537760.db2.gz MDXZWVKDQAAQPI-MNOVXSKESA-N -1 1 348.808 2.484 10 5 EEBEMM CSc1ncc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(=O)[n-]1 ZINC001566267356 1125593624 /nfs/dbraw/zinc/59/36/24/1125593624.db2.gz YZQYQVVGQKMDSI-UHFFFAOYSA-N -1 1 346.368 2.011 10 5 EEBEMM CCOC(=O)c1noc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC001538345722 1124025852 /nfs/dbraw/zinc/02/58/52/1124025852.db2.gz JRUINBOMSCQVPN-UHFFFAOYSA-N -1 1 325.302 2.382 10 5 EEBEMM CSc1ncc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC001543221349 1124125001 /nfs/dbraw/zinc/12/50/01/1124125001.db2.gz YLDSEHJIFFWOCR-MRVPVSSYSA-N -1 1 334.357 2.303 10 5 EEBEMM Cc1nc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)sc1C ZINC000532497438 317867563 /nfs/dbraw/zinc/86/75/63/317867563.db2.gz TZHYRKKFIFWAQN-UHFFFAOYSA-N -1 1 327.387 2.147 10 5 EEBEMM COc1cc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000566860800 319327964 /nfs/dbraw/zinc/32/79/64/319327964.db2.gz VTVQZTBKUICMCM-CYBMUJFWSA-N -1 1 348.277 2.442 10 5 EEBEMM CCC[C@H](NC(=O)C(C)=Cc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000183068852 464789012 /nfs/dbraw/zinc/78/90/12/464789012.db2.gz JENZPLFEVRAYHY-LXKVQUBZSA-N -1 1 330.348 2.169 10 5 EEBEMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCc2ccccc21 ZINC000593899416 468426248 /nfs/dbraw/zinc/42/62/48/468426248.db2.gz AHAUDYRDECRUCB-NSHDSACASA-N -1 1 327.340 2.497 10 5 EEBEMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[nH]n1 ZINC000353859376 466206539 /nfs/dbraw/zinc/20/65/39/466206539.db2.gz RXMYHPYESYRFCH-UHFFFAOYSA-N -1 1 330.391 2.379 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](C2CCCCC2)C1 ZINC000365466224 466826925 /nfs/dbraw/zinc/82/69/25/466826925.db2.gz TZXBDEVUUMNAFD-AWEZNQCLSA-N -1 1 335.360 2.117 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CCSCC3)s1 ZINC000420711319 467459498 /nfs/dbraw/zinc/45/94/98/467459498.db2.gz XYRWLTXQSJFWQS-VIFPVBQESA-N -1 1 348.471 2.468 10 5 EEBEMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1(CO)CCC1 ZINC000490098703 468196051 /nfs/dbraw/zinc/19/60/51/468196051.db2.gz UHWGSAQNNMNZBR-GFCCVEGCSA-N -1 1 348.446 2.122 10 5 EEBEMM CCO[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000600637401 468607307 /nfs/dbraw/zinc/60/73/07/468607307.db2.gz UBXTZRPLSYNWAA-AWEZNQCLSA-N -1 1 328.390 2.460 10 5 EEBEMM Cc1cc(N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000600679240 468618761 /nfs/dbraw/zinc/61/87/61/468618761.db2.gz UFCJTYQACJVRME-BMIGLBTASA-N -1 1 331.328 2.130 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)nc1 ZINC000593598687 469052407 /nfs/dbraw/zinc/05/24/07/469052407.db2.gz QAPMIJIHMCSRTN-SNVBAGLBSA-N -1 1 349.359 2.484 10 5 EEBEMM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000593607614 469057478 /nfs/dbraw/zinc/05/74/78/469057478.db2.gz MDEPQPVSVBOMEH-MRVPVSSYSA-N -1 1 341.311 2.247 10 5 EEBEMM C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599203424 469161871 /nfs/dbraw/zinc/16/18/71/469161871.db2.gz GPPSEJBUMRRCPU-MRVPVSSYSA-N -1 1 344.780 2.021 10 5 EEBEMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001134127747 1199323664 /nfs/dbraw/zinc/32/36/64/1199323664.db2.gz AWNNNKKVIFYKSL-RKDXNWHRSA-N -1 1 341.249 2.474 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CCSC2)cc1F ZINC000867574108 1201635965 /nfs/dbraw/zinc/63/59/65/1201635965.db2.gz UOHPADUINXNRHR-JTQLQIEISA-N -1 1 348.421 2.464 10 5 EEBEMM COc1cnc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(C)n2)[n-]c1=O ZINC001187824275 1279659174 /nfs/dbraw/zinc/65/91/74/1279659174.db2.gz PUCSIKYYLKEPSM-NSHDSACASA-N -1 1 331.332 2.144 10 5 EEBEMM O=C(NCc1cccc(C(F)(F)F)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001635915883 1352654944 /nfs/dbraw/zinc/65/49/44/1352654944.db2.gz LKDRBZYDRVXYAL-UHFFFAOYSA-N -1 1 342.233 2.039 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2)CC1 ZINC001653785269 1354132768 /nfs/dbraw/zinc/13/27/68/1354132768.db2.gz NFDPJJILOFLFQI-OAHLLOKOSA-N -1 1 343.339 2.299 10 5 EEBEMM O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC001454282844 1107001610 /nfs/dbraw/zinc/00/16/10/1107001610.db2.gz ZAPSYKMSLVWXCZ-UHFFFAOYSA-N -1 1 340.295 2.444 10 5 EEBEMM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000445749924 242131766 /nfs/dbraw/zinc/13/17/66/242131766.db2.gz JDDNIZIWOCPLJB-CYBMUJFWSA-N -1 1 348.446 2.266 10 5 EEBEMM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000119091671 221242013 /nfs/dbraw/zinc/24/20/13/221242013.db2.gz AVDWZBCJJNHGAM-VIFPVBQESA-N -1 1 347.375 2.446 10 5 EEBEMM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000074975272 292179102 /nfs/dbraw/zinc/17/91/02/292179102.db2.gz OIWCMRQYRDQSMN-PELKAZGASA-N -1 1 334.419 2.138 10 5 EEBEMM COc1ccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000186794219 160083337 /nfs/dbraw/zinc/08/33/37/160083337.db2.gz HXYQYXUVPJDJGL-MRVPVSSYSA-N -1 1 335.291 2.334 10 5 EEBEMM CC(C)N(CCc1nccs1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187203959 160095359 /nfs/dbraw/zinc/09/53/59/160095359.db2.gz RUUYFFYQLQJSFY-UHFFFAOYSA-N -1 1 336.373 2.245 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@H](CO)C1 ZINC000416648005 313284713 /nfs/dbraw/zinc/28/47/13/313284713.db2.gz WQBTVJIBZQEIIN-UWVGGRQHSA-N -1 1 348.808 2.078 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)s1 ZINC000190947675 323471841 /nfs/dbraw/zinc/47/18/41/323471841.db2.gz INMDEGVXDCUIHO-UHFFFAOYSA-N -1 1 348.352 2.456 10 5 EEBEMM Cc1cccc(C(=O)Nc2cc(-c3nccn3C)n[nH]2)c1[N+](=O)[O-] ZINC000119515165 462906928 /nfs/dbraw/zinc/90/69/28/462906928.db2.gz RZYJIZZNGRFPHU-UHFFFAOYSA-N -1 1 326.316 2.279 10 5 EEBEMM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452646041 467403794 /nfs/dbraw/zinc/40/37/94/467403794.db2.gz OLEZAGLVCXUCTO-IONNQARKSA-N -1 1 333.266 2.498 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1CCC(O)CC1 ZINC000595351704 468822890 /nfs/dbraw/zinc/82/28/90/468822890.db2.gz KWVMRJVQWPQJOO-UHFFFAOYSA-N -1 1 348.808 2.078 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)c(F)cc1[N+](=O)[O-] ZINC000601464299 468885772 /nfs/dbraw/zinc/88/57/72/468885772.db2.gz KJPHTIGPCFSSMH-LLVKDONJSA-N -1 1 338.307 2.366 10 5 EEBEMM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610264593 469997213 /nfs/dbraw/zinc/99/72/13/469997213.db2.gz FVKLRUCPRUMUST-LBPRGKRZSA-N -1 1 335.385 2.380 10 5 EEBEMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(Cn2cccn2)on1 ZINC001124332009 1310873612 /nfs/dbraw/zinc/87/36/12/1310873612.db2.gz PGERNKMFUAKIFL-UHFFFAOYSA-N -1 1 331.263 2.219 10 5 EEBEMM COc1ccc(CNC(=O)c2cc(C)cc(C=O)c2[O-])cc1[N+](=O)[O-] ZINC001542174269 1342328037 /nfs/dbraw/zinc/32/80/37/1342328037.db2.gz DPBRPFPKNCSERX-UHFFFAOYSA-N -1 1 344.323 2.360 10 5 EEBEMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001636193658 1352661033 /nfs/dbraw/zinc/66/10/33/1352661033.db2.gz MTMFQFGNTDPOML-UHFFFAOYSA-N -1 1 342.355 2.283 10 5 EEBEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001651180926 1354042793 /nfs/dbraw/zinc/04/27/93/1354042793.db2.gz RVNOFNXEFGJYDG-UHFFFAOYSA-N -1 1 338.755 2.060 10 5 EEBEMM Cn1cc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC001147695673 791915017 /nfs/dbraw/zinc/91/50/17/791915017.db2.gz IEKCFSKHBXORDU-UHFFFAOYSA-N -1 1 340.339 2.160 10 5 EEBEMM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000375723362 167178901 /nfs/dbraw/zinc/17/89/01/167178901.db2.gz DUEYZBQHAHVOIH-ZUZCIYMTSA-N -1 1 343.339 2.160 10 5 EEBEMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccnc1 ZINC000416629245 313279413 /nfs/dbraw/zinc/27/94/13/313279413.db2.gz HGNVDRWYPKGBST-UHFFFAOYSA-N -1 1 341.414 2.307 10 5 EEBEMM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000175131018 464494420 /nfs/dbraw/zinc/49/44/20/464494420.db2.gz YFWGQGZFLJKIIK-GWCFXTLKSA-N -1 1 348.446 2.386 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc(F)ccc2F)s1 ZINC000175406321 464543624 /nfs/dbraw/zinc/54/36/24/464543624.db2.gz OCMAULRUMLZDKD-UHFFFAOYSA-N -1 1 348.352 2.456 10 5 EEBEMM C[C@@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753102 468674103 /nfs/dbraw/zinc/67/41/03/468674103.db2.gz FXZSOTSGNRESNQ-QMTHXVAHSA-N -1 1 333.369 2.202 10 5 EEBEMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000610032041 469975683 /nfs/dbraw/zinc/97/56/83/469975683.db2.gz AMCZJZYVNSOPCP-UHFFFAOYSA-N -1 1 348.340 2.052 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1F ZINC000867563309 1201634394 /nfs/dbraw/zinc/63/43/94/1201634394.db2.gz XVMZXYUMAIPHKT-QSDJMHMYSA-N -1 1 346.380 2.133 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](CO)C1 ZINC000841572677 1315581277 /nfs/dbraw/zinc/58/12/77/1315581277.db2.gz LVEMWTFGZUEKTO-KOLCDFICSA-N -1 1 348.808 2.078 10 5 EEBEMM COc1cnc(C(C)(C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)[n-]c1=O ZINC001156558226 1318073411 /nfs/dbraw/zinc/07/34/11/1318073411.db2.gz AECDTBGYSCZXKY-UHFFFAOYSA-N -1 1 346.343 2.073 10 5 EEBEMM O=C(c1ccc2n[n-]c(=S)n2c1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001294212063 1328931141 /nfs/dbraw/zinc/93/11/41/1328931141.db2.gz VLUVAOOSHRVTEO-UHFFFAOYSA-N -1 1 341.352 2.082 10 5 EEBEMM CC(C)(C(=O)Nc1cc([O-])c(F)cc1F)n1cc([N+](=O)[O-])cn1 ZINC001298975697 1330142023 /nfs/dbraw/zinc/14/20/23/1330142023.db2.gz YQDMSJASIHWTDS-UHFFFAOYSA-N -1 1 326.259 2.149 10 5 EEBEMM CC(C)n1nnc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC001610947031 1352292211 /nfs/dbraw/zinc/29/22/11/1352292211.db2.gz ZZIWCBZXESFNLB-UHFFFAOYSA-N -1 1 344.253 2.433 10 5 EEBEMM Nc1nccc(C(=O)[N-]c2nnc(-c3ccccc3)s2)c1[N+](=O)[O-] ZINC001583037309 1344866898 /nfs/dbraw/zinc/86/68/98/1344866898.db2.gz SQUQTWOBYHLIEJ-UHFFFAOYSA-N -1 1 342.340 2.343 10 5 EEBEMM CN(Cc1ccccc1)C1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000352856859 162314399 /nfs/dbraw/zinc/31/43/99/162314399.db2.gz HRJWDIOKXRBLJW-UHFFFAOYSA-N -1 1 341.367 2.257 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)CC2CCCC2)s1 ZINC000359917069 164196355 /nfs/dbraw/zinc/19/63/55/164196355.db2.gz LHAUQWOTHBYPAA-LLVKDONJSA-N -1 1 348.446 2.123 10 5 EEBEMM CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289991594 275168441 /nfs/dbraw/zinc/16/84/41/275168441.db2.gz VVJVXFBDNWLIOU-BQBZGAKWSA-N -1 1 340.760 2.089 10 5 EEBEMM CN(Cc1ccccc1)C(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000350962504 312355665 /nfs/dbraw/zinc/35/56/65/312355665.db2.gz SJJFNKXOAWQVIX-UHFFFAOYSA-N -1 1 341.327 2.174 10 5 EEBEMM Cc1nc([C@@H]2CCCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000338248454 465944389 /nfs/dbraw/zinc/94/43/89/465944389.db2.gz PWYCSHTYNKJGNO-ZDUSSCGKSA-N -1 1 331.332 2.094 10 5 EEBEMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cnc(CC2CC2)nc1 ZINC000340643217 466236468 /nfs/dbraw/zinc/23/64/68/466236468.db2.gz ZNKQUEFCBFFGSA-UHFFFAOYSA-N -1 1 348.384 2.279 10 5 EEBEMM COC1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000427267395 467147928 /nfs/dbraw/zinc/14/79/28/467147928.db2.gz YBAHZMZWTKPBSQ-UHFFFAOYSA-N -1 1 334.419 2.140 10 5 EEBEMM Cc1cnc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 ZINC000594476584 468599488 /nfs/dbraw/zinc/59/94/88/468599488.db2.gz TYAMYGJWWQHADU-UHFFFAOYSA-N -1 1 341.414 2.189 10 5 EEBEMM O=C(Nc1cnn(-c2ccncc2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534915 469274037 /nfs/dbraw/zinc/27/40/37/469274037.db2.gz AHNKQOUGEAGLRA-UHFFFAOYSA-N -1 1 325.284 2.133 10 5 EEBEMM C[C@H](COc1ccc(F)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001142052382 1315437841 /nfs/dbraw/zinc/43/78/41/1315437841.db2.gz RNNXQCMGWNSMKO-SECBINFHSA-N -1 1 335.291 2.032 10 5 EEBEMM COc1ccc(C(=O)CNC(=O)c2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC001151260620 1316491424 /nfs/dbraw/zinc/49/14/24/1316491424.db2.gz QECJXQWONSVSNL-UHFFFAOYSA-N -1 1 348.286 2.061 10 5 EEBEMM Cn1cc([N+](=O)[O-])c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC001162881713 1320981163 /nfs/dbraw/zinc/98/11/63/1320981163.db2.gz UYBRKAIJJQVYDI-UHFFFAOYSA-N -1 1 330.344 2.133 10 5 EEBEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001556324677 1342427631 /nfs/dbraw/zinc/42/76/31/1342427631.db2.gz DFMGGXWTSVWZHI-UHFFFAOYSA-N -1 1 348.384 2.002 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](c2ccccc2)CC1 ZINC001651267818 1354047125 /nfs/dbraw/zinc/04/71/25/1354047125.db2.gz IYECMPQWRNNOPB-HNNXBMFYSA-N -1 1 343.339 2.299 10 5 EEBEMM C[C@@H](COc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000920044571 770522826 /nfs/dbraw/zinc/52/28/26/770522826.db2.gz JKTAKWSHMBRJIE-JTQLQIEISA-N -1 1 342.398 2.402 10 5 EEBEMM CSc1nc(CNC(=O)c2c(C)cccc2[N+](=O)[O-])cc(=O)[n-]1 ZINC001452468492 1105501436 /nfs/dbraw/zinc/50/14/36/1105501436.db2.gz FCRXWNJXXOWWDY-UHFFFAOYSA-N -1 1 334.357 2.051 10 5 EEBEMM O=C(Cc1ccc(F)cc1[N+](=O)[O-])Nc1nc2c(c(=O)[n-]1)CCCC2 ZINC001528204667 1120964779 /nfs/dbraw/zinc/96/47/79/1120964779.db2.gz ASTYEUYRKIQKQI-UHFFFAOYSA-N -1 1 346.318 2.290 10 5 EEBEMM C[C@]1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000364056733 165011729 /nfs/dbraw/zinc/01/17/29/165011729.db2.gz LZJUGNCHAKHVGL-KRWDZBQOSA-N -1 1 327.340 2.499 10 5 EEBEMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncnc3oc(C)c(C)c32)n1 ZINC000191490084 274048654 /nfs/dbraw/zinc/04/86/54/274048654.db2.gz GCGNIDCXKQHQQK-UHFFFAOYSA-N -1 1 330.304 2.217 10 5 EEBEMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCc2[nH]cnc2C1 ZINC000597468322 468566714 /nfs/dbraw/zinc/56/67/14/468566714.db2.gz XUWMXBPLDVWIGC-ZETCQYMHSA-N -1 1 336.735 2.421 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCCO2)s1 ZINC000594475217 468599660 /nfs/dbraw/zinc/59/96/60/468599660.db2.gz SXOCAQYWWMXFDS-GXFFZTMASA-N -1 1 346.430 2.282 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]CC2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000594817837 468695550 /nfs/dbraw/zinc/69/55/50/468695550.db2.gz CHZNYQJGPLADTB-QWRGUYRKSA-N -1 1 344.437 2.162 10 5 EEBEMM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000583570373 468717661 /nfs/dbraw/zinc/71/76/61/468717661.db2.gz OLXBKUYWUXGGSW-RISCZKNCSA-N -1 1 345.359 2.283 10 5 EEBEMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000588144537 469121000 /nfs/dbraw/zinc/12/10/00/469121000.db2.gz MYLPTMLUFORKHW-JTQLQIEISA-N -1 1 336.316 2.070 10 5 EEBEMM C[C@H]1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C(=O)[O-] ZINC000563125588 469177526 /nfs/dbraw/zinc/17/75/26/469177526.db2.gz QEQOPHHBCJDCJC-GWCFXTLKSA-N -1 1 346.343 2.187 10 5 EEBEMM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000121083366 1201534040 /nfs/dbraw/zinc/53/40/40/1201534040.db2.gz FDCBBVRUFHIGCW-AWEZNQCLSA-N -1 1 348.396 2.199 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCC(O)CC1 ZINC000851821164 1291861288 /nfs/dbraw/zinc/86/12/88/1291861288.db2.gz PNUBDCSXMAPGOA-UHFFFAOYSA-N -1 1 348.808 2.078 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]C2(C)CCC(C)(C)CC2)c([N+](=O)[O-])n1 ZINC000859334609 1294397539 /nfs/dbraw/zinc/39/75/39/1294397539.db2.gz FESDMRCVDICDMR-UHFFFAOYSA-N -1 1 344.437 2.448 10 5 EEBEMM CSc1ncc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[n-]1 ZINC001543221350 1124124995 /nfs/dbraw/zinc/12/49/95/1124124995.db2.gz YLDSEHJIFFWOCR-QMMMGPOBSA-N -1 1 334.357 2.303 10 5 EEBEMM NN=c1nc[n-]c(Nc2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC000040656758 213365795 /nfs/dbraw/zinc/36/57/95/213365795.db2.gz QHTFBVBXRVZHHP-UHFFFAOYSA-N -1 1 343.116 2.316 10 5 EEBEMM O=C([O-])c1sccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000037370739 213141944 /nfs/dbraw/zinc/14/19/44/213141944.db2.gz XYBAUMQGIHQBIB-UHFFFAOYSA-N -1 1 328.327 2.155 10 5 EEBEMM CN(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000098117578 159250699 /nfs/dbraw/zinc/25/06/99/159250699.db2.gz IJTAPSQSENQVGA-UHFFFAOYSA-N -1 1 341.414 2.071 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(F)ccc2F)s1 ZINC000104752663 159290455 /nfs/dbraw/zinc/29/04/55/159290455.db2.gz ALWSWFWGTPHMKK-UHFFFAOYSA-N -1 1 334.325 2.413 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2nccs2)C1 ZINC000187095718 160091861 /nfs/dbraw/zinc/09/18/61/160091861.db2.gz QJGRYKDAUNAQHD-VIFPVBQESA-N -1 1 334.357 2.172 10 5 EEBEMM CN1CC[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000193445234 160181488 /nfs/dbraw/zinc/18/14/88/160181488.db2.gz VQXAAZMPSIMJKQ-LLVKDONJSA-N -1 1 342.355 2.049 10 5 EEBEMM Cc1nc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])sc1C ZINC000344082690 161196932 /nfs/dbraw/zinc/19/69/32/161196932.db2.gz WZPZGURMMWGOBT-UHFFFAOYSA-N -1 1 341.414 2.189 10 5 EEBEMM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000357423272 163702778 /nfs/dbraw/zinc/70/27/78/163702778.db2.gz VCOXXIMEQLIXBP-NXEZZACHSA-N -1 1 334.419 2.138 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1CO ZINC000178917899 464013350 /nfs/dbraw/zinc/01/33/50/464013350.db2.gz NFRBBUMZNXAIGO-GXSJLCMTSA-N -1 1 348.808 2.078 10 5 EEBEMM CN1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H]1c1ccccc1 ZINC000245784128 464513640 /nfs/dbraw/zinc/51/36/40/464513640.db2.gz ZHTCPKZLBLFADU-NVXWUHKLSA-N -1 1 341.367 2.476 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOCc2ccccc2)s1 ZINC000175403006 464541709 /nfs/dbraw/zinc/54/17/09/464541709.db2.gz JIJNSBKFGKSVFF-UHFFFAOYSA-N -1 1 342.398 2.151 10 5 EEBEMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357071761 465744723 /nfs/dbraw/zinc/74/47/23/465744723.db2.gz LKTAVHMLFJLSMB-UHFFFAOYSA-N -1 1 348.388 2.029 10 5 EEBEMM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1c[nH]nc1[N+](=O)[O-] ZINC000520199431 468231890 /nfs/dbraw/zinc/23/18/90/468231890.db2.gz MIFKJDHITQVMBN-UHFFFAOYSA-N -1 1 332.194 2.174 10 5 EEBEMM CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C)C1CC1 ZINC000592382505 468687273 /nfs/dbraw/zinc/68/72/73/468687273.db2.gz XTHADIBTDDEFDH-CYBMUJFWSA-N -1 1 328.390 2.378 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOCC1CCC1 ZINC000584694059 468912901 /nfs/dbraw/zinc/91/29/01/468912901.db2.gz JFDQJPCUTNAJMR-UHFFFAOYSA-N -1 1 348.808 2.343 10 5 EEBEMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000588144317 469121171 /nfs/dbraw/zinc/12/11/71/469121171.db2.gz DOMMIGSYRNKFPI-LBPRGKRZSA-N -1 1 334.344 2.245 10 5 EEBEMM COc1ccccc1CCN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193551202 534035338 /nfs/dbraw/zinc/03/53/38/534035338.db2.gz SNJYZOZBDDLVNS-UHFFFAOYSA-N -1 1 331.328 2.019 10 5 EEBEMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(-c3ccccc3F)no2)n1 ZINC000772916712 577305834 /nfs/dbraw/zinc/30/58/34/577305834.db2.gz HDCOALDKKXAYNO-UHFFFAOYSA-N -1 1 331.263 2.375 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)cc1F ZINC000867517380 686738850 /nfs/dbraw/zinc/73/88/50/686738850.db2.gz QAFZWGCAFUUHPU-LLVKDONJSA-N -1 1 338.307 2.366 10 5 EEBEMM Cc1ccc([N+](=O)[O-])c(C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1C ZINC001270631444 1185253076 /nfs/dbraw/zinc/25/30/76/1185253076.db2.gz PWLXLKMPSXSFKK-UHFFFAOYSA-N -1 1 325.328 2.119 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1F ZINC000867563308 1201634271 /nfs/dbraw/zinc/63/42/71/1201634271.db2.gz XVMZXYUMAIPHKT-JIXVBMEVSA-N -1 1 346.380 2.133 10 5 EEBEMM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCO1 ZINC000867422121 1289878461 /nfs/dbraw/zinc/87/84/61/1289878461.db2.gz URCMCNMUKYEXIN-GHMZBOCLSA-N -1 1 346.380 2.278 10 5 EEBEMM Cn1cc(-c2nsc([N-]C(=O)c3ccccc3[N+](=O)[O-])n2)cn1 ZINC001586036764 1348836475 /nfs/dbraw/zinc/83/64/75/1348836475.db2.gz QQNGNCSZPTVSAF-UHFFFAOYSA-N -1 1 330.329 2.099 10 5 EEBEMM O=C(Nc1cccc(F)c1[O-])c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001587389859 1348862262 /nfs/dbraw/zinc/86/22/62/1348862262.db2.gz SHPKVBMLAPNEGH-UHFFFAOYSA-N -1 1 343.274 2.273 10 5 EEBEMM Cc1ccc(NCCCNC(=O)c2ccc([O-])cn2)c([N+](=O)[O-])c1 ZINC001628380891 1352532184 /nfs/dbraw/zinc/53/21/84/1352532184.db2.gz PFWROOFTVCUPPM-UHFFFAOYSA-N -1 1 330.344 2.236 10 5 EEBEMM O=C(N[C@@H]1CCOc2c(F)cccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001184384397 802002751 /nfs/dbraw/zinc/00/27/51/802002751.db2.gz XSSIHBJSXWIXDX-GFCCVEGCSA-N -1 1 333.275 2.088 10 5 EEBEMM CCC(CC)(NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC001449021803 1094025999 /nfs/dbraw/zinc/02/59/99/1094025999.db2.gz IXKMQNCLJCNOEL-QWHCGFSZSA-N -1 1 344.375 2.043 10 5 EEBEMM COc1ccc([N-]C(=O)c2ncoc2-c2ccon2)c([N+](=O)[O-])c1 ZINC001530565066 1122010727 /nfs/dbraw/zinc/01/07/27/1122010727.db2.gz DXAOTWDNYQFSGU-UHFFFAOYSA-N -1 1 330.256 2.499 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC001534719756 1123393873 /nfs/dbraw/zinc/39/38/73/1123393873.db2.gz VRAFKALEXUPFKI-UHFFFAOYSA-N -1 1 345.311 2.093 10 5 EEBEMM CCC(CC)(NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC001568664614 1124678171 /nfs/dbraw/zinc/67/81/71/1124678171.db2.gz QZSKSHNOSPHGPI-QWHCGFSZSA-N -1 1 344.375 2.043 10 5 EEBEMM Cc1nc(N)sc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000069366410 215389308 /nfs/dbraw/zinc/38/93/08/215389308.db2.gz MCJNKSLIJIOPCR-UHFFFAOYSA-N -1 1 348.793 2.396 10 5 EEBEMM CCOC1CC(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000188292073 160120851 /nfs/dbraw/zinc/12/08/51/160120851.db2.gz FFBGLNGXAHAGFC-UHFFFAOYSA-N -1 1 334.419 2.140 10 5 EEBEMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCC[C@@H](CO)C1 ZINC000416648010 313284770 /nfs/dbraw/zinc/28/47/70/313284770.db2.gz WQBTVJIBZQEIIN-ZJUUUORDSA-N -1 1 348.808 2.078 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(C)C)c([N+](=O)[O-])n1 ZINC000339040303 465044655 /nfs/dbraw/zinc/04/46/55/465044655.db2.gz GOWQSXXGQFJOQA-NWDGAFQWSA-N -1 1 344.437 2.304 10 5 EEBEMM COc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066000627 462846033 /nfs/dbraw/zinc/84/60/33/462846033.db2.gz AGIVJWUJBQLDOP-UHFFFAOYSA-N -1 1 342.398 2.186 10 5 EEBEMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C3(C)CCCC3)on2)n1 ZINC000448412698 467591360 /nfs/dbraw/zinc/59/13/60/467591360.db2.gz GCZQNCZBHFGAPE-UHFFFAOYSA-N -1 1 333.348 2.883 10 5 EEBEMM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)cc1[N+](=O)[O-] ZINC000578550760 468215927 /nfs/dbraw/zinc/21/59/27/468215927.db2.gz NLXUMWVEDRNSPB-ZDUSSCGKSA-N -1 1 331.328 2.304 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOC[C@@H]1c1cccc(F)c1 ZINC000598229357 468799312 /nfs/dbraw/zinc/79/93/12/468799312.db2.gz KWUQTLGIVWUFJF-CQSZACIVSA-N -1 1 347.302 2.048 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1 ZINC000859368263 1294412955 /nfs/dbraw/zinc/41/29/55/1294412955.db2.gz XEQMYTMMQSGBGC-ZYHUDNBSSA-N -1 1 346.792 2.094 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccco1)CC(F)(F)F ZINC001292292476 1328380308 /nfs/dbraw/zinc/38/03/08/1328380308.db2.gz CCMHTRXOCUQRGT-UHFFFAOYSA-N -1 1 345.233 2.493 10 5 EEBEMM C[S@](=O)(=NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC001305237441 1331414479 /nfs/dbraw/zinc/41/44/79/1331414479.db2.gz VCHJUTGTTJRFAY-HSZRJFAPSA-N -1 1 339.304 2.132 10 5 EEBEMM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000848491723 1338709170 /nfs/dbraw/zinc/70/91/70/1338709170.db2.gz OPUUMWHGPIKZLQ-JTQLQIEISA-N -1 1 348.396 2.463 10 5 EEBEMM CCOC(=O)c1nc([C@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)n[n-]1 ZINC001559233328 1342499867 /nfs/dbraw/zinc/49/98/67/1342499867.db2.gz PJOLGDBBHWHFQC-LURJTMIESA-N -1 1 340.727 2.111 10 5 EEBEMM CCOC(=O)c1nnc([C@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)[n-]1 ZINC001559233328 1342499868 /nfs/dbraw/zinc/49/98/68/1342499868.db2.gz PJOLGDBBHWHFQC-LURJTMIESA-N -1 1 340.727 2.111 10 5 EEBEMM CCOC(=O)c1n[n-]c([C@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)n1 ZINC001559233328 1342499870 /nfs/dbraw/zinc/49/98/70/1342499870.db2.gz PJOLGDBBHWHFQC-LURJTMIESA-N -1 1 340.727 2.111 10 5 EEBEMM C[C@@](CO)(NC(=O)c1cc(F)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC001643602075 1352750894 /nfs/dbraw/zinc/75/08/94/1352750894.db2.gz ZCHRDJPVYJFNAG-INIZCTEOSA-N -1 1 334.303 2.077 10 5 EEBEMM C[S@](=O)(=NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1F ZINC001457099646 1109458893 /nfs/dbraw/zinc/45/88/93/1109458893.db2.gz XAISXWVDFGWJDX-HSZRJFAPSA-N -1 1 339.304 2.132 10 5 EEBEMM COC(=O)c1cc(NC(=O)c2ccc([O-])cc2F)cc([N+](=O)[O-])c1 ZINC001465394574 1110416576 /nfs/dbraw/zinc/41/65/76/1110416576.db2.gz SDGWRYGJRWMPJE-UHFFFAOYSA-N -1 1 334.259 2.478 10 5 EEBEMM CCC(CC)(NC(=O)c1cccc([N+](=O)[O-])c1Cl)c1nn[n-]n1 ZINC001568663996 1124678056 /nfs/dbraw/zinc/67/80/56/1124678056.db2.gz IGPBVHYNRZEDOE-UHFFFAOYSA-N -1 1 338.755 2.207 10 5 EEBEMM Cc1cccc2nc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)[nH]c21 ZINC000119432653 292245401 /nfs/dbraw/zinc/24/54/01/292245401.db2.gz XIIZGBRUCHLWJZ-UHFFFAOYSA-N -1 1 326.312 2.415 10 5 EEBEMM COc1cccc(F)c1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187138049 160092907 /nfs/dbraw/zinc/09/29/07/160092907.db2.gz KUEOPYRPQNGBFC-MRVPVSSYSA-N -1 1 335.291 2.334 10 5 EEBEMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000339184345 465129592 /nfs/dbraw/zinc/12/95/92/465129592.db2.gz HCFGFPZGDKACIR-UHFFFAOYSA-N -1 1 332.316 2.012 10 5 EEBEMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCOCC1 ZINC000072718936 463539100 /nfs/dbraw/zinc/53/91/00/463539100.db2.gz VDZIDBNFZNABDA-SNVBAGLBSA-N -1 1 334.419 2.140 10 5 EEBEMM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000342990906 465437057 /nfs/dbraw/zinc/43/70/57/465437057.db2.gz DSZZNQNJFMKBAX-JTQLQIEISA-N -1 1 348.446 2.123 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2ccccn2)C1 ZINC000590403169 468247061 /nfs/dbraw/zinc/24/70/61/468247061.db2.gz YTQCQDNSNNTLBE-NSHDSACASA-N -1 1 328.328 2.110 10 5 EEBEMM COc1ccc(S(=O)(=O)[N-]C(C)(C)C(C)(F)F)c([N+](=O)[O-])c1 ZINC000594578509 468626349 /nfs/dbraw/zinc/62/63/49/468626349.db2.gz FFDQEEISYWOWLE-UHFFFAOYSA-N -1 1 338.332 2.316 10 5 EEBEMM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760432 468677364 /nfs/dbraw/zinc/67/73/64/468677364.db2.gz SDGPRHUZZHCYCU-CYBMUJFWSA-N -1 1 333.369 2.264 10 5 EEBEMM CC(C)[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000599208288 469164368 /nfs/dbraw/zinc/16/43/68/469164368.db2.gz DMUXUTNIQUHPQO-ZDUSSCGKSA-N -1 1 338.389 2.004 10 5 EEBEMM COC(=O)c1cc(C(=O)Nc2c([O-])cccc2F)cc([N+](=O)[O-])c1 ZINC000609851209 469965471 /nfs/dbraw/zinc/96/54/71/469965471.db2.gz UFZLNDBTNMLNQP-UHFFFAOYSA-N -1 1 334.259 2.478 10 5 EEBEMM COc1cnc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(C)n2)[n-]c1=O ZINC001187824274 1279660095 /nfs/dbraw/zinc/66/00/95/1279660095.db2.gz PUCSIKYYLKEPSM-LLVKDONJSA-N -1 1 331.332 2.144 10 5 EEBEMM O=C([N-]c1c(F)ccnc1F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001595930023 1349899414 /nfs/dbraw/zinc/89/94/14/1349899414.db2.gz YBLREWIRYHHPBF-UHFFFAOYSA-N -1 1 346.253 2.101 10 5 EEBEMM O=C([N-]c1ccnc(F)c1F)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001131429228 812820814 /nfs/dbraw/zinc/82/08/14/812820814.db2.gz WITBCBHDBHFODF-UHFFFAOYSA-N -1 1 337.238 2.292 10 5 EEBEMM CCC(CC)(NC(=O)c1cc([N+](=O)[O-])c(F)cc1C)c1nn[n-]n1 ZINC001467793389 1110463833 /nfs/dbraw/zinc/46/38/33/1110463833.db2.gz KVMOKXSQPJBRHS-UHFFFAOYSA-N -1 1 336.327 2.001 10 5 EEBEMM CCc1ncc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000451960147 243327906 /nfs/dbraw/zinc/32/79/06/243327906.db2.gz PAUNSVKZPUJCAZ-UHFFFAOYSA-N -1 1 339.373 2.241 10 5 EEBEMM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000121095235 292260822 /nfs/dbraw/zinc/26/08/22/292260822.db2.gz JLSGAWARUMFINJ-LBPRGKRZSA-N -1 1 336.435 2.122 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)CC2CCCCC2)s1 ZINC000416658059 313288248 /nfs/dbraw/zinc/28/82/48/313288248.db2.gz JZUZNKIPFXKISM-LLVKDONJSA-N -1 1 348.446 2.266 10 5 EEBEMM Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])n1 ZINC000442805804 315211689 /nfs/dbraw/zinc/21/16/89/315211689.db2.gz ZIGCMTAFHKWRTB-UHFFFAOYSA-N -1 1 346.221 2.185 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)n[nH]2)cc1 ZINC000151593909 463558399 /nfs/dbraw/zinc/55/83/99/463558399.db2.gz FHONMUZTNIFFAW-UHFFFAOYSA-N -1 1 345.340 2.181 10 5 EEBEMM O=C(NCCCCOCc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000126570435 463649548 /nfs/dbraw/zinc/64/95/48/463649548.db2.gz QMKVXSPCMCASAJ-UHFFFAOYSA-N -1 1 345.355 2.422 10 5 EEBEMM CN(CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000353554777 465974182 /nfs/dbraw/zinc/97/41/82/465974182.db2.gz LSPLUVZGRQFHOI-UHFFFAOYSA-N -1 1 347.346 2.301 10 5 EEBEMM C[C@@]1(c2ccccc2)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000365213969 466746852 /nfs/dbraw/zinc/74/68/52/466746852.db2.gz AGDWXYDWQLHRJV-QGZVFWFLSA-N -1 1 327.340 2.499 10 5 EEBEMM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000417592671 466890500 /nfs/dbraw/zinc/89/05/00/466890500.db2.gz HCFMTOBHWSIVDP-HNNXBMFYSA-N -1 1 332.360 2.367 10 5 EEBEMM CCOC(=O)C([O-])=Cc1c(Br)cnc(OC)c1[N+](=O)[O-] ZINC000584653495 468909590 /nfs/dbraw/zinc/90/95/90/468909590.db2.gz RLOKLVSATIGQHD-YWEYNIOJSA-N -1 1 347.121 2.223 10 5 EEBEMM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000599203425 469162351 /nfs/dbraw/zinc/16/23/51/469162351.db2.gz GPPSEJBUMRRCPU-QMMMGPOBSA-N -1 1 344.780 2.021 10 5 EEBEMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000619506952 469629114 /nfs/dbraw/zinc/62/91/14/469629114.db2.gz KQHPSHRHTZDNPU-UHFFFAOYSA-N -1 1 348.340 2.052 10 5 EEBEMM O=C(OCc1cnn(-c2ccccc2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045723 577567937 /nfs/dbraw/zinc/56/79/37/577567937.db2.gz HRZVPNNYQIPSFR-UHFFFAOYSA-N -1 1 340.295 2.238 10 5 EEBEMM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC001132550284 1199857455 /nfs/dbraw/zinc/85/74/55/1199857455.db2.gz CKAMYTUPXBDFNP-JTQLQIEISA-N -1 1 335.345 2.254 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H]1CCCOC1 ZINC000859252313 1294364602 /nfs/dbraw/zinc/36/46/02/1294364602.db2.gz MDVDTMOGHRBLQN-SNVBAGLBSA-N -1 1 348.808 2.343 10 5 EEBEMM CCOC(=O)c1nc([C@@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)n[n-]1 ZINC001612592202 1352310199 /nfs/dbraw/zinc/31/01/99/1352310199.db2.gz VRJOOBGTBPMJFY-ZCFIWIBFSA-N -1 1 341.274 2.341 10 5 EEBEMM CCOC(=O)c1nnc([C@@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)[n-]1 ZINC001612592202 1352310201 /nfs/dbraw/zinc/31/02/01/1352310201.db2.gz VRJOOBGTBPMJFY-ZCFIWIBFSA-N -1 1 341.274 2.341 10 5 EEBEMM CCOC(=O)c1n[n-]c([C@@H](C)Nc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC001612592202 1352310204 /nfs/dbraw/zinc/31/02/04/1352310204.db2.gz VRJOOBGTBPMJFY-ZCFIWIBFSA-N -1 1 341.274 2.341 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])n1 ZINC001525686696 1120349205 /nfs/dbraw/zinc/34/92/05/1120349205.db2.gz OOYPXRFPMFCHRA-UHFFFAOYSA-N -1 1 340.242 2.025 10 5 EEBEMM CCC(CC)(CCO)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000124278697 292288384 /nfs/dbraw/zinc/28/83/84/292288384.db2.gz WRMOARKAMQVDFZ-UHFFFAOYSA-N -1 1 336.435 2.123 10 5 EEBEMM CCN(CCNC(=O)c1cc([O-])ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000355300263 163137748 /nfs/dbraw/zinc/13/77/48/163137748.db2.gz BIOYJTZYRQOXEK-UHFFFAOYSA-N -1 1 349.309 2.305 10 5 EEBEMM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO[C@@H]1C1CC1 ZINC000368770418 166123734 /nfs/dbraw/zinc/12/37/34/166123734.db2.gz OZMSRESSTFHKKW-CHWSQXEVSA-N -1 1 346.430 2.140 10 5 EEBEMM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000443389929 315245594 /nfs/dbraw/zinc/24/55/94/315245594.db2.gz VREUDLLLEZNEPV-VIFPVBQESA-N -1 1 342.398 2.271 10 5 EEBEMM CN(C)Cc1cnc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])s1 ZINC000349104518 465971412 /nfs/dbraw/zinc/97/14/12/465971412.db2.gz FIJLWKQFGOXDCI-ARJAWSKDSA-N -1 1 334.357 2.377 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)s1 ZINC000610858726 469092742 /nfs/dbraw/zinc/09/27/42/469092742.db2.gz OEAUHGRGODAZLI-SECBINFHSA-N -1 1 332.403 2.036 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCc2nc[nH]c2C12CCC2 ZINC001643869858 1352754379 /nfs/dbraw/zinc/75/43/79/1352754379.db2.gz ODADUIYYWUFNEL-UHFFFAOYSA-N -1 1 328.328 2.101 10 5 EEBEMM Cc1ccc([S@](C)(=O)=NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001179389789 799913975 /nfs/dbraw/zinc/91/39/75/799913975.db2.gz SXGVUNMHIDQKHM-QHCPKHFHSA-N -1 1 335.341 2.301 10 5 EEBEMM Nc1nccc(C(=O)[N-]c2cc(F)c(F)c(F)c2F)c1[N+](=O)[O-] ZINC001471277011 1110519866 /nfs/dbraw/zinc/51/98/66/1110519866.db2.gz ZBLMVODZUWIUIK-UHFFFAOYSA-N -1 1 330.197 2.381 10 5 EEBEMM O=C(c1cnncc1[O-])N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001569298492 1125217450 /nfs/dbraw/zinc/21/74/50/1125217450.db2.gz FYOPPWZUILVSPL-LBPRGKRZSA-N -1 1 328.328 2.110 10 5 EEBEMM Cc1ccc(Oc2nc[n-]c(=NN3CCN(C)CC3)c2[N+](=O)[O-])cc1 ZINC000040623715 213360170 /nfs/dbraw/zinc/36/01/70/213360170.db2.gz UJEJVTYNQQRALO-UHFFFAOYSA-N -1 1 344.375 2.060 10 5 EEBEMM O=C(NC1CCN(c2ccccc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187000991 236091194 /nfs/dbraw/zinc/09/11/94/236091194.db2.gz DGMCFGVOCUBJIU-UHFFFAOYSA-N -1 1 342.355 2.094 10 5 EEBEMM CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289693334 275139698 /nfs/dbraw/zinc/13/96/98/275139698.db2.gz VVJVXFBDNWLIOU-RNFRBKRXSA-N -1 1 340.760 2.089 10 5 EEBEMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nccn2C)n[nH]1 ZINC000119467314 462904354 /nfs/dbraw/zinc/90/43/54/462904354.db2.gz UZZKWZJTDLGXRM-UHFFFAOYSA-N -1 1 326.316 2.279 10 5 EEBEMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000178371888 463890478 /nfs/dbraw/zinc/89/04/78/463890478.db2.gz YRLIFUZRWLWOIP-UHFFFAOYSA-N -1 1 349.368 2.064 10 5 EEBEMM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365207708 466745348 /nfs/dbraw/zinc/74/53/48/466745348.db2.gz XZRRHTYPTKHBNU-WFASDCNBSA-N -1 1 343.339 2.203 10 5 EEBEMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC2(CCCCC2)O1 ZINC000594427888 468582543 /nfs/dbraw/zinc/58/25/43/468582543.db2.gz WMCJNKCGGRYVAF-NSHDSACASA-N -1 1 335.360 2.259 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000595375891 468830935 /nfs/dbraw/zinc/83/09/35/468830935.db2.gz GIZPKWUADBIKIM-NSHDSACASA-N -1 1 344.437 2.306 10 5 EEBEMM COc1cc(C(=O)[N-]c2ncn(C(C)C)n2)c([N+](=O)[O-])cc1OC ZINC000593230558 468911452 /nfs/dbraw/zinc/91/14/52/468911452.db2.gz WBCYKPPTVJYHRG-UHFFFAOYSA-N -1 1 335.320 2.037 10 5 EEBEMM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593589560 469049309 /nfs/dbraw/zinc/04/93/09/469049309.db2.gz UQLLHOLRJIIQML-SECBINFHSA-N -1 1 341.311 2.245 10 5 EEBEMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)n1 ZINC000813245632 1201183528 /nfs/dbraw/zinc/18/35/28/1201183528.db2.gz HWCXFBWLVHBBOA-UHFFFAOYSA-N -1 1 325.668 2.142 10 5 EEBEMM CC[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCO1 ZINC000867422122 1289878259 /nfs/dbraw/zinc/87/82/59/1289878259.db2.gz URCMCNMUKYEXIN-MNOVXSKESA-N -1 1 346.380 2.278 10 5 EEBEMM Cc1nc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])nn1C ZINC001129399043 810823672 /nfs/dbraw/zinc/82/36/72/810823672.db2.gz YPISDXDLXJPMSK-UHFFFAOYSA-N -1 1 340.137 2.047 10 5 EEBEMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)c1ccccc1 ZINC000808339577 812605630 /nfs/dbraw/zinc/60/56/30/812605630.db2.gz UUWMOJIJKCPCGI-RNCFNFMXSA-N -1 1 342.398 2.057 10 5 EEBEMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1 ZINC000072991960 159048967 /nfs/dbraw/zinc/04/89/67/159048967.db2.gz MYQNGWIKXRDXHO-SNVBAGLBSA-N -1 1 342.398 2.402 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc32)s1 ZINC000341949441 161026434 /nfs/dbraw/zinc/02/64/34/161026434.db2.gz HRGCOWCXUNKLGM-SECBINFHSA-N -1 1 340.382 2.111 10 5 EEBEMM Cc1c(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000359092866 164056337 /nfs/dbraw/zinc/05/63/37/164056337.db2.gz YMHBTJGIVFJOHC-UHFFFAOYSA-N -1 1 338.323 2.070 10 5 EEBEMM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000282658726 292847346 /nfs/dbraw/zinc/84/73/46/292847346.db2.gz MOXCYJQFOOSQRI-SECBINFHSA-N -1 1 336.822 2.421 10 5 EEBEMM Cc1sc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1[N+](=O)[O-] ZINC000339190513 465133027 /nfs/dbraw/zinc/13/30/27/465133027.db2.gz WHCKYGILGJZTJX-UHFFFAOYSA-N -1 1 338.345 2.073 10 5 EEBEMM O=C(NCC[C@@H]1CCc2ccccc2N1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000593927106 468437245 /nfs/dbraw/zinc/43/72/45/468437245.db2.gz VVCSFJIEHRKECM-LBPRGKRZSA-N -1 1 342.355 2.242 10 5 EEBEMM Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cc(F)c([O-])cc1Cl ZINC001157899986 1318922868 /nfs/dbraw/zinc/92/28/68/1318922868.db2.gz PKKIPKNYSUXQLS-UHFFFAOYSA-N -1 1 328.687 2.237 10 5 EEBEMM C[C@](CO)(NC(=O)c1ccc([O-])cc1F)c1cccc([N+](=O)[O-])c1 ZINC001643601623 1352750743 /nfs/dbraw/zinc/75/07/43/1352750743.db2.gz QQLWNEFUNIMWBK-MRXNPFEDSA-N -1 1 334.303 2.077 10 5 EEBEMM O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001651066773 1354038484 /nfs/dbraw/zinc/03/84/84/1354038484.db2.gz VXTIYEGIRWXNQI-UHFFFAOYSA-N -1 1 347.718 2.155 10 5 EEBEMM O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001168915321 803516466 /nfs/dbraw/zinc/51/64/66/803516466.db2.gz WDEVHMHARDRZKF-UHFFFAOYSA-N -1 1 340.295 2.444 10 5 EEBEMM CN1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C2(CCCCC2)C1 ZINC001544681110 1124163122 /nfs/dbraw/zinc/16/31/22/1124163122.db2.gz QITPFTMHHYWJLX-UHFFFAOYSA-N -1 1 333.388 2.391 10 5 EEBEMM COCCNc1ncnc([N-]c2cc(F)ccc2F)c1[N+](=O)[O-] ZINC000040656979 213364968 /nfs/dbraw/zinc/36/49/68/213364968.db2.gz YMYQWTWWMFWDTP-UHFFFAOYSA-N -1 1 325.275 2.465 10 5 EEBEMM Cc1[nH]nc2cc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc12 ZINC000093909149 159240666 /nfs/dbraw/zinc/24/06/66/159240666.db2.gz XFDOZNQGRZTBOQ-UHFFFAOYSA-N -1 1 348.340 2.286 10 5 EEBEMM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC2(CCCC2)O1 ZINC000189379685 281219916 /nfs/dbraw/zinc/21/99/16/281219916.db2.gz CIIVZGHALNRVFW-UHFFFAOYSA-N -1 1 335.360 2.259 10 5 EEBEMM O=C1CCN1c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000442232322 315197043 /nfs/dbraw/zinc/19/70/43/315197043.db2.gz JWBYYCNTAIWTHX-UHFFFAOYSA-N -1 1 347.352 2.132 10 5 EEBEMM Cc1nc2c(s1)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCC2 ZINC000365781805 466937310 /nfs/dbraw/zinc/93/73/10/466937310.db2.gz WFQVJYUGLLQWGR-JTQLQIEISA-N -1 1 334.357 2.268 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCc1cccc(F)c1 ZINC000610263528 469996605 /nfs/dbraw/zinc/99/66/05/469996605.db2.gz YZMUXOOBBPBYMF-UHFFFAOYSA-N -1 1 339.348 2.040 10 5 EEBEMM O=C(NC1CC(Nc2ccccc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001649020884 1190952210 /nfs/dbraw/zinc/95/22/10/1190952210.db2.gz ZENLDVXOJYPFOX-UHFFFAOYSA-N -1 1 328.328 2.068 10 5 EEBEMM COc1nnc([N-]C(=O)c2cccc(SC)c2[N+](=O)[O-])s1 ZINC001301962487 1331315629 /nfs/dbraw/zinc/31/56/29/1331315629.db2.gz OFXVSNRMJMTIIE-UHFFFAOYSA-N -1 1 326.359 2.429 10 5 EEBEMM O=C(Nc1ccccc1-c1nnc[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001623329338 1352394943 /nfs/dbraw/zinc/39/49/43/1352394943.db2.gz DKXVTWKJNZLIMG-UHFFFAOYSA-N -1 1 325.284 2.338 10 5 EEBEMM Cc1cnc(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])[n-]c1=O ZINC001643947704 1352756126 /nfs/dbraw/zinc/75/61/26/1352756126.db2.gz RFHQPUQUPRWEDA-UHFFFAOYSA-N -1 1 334.357 2.438 10 5 EEBEMM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000173605330 152180600 /nfs/dbraw/zinc/18/06/00/152180600.db2.gz GCTWVHDTZMFSNT-SNVBAGLBSA-N -1 1 343.430 2.294 10 5 EEBEMM CC(C)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000416631183 313279785 /nfs/dbraw/zinc/27/97/85/313279785.db2.gz JLULYTBNXSOOBO-JTQLQIEISA-N -1 1 326.296 2.460 10 5 EEBEMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(F)c2)c1 ZINC000432191898 314685802 /nfs/dbraw/zinc/68/58/02/314685802.db2.gz LJAUQMQBBAMJJO-UHFFFAOYSA-N -1 1 340.288 2.233 10 5 EEBEMM COCc1nc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)co1 ZINC000548192474 318364030 /nfs/dbraw/zinc/36/40/30/318364030.db2.gz UZGOBDKIYBUUKR-UHFFFAOYSA-N -1 1 349.299 2.143 10 5 EEBEMM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000173975520 464342987 /nfs/dbraw/zinc/34/29/87/464342987.db2.gz WNKNSILGFQWNEW-LLVKDONJSA-N -1 1 342.398 2.322 10 5 EEBEMM CCCc1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 ZINC000126501888 1199921853 /nfs/dbraw/zinc/92/18/53/1199921853.db2.gz RMZPAXODNOQQBZ-UHFFFAOYSA-N -1 1 328.325 2.210 10 5 EEBEMM O=C(OCc1cn(-c2ccccc2)nn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071794 1236340163 /nfs/dbraw/zinc/34/01/63/1236340163.db2.gz LDDVTJHFOPBTCJ-UHFFFAOYSA-N -1 1 340.295 2.238 10 5 EEBEMM C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])cc2ccccc21)c1nn[n-]n1 ZINC000860786122 1295110381 /nfs/dbraw/zinc/11/03/81/1295110381.db2.gz UYJOXOGIPHGERG-JTQLQIEISA-N -1 1 340.343 2.137 10 5 EEBEMM COc1nscc1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001643891581 1352755069 /nfs/dbraw/zinc/75/50/69/1352755069.db2.gz IJNAAVDHBLWGQK-UHFFFAOYSA-N -1 1 337.313 2.083 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)[C@@H]2CCCOC2)s1 ZINC000921857589 797666103 /nfs/dbraw/zinc/66/61/03/797666103.db2.gz XLPDRCAMAWEDGA-ZWNOBZJWSA-N -1 1 346.430 2.140 10 5 EEBEMM COC(C)(C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)n1 ZINC001535057281 1123500313 /nfs/dbraw/zinc/50/03/13/1123500313.db2.gz IILCWXFQCJLOIQ-UHFFFAOYSA-N -1 1 337.361 2.284 10 5 EEBEMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000101570961 219140371 /nfs/dbraw/zinc/14/03/71/219140371.db2.gz LFPWZVIPVYGJDO-LDYMZIIASA-N -1 1 334.781 2.094 10 5 EEBEMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000345613991 161316379 /nfs/dbraw/zinc/31/63/79/161316379.db2.gz SCZMURFSLHEIJZ-JTQLQIEISA-N -1 1 326.296 2.460 10 5 EEBEMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]2CCCO[C@@H]21 ZINC000365606026 276163518 /nfs/dbraw/zinc/16/35/18/276163518.db2.gz CORJZJKFMUZKII-FXAINCCUSA-N -1 1 346.430 2.138 10 5 EEBEMM O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccc([O-])c1[N+](=O)[O-] ZINC000357351550 465972730 /nfs/dbraw/zinc/97/27/30/465972730.db2.gz KCRPFJKWGCTHSR-CQSZACIVSA-N -1 1 341.367 2.305 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2ccccn2)C1 ZINC000590401252 468247114 /nfs/dbraw/zinc/24/71/14/468247114.db2.gz JSOPQMPFLNBQGG-NSHDSACASA-N -1 1 328.328 2.110 10 5 EEBEMM CCO[C@H](CS(=O)(=O)[N-]c1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000600651300 468610803 /nfs/dbraw/zinc/61/08/03/468610803.db2.gz GOHAGKUIHUTRKH-CQSZACIVSA-N -1 1 344.389 2.160 10 5 EEBEMM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCC(C)(C(=O)[O-])CC1 ZINC000592397359 468689776 /nfs/dbraw/zinc/68/97/76/468689776.db2.gz JLSCYCQEQYWHKR-LLVKDONJSA-N -1 1 335.360 2.109 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOC[C@H]1c1cccc(F)c1 ZINC000598229354 468799534 /nfs/dbraw/zinc/79/95/34/468799534.db2.gz KWUQTLGIVWUFJF-AWEZNQCLSA-N -1 1 347.302 2.048 10 5 EEBEMM Cc1cc([C@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c(C)s1 ZINC000599212736 469165341 /nfs/dbraw/zinc/16/53/41/469165341.db2.gz DWOVDNUAGHBBKH-QMMMGPOBSA-N -1 1 344.418 2.046 10 5 EEBEMM O=C(N[C@H]1Cc2ccc(Cl)cc2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000800581989 1234330572 /nfs/dbraw/zinc/33/05/72/1234330572.db2.gz PCGXMTMBJZHRKP-LBPRGKRZSA-N -1 1 333.731 2.246 10 5 EEBEMM CO[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000842807487 1315777186 /nfs/dbraw/zinc/77/71/86/1315777186.db2.gz YRPIUQZEZTUHPM-NSHDSACASA-N -1 1 334.781 2.415 10 5 EEBEMM Cc1nocc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Sc1nc[nH]n1 ZINC001628176619 1352524415 /nfs/dbraw/zinc/52/44/15/1352524415.db2.gz KXGMRAOKHPNIRY-UHFFFAOYSA-N -1 1 346.328 2.413 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2cc(F)cc(F)c2C1 ZINC001654864972 1354160060 /nfs/dbraw/zinc/16/00/60/1354160060.db2.gz VCLOADGVPBGQSK-UHFFFAOYSA-N -1 1 335.266 2.172 10 5 EEBEMM CCC(CC)(NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC001449021814 1094025883 /nfs/dbraw/zinc/02/58/83/1094025883.db2.gz IXKMQNCLJCNOEL-STQMWFEESA-N -1 1 344.375 2.043 10 5 EEBEMM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cc(-c2cccc(F)c2)no1 ZINC001460048758 1110254356 /nfs/dbraw/zinc/25/43/56/1110254356.db2.gz GCNJDTYRRYYUMK-UHFFFAOYSA-N -1 1 331.263 2.375 10 5 EEBEMM CCOC(=O)c1c[n-]c(NC(=O)c2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC001525803432 1120359618 /nfs/dbraw/zinc/35/96/18/1120359618.db2.gz WFYFYDDLJLBSPA-UHFFFAOYSA-N -1 1 332.316 2.364 10 5 EEBEMM CCOC(=O)c1cnc(-c2cc([N+](=O)[O-])ccc2OCC)[n-]c1=O ZINC000039243768 213232944 /nfs/dbraw/zinc/23/29/44/213232944.db2.gz HHCBTMADUMSFOZ-UHFFFAOYSA-N -1 1 333.300 2.333 10 5 EEBEMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000187018984 236095807 /nfs/dbraw/zinc/09/58/07/236095807.db2.gz VUFTUZPYXCOTDL-XHDPSFHLSA-N -1 1 343.339 2.298 10 5 EEBEMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1Cc2ccccc2C2(CC2)C1 ZINC000186432041 160070601 /nfs/dbraw/zinc/07/06/01/160070601.db2.gz GGTSKLNYQYOOAQ-UHFFFAOYSA-N -1 1 325.324 2.383 10 5 EEBEMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ccc([N+](=O)[O-])cn1 ZINC000531990437 448178610 /nfs/dbraw/zinc/17/86/10/448178610.db2.gz GRBXWYHIVFMCKI-UHFFFAOYSA-N -1 1 333.251 2.198 10 5 EEBEMM Cc1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)sc1C ZINC000152212705 463662278 /nfs/dbraw/zinc/66/22/78/463662278.db2.gz BQASRZAAJQADQT-UHFFFAOYSA-N -1 1 347.443 2.251 10 5 EEBEMM C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193691005 463728036 /nfs/dbraw/zinc/72/80/36/463728036.db2.gz KIOVWBNYHNSKSU-JTQLQIEISA-N -1 1 331.328 2.104 10 5 EEBEMM Cn1cc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2[O-])n1 ZINC000436769687 467553607 /nfs/dbraw/zinc/55/36/07/467553607.db2.gz ZLFRGPAYEDZHAO-UHFFFAOYSA-N -1 1 341.121 2.049 10 5 EEBEMM COc1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)cc1[N+](=O)[O-] ZINC000578550759 468215641 /nfs/dbraw/zinc/21/56/41/468215641.db2.gz NLXUMWVEDRNSPB-CYBMUJFWSA-N -1 1 331.328 2.304 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-]C[C@H]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000594817835 468695422 /nfs/dbraw/zinc/69/54/22/468695422.db2.gz CHZNYQJGPLADTB-GDNZZTSVSA-N -1 1 344.437 2.162 10 5 EEBEMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[nH]nc1C1CC1 ZINC000760320195 577660685 /nfs/dbraw/zinc/66/06/85/577660685.db2.gz OGBAVOFVXSABQV-UHFFFAOYSA-N -1 1 328.375 2.366 10 5 EEBEMM COc1cc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)sn1 ZINC001610331403 1352206569 /nfs/dbraw/zinc/20/65/69/1352206569.db2.gz AKOQGUJLHCJDPD-UHFFFAOYSA-N -1 1 346.328 2.097 10 5 EEBEMM CCOC(=O)c1cc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)n[nH]1 ZINC001447174029 1102134777 /nfs/dbraw/zinc/13/47/77/1102134777.db2.gz IZEOIPSVBNXGTP-UHFFFAOYSA-N -1 1 348.315 2.146 10 5 EEBEMM O=C(CSc1ccc(O)cc1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001472977057 1110569486 /nfs/dbraw/zinc/56/94/86/1110569486.db2.gz CJSGAQZRDMAMDE-UHFFFAOYSA-N -1 1 332.337 2.349 10 5 EEBEMM Cc1nsc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 ZINC001531442913 1122405432 /nfs/dbraw/zinc/40/54/32/1122405432.db2.gz RWQXPHWASXIOBX-UHFFFAOYSA-N -1 1 336.329 2.168 10 5 EEBEMM CCc1ncc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000451955921 243323601 /nfs/dbraw/zinc/32/36/01/243323601.db2.gz GGDJZKKDSIBYOO-UHFFFAOYSA-N -1 1 339.373 2.241 10 5 EEBEMM COc1ccccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064243192 462690578 /nfs/dbraw/zinc/69/05/78/462690578.db2.gz SQNVFUXSUSGRBB-UHFFFAOYSA-N -1 1 342.398 2.186 10 5 EEBEMM Cc1ccc2c([O-])c(C(=O)NCc3ccccc3[N+](=O)[O-])cnc2n1 ZINC000339669861 465431758 /nfs/dbraw/zinc/43/17/58/465431758.db2.gz FHCCQKBWLBMGHE-UHFFFAOYSA-N -1 1 338.323 2.482 10 5 EEBEMM Cc1ccc2c(n1)[n-]cc(C(=O)NCc1ccccc1[N+](=O)[O-])c2=O ZINC000339669861 465431765 /nfs/dbraw/zinc/43/17/65/465431765.db2.gz FHCCQKBWLBMGHE-UHFFFAOYSA-N -1 1 338.323 2.482 10 5 EEBEMM CC(C)([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])c1cccs1 ZINC000594752452 468674036 /nfs/dbraw/zinc/67/40/36/468674036.db2.gz CTHNYWCQIAUPPI-UHFFFAOYSA-N -1 1 327.387 2.265 10 5 EEBEMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])CC2 ZINC000594753897 468674521 /nfs/dbraw/zinc/67/45/21/468674521.db2.gz HKHRCSIVARSBCD-ZDUSSCGKSA-N -1 1 333.369 2.264 10 5 EEBEMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595359634 468824691 /nfs/dbraw/zinc/82/46/91/468824691.db2.gz RGADWMRIJLHLMP-KPPDAEKUSA-N -1 1 331.369 2.185 10 5 EEBEMM CCn1cc(S(=O)(=O)[N-][C@@H](C)C2CCC(F)CC2)c([N+](=O)[O-])n1 ZINC000595359468 468825173 /nfs/dbraw/zinc/82/51/73/468825173.db2.gz NMSNZTUGHMAZPR-WHXUTIOJSA-N -1 1 348.400 2.006 10 5 EEBEMM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(F)c([O-])cc1Cl ZINC001157900274 1318922805 /nfs/dbraw/zinc/92/28/05/1318922805.db2.gz VZTZXXDKZJKITN-UHFFFAOYSA-N -1 1 326.671 2.322 10 5 EEBEMM O=C(NCCCOc1cccc(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001558717062 1342486992 /nfs/dbraw/zinc/48/69/92/1342486992.db2.gz FOPAMNYTZAOHGU-UHFFFAOYSA-N -1 1 335.291 2.033 10 5 EEBEMM CCCCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1(C)C ZINC001641348540 1352720944 /nfs/dbraw/zinc/72/09/44/1352720944.db2.gz DRVMPZCQJPNCHN-QWHCGFSZSA-N -1 1 337.376 2.409 10 5 EEBEMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cnn(CC2CCC2)c1 ZINC001647777555 1353401325 /nfs/dbraw/zinc/40/13/25/1353401325.db2.gz JZWMEOZDDWYCMI-SNVBAGLBSA-N -1 1 345.359 2.183 10 5 EEBEMM Cc1oc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)cc1S(C)(=O)=O ZINC001125337651 757526470 /nfs/dbraw/zinc/52/64/70/757526470.db2.gz NVWTTYNVNVXPBA-UHFFFAOYSA-N -1 1 342.304 2.291 10 5 EEBEMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCS1 ZINC000921713555 795587962 /nfs/dbraw/zinc/58/79/62/795587962.db2.gz AFPOZTMMEJNUDI-IUCAKERBSA-N -1 1 334.394 2.296 10 5 EEBEMM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188277678 278858125 /nfs/dbraw/zinc/85/81/25/278858125.db2.gz VLBROOGHYOKTRG-IAQYHMDHSA-N -1 1 343.339 2.298 10 5 EEBEMM C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193691018 463728287 /nfs/dbraw/zinc/72/82/87/463728287.db2.gz KIOVWBNYHNSKSU-SNVBAGLBSA-N -1 1 331.328 2.104 10 5 EEBEMM CC1(C)OCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000295169850 464731418 /nfs/dbraw/zinc/73/14/18/464731418.db2.gz AJGYXSQFNOKTPI-JTQLQIEISA-N -1 1 334.781 2.094 10 5 EEBEMM CCc1c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])onc1C(F)(F)F ZINC000356402915 465363330 /nfs/dbraw/zinc/36/33/30/465363330.db2.gz FHDUBTUCJNCLEO-UHFFFAOYSA-N -1 1 333.226 2.150 10 5 EEBEMM O=C(NCCc1cccc2[nH]ccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000337637758 465485685 /nfs/dbraw/zinc/48/56/85/465485685.db2.gz CZQUMTDYZXWRLR-UHFFFAOYSA-N -1 1 326.312 2.149 10 5 EEBEMM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357092261 465765597 /nfs/dbraw/zinc/76/55/97/465765597.db2.gz BUWINRCNGFZTRK-UHFFFAOYSA-N -1 1 348.388 2.028 10 5 EEBEMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccsc2)c1 ZINC000432192560 467223504 /nfs/dbraw/zinc/22/35/04/467223504.db2.gz NRWNYWCSYCYUBZ-UHFFFAOYSA-N -1 1 328.327 2.155 10 5 EEBEMM C[C@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1(F)F ZINC000594855905 468707798 /nfs/dbraw/zinc/70/77/98/468707798.db2.gz CTJZTFVRHUVRHM-VIFPVBQESA-N -1 1 326.346 2.370 10 5 EEBEMM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599396199 469242090 /nfs/dbraw/zinc/24/20/90/469242090.db2.gz HDYQDTIJTFLFIH-ISVAXAHUSA-N -1 1 346.792 2.094 10 5 EEBEMM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC001132550285 1199857136 /nfs/dbraw/zinc/85/71/36/1199857136.db2.gz CKAMYTUPXBDFNP-SNVBAGLBSA-N -1 1 335.345 2.254 10 5 EEBEMM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1cnc(C2CC2)o1 ZINC001160727531 1320250722 /nfs/dbraw/zinc/25/07/22/1320250722.db2.gz PKKXFPHXAYOLKV-UHFFFAOYSA-N -1 1 340.299 2.498 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2cccnc2)C1 ZINC001299934177 1330169471 /nfs/dbraw/zinc/16/94/71/1330169471.db2.gz AMXDZXNSWWSGFA-GFCCVEGCSA-N -1 1 328.328 2.110 10 5 EEBEMM Cc1c(Br)ccc([O-])c1NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001556771890 1342434503 /nfs/dbraw/zinc/43/45/03/1342434503.db2.gz OTUTXWATSPGHKN-UHFFFAOYSA-N -1 1 341.121 2.347 10 5 EEBEMM COc1c(Cl)cccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001639091843 1352694857 /nfs/dbraw/zinc/69/48/57/1352694857.db2.gz DWKNCBJOYASDTR-UHFFFAOYSA-N -1 1 337.719 2.287 10 5 EEBEMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)cc1Cl ZINC000819924460 785717538 /nfs/dbraw/zinc/71/75/38/785717538.db2.gz FQUQRLMALHGFEL-RNLVFQAGSA-N -1 1 334.756 2.464 10 5 EEBEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC001176593759 798491167 /nfs/dbraw/zinc/49/11/67/798491167.db2.gz IRGBTQZQYLSKDW-UHFFFAOYSA-N -1 1 338.755 2.060 10 5 EEBEMM CCO[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1(CC)CC ZINC001182864706 801378705 /nfs/dbraw/zinc/37/87/05/801378705.db2.gz ZWKJIWNFDBCDHC-STQMWFEESA-N -1 1 337.376 2.409 10 5 EEBEMM CCC(CC)(NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC001449021786 1094026094 /nfs/dbraw/zinc/02/60/94/1094026094.db2.gz IXKMQNCLJCNOEL-CHWSQXEVSA-N -1 1 344.375 2.043 10 5 EEBEMM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001452185941 1098286715 /nfs/dbraw/zinc/28/67/15/1098286715.db2.gz SVJLNDDCRCTMRN-UHFFFAOYSA-N -1 1 344.356 2.220 10 5 EEBEMM O=C([N-]c1cc(-c2nn[nH]n2)ccc1F)c1c(F)cccc1[N+](=O)[O-] ZINC001528093219 1120944304 /nfs/dbraw/zinc/94/43/04/1120944304.db2.gz DUENWEIRHQHARJ-UHFFFAOYSA-N -1 1 346.253 2.305 10 5 EEBEMM CCNc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC001535600278 1123585461 /nfs/dbraw/zinc/58/54/61/1123585461.db2.gz FDROXYGJJOUIEP-UHFFFAOYSA-N -1 1 344.253 2.416 10 5 EEBEMM CCCc1cc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])[nH]n1 ZINC000126415156 292310412 /nfs/dbraw/zinc/31/04/12/292310412.db2.gz ZGIXYHOREHYRRG-UHFFFAOYSA-N -1 1 340.361 2.080 10 5 EEBEMM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO[C@H]1C1CC1 ZINC000368770420 166124180 /nfs/dbraw/zinc/12/41/80/166124180.db2.gz OZMSRESSTFHKKW-QWHCGFSZSA-N -1 1 346.430 2.140 10 5 EEBEMM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000417592674 313546265 /nfs/dbraw/zinc/54/62/65/313546265.db2.gz HCFMTOBHWSIVDP-OAHLLOKOSA-N -1 1 332.360 2.367 10 5 EEBEMM Cc1cc(C)c(C[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])c(C)c1 ZINC000594751834 468674086 /nfs/dbraw/zinc/67/40/86/468674086.db2.gz DMPWSNMHFPBOJQ-UHFFFAOYSA-N -1 1 335.385 2.394 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])s1 ZINC000601371748 468846127 /nfs/dbraw/zinc/84/61/27/468846127.db2.gz MWTHWJQIJKTPKF-SSDOTTSWSA-N -1 1 326.346 2.431 10 5 EEBEMM COc1cc(OCC(=O)Nc2c([O-])cccc2F)ccc1[N+](=O)[O-] ZINC000610339683 470005887 /nfs/dbraw/zinc/00/58/87/470005887.db2.gz FPCHOFBGYIRAFZ-UHFFFAOYSA-N -1 1 336.275 2.466 10 5 EEBEMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](CO)C1 ZINC000841572678 1315581535 /nfs/dbraw/zinc/58/15/35/1315581535.db2.gz LVEMWTFGZUEKTO-MWLCHTKSSA-N -1 1 348.808 2.078 10 5 EEBEMM CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001295468202 1329813649 /nfs/dbraw/zinc/81/36/49/1329813649.db2.gz NIUMYDRUCGJYOB-AWEZNQCLSA-N -1 1 345.355 2.109 10 5 EEBEMM COC(=O)c1cc(C(C)=O)c(NC(=O)c2csc([N+](=O)[O-])c2)[n-]1 ZINC001616254626 1352327025 /nfs/dbraw/zinc/32/70/25/1352327025.db2.gz KFRQQUJACRKYKY-UHFFFAOYSA-N -1 1 337.313 2.226 10 5 EEBEMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc(-c3cccnc3)ns2)n1 ZINC001518688731 1119061958 /nfs/dbraw/zinc/06/19/58/1119061958.db2.gz JFFREHBMCZNHHL-UHFFFAOYSA-N -1 1 342.340 2.464 10 5 EEBEMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nccs2)C1 ZINC000187095700 160092052 /nfs/dbraw/zinc/09/20/52/160092052.db2.gz QJGRYKDAUNAQHD-SECBINFHSA-N -1 1 334.357 2.172 10 5 EEBEMM Cc1cc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])on1 ZINC000352640007 162222808 /nfs/dbraw/zinc/22/28/08/162222808.db2.gz NXYNWULJDRVENG-UHFFFAOYSA-N -1 1 345.764 2.066 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3O)s1 ZINC000443196512 315233231 /nfs/dbraw/zinc/23/32/31/315233231.db2.gz NTXDJYUHIGIPOW-JTQLQIEISA-N -1 1 340.382 2.328 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)C2CCCCC2)s1 ZINC000162004460 463475865 /nfs/dbraw/zinc/47/58/65/463475865.db2.gz TYTZJHBWSXUDGY-LLVKDONJSA-N -1 1 348.446 2.266 10 5 EEBEMM O=C(NCCc1cc(F)c(F)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000357104712 465777376 /nfs/dbraw/zinc/77/73/76/465777376.db2.gz WWVKEZFUCYKPLU-UHFFFAOYSA-N -1 1 341.245 2.085 10 5 EEBEMM CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000357423273 466025259 /nfs/dbraw/zinc/02/52/59/466025259.db2.gz VCOXXIMEQLIXBP-UWVGGRQHSA-N -1 1 334.419 2.138 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)s1 ZINC000347001860 466308758 /nfs/dbraw/zinc/30/87/58/466308758.db2.gz BAPOQUVWQOQCMV-UHFFFAOYSA-N -1 1 334.325 2.413 10 5 EEBEMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)CC(F)F ZINC000592068036 468610728 /nfs/dbraw/zinc/61/07/28/468610728.db2.gz ZKIBJBGJTMWJIL-SSDOTTSWSA-N -1 1 326.296 2.304 10 5 EEBEMM O=C(NC1CCC2(CC2(F)F)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598317879 468828700 /nfs/dbraw/zinc/82/87/00/468828700.db2.gz PZTXWSPMZFHZQS-UHFFFAOYSA-N -1 1 327.287 2.393 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)nc1 ZINC000593591688 469049636 /nfs/dbraw/zinc/04/96/36/469049636.db2.gz LDRMRVQJIJQEDQ-SECBINFHSA-N -1 1 335.332 2.094 10 5 EEBEMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000599459243 469265239 /nfs/dbraw/zinc/26/52/39/469265239.db2.gz FIBQOQRPDJXLKA-UOKLYIGXSA-N -1 1 348.808 2.338 10 5 EEBEMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C)O2)cc1F ZINC000867516522 1201626203 /nfs/dbraw/zinc/62/62/03/1201626203.db2.gz GPJUILQMVZRQCF-WDEREUQCSA-N -1 1 346.380 2.278 10 5 EEBEMM Cc1cnc2nc(C(=O)[N-]c3c(C)c([N+](=O)[O-])ccc3F)nn2c1 ZINC001585854458 1348823268 /nfs/dbraw/zinc/82/32/68/1348823268.db2.gz ZVZUJZHJIYLOAU-UHFFFAOYSA-N -1 1 330.279 2.041 10 5 EEBEMM O=C(Nc1ccc(-n2ccc(=O)[nH]2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001586211747 1348847676 /nfs/dbraw/zinc/84/76/76/1348847676.db2.gz ZPBINYZTKSACGL-UHFFFAOYSA-N -1 1 340.295 2.444 10 5 EEBEMM O=C(NCc1ccc(-c2cnco2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001639096626 1352694948 /nfs/dbraw/zinc/69/49/48/1352694948.db2.gz IURJBVUCCYDXHC-UHFFFAOYSA-N -1 1 340.295 2.280 10 5 EEBEMM COc1cnc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)[n-]c1=O ZINC001653332957 1354120716 /nfs/dbraw/zinc/12/07/16/1354120716.db2.gz JLJFNHCIDKSYNR-GFCCVEGCSA-N -1 1 344.327 2.076 10 5 EEBEMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1C1CCCC1 ZINC001520684898 1119186955 /nfs/dbraw/zinc/18/69/55/1119186955.db2.gz LQXYOAKQGVTGCT-GFCCVEGCSA-N -1 1 333.388 2.389 10 5 EEBEMM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cnc(Cl)s1 ZINC000050015892 214040725 /nfs/dbraw/zinc/04/07/25/214040725.db2.gz CSFJRJJAKODGBI-UHFFFAOYSA-N -1 1 333.778 2.183 10 5 EEBEMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](c2ccccc2)O1 ZINC000187018964 236095766 /nfs/dbraw/zinc/09/57/66/236095766.db2.gz VUFTUZPYXCOTDL-IAQYHMDHSA-N -1 1 343.339 2.298 10 5 EEBEMM Cc1nc2c(s1)[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CCC2 ZINC000360641623 282041984 /nfs/dbraw/zinc/04/19/84/282041984.db2.gz KTQLKWTWUYHBGP-LLVKDONJSA-N -1 1 334.357 2.268 10 5 EEBEMM Cc1cccc2nc(CNC(=O)c3ccc([N+](=O)[O-])cc3[O-])[nH]c21 ZINC000436893550 315010479 /nfs/dbraw/zinc/01/04/79/315010479.db2.gz PSYKJZFSPPORJK-UHFFFAOYSA-N -1 1 326.312 2.415 10 5 EEBEMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccc(O)cc2)s1 ZINC000443276295 315237514 /nfs/dbraw/zinc/23/75/14/315237514.db2.gz MOVYPUWCJAZEMW-UHFFFAOYSA-N -1 1 342.398 2.273 10 5 EEBEMM COC[C@]1(C(=O)[O-])CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000393008779 467429956 /nfs/dbraw/zinc/42/99/56/467429956.db2.gz KSRCDAHBNCJMDL-KRWDZBQOSA-N -1 1 345.355 2.379 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c([N+](=O)[O-])s1 ZINC000601471729 468889322 /nfs/dbraw/zinc/88/93/22/468889322.db2.gz HVRZMUNKJKTONG-ZETCQYMHSA-N -1 1 326.346 2.288 10 5 EEBEMM COc1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c([N+](=O)[O-])c1 ZINC000588144807 469121649 /nfs/dbraw/zinc/12/16/49/469121649.db2.gz VKMYKUXGWXTCCD-LLVKDONJSA-N -1 1 336.316 2.070 10 5 EEBEMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccccn1)C1CCC1 ZINC000599412739 469247298 /nfs/dbraw/zinc/24/72/98/469247298.db2.gz QMMQHYMDSNZRTO-CQSZACIVSA-N -1 1 348.384 2.205 10 5 EEBEMM COC(=O)[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000599654489 469326082 /nfs/dbraw/zinc/32/60/82/469326082.db2.gz MPKBOQILSDFRHY-SQWLQELKSA-N -1 1 334.372 2.464 10 5 EEBEMM COC(=O)[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000599654487 469326874 /nfs/dbraw/zinc/32/68/74/469326874.db2.gz MPKBOQILSDFRHY-IIAWOOMASA-N -1 1 334.372 2.464 10 5 EEBEMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2nccn2c1 ZINC000739385802 578051464 /nfs/dbraw/zinc/05/14/64/578051464.db2.gz XAUGVTXPWHFQGY-UHFFFAOYSA-N -1 1 336.304 2.182 10 5 EEBEMM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)c([N+](=O)[O-])s1 ZINC000866468500 1201524686 /nfs/dbraw/zinc/52/46/86/1201524686.db2.gz FVQDHCUOPLTDST-LURJTMIESA-N -1 1 345.229 2.437 10 5 EEBEMM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000859291665 1294379313 /nfs/dbraw/zinc/37/93/13/1294379313.db2.gz ZAWLTMUGOPGGMO-ISVAXAHUSA-N -1 1 346.792 2.094 10 5 EEBEMM C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1cccc([N+](=O)[O-])c1 ZINC001141891027 1315374238 /nfs/dbraw/zinc/37/42/38/1315374238.db2.gz BBYJHEXJHIZZIE-SECBINFHSA-N -1 1 328.328 2.459 10 5 EEBEMM CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001153807319 1316888775 /nfs/dbraw/zinc/88/87/75/1316888775.db2.gz LGDWWSNCFPFTDW-UHFFFAOYSA-N -1 1 338.755 2.060 10 5 EEBEMM Cc1cc(C=O)c([O-])c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001624391654 1352420002 /nfs/dbraw/zinc/42/00/02/1352420002.db2.gz CAZKZOHOAGMNFU-UHFFFAOYSA-N -1 1 343.339 2.263 10 5 EEBEMM C[C@](CO)(NC(=O)c1ccc([O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001635619606 1352648955 /nfs/dbraw/zinc/64/89/55/1352648955.db2.gz SDPSZHBIBVSEIM-MRXNPFEDSA-N -1 1 334.303 2.077 10 5 EEBEMM