smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000132954133 700833429 /nfs/dbraw/zinc/83/34/29/700833429.db2.gz ODGMKSRVCDHPPY-UHFFFAOYSA-N -1 1 368.798 3.388 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000159608375 705228378 /nfs/dbraw/zinc/22/83/78/705228378.db2.gz DYPFWSBTCIRMHV-CYBMUJFWSA-N -1 1 374.340 3.442 20 5 FGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 ZINC000159865685 705236063 /nfs/dbraw/zinc/23/60/63/705236063.db2.gz YDIVITUINKZXLM-VIFPVBQESA-N -1 1 356.379 3.161 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000175413206 705546102 /nfs/dbraw/zinc/54/61/02/705546102.db2.gz YANVSGGDUYSFMQ-NWDGAFQWSA-N -1 1 352.387 3.204 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000194334339 713518735 /nfs/dbraw/zinc/51/87/35/713518735.db2.gz VICJLVSSBFWEFW-MRVPVSSYSA-N -1 1 360.313 3.052 20 5 FGBDMM CSCCCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784375330 724847749 /nfs/dbraw/zinc/84/77/49/724847749.db2.gz MFHMKAYPFACTQH-UHFFFAOYSA-N -1 1 366.892 3.450 20 5 FGBDMM Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000728300551 722450996 /nfs/dbraw/zinc/45/09/96/722450996.db2.gz XSWBGSOWQDVLBM-UHFFFAOYSA-N -1 1 366.414 3.342 20 5 FGBDMM CC(C)(C)[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742281888 722554466 /nfs/dbraw/zinc/55/44/66/722554466.db2.gz STCWUTGIQNZWPT-QWHCGFSZSA-N -1 1 355.460 3.121 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000742318973 722555256 /nfs/dbraw/zinc/55/52/56/722555256.db2.gz LREYCLOZZDQXKW-NQBHXWOUSA-N -1 1 358.847 3.495 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(C2CCC2)cc1 ZINC000755179174 722950975 /nfs/dbraw/zinc/95/09/75/722950975.db2.gz AMPCUDGCGAKNJA-UHFFFAOYSA-N -1 1 364.398 3.480 20 5 FGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(O)cccc1F ZINC000761899040 723194035 /nfs/dbraw/zinc/19/40/35/723194035.db2.gz UJNQJLSYIALOPH-UHFFFAOYSA-N -1 1 360.750 3.202 20 5 FGBDMM C[C@@H](C(=O)Nc1nc(Br)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000762898809 723289564 /nfs/dbraw/zinc/28/95/64/723289564.db2.gz OZGZZIVIIHAYGU-MRVPVSSYSA-N -1 1 366.171 3.200 20 5 FGBDMM COc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 ZINC000765212708 723494285 /nfs/dbraw/zinc/49/42/85/723494285.db2.gz NAZCGBAPFKWNQC-UHFFFAOYSA-N -1 1 370.814 3.044 20 5 FGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c([C@@H](C)O)c1 ZINC000795378742 723586489 /nfs/dbraw/zinc/58/64/89/723586489.db2.gz CRCTXMJGQSMVQS-SECBINFHSA-N -1 1 372.349 3.036 20 5 FGBDMM CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768839050 723668959 /nfs/dbraw/zinc/66/89/59/723668959.db2.gz MJEWDHMJMZROFA-CYBMUJFWSA-N -1 1 370.452 3.485 20 5 FGBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cc1F ZINC000800050886 724136694 /nfs/dbraw/zinc/13/66/94/724136694.db2.gz CCWREINRWSGFBQ-UHFFFAOYSA-N -1 1 360.313 3.430 20 5 FGBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1 ZINC000800928409 724249414 /nfs/dbraw/zinc/24/94/14/724249414.db2.gz NASQEKZCDAGLCW-UHFFFAOYSA-N -1 1 362.741 3.468 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(-c3ccccn3)s2)c1F ZINC000788127854 725045577 /nfs/dbraw/zinc/04/55/77/725045577.db2.gz IKMDJBVEWMOYHN-UHFFFAOYSA-N -1 1 359.342 3.208 20 5 FGBDMM O=[N+]([O-])c1cnc(S[C@@H]2CCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000823651926 729296355 /nfs/dbraw/zinc/29/63/55/729296355.db2.gz RRMXZLAMMYJRRJ-CQSZACIVSA-N -1 1 354.395 3.340 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCCC1(F)F ZINC000831762259 729665857 /nfs/dbraw/zinc/66/58/57/729665857.db2.gz CMDMKHMAAGOHAG-SECBINFHSA-N -1 1 368.789 3.352 20 5 FGBDMM O=C([N-]CC1(C(F)(F)F)CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848590439 731186082 /nfs/dbraw/zinc/18/60/82/731186082.db2.gz SMQXSJMCXLVSKW-UHFFFAOYSA-N -1 1 354.231 3.025 20 5 FGBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852757924 731631250 /nfs/dbraw/zinc/63/12/50/731631250.db2.gz QPNOYDDFESBQOM-WZRBSPASSA-N -1 1 359.348 3.045 20 5 FGBDMM CC(C)(C)OC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000867616465 733501209 /nfs/dbraw/zinc/50/12/09/733501209.db2.gz SLLVSPQCDGLHKT-UHFFFAOYSA-N -1 1 362.473 3.061 20 5 FGBDMM CC[C@@]1(C(=O)[O-])CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000923471042 759126925 /nfs/dbraw/zinc/12/69/25/759126925.db2.gz UGJNOUXLFFMJMN-OAHLLOKOSA-N -1 1 371.231 3.434 20 5 FGBDMM O=C(c1nc[n-]c1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1)c1ccccc1 ZINC000580007708 505660444 /nfs/dbraw/zinc/66/04/44/505660444.db2.gz AOQAUSPYIYMJMU-UHFFFAOYSA-N -1 1 361.317 3.266 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000055678550 494387720 /nfs/dbraw/zinc/38/77/20/494387720.db2.gz QDZUZJYRYVOXTG-UHFFFAOYSA-N -1 1 354.359 3.242 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)s1 ZINC000107700984 494588535 /nfs/dbraw/zinc/58/85/35/494588535.db2.gz HUNURMRPNJTRCM-WDEREUQCSA-N -1 1 358.828 3.144 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000131037752 495483305 /nfs/dbraw/zinc/48/33/05/495483305.db2.gz XYPXGOQNGPRECO-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM Cc1ccccc1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146523299 495567664 /nfs/dbraw/zinc/56/76/64/495567664.db2.gz PULRTPGZKIOEBQ-UHFFFAOYSA-N -1 1 354.815 3.078 20 5 FGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 ZINC000159886309 495832602 /nfs/dbraw/zinc/83/26/02/495832602.db2.gz LSIHNMRREFALDE-SECBINFHSA-N -1 1 356.379 3.161 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000175011506 496205965 /nfs/dbraw/zinc/20/59/65/496205965.db2.gz XPVZAJLCAZZUNN-UHFFFAOYSA-N -1 1 360.391 3.223 20 5 FGBDMM Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000175639863 496477679 /nfs/dbraw/zinc/47/76/79/496477679.db2.gz SLLUTBUHXLRPMP-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c2ncccc12 ZINC000184768300 496524602 /nfs/dbraw/zinc/52/46/02/496524602.db2.gz QTNSKRWVOQDNTF-UHFFFAOYSA-N -1 1 365.317 3.222 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000184966930 496603581 /nfs/dbraw/zinc/60/35/81/496603581.db2.gz MBSLCSIYIYLPPV-UHFFFAOYSA-N -1 1 373.390 3.343 20 5 FGBDMM CCOc1cc(CN2CCc3ccccc3[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000572168848 505905977 /nfs/dbraw/zinc/90/59/77/505905977.db2.gz NPUZCRBVERGFPQ-SFHVURJKSA-N -1 1 356.378 3.178 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCc1ccccc1)C1CCCC1 ZINC000193722288 497459579 /nfs/dbraw/zinc/45/95/79/497459579.db2.gz SOGYUMPSSICNNH-UHFFFAOYSA-N -1 1 355.394 3.323 20 5 FGBDMM CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc21 ZINC000194689955 497740934 /nfs/dbraw/zinc/74/09/34/497740934.db2.gz NPPPQAUADPWDSA-UHFFFAOYSA-N -1 1 360.395 3.074 20 5 FGBDMM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000581369847 505973308 /nfs/dbraw/zinc/97/33/08/505973308.db2.gz XWKSGRZAGVPNSA-UHFFFAOYSA-N -1 1 365.411 3.063 20 5 FGBDMM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299125230 498971298 /nfs/dbraw/zinc/97/12/98/498971298.db2.gz HWTKYYWLOWXKGD-LLVKDONJSA-N -1 1 365.773 3.386 20 5 FGBDMM Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299336398 499028256 /nfs/dbraw/zinc/02/82/56/499028256.db2.gz DBOKFYKCWRVCNL-GFCCVEGCSA-N -1 1 370.409 3.356 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000373706664 499484237 /nfs/dbraw/zinc/48/42/37/499484237.db2.gz AGLMLTHQUFCHGH-UHFFFAOYSA-N -1 1 359.769 3.278 20 5 FGBDMM O=C(Nc1ccncc1[O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000409451256 499597842 /nfs/dbraw/zinc/59/78/42/499597842.db2.gz FADXBTIOEGOSEZ-UHFFFAOYSA-N -1 1 350.334 3.113 20 5 FGBDMM CC(C)(C)n1cnc([N-]C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000410691412 499674447 /nfs/dbraw/zinc/67/44/47/499674447.db2.gz HKLYWNZRZTXXRL-UHFFFAOYSA-N -1 1 357.292 3.212 20 5 FGBDMM O=C(N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000412622052 499869931 /nfs/dbraw/zinc/86/99/31/499869931.db2.gz ZJGHVCFOICLDDO-RISCZKNCSA-N -1 1 361.785 3.415 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431169535 500345194 /nfs/dbraw/zinc/34/51/94/500345194.db2.gz SXSCSYYSFVNYNR-UHFFFAOYSA-N -1 1 360.313 3.430 20 5 FGBDMM CCOCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)cc1 ZINC000438735534 500816156 /nfs/dbraw/zinc/81/61/56/500816156.db2.gz ZQZIXYMBUFCRDE-UHFFFAOYSA-N -1 1 364.423 3.495 20 5 FGBDMM Cc1ccccc1[C@H](CC(F)(F)F)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444630379 500869806 /nfs/dbraw/zinc/86/98/06/500869806.db2.gz ZVDWENGBVOWMTQ-LBPRGKRZSA-N -1 1 369.299 3.427 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000434970690 500917422 /nfs/dbraw/zinc/91/74/22/500917422.db2.gz CNZKFMSHOXLUJS-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM Cc1cccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(F)(F)F)c1 ZINC000445162477 500950841 /nfs/dbraw/zinc/95/08/41/500950841.db2.gz RTTBKWYUQCDLIY-LBPRGKRZSA-N -1 1 355.272 3.037 20 5 FGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1(c2ccccc2)CCCC1 ZINC000445211539 500954775 /nfs/dbraw/zinc/95/47/75/500954775.db2.gz KMENUHPOFFYLFT-ZDUSSCGKSA-N -1 1 355.394 3.326 20 5 FGBDMM CCOC(=O)c1cc(-c2nc(-c3ccc([O-])cc3F)no2)cc([N+](=O)[O-])c1 ZINC000445454429 500988705 /nfs/dbraw/zinc/98/87/05/500988705.db2.gz KWRYZKCULMARFT-UHFFFAOYSA-N -1 1 373.296 3.333 20 5 FGBDMM O=C(N[C@@H](c1ccc(F)cc1)C1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485386097 501804706 /nfs/dbraw/zinc/80/47/06/501804706.db2.gz YWLQLAFVLOZCNO-MRXNPFEDSA-N -1 1 359.357 3.496 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000474434568 501835195 /nfs/dbraw/zinc/83/51/95/501835195.db2.gz XYDPATJUNPDLFQ-UHFFFAOYSA-N -1 1 364.427 3.475 20 5 FGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1c2c(ccc1Cl)OCC2 ZINC000481865558 501903031 /nfs/dbraw/zinc/90/30/31/501903031.db2.gz LNFCMZKMPZSORM-UHFFFAOYSA-N -1 1 368.798 3.292 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c(F)c1 ZINC000481870751 501904134 /nfs/dbraw/zinc/90/41/34/501904134.db2.gz QFDNCAREYYGYEL-UHFFFAOYSA-N -1 1 372.761 3.123 20 5 FGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(CC2CCCCC2)n[nH]1 ZINC000471518243 502052795 /nfs/dbraw/zinc/05/27/95/502052795.db2.gz OMMPHEXRWAEEPV-UHFFFAOYSA-N -1 1 364.427 3.242 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000462488305 502460761 /nfs/dbraw/zinc/46/07/61/502460761.db2.gz HZCJWJVYZGPLLB-TZMCWYRMSA-N -1 1 366.826 3.158 20 5 FGBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1cccs1 ZINC000462492078 502462326 /nfs/dbraw/zinc/46/23/26/502462326.db2.gz FUJVLOJCRODRIA-SNVBAGLBSA-N -1 1 374.871 3.467 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H]1C1CCCCC1 ZINC000462493670 502463215 /nfs/dbraw/zinc/46/32/15/502463215.db2.gz XZPXSMFUMVIROM-AAEUAGOBSA-N -1 1 358.847 3.495 20 5 FGBDMM O=C(NCC1(c2ccc(F)cc2)CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484262753 502610178 /nfs/dbraw/zinc/61/01/78/502610178.db2.gz UPMVUCYDTIRUDF-UHFFFAOYSA-N -1 1 359.357 3.076 20 5 FGBDMM COC(=O)c1c[n-]c(SCc2cc([N+](=O)[O-])ccc2OC(C)C)n1 ZINC000484563595 502670481 /nfs/dbraw/zinc/67/04/81/502670481.db2.gz IJBFLXLHOJKBRA-UHFFFAOYSA-N -1 1 351.384 3.184 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000484739499 502727214 /nfs/dbraw/zinc/72/72/14/502727214.db2.gz SBYZTILDXBUUQY-LBPRGKRZSA-N -1 1 359.357 3.244 20 5 FGBDMM CCc1cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1C ZINC000477278626 502728129 /nfs/dbraw/zinc/72/81/29/502728129.db2.gz OEOTWOGEXUTZSJ-UHFFFAOYSA-N -1 1 350.396 3.275 20 5 FGBDMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000484802263 502743315 /nfs/dbraw/zinc/74/33/15/502743315.db2.gz JJUNHEXVDVPBPP-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000488666651 502777101 /nfs/dbraw/zinc/77/71/01/502777101.db2.gz BXWXVBYUULNNTA-UHFFFAOYSA-N -1 1 358.416 3.052 20 5 FGBDMM CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488730389 502794446 /nfs/dbraw/zinc/79/44/46/502794446.db2.gz VIGTXEUTATWATJ-SNVBAGLBSA-N -1 1 365.249 3.214 20 5 FGBDMM CCCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000507003086 503209679 /nfs/dbraw/zinc/20/96/79/503209679.db2.gz TXCQOAOLNJXGBE-UHFFFAOYSA-N -1 1 350.396 3.493 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)[n-]1 ZINC000547007983 503954314 /nfs/dbraw/zinc/95/43/14/503954314.db2.gz MVRRPKCOYQOLNG-UHFFFAOYSA-N -1 1 355.285 3.358 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000531444880 504309798 /nfs/dbraw/zinc/30/97/98/504309798.db2.gz FYKGHRBJLOKNLN-SECBINFHSA-N -1 1 358.778 3.427 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000542001065 504330751 /nfs/dbraw/zinc/33/07/51/504330751.db2.gz WFPPFRBGYZTMCH-UHFFFAOYSA-N -1 1 366.395 3.191 20 5 FGBDMM CC(C)NC(=O)Nc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000545632481 504548308 /nfs/dbraw/zinc/54/83/08/504548308.db2.gz ZSPBKQVWHQDTBB-UHFFFAOYSA-N -1 1 356.342 3.170 20 5 FGBDMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000557434392 505134048 /nfs/dbraw/zinc/13/40/48/505134048.db2.gz HPPLXGGSZYNCPN-LJQANCHMSA-N -1 1 355.394 3.279 20 5 FGBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)ccc([O-])c1F ZINC000554883699 505289078 /nfs/dbraw/zinc/28/90/78/505289078.db2.gz ZXZQAOGYCDQEBD-UHFFFAOYSA-N -1 1 356.712 3.205 20 5 FGBDMM Cn1c(C(=O)Nc2c([O-])cc(Br)cc2Cl)ccc1[N+](=O)[O-] ZINC000552022710 505372586 /nfs/dbraw/zinc/37/25/86/505372586.db2.gz KIRAZSKYZXENSZ-UHFFFAOYSA-N -1 1 374.578 3.307 20 5 FGBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000588946897 506390835 /nfs/dbraw/zinc/39/08/35/506390835.db2.gz BOVILMBNCIIVQQ-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM Cc1c(Br)c([N-]c2cnn(C)c2C(F)F)ncc1[N+](=O)[O-] ZINC000612451756 506583583 /nfs/dbraw/zinc/58/35/83/506583583.db2.gz HBNHYGKLQJJQFX-UHFFFAOYSA-N -1 1 362.134 3.475 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc([C@@H](C)OC)c2)cc1[N+](=O)[O-] ZINC000608874856 506732034 /nfs/dbraw/zinc/73/20/34/506732034.db2.gz FECWHUYGXJCZMH-LLVKDONJSA-N -1 1 366.395 3.112 20 5 FGBDMM O=C(NC1(c2ccc(C(F)(F)F)cc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593884589 506819635 /nfs/dbraw/zinc/81/96/35/506819635.db2.gz SGGSERDSWNPKFA-UHFFFAOYSA-N -1 1 367.283 3.133 20 5 FGBDMM COc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000600661171 507053046 /nfs/dbraw/zinc/05/30/46/507053046.db2.gz QZFXMJIWZNZXRO-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000610337273 507199959 /nfs/dbraw/zinc/19/99/59/507199959.db2.gz SONGBXCBJGWXBH-UHFFFAOYSA-N -1 1 368.389 3.344 20 5 FGBDMM CCOC(=O)c1ccnc([N-]c2cnn(CC(C)C)c2CC)c1[N+](=O)[O-] ZINC000611133136 507528391 /nfs/dbraw/zinc/52/83/91/507528391.db2.gz SDRFJIIVTXKIAK-UHFFFAOYSA-N -1 1 361.402 3.325 20 5 FGBDMM O=C([O-])C[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000821516085 598151402 /nfs/dbraw/zinc/15/14/02/598151402.db2.gz QTCIVHNCOUUWDN-GFCCVEGCSA-N -1 1 361.423 3.405 20 5 FGBDMM C[C@@H](CN(Cc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000736584990 600685663 /nfs/dbraw/zinc/68/56/63/600685663.db2.gz ZONJCAYBVMRKEN-AWEZNQCLSA-N -1 1 368.393 3.125 20 5 FGBDMM CN(Cc1ccc([N+](=O)[O-])cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830840418 601899213 /nfs/dbraw/zinc/89/92/13/601899213.db2.gz MSWLQOBTCSDBFB-HNNXBMFYSA-N -1 1 354.284 3.270 20 5 FGBDMM O=C([O-])c1cc([N+](=O)[O-])c(N2CCC(c3ccn[nH]3)CC2)cc1Cl ZINC000833306658 604264937 /nfs/dbraw/zinc/26/49/37/604264937.db2.gz BMYRYVHWINWZQK-UHFFFAOYSA-N -1 1 350.762 3.054 20 5 FGBDMM O=[N+]([O-])c1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1Cl ZINC000823644761 606461404 /nfs/dbraw/zinc/46/14/04/606461404.db2.gz MCCDFIWGWWJXMW-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM O=[N+]([O-])c1ccc(Oc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1Cl ZINC000823644761 606461406 /nfs/dbraw/zinc/46/14/06/606461406.db2.gz MCCDFIWGWWJXMW-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM C[C@@H](CC(C)(C)c1ccccc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820227139 606702790 /nfs/dbraw/zinc/70/27/90/606702790.db2.gz YYZAXRRPAJPQAK-LBPRGKRZSA-N -1 1 367.413 3.338 20 5 FGBDMM C[C@@H](CC(C)(C)c1ccccc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820227139 606702792 /nfs/dbraw/zinc/70/27/92/606702792.db2.gz YYZAXRRPAJPQAK-LBPRGKRZSA-N -1 1 367.413 3.338 20 5 FGBDMM CC(C)(C)OCc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819950644 606717697 /nfs/dbraw/zinc/71/76/97/606717697.db2.gz KPWNQUABYZEAMV-UHFFFAOYSA-N -1 1 369.385 3.229 20 5 FGBDMM CC(C)(C)OCc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819950644 606717699 /nfs/dbraw/zinc/71/76/99/606717699.db2.gz KPWNQUABYZEAMV-UHFFFAOYSA-N -1 1 369.385 3.229 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccc2ccccc2c1 ZINC000823630225 607164065 /nfs/dbraw/zinc/16/40/65/607164065.db2.gz SGHJWIPSSABKIK-UHFFFAOYSA-N -1 1 350.363 3.474 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ccc2ccccc2c1 ZINC000823630225 607164066 /nfs/dbraw/zinc/16/40/66/607164066.db2.gz SGHJWIPSSABKIK-UHFFFAOYSA-N -1 1 350.363 3.474 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000007428312 695568957 /nfs/dbraw/zinc/56/89/57/695568957.db2.gz YERUABGCJDGPCR-UHFFFAOYSA-N -1 1 372.786 3.066 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000119838061 700640340 /nfs/dbraw/zinc/64/03/40/700640340.db2.gz VOWSMYPSZPSRKK-LBPRGKRZSA-N -1 1 362.379 3.364 20 5 FGBDMM CCC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000232934871 713579399 /nfs/dbraw/zinc/57/93/99/713579399.db2.gz FURVAGJGNQRPFK-UHFFFAOYSA-N -1 1 365.249 3.072 20 5 FGBDMM C[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000577875109 714470288 /nfs/dbraw/zinc/47/02/88/714470288.db2.gz OAQOZMOMXXAHHW-NSHDSACASA-N -1 1 361.423 3.213 20 5 FGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000780991189 724519792 /nfs/dbraw/zinc/51/97/92/724519792.db2.gz CVXKAIRXWSXMMS-UHFFFAOYSA-N -1 1 350.743 3.211 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C(F)(F)F ZINC000786918330 725007477 /nfs/dbraw/zinc/00/74/77/725007477.db2.gz ZPDZJZVDFMQDMH-JTQLQIEISA-N -1 1 360.741 3.176 20 5 FGBDMM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000727836493 722447979 /nfs/dbraw/zinc/44/79/79/722447979.db2.gz FESJQMJLJQIEOX-CQSZACIVSA-N -1 1 366.414 3.424 20 5 FGBDMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1cc([N+](=O)[O-])ccc1F ZINC000730513300 722468941 /nfs/dbraw/zinc/46/89/41/722468941.db2.gz HTZHIEWKMHZXJY-UHFFFAOYSA-N -1 1 358.354 3.429 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(F)c([C@@H](C)O)c1 ZINC000795378624 723586358 /nfs/dbraw/zinc/58/63/58/723586358.db2.gz AYVFUWCTXAPHOR-LLVKDONJSA-N -1 1 368.386 3.205 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c([C@H](C)O)c1 ZINC000795381504 723586849 /nfs/dbraw/zinc/58/68/49/723586849.db2.gz QNDUDVADBCMEHT-JTQLQIEISA-N -1 1 368.386 3.150 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)cc([N+](=O)[O-])c1F ZINC000795388786 723587588 /nfs/dbraw/zinc/58/75/88/723587588.db2.gz QBTYXCGWMAXUEY-VIFPVBQESA-N -1 1 372.349 3.036 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1OC ZINC000768804695 723667653 /nfs/dbraw/zinc/66/76/53/723667653.db2.gz FZHNLYMDYSUAAQ-LBPRGKRZSA-N -1 1 356.425 3.095 20 5 FGBDMM Cc1[nH]c2ccc(C[N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2c1C ZINC000768809280 723667879 /nfs/dbraw/zinc/66/78/79/723667879.db2.gz HUYDACLHSAOLPL-UHFFFAOYSA-N -1 1 365.436 3.233 20 5 FGBDMM COC(=O)c1cc([N-]C(=O)c2nc(Cl)cs2)c(C)c([N+](=O)[O-])c1 ZINC000788775114 725087103 /nfs/dbraw/zinc/08/71/03/725087103.db2.gz OCCARKUUJTXVGL-UHFFFAOYSA-N -1 1 355.759 3.052 20 5 FGBDMM Cc1cc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1Cl ZINC000812513117 725398832 /nfs/dbraw/zinc/39/88/32/725398832.db2.gz MHSMAQIRTZIABW-UHFFFAOYSA-N -1 1 372.805 3.217 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000815010994 727019042 /nfs/dbraw/zinc/01/90/42/727019042.db2.gz WERLRECNVLTFQW-UHFFFAOYSA-N -1 1 370.789 3.355 20 5 FGBDMM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000828383012 729442938 /nfs/dbraw/zinc/44/29/38/729442938.db2.gz ZMAKGLDNCVNWDX-RCOVLWMOSA-N -1 1 371.267 3.074 20 5 FGBDMM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000828383009 729442976 /nfs/dbraw/zinc/44/29/76/729442976.db2.gz ZMAKGLDNCVNWDX-IMTBSYHQSA-N -1 1 371.267 3.074 20 5 FGBDMM CC(C)SCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831529383 729649197 /nfs/dbraw/zinc/64/91/97/729649197.db2.gz XQGNFBNHMIOFDW-UHFFFAOYSA-N -1 1 373.283 3.322 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000903626979 743864311 /nfs/dbraw/zinc/86/43/11/743864311.db2.gz LDJWPUPCXUWLCI-ZDUSSCGKSA-N -1 1 362.279 3.159 20 5 FGBDMM CCc1noc(C)c1[N-]C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000121099688 494595570 /nfs/dbraw/zinc/59/55/70/494595570.db2.gz BKNZYPFFAIJNOZ-UHFFFAOYSA-N -1 1 371.296 3.316 20 5 FGBDMM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000117376228 494914957 /nfs/dbraw/zinc/91/49/57/494914957.db2.gz UIVJTMXBKXRNQD-ZJUUUORDSA-N -1 1 364.876 3.201 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000119584227 495195714 /nfs/dbraw/zinc/19/57/14/495195714.db2.gz NTYNLAUWRSLMFW-CYBMUJFWSA-N -1 1 370.789 3.353 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000104760050 495303807 /nfs/dbraw/zinc/30/38/07/495303807.db2.gz FNVLRVKSHKOPSK-LLVKDONJSA-N -1 1 355.441 3.098 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000106893464 495507486 /nfs/dbraw/zinc/50/74/86/495507486.db2.gz MOLCDOAIULYRJQ-JTQLQIEISA-N -1 1 369.468 3.388 20 5 FGBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000115495299 495511268 /nfs/dbraw/zinc/51/12/68/495511268.db2.gz SDVLUZYZOONNRZ-UHFFFAOYSA-N -1 1 354.362 3.036 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C)c1O ZINC000175002920 496202718 /nfs/dbraw/zinc/20/27/18/496202718.db2.gz SMBSKQRUHRRLOJ-UHFFFAOYSA-N -1 1 350.396 3.335 20 5 FGBDMM CCOc1cc(F)ccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000156618265 496293928 /nfs/dbraw/zinc/29/39/28/496293928.db2.gz IYURZOVBDCMRTP-UHFFFAOYSA-N -1 1 368.386 3.117 20 5 FGBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000187162717 496321032 /nfs/dbraw/zinc/32/10/32/496321032.db2.gz IVFYGIMULCPMHM-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)ccc1F ZINC000188571852 496836698 /nfs/dbraw/zinc/83/66/98/496836698.db2.gz QYALPWXEZZNIPB-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193737754 497463329 /nfs/dbraw/zinc/46/33/29/497463329.db2.gz RVXKAYHBINIADN-INIZCTEOSA-N -1 1 357.410 3.487 20 5 FGBDMM O=C(Nc1cccc2c1CN(CC(F)(F)F)C2)c1ccc([N+](=O)[O-])[n-]1 ZINC000282756075 498641431 /nfs/dbraw/zinc/64/14/31/498641431.db2.gz ONDZCIXYXONTIB-UHFFFAOYSA-N -1 1 354.288 3.053 20 5 FGBDMM O=C([N-]c1nnc(C2CCOCC2)s1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000294539881 498723268 /nfs/dbraw/zinc/72/32/68/498723268.db2.gz ZTQGODBOSGZRKY-UHFFFAOYSA-N -1 1 368.802 3.246 20 5 FGBDMM Cc1cc(F)ccc1C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000295318108 498978538 /nfs/dbraw/zinc/97/85/38/498978538.db2.gz LSKVCSTWBJDDCT-UHFFFAOYSA-N -1 1 359.357 3.163 20 5 FGBDMM Cc1ccc2nc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)[nH]c2c1 ZINC000427636447 500414470 /nfs/dbraw/zinc/41/44/70/500414470.db2.gz BNOOWQKCJKDRNP-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM COc1cc(/C=C/c2ncc(C(=O)[O-])c(C(C)C)n2)cc([N+](=O)[O-])c1O ZINC000436935197 500573903 /nfs/dbraw/zinc/57/39/03/500573903.db2.gz JLSDFZHVJCTQPA-SNAWJCMRSA-N -1 1 359.338 3.091 20 5 FGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000432962908 500598415 /nfs/dbraw/zinc/59/84/15/500598415.db2.gz YBKDWNAMDMJJEV-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM CCOc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000443399226 500719061 /nfs/dbraw/zinc/71/90/61/500719061.db2.gz LWLYJUCUPSHYCT-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC000444213350 500818862 /nfs/dbraw/zinc/81/88/62/500818862.db2.gz BQEKYNFXAREGPH-STQMWFEESA-N -1 1 372.491 3.085 20 5 FGBDMM O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000444537784 500857042 /nfs/dbraw/zinc/85/70/42/500857042.db2.gz AAKNHFRFNMINQR-UHFFFAOYSA-N -1 1 351.366 3.375 20 5 FGBDMM O=C(N[C@H](c1ccccc1F)C1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445008688 500932283 /nfs/dbraw/zinc/93/22/83/500932283.db2.gz QHQGKOANRGLGOE-INIZCTEOSA-N -1 1 359.357 3.496 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)cc1[N+](=O)[O-] ZINC000436184364 501085421 /nfs/dbraw/zinc/08/54/21/501085421.db2.gz XYFOYPQAGFKXQL-UHFFFAOYSA-N -1 1 361.379 3.194 20 5 FGBDMM COc1ccc(CNC(=O)c2ccc3ccccc3c2[O-])cc1[N+](=O)[O-] ZINC000436823814 501216942 /nfs/dbraw/zinc/21/69/42/501216942.db2.gz DANRPCZJKXAIAE-UHFFFAOYSA-N -1 1 352.346 3.392 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000457268871 501674010 /nfs/dbraw/zinc/67/40/10/501674010.db2.gz FAOAQOSNXFDVRE-INIZCTEOSA-N -1 1 353.378 3.453 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccccc3F)C2)s1 ZINC000481578224 501820860 /nfs/dbraw/zinc/82/08/60/501820860.db2.gz MITFUHQUNCOISN-QWRGUYRKSA-N -1 1 370.427 3.410 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000481959083 501929199 /nfs/dbraw/zinc/92/91/99/501929199.db2.gz QQIIEOCAWRSNFE-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM COc1cc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000484587342 502677741 /nfs/dbraw/zinc/67/77/41/502677741.db2.gz DAALSLRGTYPQNE-UHFFFAOYSA-N -1 1 361.301 3.410 20 5 FGBDMM O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000508708905 503548685 /nfs/dbraw/zinc/54/86/85/503548685.db2.gz GKUMFYBUSNNEMP-INIZCTEOSA-N -1 1 368.349 3.281 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000516943051 503625487 /nfs/dbraw/zinc/62/54/87/503625487.db2.gz QOJYWHMXIUITRY-UHFFFAOYSA-N -1 1 354.359 3.106 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc3ccccc3c2)s1 ZINC000512770068 503628247 /nfs/dbraw/zinc/62/82/47/503628247.db2.gz GGIYWPLJPHNMHY-UHFFFAOYSA-N -1 1 362.432 3.331 20 5 FGBDMM Cc1cc(Cl)cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1[O-] ZINC000530635392 504035060 /nfs/dbraw/zinc/03/50/60/504035060.db2.gz OHJTUOJRLUVABP-UHFFFAOYSA-N -1 1 364.741 3.286 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n[nH]c1-c1ccccc1 ZINC000535514470 504456372 /nfs/dbraw/zinc/45/63/72/504456372.db2.gz XZZAAVKIFHXROR-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c([O-])c1 ZINC000535543843 504466393 /nfs/dbraw/zinc/46/63/93/504466393.db2.gz ZDWOKVWHAJPHTL-UHFFFAOYSA-N -1 1 364.741 3.383 20 5 FGBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000548866435 504598133 /nfs/dbraw/zinc/59/81/33/504598133.db2.gz IMGNLSRKWXGKKM-UHFFFAOYSA-N -1 1 360.741 3.115 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(C3CCCCC3)n2)c1 ZINC000549293666 504784621 /nfs/dbraw/zinc/78/46/21/504784621.db2.gz HGQNITFHROQMGS-UHFFFAOYSA-N -1 1 359.386 3.343 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000565503256 504905552 /nfs/dbraw/zinc/90/55/52/504905552.db2.gz PYCLXBZWUQJLFB-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2CC)cc1 ZINC000567530865 505489738 /nfs/dbraw/zinc/48/97/38/505489738.db2.gz OCUCWRWFMKXMTL-UHFFFAOYSA-N -1 1 350.396 3.357 20 5 FGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](CCc1ccccc1)C(F)F ZINC000599416938 506448519 /nfs/dbraw/zinc/44/85/19/506448519.db2.gz YWRGLBCIPYDIDY-ZDUSSCGKSA-N -1 1 370.377 3.140 20 5 FGBDMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000582993375 506527289 /nfs/dbraw/zinc/52/72/89/506527289.db2.gz QIWSCILKGMPUOA-SSDOTTSWSA-N -1 1 370.337 3.147 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000583319189 506715583 /nfs/dbraw/zinc/71/55/83/506715583.db2.gz FKHQXGFDVCFBOT-GXSJLCMTSA-N -1 1 370.324 3.133 20 5 FGBDMM COc1ccc([O-])c(C(=O)c2cnn(-c3cccc([N+](=O)[O-])c3C)c2)c1 ZINC000609075981 506771679 /nfs/dbraw/zinc/77/16/79/506771679.db2.gz BWINRNKCLTYFSY-UHFFFAOYSA-N -1 1 353.334 3.034 20 5 FGBDMM CO[C@H](C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-])C1CC1 ZINC000593947895 506841680 /nfs/dbraw/zinc/84/16/80/506841680.db2.gz CRHROMVSHVIFKS-SJLPKXTDSA-N -1 1 374.393 3.213 20 5 FGBDMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000604546990 506869761 /nfs/dbraw/zinc/86/97/61/506869761.db2.gz PTPXADJLMNHGAE-UHFFFAOYSA-N -1 1 353.363 3.202 20 5 FGBDMM C[C@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609543507 506915913 /nfs/dbraw/zinc/91/59/13/506915913.db2.gz PBNLRHQYUGCJEJ-BONVTDFDSA-N -1 1 366.826 3.460 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000609673792 506970947 /nfs/dbraw/zinc/97/09/47/506970947.db2.gz SWLQZGCHTDEQFJ-CQSZACIVSA-N -1 1 374.340 3.485 20 5 FGBDMM CCc1ccc(S(=O)(=O)[N-]c2cccc(OC)c2C)cc1[N+](=O)[O-] ZINC000600661621 507052919 /nfs/dbraw/zinc/05/29/19/507052919.db2.gz XJKFVTCMUQJGEN-UHFFFAOYSA-N -1 1 350.396 3.275 20 5 FGBDMM COc1ccc([C@@H]2CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)cc1F ZINC000600674143 507058267 /nfs/dbraw/zinc/05/82/67/507058267.db2.gz JTGWHPMCCIEJEX-CQSZACIVSA-N -1 1 374.368 3.430 20 5 FGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@@H]21 ZINC000600673637 507059126 /nfs/dbraw/zinc/05/91/26/507059126.db2.gz GTKSENQCCUDUJN-IKGGRYGDSA-N -1 1 362.426 3.457 20 5 FGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1[C@@H](C)CC(C(=O)[O-])C[C@@H]1C ZINC000600676517 507060601 /nfs/dbraw/zinc/06/06/01/507060601.db2.gz YUUHXBMRERZXNX-STQMWFEESA-N -1 1 350.415 3.456 20 5 FGBDMM O=C([O-])c1ccccc1OCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000584037120 507115434 /nfs/dbraw/zinc/11/54/34/507115434.db2.gz YFPCOHPDZZWCPM-UHFFFAOYSA-N -1 1 356.378 3.336 20 5 FGBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N1CCc2sccc2C1 ZINC000584369771 507307019 /nfs/dbraw/zinc/30/70/19/507307019.db2.gz OVIDPRCRKAXVHU-LLVKDONJSA-N -1 1 361.423 3.213 20 5 FGBDMM O=C(Nc1c([O-])cccc1F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000610913403 507440705 /nfs/dbraw/zinc/44/07/05/507440705.db2.gz YNKKJDRKWJVSIZ-UHFFFAOYSA-N -1 1 355.119 3.454 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000738664683 600886255 /nfs/dbraw/zinc/88/62/55/600886255.db2.gz LDOCVGUUTLYKRM-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM CC(C)CCOc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820076832 606714566 /nfs/dbraw/zinc/71/45/66/606714566.db2.gz UQORAZQIUBRQST-UHFFFAOYSA-N -1 1 369.385 3.338 20 5 FGBDMM CC(C)CCOc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820076832 606714568 /nfs/dbraw/zinc/71/45/68/606714568.db2.gz UQORAZQIUBRQST-UHFFFAOYSA-N -1 1 369.385 3.338 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Cl)cc1Cl ZINC000823629584 607161888 /nfs/dbraw/zinc/16/18/88/607161888.db2.gz ARIJPVACDJBDLN-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(Cl)cc1Cl ZINC000823629584 607161890 /nfs/dbraw/zinc/16/18/90/607161890.db2.gz ARIJPVACDJBDLN-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM O=[N+]([O-])c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c2ccncc21 ZINC000826499753 607867366 /nfs/dbraw/zinc/86/73/66/607867366.db2.gz VRZFDRDZHPGXKN-UHFFFAOYSA-N -1 1 352.285 3.255 20 5 FGBDMM O=[N+]([O-])c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)c2ccncc21 ZINC000826499753 607867367 /nfs/dbraw/zinc/86/73/67/607867367.db2.gz VRZFDRDZHPGXKN-UHFFFAOYSA-N -1 1 352.285 3.255 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000826293208 609467262 /nfs/dbraw/zinc/46/72/62/609467262.db2.gz FYOAQMBYLACCEA-SECBINFHSA-N -1 1 359.367 3.063 20 5 FGBDMM CCCCCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038104904 695756043 /nfs/dbraw/zinc/75/60/43/695756043.db2.gz TUELYRPIZOAULR-UHFFFAOYSA-N -1 1 365.249 3.216 20 5 FGBDMM CC(C)n1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[n-]c1=S ZINC000097570422 700463114 /nfs/dbraw/zinc/46/31/14/700463114.db2.gz FWQADPBTWWVULE-UHFFFAOYSA-N -1 1 369.834 3.056 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000119797449 700638858 /nfs/dbraw/zinc/63/88/58/700638858.db2.gz DUVNIQJXILSTQJ-LBPRGKRZSA-N -1 1 362.379 3.364 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccccc2)CCC1 ZINC000194341890 713519056 /nfs/dbraw/zinc/51/90/56/713519056.db2.gz SQVQSJGBKYIKLI-UHFFFAOYSA-N -1 1 350.371 3.092 20 5 FGBDMM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000780502365 724472891 /nfs/dbraw/zinc/47/28/91/724472891.db2.gz UATNBBSDWWUWNN-MRVPVSSYSA-N -1 1 360.757 3.321 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000725825565 722423711 /nfs/dbraw/zinc/42/37/11/722423711.db2.gz AXSLKLGGXMKOLL-ZDUSSCGKSA-N -1 1 370.789 3.353 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000729487418 722460008 /nfs/dbraw/zinc/46/00/08/722460008.db2.gz VMMMFTQNCZSHCM-UHFFFAOYSA-N -1 1 370.789 3.355 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC000730268342 722466574 /nfs/dbraw/zinc/46/65/74/722466574.db2.gz SLWNESFZVBUFKT-ZDUSSCGKSA-N -1 1 370.789 3.353 20 5 FGBDMM CC(C)(C)[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742281887 722554420 /nfs/dbraw/zinc/55/44/20/722554420.db2.gz STCWUTGIQNZWPT-OLZOCXBDSA-N -1 1 355.460 3.121 20 5 FGBDMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000750181884 722757622 /nfs/dbraw/zinc/75/76/22/722757622.db2.gz VZBPVLIDRYEEAP-UHFFFAOYSA-N -1 1 357.757 3.140 20 5 FGBDMM Cc1ccc(C(C)(C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000759125515 722999859 /nfs/dbraw/zinc/99/98/59/722999859.db2.gz MXNOBXVSJACFIJ-UHFFFAOYSA-N -1 1 369.830 3.165 20 5 FGBDMM CSCc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000796181437 723625192 /nfs/dbraw/zinc/62/51/92/723625192.db2.gz LGLOWBNBVLKMST-UHFFFAOYSA-N -1 1 370.427 3.075 20 5 FGBDMM Cc1cc2cc(C[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])ccc2[nH]1 ZINC000796241792 723628154 /nfs/dbraw/zinc/62/81/54/723628154.db2.gz IRFFILXYTRVHMM-UHFFFAOYSA-N -1 1 363.370 3.002 20 5 FGBDMM CC(C)Oc1ccccc1[C@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768806501 723667786 /nfs/dbraw/zinc/66/77/86/723667786.db2.gz AGKPTNGLJDGAKF-NSHDSACASA-N -1 1 370.452 3.483 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)c(C)c1 ZINC000768868344 723670299 /nfs/dbraw/zinc/67/02/99/723670299.db2.gz LZXWIALMMFXCMH-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800933957 724250911 /nfs/dbraw/zinc/25/09/11/724250911.db2.gz VMOKNIYHVYCXQK-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM O=C(Nc1nc(Cl)ccc1[O-])c1cccc([N+](=O)[O-])c1Br ZINC000807368330 725160091 /nfs/dbraw/zinc/16/00/91/725160091.db2.gz LZTLPJNUPWTGCS-UHFFFAOYSA-N -1 1 372.562 3.364 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]nc1C1CC1 ZINC000829709158 729505403 /nfs/dbraw/zinc/50/54/03/729505403.db2.gz ZKMUQAOABVZCGI-UHFFFAOYSA-N -1 1 374.781 3.097 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCc2c(F)cccc21 ZINC000831675279 729660383 /nfs/dbraw/zinc/66/03/83/729660383.db2.gz ZKQSMWWJUUXWMX-AWEZNQCLSA-N -1 1 368.361 3.229 20 5 FGBDMM Cc1c(C(=O)[N-]c2nnc(CC(C)C)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000033524847 494061136 /nfs/dbraw/zinc/06/11/36/494061136.db2.gz XXRVPWDRFOVMAA-UHFFFAOYSA-N -1 1 365.371 3.114 20 5 FGBDMM CC(C)c1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064242929 494108196 /nfs/dbraw/zinc/10/81/96/494108196.db2.gz LQWMWQHBVZTRIC-UHFFFAOYSA-N -1 1 354.453 3.301 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3c(F)cccc32)s1 ZINC000064245184 494109012 /nfs/dbraw/zinc/10/90/12/494109012.db2.gz LQULDEGCQUKXKK-SNVBAGLBSA-N -1 1 374.440 3.311 20 5 FGBDMM Cc1ccc(NC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1[N+](=O)[O-] ZINC000085545520 494130563 /nfs/dbraw/zinc/13/05/63/494130563.db2.gz DHOLPDVQKARRMA-UHFFFAOYSA-N -1 1 350.404 3.060 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000016149078 494379694 /nfs/dbraw/zinc/37/96/94/494379694.db2.gz SYICKICFZVKKNI-UHFFFAOYSA-N -1 1 358.322 3.305 20 5 FGBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1n[n-]c(=S)n1C(C)C ZINC000094126045 494952394 /nfs/dbraw/zinc/95/23/94/494952394.db2.gz AHJQFSZQBOPNSA-UHFFFAOYSA-N -1 1 363.443 3.285 20 5 FGBDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C2CC2)n1 ZINC000124664776 495324087 /nfs/dbraw/zinc/32/40/87/495324087.db2.gz RKICIDJNBYGTDN-LBPRGKRZSA-N -1 1 373.481 3.159 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1F ZINC000180159549 495884977 /nfs/dbraw/zinc/88/49/77/495884977.db2.gz QJRAFWXGDXLUOQ-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(OCCF)c1 ZINC000161186631 496122379 /nfs/dbraw/zinc/12/23/79/496122379.db2.gz LRFBHFOCPOHHPH-UHFFFAOYSA-N -1 1 354.359 3.052 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000187009496 496249818 /nfs/dbraw/zinc/24/98/18/496249818.db2.gz OMGQKHVHKDQCRI-CYBMUJFWSA-N -1 1 361.785 3.196 20 5 FGBDMM O=C(c1cc(F)ccc1[O-])N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000175258939 496311253 /nfs/dbraw/zinc/31/12/53/496311253.db2.gz WNQDDQIAIFDLHY-UHFFFAOYSA-N -1 1 360.341 3.123 20 5 FGBDMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175273809 496318478 /nfs/dbraw/zinc/31/84/78/496318478.db2.gz RDAZFLJKKZDCCV-PWSUYJOCSA-N -1 1 364.876 3.201 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C)c1 ZINC000191795644 496891490 /nfs/dbraw/zinc/89/14/90/496891490.db2.gz SBYLTVFTWZQMFF-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@](F)(c2ccccc2Cl)C1 ZINC000367306685 499177477 /nfs/dbraw/zinc/17/74/77/499177477.db2.gz ZORYOUCIYTWNES-MRXNPFEDSA-N -1 1 365.748 3.060 20 5 FGBDMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000392392081 499558895 /nfs/dbraw/zinc/55/88/95/499558895.db2.gz CVLQVXNFUXPVLM-UHFFFAOYSA-N -1 1 370.408 3.081 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc(OC)c1C ZINC000431172512 500345455 /nfs/dbraw/zinc/34/54/55/500345455.db2.gz KFSNGSBRRIEMLJ-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000432183325 500481376 /nfs/dbraw/zinc/48/13/76/500481376.db2.gz XIFMKNNAKPGUKL-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM COc1cc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)cc([N+](=O)[O-])c1O ZINC000439267371 500877537 /nfs/dbraw/zinc/87/75/37/500877537.db2.gz DHWYXNKGBNFPQV-GORDUTHDSA-N -1 1 356.290 3.319 20 5 FGBDMM COc1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)cc([N+](=O)[O-])c1O ZINC000439266367 500877977 /nfs/dbraw/zinc/87/79/77/500877977.db2.gz AUZZDQOAALPIST-GORDUTHDSA-N -1 1 356.290 3.319 20 5 FGBDMM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444959941 500925735 /nfs/dbraw/zinc/92/57/35/500925735.db2.gz SMKHDDUNMPMTAN-WBVHZDCISA-N -1 1 371.393 3.124 20 5 FGBDMM O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445476336 500992584 /nfs/dbraw/zinc/99/25/84/500992584.db2.gz BHPDBJKOKHTDAP-UHFFFAOYSA-N -1 1 354.297 3.493 20 5 FGBDMM Cc1cc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)ccc1[N+](=O)[O-] ZINC000436913951 501231791 /nfs/dbraw/zinc/23/17/91/501231791.db2.gz HYSKPDNXJNCZRA-UHFFFAOYSA-N -1 1 373.756 3.300 20 5 FGBDMM Cc1cc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)ccc1[N+](=O)[O-] ZINC000436913951 501231793 /nfs/dbraw/zinc/23/17/93/501231793.db2.gz HYSKPDNXJNCZRA-UHFFFAOYSA-N -1 1 373.756 3.300 20 5 FGBDMM O=C(NCC1(c2cccs2)CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485413854 501814522 /nfs/dbraw/zinc/81/45/22/501814522.db2.gz YPLPZKLFRDKDJC-UHFFFAOYSA-N -1 1 361.423 3.389 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000474421657 501830324 /nfs/dbraw/zinc/83/03/24/501830324.db2.gz OGCMINAWERUQQP-UHFFFAOYSA-N -1 1 364.427 3.339 20 5 FGBDMM CNc1c(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000463120724 502700622 /nfs/dbraw/zinc/70/06/22/502700622.db2.gz XISVVMPSMPVDMF-UHFFFAOYSA-N -1 1 357.395 3.071 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1[N+](=O)[O-] ZINC000470439815 502775417 /nfs/dbraw/zinc/77/54/17/502775417.db2.gz ZINOXLLEASFUKF-UHFFFAOYSA-N -1 1 354.359 3.052 20 5 FGBDMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1F ZINC000507597598 503329625 /nfs/dbraw/zinc/32/96/25/503329625.db2.gz FGIKGOAZLMCOEV-UHFFFAOYSA-N -1 1 352.343 3.046 20 5 FGBDMM COc1cccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000516787744 503587795 /nfs/dbraw/zinc/58/77/95/503587795.db2.gz FBNGLAUDWLREMM-JTQLQIEISA-N -1 1 370.814 3.296 20 5 FGBDMM CS[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000543166206 503655139 /nfs/dbraw/zinc/65/51/39/503655139.db2.gz GSLXNWAOAAPPCH-NSHDSACASA-N -1 1 366.892 3.304 20 5 FGBDMM CCc1nc(SCCOc2ccc(OC)cc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000518218422 503929196 /nfs/dbraw/zinc/92/91/96/503929196.db2.gz JNQQNKGWINAOKH-UHFFFAOYSA-N -1 1 365.411 3.141 20 5 FGBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1-c1ccccc1 ZINC000533946180 503998325 /nfs/dbraw/zinc/99/83/25/503998325.db2.gz DQABEEWJEZHKGD-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM CCOc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000518731317 504050554 /nfs/dbraw/zinc/05/05/54/504050554.db2.gz IDOOMTRBNUTVME-UHFFFAOYSA-N -1 1 370.814 3.125 20 5 FGBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1[O-] ZINC000518867901 504082568 /nfs/dbraw/zinc/08/25/68/504082568.db2.gz AWTQLOYULVFQCM-UHFFFAOYSA-N -1 1 352.346 3.262 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(CCc3ccc(OC(F)F)cc3)no2)[n-]1 ZINC000545033794 504336619 /nfs/dbraw/zinc/33/66/19/504336619.db2.gz IGFLXBPBXLGOIG-UHFFFAOYSA-N -1 1 350.281 3.360 20 5 FGBDMM CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)c1 ZINC000545696463 504565829 /nfs/dbraw/zinc/56/58/29/504565829.db2.gz REFTWPPJWYIVMV-UHFFFAOYSA-N -1 1 354.322 3.284 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)c(OC)c(C)c2)cc1[N+](=O)[O-] ZINC000542929952 504662855 /nfs/dbraw/zinc/66/28/55/504662855.db2.gz JSPWIYVEORWQPR-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1 ZINC000549240282 504735367 /nfs/dbraw/zinc/73/53/67/504735367.db2.gz WDHOGFGGWJUPDM-UHFFFAOYSA-N -1 1 358.379 3.119 20 5 FGBDMM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000556077374 504791558 /nfs/dbraw/zinc/79/15/58/504791558.db2.gz WPQHCIBJNRFSNA-UHFFFAOYSA-N -1 1 361.423 3.304 20 5 FGBDMM O=C([N-]c1nnc(C2CC2)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000554355906 505152797 /nfs/dbraw/zinc/15/27/97/505152797.db2.gz CASMWPVASVSSCA-UHFFFAOYSA-N -1 1 356.310 3.177 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3sc(Cl)cc32)s1 ZINC000567201690 505393472 /nfs/dbraw/zinc/39/34/72/505393472.db2.gz HQYBVPCDXNSXHA-ZETCQYMHSA-N -1 1 364.857 3.337 20 5 FGBDMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000604310506 506782114 /nfs/dbraw/zinc/78/21/14/506782114.db2.gz UJFSRJBUZQANTQ-UHFFFAOYSA-N -1 1 363.333 3.233 20 5 FGBDMM Cc1cc(C)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1O ZINC000612997856 506857768 /nfs/dbraw/zinc/85/77/68/506857768.db2.gz AIAXKSSGIDLTNK-UHFFFAOYSA-N -1 1 350.396 3.335 20 5 FGBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000590565872 506861457 /nfs/dbraw/zinc/86/14/57/506861457.db2.gz RRGCQYAORUUMEH-QWRGUYRKSA-N -1 1 373.413 3.067 20 5 FGBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(Cl)c1Cl ZINC000609806350 507009208 /nfs/dbraw/zinc/00/92/08/507009208.db2.gz KKHOLQZNLGPFBO-SSDOTTSWSA-N -1 1 356.165 3.493 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC2(CCCC2)O1 ZINC000594492556 507152134 /nfs/dbraw/zinc/15/21/34/507152134.db2.gz XRVROHUZNVOJST-LLVKDONJSA-N -1 1 374.846 3.018 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)s1 ZINC000610266868 507166611 /nfs/dbraw/zinc/16/66/11/507166611.db2.gz MOCGOMATTMHTAH-CYBMUJFWSA-N -1 1 352.437 3.476 20 5 FGBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000591328563 507204358 /nfs/dbraw/zinc/20/43/58/507204358.db2.gz ILINVWFGFBVQHN-JTQLQIEISA-N -1 1 374.287 3.080 20 5 FGBDMM O=c1[n-]nc([C@@H]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)o1 ZINC000585701985 507598761 /nfs/dbraw/zinc/59/87/61/507598761.db2.gz QFLOZULOELIRHQ-MRVPVSSYSA-N -1 1 358.276 3.086 20 5 FGBDMM CN(Cc1cccc([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830852870 601903261 /nfs/dbraw/zinc/90/32/61/601903261.db2.gz VVMDZWYBDKQHJM-HNNXBMFYSA-N -1 1 354.284 3.270 20 5 FGBDMM COc1ccc(CN2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])cc1[N+](=O)[O-] ZINC000739906169 601927145 /nfs/dbraw/zinc/92/71/45/601927145.db2.gz LFMQPUGJXFSVTQ-CABCVRRESA-N -1 1 363.414 3.100 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(OC2CCCC2)c1 ZINC000823625484 607168635 /nfs/dbraw/zinc/16/86/35/607168635.db2.gz WLVOHQSUYZWCBU-UHFFFAOYSA-N -1 1 367.369 3.235 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(OC2CCCC2)c1 ZINC000823625484 607168637 /nfs/dbraw/zinc/16/86/37/607168637.db2.gz WLVOHQSUYZWCBU-UHFFFAOYSA-N -1 1 367.369 3.235 20 5 FGBDMM O=[N+]([O-])c1cnc(Oc2ccc(-c3ccccc3)nc2)c(-c2nnn[n-]2)c1 ZINC000826500912 608797725 /nfs/dbraw/zinc/79/77/25/608797725.db2.gz RFXUWPRCZXAEOL-UHFFFAOYSA-N -1 1 361.321 3.024 20 5 FGBDMM O=[N+]([O-])c1cnc(Oc2ccc(-c3ccccc3)nc2)c(-c2nn[n-]n2)c1 ZINC000826500912 608797727 /nfs/dbraw/zinc/79/77/27/608797727.db2.gz RFXUWPRCZXAEOL-UHFFFAOYSA-N -1 1 361.321 3.024 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC000112203681 700555826 /nfs/dbraw/zinc/55/58/26/700555826.db2.gz HLXQBVWIXOZADW-UHFFFAOYSA-N -1 1 370.789 3.355 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cc(F)ccc1F ZINC000122310691 700687711 /nfs/dbraw/zinc/68/77/11/700687711.db2.gz HWAPQHBYCXBXGQ-CYBMUJFWSA-N -1 1 374.340 3.442 20 5 FGBDMM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000176896163 705595802 /nfs/dbraw/zinc/59/58/02/705595802.db2.gz RXLGYHFQAHELBU-QWRGUYRKSA-N -1 1 362.448 3.077 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000194334328 713518821 /nfs/dbraw/zinc/51/88/21/713518821.db2.gz VICJLVSSBFWEFW-QMMMGPOBSA-N -1 1 360.313 3.052 20 5 FGBDMM CCOc1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000526934658 714413296 /nfs/dbraw/zinc/41/32/96/714413296.db2.gz DHTIOELDQKRNSJ-UHFFFAOYSA-N -1 1 364.785 3.325 20 5 FGBDMM Cc1sc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)c1C ZINC000780071135 724445180 /nfs/dbraw/zinc/44/51/80/724445180.db2.gz DEMQHZZJJHWKQR-UHFFFAOYSA-N -1 1 364.379 3.083 20 5 FGBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c1[O-] ZINC000804900397 724561972 /nfs/dbraw/zinc/56/19/72/724561972.db2.gz STHDJIUMUFEPQE-UHFFFAOYSA-N -1 1 368.704 3.132 20 5 FGBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000725826357 722423948 /nfs/dbraw/zinc/42/39/48/722423948.db2.gz DKAGAQORAZDLKW-SNVBAGLBSA-N -1 1 372.805 3.469 20 5 FGBDMM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000727836491 722447926 /nfs/dbraw/zinc/44/79/26/722447926.db2.gz FESJQMJLJQIEOX-AWEZNQCLSA-N -1 1 366.414 3.424 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000734155975 722504816 /nfs/dbraw/zinc/50/48/16/722504816.db2.gz INLVKAYGYXSTBX-JTQLQIEISA-N -1 1 363.420 3.244 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)c1F ZINC000790851996 723185365 /nfs/dbraw/zinc/18/53/65/723185365.db2.gz XTZWPBLBNNDWDE-UHFFFAOYSA-N -1 1 364.280 3.251 20 5 FGBDMM COc1cc(COC(=O)c2c([O-])cc(F)cc2F)c([N+](=O)[O-])cc1F ZINC000766194224 723560357 /nfs/dbraw/zinc/56/03/57/723560357.db2.gz AIYWOSQYVJGIPU-UHFFFAOYSA-N -1 1 357.240 3.083 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)c1 ZINC000795379741 723586724 /nfs/dbraw/zinc/58/67/24/723586724.db2.gz IVOUORBHEZRCPX-NSHDSACASA-N -1 1 368.386 3.205 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)c1C ZINC000776092084 724109125 /nfs/dbraw/zinc/10/91/25/724109125.db2.gz JFDFNLRXFOPMJL-UHFFFAOYSA-N -1 1 361.423 3.005 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)cnc1Cl ZINC000800052485 724136995 /nfs/dbraw/zinc/13/69/95/724136995.db2.gz YSYIVMVSBCFRMI-UHFFFAOYSA-N -1 1 359.766 3.200 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000800179815 724161529 /nfs/dbraw/zinc/16/15/29/724161529.db2.gz SZDONKDAFOKRSQ-UHFFFAOYSA-N -1 1 368.789 3.352 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CCC1 ZINC000809827829 725271431 /nfs/dbraw/zinc/27/14/31/725271431.db2.gz FVXXUGRFTUEDQJ-SSDOTTSWSA-N -1 1 353.227 3.369 20 5 FGBDMM Cc1ccc([C@@H](C)OC(=O)c2sccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822231094 729155748 /nfs/dbraw/zinc/15/57/48/729155748.db2.gz ZMQUTSBWBLKINP-SECBINFHSA-N -1 1 359.367 3.063 20 5 FGBDMM CC[C@H](CSC)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831033328 729612061 /nfs/dbraw/zinc/61/20/61/729612061.db2.gz SPEAVBJXSXFVDK-SSDOTTSWSA-N -1 1 373.283 3.322 20 5 FGBDMM O=C([N-]CC1(C(F)(F)F)CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848590848 731186094 /nfs/dbraw/zinc/18/60/94/731186094.db2.gz WPUFUYKSQSQYJU-UHFFFAOYSA-N -1 1 354.231 3.025 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)c(C)c1[N+](=O)[O-] ZINC000857226060 732113743 /nfs/dbraw/zinc/11/37/43/732113743.db2.gz ZHYIJGDNWTUROJ-LLVKDONJSA-N -1 1 368.386 3.205 20 5 FGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000903123446 743809776 /nfs/dbraw/zinc/80/97/76/743809776.db2.gz OJMXMWAXJBTSAR-LLVKDONJSA-N -1 1 371.217 3.368 20 5 FGBDMM C[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000903703073 743877555 /nfs/dbraw/zinc/87/75/55/743877555.db2.gz QQRWGUTVTMGHAB-NOZJJQNGSA-N -1 1 357.204 3.042 20 5 FGBDMM O=C([O-])C1(C(F)(F)F)CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000905740721 744050565 /nfs/dbraw/zinc/05/05/65/744050565.db2.gz YXBORFWQYUQXCM-HWKANZROSA-N -1 1 358.316 3.337 20 5 FGBDMM C[C@H]1CCCN1C(=O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000546560216 503788347 /nfs/dbraw/zinc/78/83/47/503788347.db2.gz JXWZXHQFAHACAB-NSHDSACASA-N -1 1 367.365 3.264 20 5 FGBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1[O-] ZINC000009916711 494136529 /nfs/dbraw/zinc/13/65/29/494136529.db2.gz XVAXMUCQMFLXMK-UHFFFAOYSA-N -1 1 351.362 3.296 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000091054454 494520216 /nfs/dbraw/zinc/52/02/16/494520216.db2.gz ZWCUXJRIPCKKDM-NSHDSACASA-N -1 1 362.407 3.336 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc(C(C)(C)C)cs1 ZINC000106893466 495507545 /nfs/dbraw/zinc/50/75/45/495507545.db2.gz MOLCDOAIULYRJQ-SNVBAGLBSA-N -1 1 369.468 3.388 20 5 FGBDMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C2CC2)s1 ZINC000173485643 495552905 /nfs/dbraw/zinc/55/29/05/495552905.db2.gz JAUUYJAQAQWZDS-ZDUSSCGKSA-N -1 1 367.452 3.098 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000179376312 495567075 /nfs/dbraw/zinc/56/70/75/495567075.db2.gz OHHOUEDTOPHISW-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM CSc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000147006928 495571860 /nfs/dbraw/zinc/57/18/60/495571860.db2.gz AYIUGIJAQMCBHB-UHFFFAOYSA-N -1 1 372.855 3.449 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC000185950453 495795144 /nfs/dbraw/zinc/79/51/44/495795144.db2.gz RKLWVYSTFNWWLR-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000151565793 495879781 /nfs/dbraw/zinc/87/97/81/495879781.db2.gz HJDDEYAUPSRWLN-LBPRGKRZSA-N -1 1 373.390 3.289 20 5 FGBDMM COC(=O)c1cc(NC(=O)c2c[nH]nc2-c2ccsc2)cc([N+](=O)[O-])c1 ZINC000187111342 496298164 /nfs/dbraw/zinc/29/81/64/496298164.db2.gz WXCHCBCMZDKXFN-UHFFFAOYSA-N -1 1 372.362 3.085 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(-n2ccnc2)c1 ZINC000178420273 496450192 /nfs/dbraw/zinc/45/01/92/496450192.db2.gz GNNWUKFRPMHZGM-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc([N+](=O)[O-])ccc3[O-])[nH]c2c1 ZINC000181941898 496606792 /nfs/dbraw/zinc/60/67/92/496606792.db2.gz LFJNWBMLGYAQFX-INIZCTEOSA-N -1 1 366.377 3.462 20 5 FGBDMM Cc1sc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000269048883 496858467 /nfs/dbraw/zinc/85/84/67/496858467.db2.gz ZPKGOFWIQUKJNA-UHFFFAOYSA-N -1 1 352.319 3.173 20 5 FGBDMM CCOc1cc([N-]C(=O)c2ccnc(F)c2F)c([N+](=O)[O-])cc1OCC ZINC000193481425 497392443 /nfs/dbraw/zinc/39/24/43/497392443.db2.gz OOPGMVIKDBIHIT-UHFFFAOYSA-N -1 1 367.308 3.318 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000194726627 497750703 /nfs/dbraw/zinc/75/07/03/497750703.db2.gz PDOAZVFRMRVRMY-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM CN(CC1CC1)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301081825 497944247 /nfs/dbraw/zinc/94/42/47/497944247.db2.gz KGHWVHGTVCEZCJ-UHFFFAOYSA-N -1 1 361.423 3.242 20 5 FGBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(OC(F)(F)F)cc1 ZINC000302952884 498632391 /nfs/dbraw/zinc/63/23/91/498632391.db2.gz NALPLKAXSVIHIT-MRVPVSSYSA-N -1 1 371.271 3.085 20 5 FGBDMM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000295683760 499080005 /nfs/dbraw/zinc/08/00/05/499080005.db2.gz VTXAJKKZQVOIHB-UHFFFAOYSA-N -1 1 368.802 3.246 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417618126 500126910 /nfs/dbraw/zinc/12/69/10/500126910.db2.gz CPMBPCKESLEDSU-SJORKVTESA-N -1 1 356.378 3.396 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1C ZINC000431164565 500343811 /nfs/dbraw/zinc/34/38/11/500343811.db2.gz XVZKEGCKMBGJMQ-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(/C=C\c2ccco2)s1 ZINC000427377317 500386876 /nfs/dbraw/zinc/38/68/76/500386876.db2.gz XPXQHBGTORHUTE-ALCCZGGFSA-N -1 1 372.362 3.471 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000427384853 500387865 /nfs/dbraw/zinc/38/78/65/500387865.db2.gz PYTQTOZQODUVRJ-UHFFFAOYSA-N -1 1 362.392 3.436 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c1C ZINC000431614563 500398117 /nfs/dbraw/zinc/39/81/17/500398117.db2.gz PMBIAIGQIMLGRJ-CQSZACIVSA-N -1 1 370.377 3.496 20 5 FGBDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cc(F)cc([N+](=O)[O-])c3)[nH][n-]2)c1 ZINC000444805182 500903396 /nfs/dbraw/zinc/90/33/96/500903396.db2.gz JMLPNSKUDBTSKU-UHFFFAOYSA-N -1 1 358.304 3.246 20 5 FGBDMM CC(C)(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000445003644 500931394 /nfs/dbraw/zinc/93/13/94/500931394.db2.gz AXNUZGJEIUHSSK-CQSZACIVSA-N -1 1 365.336 3.491 20 5 FGBDMM O=C(N[C@H]1CC=C(c2ccc(F)cc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445149466 500949336 /nfs/dbraw/zinc/94/93/36/500949336.db2.gz LAOCNNSXKSQLEB-HNNXBMFYSA-N -1 1 357.341 3.200 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000435596798 500998549 /nfs/dbraw/zinc/99/85/49/500998549.db2.gz GYZYBZYTJDKHQH-JOCQHMNTSA-N -1 1 366.826 3.473 20 5 FGBDMM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1c([O-])cccc1F ZINC000436814945 501215669 /nfs/dbraw/zinc/21/56/69/501215669.db2.gz JCOCXWDJIISLCZ-UHFFFAOYSA-N -1 1 358.247 3.388 20 5 FGBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000485177280 501748012 /nfs/dbraw/zinc/74/80/12/501748012.db2.gz ZGKINSVTXQJKQF-UHFFFAOYSA-N -1 1 369.786 3.007 20 5 FGBDMM CCCc1nc(C)c([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000486107020 502048282 /nfs/dbraw/zinc/04/82/82/502048282.db2.gz HEHNMBSFAFJZPJ-UHFFFAOYSA-N -1 1 369.468 3.297 20 5 FGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1[N+](=O)[O-] ZINC000479123192 502170121 /nfs/dbraw/zinc/17/01/21/502170121.db2.gz FUYNMTNULMNKFB-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000479131321 502172060 /nfs/dbraw/zinc/17/20/60/502172060.db2.gz GKYDHMKFBJLSBU-UHFFFAOYSA-N -1 1 366.443 3.324 20 5 FGBDMM CC(=O)Nc1sc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc1-c1ccccc1 ZINC000479342385 502230350 /nfs/dbraw/zinc/23/03/50/502230350.db2.gz ASVLSKRGQVKUGI-UHFFFAOYSA-N -1 1 371.378 3.257 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(CCC(C)C)n[nH]1 ZINC000468978361 502250327 /nfs/dbraw/zinc/25/03/27/502250327.db2.gz NUMMPUOHGQIUDL-UHFFFAOYSA-N -1 1 352.416 3.016 20 5 FGBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCCCC2 ZINC000487124351 502366844 /nfs/dbraw/zinc/36/68/44/502366844.db2.gz XBARJSMNGXUSGK-NWDGAFQWSA-N -1 1 374.484 3.063 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1 ZINC000462488303 502460260 /nfs/dbraw/zinc/46/02/60/502460260.db2.gz HZCJWJVYZGPLLB-OCCSQVGLSA-N -1 1 366.826 3.158 20 5 FGBDMM Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000462723106 502549445 /nfs/dbraw/zinc/54/94/45/502549445.db2.gz SFEZPRKGSKKINZ-LBPRGKRZSA-N -1 1 354.453 3.183 20 5 FGBDMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488948671 502845060 /nfs/dbraw/zinc/84/50/60/502845060.db2.gz UIXDHERMSNOFAK-RKDXNWHRSA-N -1 1 365.249 3.070 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000497950521 503072968 /nfs/dbraw/zinc/07/29/68/503072968.db2.gz PUPJIHSJUUMFBV-UHFFFAOYSA-N -1 1 362.407 3.493 20 5 FGBDMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000507634415 503336074 /nfs/dbraw/zinc/33/60/74/503336074.db2.gz IUNCNCWGZYHYNU-UHFFFAOYSA-N -1 1 352.343 3.046 20 5 FGBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000512770285 503627762 /nfs/dbraw/zinc/62/77/62/503627762.db2.gz IZRGZAANMCXPER-CYBMUJFWSA-N -1 1 354.453 3.374 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c(C)c1 ZINC000541801368 504259849 /nfs/dbraw/zinc/25/98/49/504259849.db2.gz OBFSEDAZJMCURO-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C)cc1[N+](=O)[O-] ZINC000542003356 504331883 /nfs/dbraw/zinc/33/18/83/504331883.db2.gz OHJXUBRZKUAUHD-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000520769057 504577181 /nfs/dbraw/zinc/57/71/81/504577181.db2.gz YDCXWMLPEIEBDH-UHFFFAOYSA-N -1 1 372.406 3.348 20 5 FGBDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)cc(Cl)c2O1 ZINC000542929705 504662584 /nfs/dbraw/zinc/66/25/84/504662584.db2.gz GRVGSXLAPDLOLK-SECBINFHSA-N -1 1 368.798 3.372 20 5 FGBDMM COc1cc(CN=c2[n-]nc(-c3ccc(C)cc3C)o2)cc([N+](=O)[O-])c1O ZINC000556265670 504831749 /nfs/dbraw/zinc/83/17/49/504831749.db2.gz CLTGASWYKANOGC-UHFFFAOYSA-N -1 1 370.365 3.010 20 5 FGBDMM O=C(Nc1ccccc1NC(=O)c1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604098346 506714219 /nfs/dbraw/zinc/71/42/19/506714219.db2.gz XKUVUBZEOWJVDF-UHFFFAOYSA-N -1 1 350.334 3.428 20 5 FGBDMM Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000608904137 506741361 /nfs/dbraw/zinc/74/13/61/506741361.db2.gz PXIQBDKSNJEOHR-UHFFFAOYSA-N -1 1 355.379 3.425 20 5 FGBDMM O=C(Nc1ccnn1[C@@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000608962135 506752356 /nfs/dbraw/zinc/75/23/56/506752356.db2.gz XEQBDPRDDLPYBX-OAHLLOKOSA-N -1 1 351.366 3.297 20 5 FGBDMM CC(C)(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n(-c2ccccn2)n1 ZINC000609190431 506806499 /nfs/dbraw/zinc/80/64/99/506806499.db2.gz TVFYALGGDDUGST-UHFFFAOYSA-N -1 1 354.370 3.053 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000609240833 506823372 /nfs/dbraw/zinc/82/33/72/506823372.db2.gz UDXRBFCCPWSWBY-UHFFFAOYSA-N -1 1 358.379 3.038 20 5 FGBDMM C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1C(=O)[O-] ZINC000600798997 507127464 /nfs/dbraw/zinc/12/74/64/507127464.db2.gz CTBGXGBSQYNNCR-IAQYHMDHSA-N -1 1 361.423 3.261 20 5 FGBDMM C[C@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262047 507165606 /nfs/dbraw/zinc/16/56/06/507165606.db2.gz UFNBYMMHKWZUGS-CYBMUJFWSA-N -1 1 363.439 3.025 20 5 FGBDMM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c([O-])cccc1F ZINC000610339640 507201051 /nfs/dbraw/zinc/20/10/51/507201051.db2.gz BITKAPRXORFTCP-MRVPVSSYSA-N -1 1 354.721 3.499 20 5 FGBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])c1[O-] ZINC000588099835 507762640 /nfs/dbraw/zinc/76/26/40/507762640.db2.gz CQPJHMRORFWPKF-UHFFFAOYSA-N -1 1 364.741 3.301 20 5 FGBDMM COc1cccc(F)c1[C@@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826216519 607567267 /nfs/dbraw/zinc/56/72/67/607567267.db2.gz CFDGWARNJQBVHC-SECBINFHSA-N -1 1 358.333 3.096 20 5 FGBDMM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000833811691 605605367 /nfs/dbraw/zinc/60/53/67/605605367.db2.gz DOMDHEVTAUFIRF-GXTWGEPZSA-N -1 1 374.397 3.118 20 5 FGBDMM Cc1c2ccccc2oc1[C@@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822020399 606699779 /nfs/dbraw/zinc/69/97/79/606699779.db2.gz BYYFLOYJPCZCGD-SNVBAGLBSA-N -1 1 365.353 3.398 20 5 FGBDMM Cc1c2ccccc2oc1[C@@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822020399 606699780 /nfs/dbraw/zinc/69/97/80/606699780.db2.gz BYYFLOYJPCZCGD-SNVBAGLBSA-N -1 1 365.353 3.398 20 5 FGBDMM Cc1ccccc1[C@H]1CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826306741 607840574 /nfs/dbraw/zinc/84/05/74/607840574.db2.gz JSABIGRXHUHCJV-MRXNPFEDSA-N -1 1 350.382 3.425 20 5 FGBDMM C[C@@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000824649450 608415997 /nfs/dbraw/zinc/41/59/97/608415997.db2.gz MERYZMBWSXBAEV-LLVKDONJSA-N -1 1 361.365 3.496 20 5 FGBDMM C[C@@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000824649450 608415999 /nfs/dbraw/zinc/41/59/99/608415999.db2.gz MERYZMBWSXBAEV-LLVKDONJSA-N -1 1 361.365 3.496 20 5 FGBDMM CCOc1cccc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119666122 700635304 /nfs/dbraw/zinc/63/53/04/700635304.db2.gz YTOFQZIXBDOLBW-JTQLQIEISA-N -1 1 356.425 3.095 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(C)c1 ZINC000132378667 700827039 /nfs/dbraw/zinc/82/70/39/700827039.db2.gz WXLOQNFDBGZMTK-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000174007946 705482338 /nfs/dbraw/zinc/48/23/38/705482338.db2.gz GLGFIQIGLXZLPX-SECBINFHSA-N -1 1 374.340 3.094 20 5 FGBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619467258 714840267 /nfs/dbraw/zinc/84/02/67/714840267.db2.gz WNWNFWWMTUYDER-UHFFFAOYSA-N -1 1 372.786 3.066 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1 ZINC000742308288 722554990 /nfs/dbraw/zinc/55/49/90/722554990.db2.gz FLUWWMRQIISNBX-JSGCOSHPSA-N -1 1 366.826 3.158 20 5 FGBDMM CCCCC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(C)(C)C ZINC000754804267 722946021 /nfs/dbraw/zinc/94/60/21/722946021.db2.gz GKFVEKAQZYHXLG-ZDUSSCGKSA-N -1 1 360.480 3.085 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790382044 723134180 /nfs/dbraw/zinc/13/41/80/723134180.db2.gz JFPQJIZYDWTJRF-UHFFFAOYSA-N -1 1 365.367 3.229 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccsc1 ZINC000795973652 723616011 /nfs/dbraw/zinc/61/60/11/723616011.db2.gz YLXLRDLIJAKINE-SSDOTTSWSA-N -1 1 364.807 3.488 20 5 FGBDMM C[C@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768883909 723670926 /nfs/dbraw/zinc/67/09/26/723670926.db2.gz ZCPIENXMLCPGNM-BONVTDFDSA-N -1 1 352.437 3.258 20 5 FGBDMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800052345 724136864 /nfs/dbraw/zinc/13/68/64/724136864.db2.gz RIGBZCVPSPVKRW-UHFFFAOYSA-N -1 1 370.406 3.237 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000800146336 724154648 /nfs/dbraw/zinc/15/46/48/724154648.db2.gz QZEHWCVQPZUNGM-SECBINFHSA-N -1 1 368.789 3.352 20 5 FGBDMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000786879596 725004911 /nfs/dbraw/zinc/00/49/11/725004911.db2.gz GTEHRNWYCMVXHF-UHFFFAOYSA-N -1 1 355.803 3.369 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CCC1 ZINC000809827830 725271453 /nfs/dbraw/zinc/27/14/53/725271453.db2.gz FVXXUGRFTUEDQJ-ZETCQYMHSA-N -1 1 353.227 3.369 20 5 FGBDMM CCSCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809842583 725272460 /nfs/dbraw/zinc/27/24/60/725272460.db2.gz GMSWSHONJOERQV-UHFFFAOYSA-N -1 1 373.283 3.323 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)c1Cl ZINC000828364241 729442700 /nfs/dbraw/zinc/44/27/00/729442700.db2.gz CCBFQVVGEOHEAV-XHNCKOQMSA-N -1 1 365.238 3.369 20 5 FGBDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)OCO2 ZINC000840915413 730190946 /nfs/dbraw/zinc/19/09/46/730190946.db2.gz HRWAPKXJMHDLFK-UHFFFAOYSA-N -1 1 364.379 3.050 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)c1 ZINC000841563508 730257019 /nfs/dbraw/zinc/25/70/19/730257019.db2.gz OYUXIKZGDHZIRT-QMMMGPOBSA-N -1 1 374.768 3.423 20 5 FGBDMM C[C@@]1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000845980431 730914802 /nfs/dbraw/zinc/91/48/02/730914802.db2.gz LTLCKZWJZZNDDH-NEPJUHHUSA-N -1 1 371.217 3.231 20 5 FGBDMM C[C@@]1(C(=O)[O-])CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000901699836 743622597 /nfs/dbraw/zinc/62/25/97/743622597.db2.gz OKGZGSGYLBSLCI-QGZVFWFLSA-N -1 1 361.423 3.405 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000048230785 493805619 /nfs/dbraw/zinc/80/56/19/493805619.db2.gz BZRCCTVCRUZXAV-UHFFFAOYSA-N -1 1 359.363 3.359 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)cc1[N+](=O)[O-] ZINC000031721935 493957301 /nfs/dbraw/zinc/95/73/01/493957301.db2.gz NHINJBQEJOYUIZ-UHFFFAOYSA-N -1 1 361.379 3.194 20 5 FGBDMM CC(C)CN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000065945735 494260201 /nfs/dbraw/zinc/26/02/01/494260201.db2.gz SQLLXLJFYJYVAT-UHFFFAOYSA-N -1 1 363.439 3.488 20 5 FGBDMM COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCCC2 ZINC000020461256 494473270 /nfs/dbraw/zinc/47/32/70/494473270.db2.gz RBXCJQKWNCEBES-UHFFFAOYSA-N -1 1 350.352 3.167 20 5 FGBDMM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000113428382 495305181 /nfs/dbraw/zinc/30/51/81/495305181.db2.gz RRKLYSMEEMDUGD-UHFFFAOYSA-N -1 1 361.720 3.425 20 5 FGBDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)on1 ZINC000124671837 495325490 /nfs/dbraw/zinc/32/54/90/495325490.db2.gz CGGBNXNZYRMZNT-UHFFFAOYSA-N -1 1 373.456 3.335 20 5 FGBDMM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146967865 495570294 /nfs/dbraw/zinc/57/02/94/495570294.db2.gz OBWBZMFLHXUFKD-SECBINFHSA-N -1 1 360.844 3.219 20 5 FGBDMM Cc1c(C(=O)Nc2ccc([O-])c(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000182865806 495733221 /nfs/dbraw/zinc/73/32/21/495733221.db2.gz HXJZBLKAUSEMBI-UHFFFAOYSA-N -1 1 373.756 3.095 20 5 FGBDMM Cc1cc(Br)c(O)c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000183599818 496043112 /nfs/dbraw/zinc/04/31/12/496043112.db2.gz ABCOGDPUULPXCW-UHFFFAOYSA-N -1 1 367.155 3.329 20 5 FGBDMM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186976493 496237289 /nfs/dbraw/zinc/23/72/89/496237289.db2.gz DNNFYLGKBDYTTJ-CYBMUJFWSA-N -1 1 373.409 3.234 20 5 FGBDMM O=C([O-])c1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000571888908 505839219 /nfs/dbraw/zinc/83/92/19/505839219.db2.gz VONAGLVLEDBDIG-UHFFFAOYSA-N -1 1 362.407 3.398 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1F ZINC000191789193 496889396 /nfs/dbraw/zinc/88/93/96/496889396.db2.gz ALIQXLKYUPKBLY-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM COc1ccc(COCCCc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000274101957 497016478 /nfs/dbraw/zinc/01/64/78/497016478.db2.gz UZNQVOOPVPNJTQ-UHFFFAOYSA-N -1 1 358.354 3.131 20 5 FGBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Br)cc1O ZINC000221012794 497017900 /nfs/dbraw/zinc/01/79/00/497017900.db2.gz GCSWQDUFPVENMG-UHFFFAOYSA-N -1 1 353.128 3.021 20 5 FGBDMM CCOc1ccc(C2=CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000193792196 497483648 /nfs/dbraw/zinc/48/36/48/497483648.db2.gz UWEIQNMUDJBFDA-UHFFFAOYSA-N -1 1 369.377 3.024 20 5 FGBDMM CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)CC1 ZINC000299150463 498979884 /nfs/dbraw/zinc/97/98/84/498979884.db2.gz QJMYXGCDHZSYRV-UHFFFAOYSA-N -1 1 356.382 3.047 20 5 FGBDMM O=C(Nc1c([O-])cccc1Cl)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000579265363 506131807 /nfs/dbraw/zinc/13/18/07/506131807.db2.gz HCXRZDRCNKRCNQ-UHFFFAOYSA-N -1 1 359.725 3.460 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c(C(F)(F)F)c1 ZINC000416592914 500068496 /nfs/dbraw/zinc/06/84/96/500068496.db2.gz MVYZCFPPXBDVIL-GHMZBOCLSA-N -1 1 370.324 3.173 20 5 FGBDMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1[N+](=O)[O-] ZINC000426810641 500323580 /nfs/dbraw/zinc/32/35/80/500323580.db2.gz PQLMSQAIAQMGHG-INIZCTEOSA-N -1 1 364.785 3.481 20 5 FGBDMM Cc1ccccc1O[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444970218 500927557 /nfs/dbraw/zinc/92/75/57/500927557.db2.gz ULSDYYHKVAEAMM-RHSMWYFYSA-N -1 1 371.393 3.124 20 5 FGBDMM O=C(N[C@H](c1cccc(F)c1)C1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444994932 500930560 /nfs/dbraw/zinc/93/05/60/500930560.db2.gz FXYYZSWSBYCYLE-INIZCTEOSA-N -1 1 359.357 3.496 20 5 FGBDMM C[C@@H]1C[C@@H]1[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000445011102 500932800 /nfs/dbraw/zinc/93/28/00/500932800.db2.gz WJFYKEZWMSVZGL-ZDBHGNHJSA-N -1 1 361.785 3.476 20 5 FGBDMM O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)n1 ZINC000445477019 500992872 /nfs/dbraw/zinc/99/28/72/500992872.db2.gz LIQAUTYJRYRCDD-UHFFFAOYSA-N -1 1 367.296 3.342 20 5 FGBDMM COc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc(Cl)c1[O-] ZINC000481478396 501786779 /nfs/dbraw/zinc/78/67/79/501786779.db2.gz IPPISTYMBBADRM-UHFFFAOYSA-N -1 1 350.758 3.201 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000611737589 506278600 /nfs/dbraw/zinc/27/86/00/506278600.db2.gz QQRJJICXBZGOFL-UHFFFAOYSA-N -1 1 354.409 3.126 20 5 FGBDMM CC(C)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471108671 501923079 /nfs/dbraw/zinc/92/30/79/501923079.db2.gz QJDOSAVOIBFKJF-UHFFFAOYSA-N -1 1 364.379 3.217 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000481941641 501924662 /nfs/dbraw/zinc/92/46/62/501924662.db2.gz AYMLYODLROJEKT-UHFFFAOYSA-N -1 1 372.349 3.348 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc3c[nH]nc3cc2C)c1 ZINC000479115524 502167872 /nfs/dbraw/zinc/16/78/72/502167872.db2.gz NBYCIKJCXFMYBL-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)c([N+](=O)[O-])c1 ZINC000468981157 502251602 /nfs/dbraw/zinc/25/16/02/502251602.db2.gz OCWQHIXPIUQSGO-UHFFFAOYSA-N -1 1 352.416 3.016 20 5 FGBDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000475836446 502305650 /nfs/dbraw/zinc/30/56/50/502305650.db2.gz UKMKSXTWXPHGSJ-UHFFFAOYSA-N -1 1 354.359 3.322 20 5 FGBDMM Cc1c(Br)cccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000476245589 502427087 /nfs/dbraw/zinc/42/70/87/502427087.db2.gz JUDVGGNPXVEVFO-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000484959586 502787156 /nfs/dbraw/zinc/78/71/56/502787156.db2.gz LMZFVQXMTXHFTF-UHFFFAOYSA-N -1 1 366.708 3.457 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC000481261686 502799989 /nfs/dbraw/zinc/79/99/89/502799989.db2.gz PQKCJVWRLLTYHM-WCQYABFASA-N -1 1 370.427 3.410 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000514898008 503222626 /nfs/dbraw/zinc/22/26/26/503222626.db2.gz AWPGGJSVJDAVPQ-UHFFFAOYSA-N -1 1 372.358 3.247 20 5 FGBDMM CCCCOc1ccccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000511143561 503267964 /nfs/dbraw/zinc/26/79/64/503267964.db2.gz ONYCYMFUVAQKGG-UHFFFAOYSA-N -1 1 366.395 3.280 20 5 FGBDMM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000515708841 503388868 /nfs/dbraw/zinc/38/88/68/503388868.db2.gz CYGXKFSKVJWUKI-BXKDBHETSA-N -1 1 370.814 3.443 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000511858576 503402057 /nfs/dbraw/zinc/40/20/57/503402057.db2.gz IZGXUONDQFRAET-ZDUSSCGKSA-N -1 1 370.789 3.353 20 5 FGBDMM Cc1sc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc1-c1c[nH]c2ncccc12 ZINC000503907847 503487228 /nfs/dbraw/zinc/48/72/28/503487228.db2.gz GPOOPDWLEUVFRZ-UHFFFAOYSA-N -1 1 368.378 3.483 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCC2)s1 ZINC000503936449 503493114 /nfs/dbraw/zinc/49/31/14/503493114.db2.gz KHGLZFBSRGZJBW-UHFFFAOYSA-N -1 1 370.427 3.196 20 5 FGBDMM Cc1n[nH]c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1-c1ccccc1 ZINC000533946984 503998432 /nfs/dbraw/zinc/99/84/32/503998432.db2.gz ODRHCUALKHVAAH-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)c1 ZINC000541795553 504257276 /nfs/dbraw/zinc/25/72/76/504257276.db2.gz FCHYRZQDPXALTD-UHFFFAOYSA-N -1 1 364.379 3.050 20 5 FGBDMM Cc1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000521425011 504734058 /nfs/dbraw/zinc/73/40/58/504734058.db2.gz CQFUWTLJXURVGC-UHFFFAOYSA-N -1 1 354.815 3.078 20 5 FGBDMM CC(=C([O-])Nc1nc(-c2ccccc2)ns1)c1cccc([N+](=O)[O-])c1 ZINC000565340731 504858804 /nfs/dbraw/zinc/85/88/04/504858804.db2.gz BZEAZNYLBRRPMK-NSHDSACASA-N -1 1 354.391 3.277 20 5 FGBDMM CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCC(C(=O)[O-])CC1 ZINC000567753996 505557033 /nfs/dbraw/zinc/55/70/33/505557033.db2.gz NOCIPUAMTLFQGM-UHFFFAOYSA-N -1 1 374.397 3.110 20 5 FGBDMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000604194623 506745730 /nfs/dbraw/zinc/74/57/30/506745730.db2.gz WXKSOBBCGSQSLU-UHFFFAOYSA-N -1 1 354.347 3.467 20 5 FGBDMM CO[C@H](C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-])C1CC1 ZINC000593949139 506843050 /nfs/dbraw/zinc/84/30/50/506843050.db2.gz WQLCKWICCGXSMY-SJLPKXTDSA-N -1 1 374.393 3.213 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000604512948 506857309 /nfs/dbraw/zinc/85/73/09/506857309.db2.gz IBIICTLFKLAWBK-UHFFFAOYSA-N -1 1 370.390 3.298 20 5 FGBDMM CCc1nc(SCC(=O)c2ccc([N+](=O)[O-])cc2F)[n-]c(=O)c1C ZINC000600547766 506991628 /nfs/dbraw/zinc/99/16/28/506991628.db2.gz IZOYFCBTFCKQID-UHFFFAOYSA-N -1 1 351.359 3.075 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000609802022 507007978 /nfs/dbraw/zinc/00/79/78/507007978.db2.gz GJMFLUFTFVJSPA-LLVKDONJSA-N -1 1 370.839 3.374 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000609899124 507044140 /nfs/dbraw/zinc/04/41/40/507044140.db2.gz BFKNTMAYYDSCEP-UHFFFAOYSA-N -1 1 370.789 3.355 20 5 FGBDMM COc1ccc([C@H]2CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)cc1F ZINC000600674141 507058431 /nfs/dbraw/zinc/05/84/31/507058431.db2.gz JTGWHPMCCIEJEX-AWEZNQCLSA-N -1 1 374.368 3.430 20 5 FGBDMM CCCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000597691286 507061785 /nfs/dbraw/zinc/06/17/85/507061785.db2.gz DNCVLSIRJULELH-UHFFFAOYSA-N -1 1 350.400 3.476 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1Oc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738359561 598961944 /nfs/dbraw/zinc/96/19/44/598961944.db2.gz JPNNZKABTPFICI-UHFFFAOYSA-N -1 1 369.728 3.164 20 5 FGBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000758171683 601782527 /nfs/dbraw/zinc/78/25/27/601782527.db2.gz YLCDWNCRNLXERS-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM CCN(Cc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000827187339 605230923 /nfs/dbraw/zinc/23/09/23/605230923.db2.gz YDCATSQCMGJAED-UHFFFAOYSA-N -1 1 359.338 3.053 20 5 FGBDMM O=[N+]([O-])c1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)cc1Cl ZINC000826499300 608180116 /nfs/dbraw/zinc/18/01/16/608180116.db2.gz DDVFDXKWDODTIQ-UHFFFAOYSA-N -1 1 359.154 3.331 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)cccc1[N+](=O)[O-] ZINC000135683637 704851909 /nfs/dbraw/zinc/85/19/09/704851909.db2.gz IWWZOGWIKPBKCC-UHFFFAOYSA-N -1 1 361.423 3.086 20 5 FGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc(-c2cnccn2)n1 ZINC000170840940 705363307 /nfs/dbraw/zinc/36/33/07/705363307.db2.gz XXVADQNQTNZAPH-UHFFFAOYSA-N -1 1 363.305 3.039 20 5 FGBDMM CN(Cc1ccc(Cl)cc1Cl)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618338495 714736016 /nfs/dbraw/zinc/73/60/16/714736016.db2.gz NOSUUJRCPNVRDQ-UHFFFAOYSA-N -1 1 356.165 3.274 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCCCc1ccccc1 ZINC000727679200 722446187 /nfs/dbraw/zinc/44/61/87/722446187.db2.gz NAYQVCPXMORABB-UHFFFAOYSA-N -1 1 366.414 3.425 20 5 FGBDMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000756332517 722962949 /nfs/dbraw/zinc/96/29/49/722962949.db2.gz KBJGEMVWGKUNPA-HNNXBMFYSA-N -1 1 350.758 3.172 20 5 FGBDMM CC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000768565467 723662182 /nfs/dbraw/zinc/66/21/82/723662182.db2.gz VGEAKKYAIMCMOQ-UHFFFAOYSA-N -1 1 366.826 3.084 20 5 FGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 ZINC000769050377 723675675 /nfs/dbraw/zinc/67/56/75/723675675.db2.gz UOVHBBJAHAKDBC-SECBINFHSA-N -1 1 364.741 3.138 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2cnc3ccccc3c2)c(F)ccc1[N+](=O)[O-] ZINC000800933567 724250422 /nfs/dbraw/zinc/25/04/22/724250422.db2.gz QFGQSOKYMGBTDK-UHFFFAOYSA-N -1 1 361.354 3.391 20 5 FGBDMM O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(Br)c([O-])c1 ZINC000778826293 724365646 /nfs/dbraw/zinc/36/56/46/724365646.db2.gz HZMMLPVRDWYZPS-UHFFFAOYSA-N -1 1 358.169 3.481 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccncc1 ZINC000815017940 727020297 /nfs/dbraw/zinc/02/02/97/727020297.db2.gz AGGFHDFNXCOTLG-LBPRGKRZSA-N -1 1 373.793 3.212 20 5 FGBDMM C[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000818329976 727307573 /nfs/dbraw/zinc/30/75/73/727307573.db2.gz JTLKQGCZGAYACE-RNCFNFMXSA-N -1 1 357.204 3.042 20 5 FGBDMM O=C([N-]Cc1c(F)cc(F)cc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000818521380 727312833 /nfs/dbraw/zinc/31/28/33/727312833.db2.gz GDBLQBHYNICKAZ-UHFFFAOYSA-N -1 1 360.238 3.420 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC=CCC2)c1Cl ZINC000830564809 729572005 /nfs/dbraw/zinc/57/20/05/729572005.db2.gz VTDDKYCMFUUPEL-QMMMGPOBSA-N -1 1 351.211 3.289 20 5 FGBDMM CO[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl)C1CCCC1 ZINC000849337127 731249653 /nfs/dbraw/zinc/24/96/53/731249653.db2.gz MQFNXPYZXZTAAJ-ZDUSSCGKSA-N -1 1 362.835 3.195 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000849464489 731262971 /nfs/dbraw/zinc/26/29/71/731262971.db2.gz XCRRYHLDGVICHO-VIFPVBQESA-N -1 1 353.227 3.369 20 5 FGBDMM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000917746776 758265583 /nfs/dbraw/zinc/26/55/83/758265583.db2.gz NKHNAHLRSVOOKY-UHFFFAOYSA-N -1 1 367.402 3.379 20 5 FGBDMM C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000920044631 758504173 /nfs/dbraw/zinc/50/41/73/758504173.db2.gz OMHAUHFDSQRYQS-SECBINFHSA-N -1 1 360.844 3.219 20 5 FGBDMM CC[C@]1(C(=O)[O-])CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000923471041 759126604 /nfs/dbraw/zinc/12/66/04/759126604.db2.gz UGJNOUXLFFMJMN-HNNXBMFYSA-N -1 1 371.231 3.434 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000030530194 493894799 /nfs/dbraw/zinc/89/47/99/493894799.db2.gz AZXUCBKAVIZUMK-UHFFFAOYSA-N -1 1 372.305 3.026 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000055549444 494358902 /nfs/dbraw/zinc/35/89/02/494358902.db2.gz MLKUOZWCPZOIBG-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM CCOc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000055631784 494376702 /nfs/dbraw/zinc/37/67/02/494376702.db2.gz QPHZWQVEFIIIEZ-UHFFFAOYSA-N -1 1 366.395 3.111 20 5 FGBDMM COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000126533986 494782179 /nfs/dbraw/zinc/78/21/79/494782179.db2.gz APXLAKVGUHOOLX-UHFFFAOYSA-N -1 1 367.155 3.324 20 5 FGBDMM CC(C)c1nnc(-c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2[O-])[nH]1 ZINC000136586462 495388756 /nfs/dbraw/zinc/38/87/56/495388756.db2.gz NNHSCQVDZYGKFU-UHFFFAOYSA-N -1 1 367.365 3.461 20 5 FGBDMM CCOc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000577760650 505787374 /nfs/dbraw/zinc/78/73/74/505787374.db2.gz LVZNJQJMRYAQIO-QGZVFWFLSA-N -1 1 356.378 3.005 20 5 FGBDMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000171013732 495690545 /nfs/dbraw/zinc/69/05/45/495690545.db2.gz JLVMPNKQJVBRSX-LBPRGKRZSA-N -1 1 350.396 3.411 20 5 FGBDMM CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@@H]1c1ccccc1 ZINC000174094386 495818208 /nfs/dbraw/zinc/81/82/08/495818208.db2.gz IAGRNNRVQNLDOH-BBRMVZONSA-N -1 1 355.394 3.351 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000151565878 495880022 /nfs/dbraw/zinc/88/00/22/495880022.db2.gz HJDDEYAUPSRWLN-GFCCVEGCSA-N -1 1 373.390 3.289 20 5 FGBDMM COc1cc(C(=O)[N-]c2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)on1 ZINC000183482197 496004105 /nfs/dbraw/zinc/00/41/05/496004105.db2.gz YEKKONNFPCIKHP-UHFFFAOYSA-N -1 1 360.351 3.276 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1F ZINC000187069073 496278364 /nfs/dbraw/zinc/27/83/64/496278364.db2.gz MEZZZDFBHGHBRF-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000187545015 496485197 /nfs/dbraw/zinc/48/51/97/496485197.db2.gz SHRXBVFTXPHJLR-LBPRGKRZSA-N -1 1 370.390 3.282 20 5 FGBDMM COc1cccc(-c2nc(C)c(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)[nH]2)c1 ZINC000166134220 496677978 /nfs/dbraw/zinc/67/79/78/496677978.db2.gz BJJHPYMIUADZBI-UHFFFAOYSA-N -1 1 368.349 3.260 20 5 FGBDMM CCOCCOc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000264018202 496790165 /nfs/dbraw/zinc/79/01/65/496790165.db2.gz NLMLCILCPONCOB-UHFFFAOYSA-N -1 1 353.762 3.244 20 5 FGBDMM CCn1ncc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc21 ZINC000191793325 496890650 /nfs/dbraw/zinc/89/06/50/496890650.db2.gz NOHQHDJMBODJNM-UHFFFAOYSA-N -1 1 374.422 3.382 20 5 FGBDMM CC(C)[C@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000273797280 496911428 /nfs/dbraw/zinc/91/14/28/496911428.db2.gz HNYDMAKGPKFCAF-NSHDSACASA-N -1 1 351.363 3.195 20 5 FGBDMM COC(=O)c1c[n-]c(SCc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000193536431 497405874 /nfs/dbraw/zinc/40/58/74/497405874.db2.gz FLTZMZACQBNARI-UHFFFAOYSA-N -1 1 361.301 3.416 20 5 FGBDMM Cc1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000363099612 498649674 /nfs/dbraw/zinc/64/96/74/498649674.db2.gz WNVFZSZVWXWGIH-UHFFFAOYSA-N -1 1 368.389 3.344 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000367350250 499186573 /nfs/dbraw/zinc/18/65/73/499186573.db2.gz SZIJOBVXAAKPBJ-INIZCTEOSA-N -1 1 365.748 3.060 20 5 FGBDMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000368731667 499326096 /nfs/dbraw/zinc/32/60/96/499326096.db2.gz FBHHHTQZEWGNCQ-UHFFFAOYSA-N -1 1 364.774 3.051 20 5 FGBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(F)(F)F ZINC000416594865 500069580 /nfs/dbraw/zinc/06/95/80/500069580.db2.gz DTWWOGMQNFVWJY-ZETCQYMHSA-N -1 1 360.741 3.115 20 5 FGBDMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc(C)c([N+](=O)[O-])c2)c1OC ZINC000426765250 500317947 /nfs/dbraw/zinc/31/79/47/500317947.db2.gz LLRZDNKDMQSQIO-HNNXBMFYSA-N -1 1 374.393 3.226 20 5 FGBDMM Cc1sc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)cc1[N+](=O)[O-] ZINC000431626120 500400627 /nfs/dbraw/zinc/40/06/27/500400627.db2.gz SXBBGMGIJQRNKO-LBPRGKRZSA-N -1 1 362.379 3.249 20 5 FGBDMM O=[N+]([O-])c1ccc(CCS(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)cc1 ZINC000431636266 500401583 /nfs/dbraw/zinc/40/15/83/500401583.db2.gz OPHZXRPYMVQKKO-HNNXBMFYSA-N -1 1 370.377 3.063 20 5 FGBDMM Cc1ccc2nc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000427631921 500413631 /nfs/dbraw/zinc/41/36/31/500413631.db2.gz TUVAGQKLYGPJMZ-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1Cl ZINC000432648698 500542937 /nfs/dbraw/zinc/54/29/37/500542937.db2.gz KDLIQFJAVDPXRC-UHFFFAOYSA-N -1 1 372.786 3.066 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC=C(c2cccc3ccccc32)C1 ZINC000445156725 500950435 /nfs/dbraw/zinc/95/04/35/500950435.db2.gz GJFXXEKLKZWTRP-UHFFFAOYSA-N -1 1 361.357 3.388 20 5 FGBDMM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC000445187722 500952934 /nfs/dbraw/zinc/95/29/34/500952934.db2.gz HUJUQDYPQRRHRB-UHFFFAOYSA-N -1 1 354.366 3.032 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](Cc3ccccc3)C2)s1 ZINC000445705862 501022231 /nfs/dbraw/zinc/02/22/31/501022231.db2.gz XQCKARQNQDVVOC-ZIAGYGMSSA-N -1 1 366.464 3.346 20 5 FGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000446375973 501112787 /nfs/dbraw/zinc/11/27/87/501112787.db2.gz DFPUKXGURXSDMI-SSDOTTSWSA-N -1 1 356.165 3.493 20 5 FGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000479114255 502167462 /nfs/dbraw/zinc/16/74/62/502167462.db2.gz HTPOFAUKSGZFDW-UHFFFAOYSA-N -1 1 366.443 3.324 20 5 FGBDMM CC(C)CCc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000468946805 502239745 /nfs/dbraw/zinc/23/97/45/502239745.db2.gz KQIJXYKJDBSESS-UHFFFAOYSA-N -1 1 372.834 3.361 20 5 FGBDMM Cc1cccc(OCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000486850643 502283343 /nfs/dbraw/zinc/28/33/43/502283343.db2.gz PKRUUXSWYNGFOV-UHFFFAOYSA-N -1 1 370.452 3.021 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000476550655 502521887 /nfs/dbraw/zinc/52/18/87/502521887.db2.gz QUCZBSIJYJYYLE-UHFFFAOYSA-N -1 1 366.826 3.302 20 5 FGBDMM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000462719196 502548559 /nfs/dbraw/zinc/54/85/59/502548559.db2.gz FDONSZDGCBKLAA-SNVBAGLBSA-N -1 1 372.830 3.449 20 5 FGBDMM COc1c(C(=O)[N-]c2nc(-c3cccs3)ns2)cccc1[N+](=O)[O-] ZINC000480740335 502658698 /nfs/dbraw/zinc/65/86/98/502658698.db2.gz LDHKHLCJIGRGIR-UHFFFAOYSA-N -1 1 362.392 3.436 20 5 FGBDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1C ZINC000494782921 503609977 /nfs/dbraw/zinc/60/99/77/503609977.db2.gz DDSFSKSKZPHSEN-LBPRGKRZSA-N -1 1 370.452 3.101 20 5 FGBDMM Cc1cccc([C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000530690233 504053776 /nfs/dbraw/zinc/05/37/76/504053776.db2.gz UWTLOPPWGCRIRF-HNNXBMFYSA-N -1 1 363.439 3.364 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c1 ZINC000541800936 504259665 /nfs/dbraw/zinc/25/96/65/504259665.db2.gz RFSBXHUXIXOSBV-UHFFFAOYSA-N -1 1 350.396 3.335 20 5 FGBDMM Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000520723284 504566460 /nfs/dbraw/zinc/56/64/60/504566460.db2.gz OBHTWCPRBANUMX-CYBMUJFWSA-N -1 1 370.409 3.498 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000521061452 504641194 /nfs/dbraw/zinc/64/11/94/504641194.db2.gz ZWWVKUUQULXUDY-IBGZPJMESA-N -1 1 356.378 3.313 20 5 FGBDMM CC[C@@](C)(NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000563479939 505151671 /nfs/dbraw/zinc/15/16/71/505151671.db2.gz PBRZNELQDJXTAF-QGZVFWFLSA-N -1 1 355.354 3.028 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)s1 ZINC000609196195 506810555 /nfs/dbraw/zinc/81/05/55/506810555.db2.gz BBWVKORZMWCOJL-OAHLLOKOSA-N -1 1 352.437 3.476 20 5 FGBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000609843152 507020358 /nfs/dbraw/zinc/02/03/58/507020358.db2.gz MDEMCEMVYSNCTE-UHFFFAOYSA-N -1 1 362.798 3.303 20 5 FGBDMM CC1(C)CC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc21 ZINC000610263389 507167086 /nfs/dbraw/zinc/16/70/86/507167086.db2.gz RDIQPNPZCHWYHB-AWEZNQCLSA-N -1 1 361.423 3.081 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c1C ZINC000610796482 507394396 /nfs/dbraw/zinc/39/43/96/507394396.db2.gz ZXBPBVDMRALQOG-UHFFFAOYSA-N -1 1 352.416 3.033 20 5 FGBDMM C[C@H](CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CC1)C(=O)[O-] ZINC000736584725 599933634 /nfs/dbraw/zinc/93/36/34/599933634.db2.gz XWOWXWRAOWXDFD-SECBINFHSA-N -1 1 351.384 3.015 20 5 FGBDMM COc1ccc(CN2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])cc1[N+](=O)[O-] ZINC000739906171 601927199 /nfs/dbraw/zinc/92/71/99/601927199.db2.gz LFMQPUGJXFSVTQ-GJZGRUSLSA-N -1 1 363.414 3.100 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823639511 606461278 /nfs/dbraw/zinc/46/12/78/606461278.db2.gz BNYZQFZLKSMQRE-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1Oc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823639511 606461279 /nfs/dbraw/zinc/46/12/79/606461279.db2.gz BNYZQFZLKSMQRE-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM Cc1ccccc1[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826306740 607840626 /nfs/dbraw/zinc/84/06/26/607840626.db2.gz JSABIGRXHUHCJV-INIZCTEOSA-N -1 1 350.382 3.425 20 5 FGBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nc(-c2ccc(F)cc2)ns1 ZINC000112595299 700561224 /nfs/dbraw/zinc/56/12/24/700561224.db2.gz PIKPGNLPQMGAHI-UHFFFAOYSA-N -1 1 359.342 3.208 20 5 FGBDMM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175702264 705556225 /nfs/dbraw/zinc/55/62/25/705556225.db2.gz FSNSYSTZQNDTJU-VXGBXAGGSA-N -1 1 362.448 3.077 20 5 FGBDMM C[C@H]1C[C@@H]1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000615490712 714531590 /nfs/dbraw/zinc/53/15/90/714531590.db2.gz XOFXVYUWPWOMNE-QWHCGFSZSA-N -1 1 361.423 3.464 20 5 FGBDMM C[C@@]1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCc2ccccc21 ZINC000725837835 722424478 /nfs/dbraw/zinc/42/44/78/722424478.db2.gz LIHFLRGSWVEZDY-QGZVFWFLSA-N -1 1 364.398 3.264 20 5 FGBDMM CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000735317736 722515232 /nfs/dbraw/zinc/51/52/32/722515232.db2.gz NWJOOMQLCKNBFD-MNOVXSKESA-N -1 1 364.876 3.201 20 5 FGBDMM CSc1cc2c(cc1[N-]C(=O)c1cc(F)ccc1[N+](=O)[O-])OCCO2 ZINC000751202087 722798001 /nfs/dbraw/zinc/79/80/01/722798001.db2.gz QJBMIFKZPNJMPL-UHFFFAOYSA-N -1 1 364.354 3.479 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[nH]nc1C1CC1 ZINC000760320942 723048606 /nfs/dbraw/zinc/04/86/06/723048606.db2.gz FQHHNFFAOSUFFG-UHFFFAOYSA-N -1 1 370.818 3.266 20 5 FGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c([C@H](C)O)c1 ZINC000795378743 723586384 /nfs/dbraw/zinc/58/63/84/723586384.db2.gz CRCTXMJGQSMVQS-VIFPVBQESA-N -1 1 372.349 3.036 20 5 FGBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000766791598 723593195 /nfs/dbraw/zinc/59/31/95/723593195.db2.gz LVYKHFFFHNVBAS-UHFFFAOYSA-N -1 1 366.708 3.457 20 5 FGBDMM CC(C)Oc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768806496 723667768 /nfs/dbraw/zinc/66/77/68/723667768.db2.gz AGKPTNGLJDGAKF-LLVKDONJSA-N -1 1 370.452 3.483 20 5 FGBDMM CCCc1cc(=O)[n-]c(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000789640236 725140277 /nfs/dbraw/zinc/14/02/77/725140277.db2.gz PALMYPPZQPAHDB-UHFFFAOYSA-N -1 1 350.356 3.243 20 5 FGBDMM C[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000818329978 727307486 /nfs/dbraw/zinc/30/74/86/727307486.db2.gz JTLKQGCZGAYACE-ZANVPECISA-N -1 1 357.204 3.042 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826293224 729406940 /nfs/dbraw/zinc/40/69/40/729406940.db2.gz GOMOSEPVWIIXJD-VIFPVBQESA-N -1 1 359.367 3.063 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826293224 729406941 /nfs/dbraw/zinc/40/69/41/729406941.db2.gz GOMOSEPVWIIXJD-VIFPVBQESA-N -1 1 359.367 3.063 20 5 FGBDMM Cc1ccccc1C1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000827877190 729436412 /nfs/dbraw/zinc/43/64/12/729436412.db2.gz PNAGVONIJBKOGW-UHFFFAOYSA-N -1 1 350.371 3.010 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CCC1 ZINC000830954207 729605865 /nfs/dbraw/zinc/60/58/65/729605865.db2.gz XWFHWOSLQLBITF-SSDOTTSWSA-N -1 1 353.227 3.369 20 5 FGBDMM COCc1ccc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000840914104 730190628 /nfs/dbraw/zinc/19/06/28/730190628.db2.gz NVPZTGWMEZVALP-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000848509889 731173146 /nfs/dbraw/zinc/17/31/46/731173146.db2.gz MQRPAVIPIPMDIJ-SECBINFHSA-N -1 1 366.361 3.226 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000903625360 743863618 /nfs/dbraw/zinc/86/36/18/743863618.db2.gz KKUPZMYCIYMGSN-WFASDCNBSA-N -1 1 358.316 3.457 20 5 FGBDMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923255006 759091064 /nfs/dbraw/zinc/09/10/64/759091064.db2.gz WXEJBQXSJLAOEI-NXEZZACHSA-N -1 1 357.204 3.042 20 5 FGBDMM Cc1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)oc1C(=O)[O-] ZINC000568067377 505608008 /nfs/dbraw/zinc/60/80/08/505608008.db2.gz SZZNMHOYMJZRFZ-UHFFFAOYSA-N -1 1 360.366 3.238 20 5 FGBDMM Cc1c(C(=O)[N-]c2nnc(C(C)(C)C)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000059014232 493901481 /nfs/dbraw/zinc/90/14/81/493901481.db2.gz WGJSVTNUYQUOBE-UHFFFAOYSA-N -1 1 365.371 3.213 20 5 FGBDMM Cc1c(NC(=O)NCc2n[n-]c(=S)n2C(C)C)cccc1[N+](=O)[O-] ZINC000085548335 494130855 /nfs/dbraw/zinc/13/08/55/494130855.db2.gz WGIPTCWFTCQZTR-UHFFFAOYSA-N -1 1 350.404 3.060 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000086170946 494143172 /nfs/dbraw/zinc/14/31/72/494143172.db2.gz ZAKVLQJEZCOOFG-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM COc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000079949151 494555392 /nfs/dbraw/zinc/55/53/92/494555392.db2.gz VKDXGKVJSGKOAG-UHFFFAOYSA-N -1 1 370.405 3.404 20 5 FGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)c1 ZINC000118493711 495006097 /nfs/dbraw/zinc/00/60/97/495006097.db2.gz JKPUKEPUZWCHSY-UHFFFAOYSA-N -1 1 373.756 3.294 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)cc1[N+](=O)[O-] ZINC000135603607 495317033 /nfs/dbraw/zinc/31/70/33/495317033.db2.gz IXCDITDBRDFVTM-UHFFFAOYSA-N -1 1 361.354 3.391 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000182541218 495606445 /nfs/dbraw/zinc/60/64/45/495606445.db2.gz ZEFRUJUNHAJIPD-UHFFFAOYSA-N -1 1 372.349 3.348 20 5 FGBDMM CC(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000180859023 496175126 /nfs/dbraw/zinc/17/51/26/496175126.db2.gz QJZJQSWAIFNKGN-UHFFFAOYSA-N -1 1 358.326 3.423 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(C)c1 ZINC000175017102 496209782 /nfs/dbraw/zinc/20/97/82/496209782.db2.gz CJMRQAHIKKKCBX-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM COc1cc(CSc2nc(C3CC3)cc(=O)[n-]2)c([N+](=O)[O-])cc1F ZINC000195080909 496816527 /nfs/dbraw/zinc/81/65/27/496816527.db2.gz ZOASFXBUZFCHTQ-UHFFFAOYSA-N -1 1 351.359 3.408 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(C)c1O ZINC000191789010 496889588 /nfs/dbraw/zinc/88/95/88/496889588.db2.gz HEQGRIOJALJGFZ-UHFFFAOYSA-N -1 1 350.396 3.335 20 5 FGBDMM COc1ccccc1[C@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])N(C)C ZINC000578774992 506018253 /nfs/dbraw/zinc/01/82/53/506018253.db2.gz ZLDZTAMECHEWSE-KRWDZBQOSA-N -1 1 373.409 3.325 20 5 FGBDMM COc1cc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c([N+](=O)[O-])cc1F ZINC000294405359 498685502 /nfs/dbraw/zinc/68/55/02/498685502.db2.gz DYKHFUJLHWHCJK-UHFFFAOYSA-N -1 1 354.363 3.144 20 5 FGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000434966353 500916602 /nfs/dbraw/zinc/91/66/02/500916602.db2.gz XVJCOZYXNBCJAS-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1C ZINC000434969028 500917359 /nfs/dbraw/zinc/91/73/59/500917359.db2.gz WVQIJZYRXXMGIQ-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1CCc1ccccc1 ZINC000445139308 500948236 /nfs/dbraw/zinc/94/82/36/500948236.db2.gz VRNOGHNSGJLBQR-MRXNPFEDSA-N -1 1 355.394 3.323 20 5 FGBDMM COc1cc(OCc2nc(-c3ccc([O-])cc3F)no2)ccc1[N+](=O)[O-] ZINC000445457577 500989161 /nfs/dbraw/zinc/98/91/61/500989161.db2.gz SYSHSLUYFMWVQB-UHFFFAOYSA-N -1 1 361.285 3.077 20 5 FGBDMM O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1[O-] ZINC000436589615 501164886 /nfs/dbraw/zinc/16/48/86/501164886.db2.gz PVEPOYIAOVVLQK-UHFFFAOYSA-N -1 1 365.183 3.035 20 5 FGBDMM CCCCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)[nH]n1 ZINC000471521812 502053778 /nfs/dbraw/zinc/05/37/78/502053778.db2.gz IFTXNAHREGFIJS-UHFFFAOYSA-N -1 1 352.416 3.024 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@@H]1C1CCCCC1 ZINC000462493673 502463975 /nfs/dbraw/zinc/46/39/75/502463975.db2.gz XZPXSMFUMVIROM-YPMHNXCESA-N -1 1 358.847 3.495 20 5 FGBDMM CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000484059869 502559378 /nfs/dbraw/zinc/55/93/78/502559378.db2.gz JJBQQEGZHSFGPZ-UHFFFAOYSA-N -1 1 370.358 3.028 20 5 FGBDMM O=c1cc(C2CC2)nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)[n-]1 ZINC000470457276 502782444 /nfs/dbraw/zinc/78/24/44/502782444.db2.gz AQVLWCHVOFCDDK-UHFFFAOYSA-N -1 1 361.379 3.127 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000509586516 502942095 /nfs/dbraw/zinc/94/20/95/502942095.db2.gz HGGLBDHHSGOOCY-UHFFFAOYSA-N -1 1 362.407 3.283 20 5 FGBDMM O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000505758827 502979935 /nfs/dbraw/zinc/97/99/35/502979935.db2.gz RKBQHFFHYYRXNO-UHFFFAOYSA-N -1 1 365.271 3.380 20 5 FGBDMM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)c1 ZINC000516342108 503497933 /nfs/dbraw/zinc/49/79/33/503497933.db2.gz OSHVQQFQZKQPPR-UHFFFAOYSA-N -1 1 354.815 3.344 20 5 FGBDMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000494450658 503544019 /nfs/dbraw/zinc/54/40/19/503544019.db2.gz DPGYHJFKVGEGGE-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM Cc1cc([N-]c2ncc([N+](=O)[O-])cc2Br)nn1[C@@H](C)C1CC1 ZINC000542260997 504427755 /nfs/dbraw/zinc/42/77/55/504427755.db2.gz AQPIBAMQZXBUKM-VIFPVBQESA-N -1 1 366.219 3.394 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)cc1 ZINC000521415749 504731593 /nfs/dbraw/zinc/73/15/93/504731593.db2.gz HZFKJWWVSOIBTB-UHFFFAOYSA-N -1 1 350.396 3.357 20 5 FGBDMM O=C([O-])Cc1ccc(NC[C@@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000565038951 504778153 /nfs/dbraw/zinc/77/81/53/504778153.db2.gz WTTVIDOTYZUCDM-KRWDZBQOSA-N -1 1 373.409 3.454 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000559186092 504798100 /nfs/dbraw/zinc/79/81/00/504798100.db2.gz LJYYGYFBXYPIBF-NVXWUHKLSA-N -1 1 350.321 3.198 20 5 FGBDMM COC(=O)c1cc(C)nc([N-]c2cnn(Cc3ccccc3)c2)c1[N+](=O)[O-] ZINC000559588450 504893293 /nfs/dbraw/zinc/89/32/93/504893293.db2.gz NYUGOSGUHKNCOI-UHFFFAOYSA-N -1 1 367.365 3.073 20 5 FGBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1-c1ccccc1 ZINC000559709595 504912202 /nfs/dbraw/zinc/91/22/02/504912202.db2.gz TUOMJJHOBGMXGN-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM Cc1cccc(CN2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)c1 ZINC000563206748 505075976 /nfs/dbraw/zinc/07/59/76/505075976.db2.gz MSQBRJZFBDUNAG-UHFFFAOYSA-N -1 1 369.421 3.232 20 5 FGBDMM COc1ccccc1[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N(C)C ZINC000566294429 505136750 /nfs/dbraw/zinc/13/67/50/505136750.db2.gz ZNTBBNLUNBHGRI-MRXNPFEDSA-N -1 1 359.382 3.016 20 5 FGBDMM O=C([O-])c1cc(F)ccc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000566361883 505152760 /nfs/dbraw/zinc/15/27/60/505152760.db2.gz LJEJEKQXPPKHPT-UHFFFAOYSA-N -1 1 374.368 3.476 20 5 FGBDMM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000554631067 505227260 /nfs/dbraw/zinc/22/72/60/505227260.db2.gz CJLJHBXEEXEROH-LJQANCHMSA-N -1 1 355.394 3.279 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(-c3ccccc3F)on2)c1 ZINC000559051265 505557760 /nfs/dbraw/zinc/55/77/60/505557760.db2.gz CAIIAYUTOXVEEC-UHFFFAOYSA-N -1 1 371.324 3.462 20 5 FGBDMM CC(C)(C)c1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n[nH]2)cc1 ZINC000609516298 506907096 /nfs/dbraw/zinc/90/70/96/506907096.db2.gz NPXKOTQLPYJJQF-UHFFFAOYSA-N -1 1 354.370 3.258 20 5 FGBDMM COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000600661295 507052877 /nfs/dbraw/zinc/05/28/77/507052877.db2.gz ULAOKTHDKBROIF-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](CCc1ccccc1)C(F)F ZINC000600792556 507124513 /nfs/dbraw/zinc/12/45/13/507124513.db2.gz GILIACSQKUWNLA-ZDUSSCGKSA-N -1 1 365.336 3.034 20 5 FGBDMM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cc1O ZINC000591257927 507172183 /nfs/dbraw/zinc/17/21/83/507172183.db2.gz HZVJDLCZTWYXEN-UHFFFAOYSA-N -1 1 350.396 3.335 20 5 FGBDMM CC[C@H](NCc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000833643741 605174294 /nfs/dbraw/zinc/17/42/94/605174294.db2.gz FUOSTUOTZHNYGP-KRWDZBQOSA-N -1 1 372.377 3.321 20 5 FGBDMM O=[N+]([O-])c1cc(NCc2cccc(C(F)(F)F)c2)ccc1-c1nn[n-]n1 ZINC000823634702 606644719 /nfs/dbraw/zinc/64/47/19/606644719.db2.gz KHPMANIVWLVDKA-UHFFFAOYSA-N -1 1 364.287 3.406 20 5 FGBDMM CC1(C)CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2cccc(Cl)c21 ZINC000820607369 606704806 /nfs/dbraw/zinc/70/48/06/606704806.db2.gz RYFVOPJABGIZLU-UHFFFAOYSA-N -1 1 371.788 3.253 20 5 FGBDMM CC1(C)CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c2cccc(Cl)c21 ZINC000820607369 606704808 /nfs/dbraw/zinc/70/48/08/606704808.db2.gz RYFVOPJABGIZLU-UHFFFAOYSA-N -1 1 371.788 3.253 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1sccc1-c1nn[n-]n1 ZINC000826293209 609466814 /nfs/dbraw/zinc/46/68/14/609466814.db2.gz FYOAQMBYLACCEA-VIFPVBQESA-N -1 1 359.367 3.063 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1F ZINC000119082046 700619302 /nfs/dbraw/zinc/61/93/02/700619302.db2.gz SQKBBHBTWWXGNK-MRVPVSSYSA-N -1 1 360.313 3.052 20 5 FGBDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])sc1C ZINC000122414179 700689271 /nfs/dbraw/zinc/68/92/71/700689271.db2.gz LYDXAQKTAYRIPN-UHFFFAOYSA-N -1 1 373.431 3.021 20 5 FGBDMM CC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC000132307240 700826079 /nfs/dbraw/zinc/82/60/79/700826079.db2.gz RTJMYQLITWHHKX-UHFFFAOYSA-N -1 1 352.343 3.046 20 5 FGBDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Sc1ccccc1 ZINC000173784660 705471567 /nfs/dbraw/zinc/47/15/67/705471567.db2.gz KMEPTZPRTVDJJR-NSHDSACASA-N -1 1 370.427 3.193 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc([N+](=O)[O-])c1F ZINC000180065233 705726644 /nfs/dbraw/zinc/72/66/44/705726644.db2.gz QYVMVENTHKGQJI-UHFFFAOYSA-N -1 1 363.370 3.335 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1Cl ZINC000194333987 713518771 /nfs/dbraw/zinc/51/87/71/713518771.db2.gz HKAAOJUERGFMEU-VIFPVBQESA-N -1 1 358.778 3.427 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCCc2ccccc2)s1 ZINC000524312298 714277840 /nfs/dbraw/zinc/27/78/40/714277840.db2.gz JCEGTSFNIFOGCP-UHFFFAOYSA-N -1 1 354.453 3.348 20 5 FGBDMM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072721 724445356 /nfs/dbraw/zinc/44/53/56/724445356.db2.gz TZWCGCJGFZJSJR-UHFFFAOYSA-N -1 1 352.686 3.219 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N(C)C)c(Cl)c1 ZINC000731783650 722478116 /nfs/dbraw/zinc/47/81/16/722478116.db2.gz USKBNHLODCKMAL-UHFFFAOYSA-N -1 1 369.830 3.423 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000734003615 722503337 /nfs/dbraw/zinc/50/33/37/722503337.db2.gz RLSXEZDJUZUWDI-UHFFFAOYSA-N -1 1 366.782 3.473 20 5 FGBDMM CN(C)Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000739384113 722532809 /nfs/dbraw/zinc/53/28/09/722532809.db2.gz ATQDCSDQSXYDMO-UHFFFAOYSA-N -1 1 369.830 3.111 20 5 FGBDMM Cc1cccc(F)c1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742327256 722555506 /nfs/dbraw/zinc/55/55/06/722555506.db2.gz GYTHXAYYORKFKH-UHFFFAOYSA-N -1 1 358.778 3.174 20 5 FGBDMM Cc1cc(C)c(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C)c1 ZINC000746181744 722594276 /nfs/dbraw/zinc/59/42/76/722594276.db2.gz IRDDIPXGUSOVQT-UHFFFAOYSA-N -1 1 352.387 3.138 20 5 FGBDMM Cn1ncc2c1nc(Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-])[n-]c2=O ZINC000795252034 723575959 /nfs/dbraw/zinc/57/59/59/723575959.db2.gz LODVRPBKEYIMIK-UHFFFAOYSA-N -1 1 356.125 3.076 20 5 FGBDMM CSc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000800156054 724156837 /nfs/dbraw/zinc/15/68/37/724156837.db2.gz GRAMVKIUKWCWJI-SECBINFHSA-N -1 1 358.466 3.418 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC000805143156 725052774 /nfs/dbraw/zinc/05/27/74/725052774.db2.gz DSEGRAQNJNBSDP-JTQLQIEISA-N -1 1 354.762 3.023 20 5 FGBDMM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000808565228 725207224 /nfs/dbraw/zinc/20/72/24/725207224.db2.gz VIXZBGATOBYAKW-UHFFFAOYSA-N -1 1 359.766 3.200 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)cc1Cl ZINC000809809568 725270106 /nfs/dbraw/zinc/27/01/06/725270106.db2.gz RICWLPSSSQDDPA-JTQLQIEISA-N -1 1 370.789 3.006 20 5 FGBDMM Cc1cscc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809840866 725272478 /nfs/dbraw/zinc/27/24/78/725272478.db2.gz TVCQPEJBLNEBLU-UHFFFAOYSA-N -1 1 364.807 3.236 20 5 FGBDMM COc1cc(Br)ccc1OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000813810263 726915609 /nfs/dbraw/zinc/91/56/09/726915609.db2.gz JCBCKVUGCNUONM-UHFFFAOYSA-N -1 1 368.139 3.291 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000814985515 727017366 /nfs/dbraw/zinc/01/73/66/727017366.db2.gz JNIPZQVITRKRLU-NSHDSACASA-N -1 1 374.777 3.336 20 5 FGBDMM CCOc1cc(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000819892289 728950454 /nfs/dbraw/zinc/95/04/54/728950454.db2.gz CIXCQDRMDYTUHH-UHFFFAOYSA-N -1 1 351.746 3.187 20 5 FGBDMM CC(C)c1cc([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]n1 ZINC000829699998 729504363 /nfs/dbraw/zinc/50/43/63/729504363.db2.gz LSNRHAIQPRLBTK-UHFFFAOYSA-N -1 1 362.770 3.035 20 5 FGBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)cc1[N+](=O)[O-] ZINC000842586880 730516216 /nfs/dbraw/zinc/51/62/16/730516216.db2.gz YYPBCDBPORITQA-JTQLQIEISA-N -1 1 368.386 3.150 20 5 FGBDMM O=C([N-]c1nc(C2CCOCC2)ns1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000863264821 732934859 /nfs/dbraw/zinc/93/48/59/732934859.db2.gz HRDFGPMMQLTZHW-UHFFFAOYSA-N -1 1 368.802 3.246 20 5 FGBDMM CC(C)n1c(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[n-]c1=S ZINC000067075115 494471690 /nfs/dbraw/zinc/47/16/90/494471690.db2.gz LVELPFYYVGNKIV-UHFFFAOYSA-N -1 1 369.834 3.056 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cccc1[N+](=O)[O-] ZINC000091011095 494510510 /nfs/dbraw/zinc/51/05/10/494510510.db2.gz JHPWKQOEVUECHY-UHFFFAOYSA-N -1 1 350.396 3.491 20 5 FGBDMM Cc1c(C(=O)[N-]c2nc(C(C)(C)C)ns2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068073905 494751597 /nfs/dbraw/zinc/75/15/97/494751597.db2.gz KWMAZTMKXYFILR-UHFFFAOYSA-N -1 1 365.371 3.213 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000126810583 494841968 /nfs/dbraw/zinc/84/19/68/494841968.db2.gz SFSSDIFSCBUCKX-UHFFFAOYSA-N -1 1 350.400 3.085 20 5 FGBDMM COc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)ccc1[N+](=O)[O-] ZINC000124443883 495288907 /nfs/dbraw/zinc/28/89/07/495288907.db2.gz HXTXEKZNUNHDHR-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc(F)ccc1F ZINC000104752671 495302616 /nfs/dbraw/zinc/30/26/16/495302616.db2.gz NFMGSBHAPNDUBB-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000185683380 495678578 /nfs/dbraw/zinc/67/85/78/495678578.db2.gz FTHITQDUIMEAKO-ZETCQYMHSA-N -1 1 356.165 3.493 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000159954576 495849167 /nfs/dbraw/zinc/84/91/67/495849167.db2.gz CIZPYSKNYGVZIM-VIFPVBQESA-N -1 1 361.832 3.134 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000187069744 496280061 /nfs/dbraw/zinc/28/00/61/496280061.db2.gz NYQOTYCYAJQMDM-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])[nH]n1 ZINC000162941058 496437629 /nfs/dbraw/zinc/43/76/29/496437629.db2.gz HFYZBIZKBDLYCI-SNVBAGLBSA-N -1 1 368.415 3.031 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)c(C)c1F ZINC000191566767 496814931 /nfs/dbraw/zinc/81/49/31/496814931.db2.gz WUCVHIZPPQTDNU-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccccc32)s1 ZINC000194396854 497652964 /nfs/dbraw/zinc/65/29/64/497652964.db2.gz ZYNRRDJKFYBTRQ-SNVBAGLBSA-N -1 1 356.450 3.172 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1 ZINC000282590012 498571882 /nfs/dbraw/zinc/57/18/82/498571882.db2.gz DUCNXOSRGVKGHT-UHFFFAOYSA-N -1 1 350.400 3.395 20 5 FGBDMM O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1csc([N+](=O)[O-])c1 ZINC000410034501 499637342 /nfs/dbraw/zinc/63/73/42/499637342.db2.gz UWVGAYAVWFHMPU-UHFFFAOYSA-N -1 1 364.383 3.490 20 5 FGBDMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc(C)c([N+](=O)[O-])c2)c1OC ZINC000426765251 500317486 /nfs/dbraw/zinc/31/74/86/500317486.db2.gz LLRZDNKDMQSQIO-OAHLLOKOSA-N -1 1 374.393 3.226 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000427895516 500443400 /nfs/dbraw/zinc/44/34/00/500443400.db2.gz LWNQNQQNIHLWBI-UHFFFAOYSA-N -1 1 370.340 3.115 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1Br ZINC000438788891 500820257 /nfs/dbraw/zinc/82/02/57/500820257.db2.gz ZFYYNIYZCNZXAU-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445012421 500932552 /nfs/dbraw/zinc/93/25/52/500932552.db2.gz YVRZFKFMOTYMTC-NSHDSACASA-N -1 1 368.176 3.420 20 5 FGBDMM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445010760 500932569 /nfs/dbraw/zinc/93/25/69/500932569.db2.gz OMUMMFVUXQTOKF-LJQANCHMSA-N -1 1 355.394 3.180 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1CCc1ccccc1 ZINC000445139305 500948497 /nfs/dbraw/zinc/94/84/97/500948497.db2.gz VRNOGHNSGJLBQR-INIZCTEOSA-N -1 1 355.394 3.323 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)s1 ZINC000435594084 500998259 /nfs/dbraw/zinc/99/82/59/500998259.db2.gz PYGDPOFSVDOVPB-OTCDBFHCSA-N -1 1 374.390 3.159 20 5 FGBDMM O=C(c1ccc2ccccc2c1[O-])N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000436617284 501170950 /nfs/dbraw/zinc/17/09/50/501170950.db2.gz NLQCFFGRBXPJTQ-UHFFFAOYSA-N -1 1 364.357 3.488 20 5 FGBDMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000436726355 501197828 /nfs/dbraw/zinc/19/78/28/501197828.db2.gz UHMBVNQZFYBNLF-UHFFFAOYSA-N -1 1 358.350 3.003 20 5 FGBDMM COC(=O)c1cc([N-]S(=O)(=O)CCC2CCCC2)c(C)c([N+](=O)[O-])c1 ZINC000451014477 501239212 /nfs/dbraw/zinc/23/92/12/501239212.db2.gz MBEJQALXYILCBG-UHFFFAOYSA-N -1 1 370.427 3.012 20 5 FGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000451027198 501240137 /nfs/dbraw/zinc/24/01/37/501240137.db2.gz ALKBSGVWMIQNOK-UHFFFAOYSA-N -1 1 360.741 3.176 20 5 FGBDMM O=C(N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000457100853 501651024 /nfs/dbraw/zinc/65/10/24/501651024.db2.gz WEBAFGQGDXRRJU-SMDDNHRTSA-N -1 1 361.785 3.415 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000474436113 501836236 /nfs/dbraw/zinc/83/62/36/501836236.db2.gz UURFEJZZLGQNKI-UHFFFAOYSA-N -1 1 364.427 3.475 20 5 FGBDMM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471125090 501928447 /nfs/dbraw/zinc/92/84/47/501928447.db2.gz OBTFODNNHUFQRF-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM COc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc([N+](=O)[O-])c1C ZINC000483840750 502504678 /nfs/dbraw/zinc/50/46/78/502504678.db2.gz VWOCHOZPFAJXSB-UHFFFAOYSA-N -1 1 368.349 3.260 20 5 FGBDMM CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc21 ZINC000476501314 502506147 /nfs/dbraw/zinc/50/61/47/502506147.db2.gz XIIGQWAASKVFCB-UHFFFAOYSA-N -1 1 360.395 3.326 20 5 FGBDMM CCOC(=O)c1c2c(sc1NC(=O)c1ccc([N+](=O)[O-])[n-]1)CCCC2 ZINC000480328263 502538977 /nfs/dbraw/zinc/53/89/77/502538977.db2.gz OLXQZEUIVQQPAI-UHFFFAOYSA-N -1 1 363.395 3.292 20 5 FGBDMM O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484728197 502722558 /nfs/dbraw/zinc/72/25/58/502722558.db2.gz NLYVRNXHQGQPTK-GOEBONIOSA-N -1 1 355.394 3.227 20 5 FGBDMM O=C(N[C@H]1CCCC[C@@H]1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484728199 502722774 /nfs/dbraw/zinc/72/27/74/502722774.db2.gz NLYVRNXHQGQPTK-ZBFHGGJFSA-N -1 1 355.394 3.227 20 5 FGBDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)OCO2 ZINC000510104549 503050493 /nfs/dbraw/zinc/05/04/93/503050493.db2.gz KFELWKBJYIYGEJ-UHFFFAOYSA-N -1 1 364.379 3.050 20 5 FGBDMM CC(C)([N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000490468976 503179330 /nfs/dbraw/zinc/17/93/30/503179330.db2.gz JLFSZYWYZQVREC-UHFFFAOYSA-N -1 1 356.350 3.087 20 5 FGBDMM CN(Cc1c(Cl)cccc1Cl)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000498918685 503293559 /nfs/dbraw/zinc/29/35/59/503293559.db2.gz LWHHDMQRYZOZIE-UHFFFAOYSA-N -1 1 356.165 3.274 20 5 FGBDMM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1cccc(C)c1 ZINC000494762826 503606150 /nfs/dbraw/zinc/60/61/50/503606150.db2.gz LMXXVMQWUYGBOM-GFCCVEGCSA-N -1 1 370.452 3.101 20 5 FGBDMM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000546884999 503915027 /nfs/dbraw/zinc/91/50/27/503915027.db2.gz MDVTXZSEBBAERL-SSDOTTSWSA-N -1 1 360.741 3.258 20 5 FGBDMM COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c(Cl)c1OC ZINC000547070115 503973700 /nfs/dbraw/zinc/97/37/00/503973700.db2.gz CLBWPFIPTBQEPU-UHFFFAOYSA-N -1 1 364.745 3.234 20 5 FGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000534207028 504070664 /nfs/dbraw/zinc/07/06/64/504070664.db2.gz LWFKRAOWEKWMRC-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1C ZINC000518860249 504080361 /nfs/dbraw/zinc/08/03/61/504080361.db2.gz WLGMXMMLKNRJPY-UHFFFAOYSA-N -1 1 363.439 3.332 20 5 FGBDMM CNc1ccc(C(=O)N=c2cc(-c3cc(C)ccc3F)[n-][nH]2)cc1[N+](=O)[O-] ZINC000547749750 504210339 /nfs/dbraw/zinc/21/03/39/504210339.db2.gz AZHKPMWIQXQZLA-UHFFFAOYSA-N -1 1 369.356 3.148 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c2cccnc12 ZINC000534942838 504287660 /nfs/dbraw/zinc/28/76/60/504287660.db2.gz PNJXKWZKOMJKLG-UHFFFAOYSA-N -1 1 373.390 3.261 20 5 FGBDMM CCc1noc(C)c1[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000535893310 504574763 /nfs/dbraw/zinc/57/47/63/504574763.db2.gz WHJUXNMESITATB-UHFFFAOYSA-N -1 1 354.160 3.468 20 5 FGBDMM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000542753557 504596357 /nfs/dbraw/zinc/59/63/57/504596357.db2.gz GYXGINGFYOIRDN-NSHDSACASA-N -1 1 354.350 3.240 20 5 FGBDMM COc1cc(C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000553063722 504817602 /nfs/dbraw/zinc/81/76/02/504817602.db2.gz LTMUZGFXPPHBII-UHFFFAOYSA-N -1 1 364.785 3.277 20 5 FGBDMM Cc1ccc(NCCCN=c2nc(C(F)(F)F)[n-]s2)c([N+](=O)[O-])c1 ZINC000553082050 504822597 /nfs/dbraw/zinc/82/25/97/504822597.db2.gz OKBFGDDWVFCULL-UHFFFAOYSA-N -1 1 361.349 3.110 20 5 FGBDMM Cc1cc(Br)c(O)c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000556971736 505035338 /nfs/dbraw/zinc/03/53/38/505035338.db2.gz IGQUGGGUQJKBBW-UHFFFAOYSA-N -1 1 367.155 3.329 20 5 FGBDMM CCOc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1C ZINC000550873372 505117060 /nfs/dbraw/zinc/11/70/60/505117060.db2.gz BCCXZNGLCLRZSF-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000554932209 505302245 /nfs/dbraw/zinc/30/22/45/505302245.db2.gz IBPGXALWXNORTM-ZETCQYMHSA-N -1 1 370.337 3.147 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(CO)(Cc2ccccc2)CC1 ZINC000566927543 505313633 /nfs/dbraw/zinc/31/36/33/505313633.db2.gz GBMCCSWHWUVULR-UHFFFAOYSA-N -1 1 356.422 3.118 20 5 FGBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCc2ccc(Cl)cc21 ZINC000593814846 506786475 /nfs/dbraw/zinc/78/64/75/506786475.db2.gz USOJJBIAZLTGFQ-JTQLQIEISA-N -1 1 361.785 3.151 20 5 FGBDMM CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000609197465 506809971 /nfs/dbraw/zinc/80/99/71/506809971.db2.gz RPMLWXWZXFKDAV-CYBMUJFWSA-N -1 1 369.830 3.463 20 5 FGBDMM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609543509 506916452 /nfs/dbraw/zinc/91/64/52/506916452.db2.gz PBNLRHQYUGCJEJ-ZUZCIYMTSA-N -1 1 366.826 3.460 20 5 FGBDMM O=c1[n-]nc([C@H]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)o1 ZINC000585701986 507598498 /nfs/dbraw/zinc/59/84/98/507598498.db2.gz QFLOZULOELIRHQ-QMMMGPOBSA-N -1 1 358.276 3.086 20 5 FGBDMM O=C(Cc1[nH]nc2ccccc21)N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1 ZINC000493323955 561455394 /nfs/dbraw/zinc/45/53/94/561455394.db2.gz UULNLSDYZOCCOY-UHFFFAOYSA-N -1 1 362.349 3.042 20 5 FGBDMM C[C@@H](OCCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824732059 607449625 /nfs/dbraw/zinc/44/96/25/607449625.db2.gz ZQSXCYJQGARRMW-CYBMUJFWSA-N -1 1 368.397 3.355 20 5 FGBDMM C[C@@H](OCCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824732059 607449626 /nfs/dbraw/zinc/44/96/26/607449626.db2.gz ZQSXCYJQGARRMW-CYBMUJFWSA-N -1 1 368.397 3.355 20 5 FGBDMM CC(C)(C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000833412089 605060127 /nfs/dbraw/zinc/06/01/27/605060127.db2.gz VGJYLGGXDHPODM-UHFFFAOYSA-N -1 1 368.349 3.086 20 5 FGBDMM CC(C)(C)c1ccc2c(c1)CCN2c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000819958522 606704160 /nfs/dbraw/zinc/70/41/60/606704160.db2.gz NPYCCHJYAMWOQL-UHFFFAOYSA-N -1 1 365.397 3.162 20 5 FGBDMM CC(C)(C)c1ccc2c(c1)CCN2c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000819958522 606704162 /nfs/dbraw/zinc/70/41/62/606704162.db2.gz NPYCCHJYAMWOQL-UHFFFAOYSA-N -1 1 365.397 3.162 20 5 FGBDMM CCCCN(C)c1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821061132 606709140 /nfs/dbraw/zinc/70/91/40/606709140.db2.gz NLBGQBWMWXSFBI-UHFFFAOYSA-N -1 1 368.401 3.150 20 5 FGBDMM CCCCN(C)c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821061132 606709141 /nfs/dbraw/zinc/70/91/41/606709141.db2.gz NLBGQBWMWXSFBI-UHFFFAOYSA-N -1 1 368.401 3.150 20 5 FGBDMM Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000007357295 695567348 /nfs/dbraw/zinc/56/73/48/695567348.db2.gz SPBOCWAXHWDPMP-UHFFFAOYSA-N -1 1 362.194 3.285 20 5 FGBDMM Cc1c(C(=O)[N-]c2c(F)cc(F)cc2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000072506020 695960406 /nfs/dbraw/zinc/96/04/06/695960406.db2.gz YKMCGAYMCXPGGT-UHFFFAOYSA-N -1 1 355.228 3.481 20 5 FGBDMM C[C@H]1C[C@H](C(=O)[O-])CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000263066166 713735401 /nfs/dbraw/zinc/73/54/01/713735401.db2.gz OAQHRTUDLUZGKC-AAEUAGOBSA-N -1 1 361.423 3.261 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000525020395 714315866 /nfs/dbraw/zinc/31/58/66/714315866.db2.gz BSXSAZAPZRZXLQ-UHFFFAOYSA-N -1 1 350.396 3.491 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000726602086 722436390 /nfs/dbraw/zinc/43/63/90/722436390.db2.gz XLDVEZSYOQBUON-UHFFFAOYSA-N -1 1 352.799 3.216 20 5 FGBDMM C[C@@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000732226826 722482775 /nfs/dbraw/zinc/48/27/75/722482775.db2.gz BQUOAJVVFZVSRS-HWPZZCPQSA-N -1 1 366.826 3.460 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c([C@@H](C)O)c1 ZINC000795381508 723586947 /nfs/dbraw/zinc/58/69/47/723586947.db2.gz QNDUDVADBCMEHT-SNVBAGLBSA-N -1 1 368.386 3.150 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1cccc(O)c1 ZINC000795858078 723611831 /nfs/dbraw/zinc/61/18/31/723611831.db2.gz YLVODCOZFMMAGZ-QMMMGPOBSA-N -1 1 374.777 3.132 20 5 FGBDMM COc1ccc([C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000768800145 723667583 /nfs/dbraw/zinc/66/75/83/723667583.db2.gz YQZKFEPMBKDDCX-OAHLLOKOSA-N -1 1 370.452 3.341 20 5 FGBDMM CCc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768837925 723668863 /nfs/dbraw/zinc/66/88/63/723668863.db2.gz HIIQYTSIUMTVRL-CYBMUJFWSA-N -1 1 368.436 3.021 20 5 FGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000800052238 724136433 /nfs/dbraw/zinc/13/64/33/724136433.db2.gz MTTDHOPYFFAGIR-UHFFFAOYSA-N -1 1 360.313 3.262 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC2CCC2)c(Cl)cc1Cl ZINC000809826246 725271375 /nfs/dbraw/zinc/27/13/75/725271375.db2.gz XHSGUXGJOWIKFC-UHFFFAOYSA-N -1 1 353.227 3.370 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000815043943 727025368 /nfs/dbraw/zinc/02/53/68/727025368.db2.gz WSKFQYUFHGKDLU-ZETCQYMHSA-N -1 1 364.807 3.488 20 5 FGBDMM CSC1(C[N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000831307774 729631860 /nfs/dbraw/zinc/63/18/60/729631860.db2.gz FHKWRXPBWIDTEU-UHFFFAOYSA-N -1 1 371.267 3.076 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCc2c(F)cccc21 ZINC000831675280 729660398 /nfs/dbraw/zinc/66/03/98/729660398.db2.gz ZKQSMWWJUUXWMX-CQSZACIVSA-N -1 1 368.361 3.229 20 5 FGBDMM O=C([O-])c1cnc([C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)s1 ZINC000905749351 744052181 /nfs/dbraw/zinc/05/21/81/744052181.db2.gz LHDHZDNKRWZWDH-LQPUYASZSA-N -1 1 359.407 3.252 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCc2ccccc21 ZINC000918192186 758313949 /nfs/dbraw/zinc/31/39/49/758313949.db2.gz PSVBHHPJOBBWAG-ZDUSSCGKSA-N -1 1 364.398 3.132 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1[N+](=O)[O-] ZINC000006206101 493954999 /nfs/dbraw/zinc/95/49/99/493954999.db2.gz OPEGVLMIMPMNGX-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] ZINC000006328607 493959526 /nfs/dbraw/zinc/95/95/26/493959526.db2.gz BFIYGDHKBDFYRF-UHFFFAOYSA-N -1 1 358.322 3.305 20 5 FGBDMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000032591968 493998044 /nfs/dbraw/zinc/99/80/44/493998044.db2.gz IAEHZGDRLBRKSI-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000007417193 494021307 /nfs/dbraw/zinc/02/13/07/494021307.db2.gz GDSXNDFBXWEHDQ-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000073381458 494365567 /nfs/dbraw/zinc/36/55/67/494365567.db2.gz YBWOVXSAUUMQBR-UHFFFAOYSA-N -1 1 354.362 3.036 20 5 FGBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000125974015 494592359 /nfs/dbraw/zinc/59/23/59/494592359.db2.gz XHQIEMGRSRWUBR-UHFFFAOYSA-N -1 1 369.284 3.266 20 5 FGBDMM CSc1cccc(C(=O)[N-]c2nnc(-c3ccccn3)s2)c1[N+](=O)[O-] ZINC000186172152 495883642 /nfs/dbraw/zinc/88/36/42/495883642.db2.gz IFLNKJNDKDQFJY-UHFFFAOYSA-N -1 1 373.419 3.483 20 5 FGBDMM COC(=O)c1cc([N-]C(=O)c2c(F)ccc(F)c2F)cc([N+](=O)[O-])c1 ZINC000186686499 496107652 /nfs/dbraw/zinc/10/76/52/496107652.db2.gz YBGRUTYPOPHQSX-UHFFFAOYSA-N -1 1 354.240 3.051 20 5 FGBDMM COCc1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000174998236 496201162 /nfs/dbraw/zinc/20/11/62/496201162.db2.gz RZMQBDKRQWUQIA-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000187158567 496317987 /nfs/dbraw/zinc/31/79/87/496317987.db2.gz BZNJQOHYWZYYRG-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1nccs1 ZINC000189982167 497314678 /nfs/dbraw/zinc/31/46/78/497314678.db2.gz DNDPAJSGANXSEW-NSHDSACASA-N -1 1 355.441 3.098 20 5 FGBDMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000190399276 497464375 /nfs/dbraw/zinc/46/43/75/497464375.db2.gz YRUBVLJZHDNJPU-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n[nH]1 ZINC000194645730 497728201 /nfs/dbraw/zinc/72/82/01/497728201.db2.gz DVAWYTDTALCXLO-UHFFFAOYSA-N -1 1 374.378 3.219 20 5 FGBDMM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000294181645 498613018 /nfs/dbraw/zinc/61/30/18/498613018.db2.gz NHQJVWXPEPRKLO-UHFFFAOYSA-N -1 1 374.378 3.339 20 5 FGBDMM COc1cc(C(=O)[N-]c2nnc(CC(C)C)s2)c([N+](=O)[O-])cc1F ZINC000294421750 498689242 /nfs/dbraw/zinc/68/92/42/498689242.db2.gz FZPJZCSXPNYHAT-UHFFFAOYSA-N -1 1 354.363 3.045 20 5 FGBDMM Cc1ccc(I)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000305680196 498735548 /nfs/dbraw/zinc/73/55/48/498735548.db2.gz XQYYCKHPTXFTMW-UHFFFAOYSA-N -1 1 371.134 3.088 20 5 FGBDMM COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000298843023 498893829 /nfs/dbraw/zinc/89/38/29/498893829.db2.gz IOTYGTCNXCRRFI-UHFFFAOYSA-N -1 1 373.287 3.219 20 5 FGBDMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368422170 499294306 /nfs/dbraw/zinc/29/43/06/499294306.db2.gz LMVKGMWTRYYREP-OAHLLOKOSA-N -1 1 366.377 3.127 20 5 FGBDMM CCOc1ccccc1C1=CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000375709897 499547919 /nfs/dbraw/zinc/54/79/19/499547919.db2.gz CMYIDYZSAJJPAY-UHFFFAOYSA-N -1 1 369.377 3.024 20 5 FGBDMM CCC(C)(C)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000428408984 500506811 /nfs/dbraw/zinc/50/68/11/500506811.db2.gz ZRKIXJUMOJAQLK-UHFFFAOYSA-N -1 1 365.249 3.072 20 5 FGBDMM Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444959553 500925819 /nfs/dbraw/zinc/92/58/19/500925819.db2.gz NGWATMZIYBJNSQ-HOTGVXAUSA-N -1 1 355.394 3.412 20 5 FGBDMM CO[C@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 ZINC000450967003 501235725 /nfs/dbraw/zinc/23/57/25/501235725.db2.gz KMNUSTVRQFVTEE-QGZVFWFLSA-N -1 1 364.423 3.341 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1OC ZINC000481978157 501933291 /nfs/dbraw/zinc/93/32/91/501933291.db2.gz BYMXJAIBXJUEBQ-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM O=C(NCc1ccc(-c2ccco2)cc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000468390541 502044255 /nfs/dbraw/zinc/04/42/55/502044255.db2.gz XGEABWHDUOKJCP-UHFFFAOYSA-N -1 1 357.297 3.025 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)cc1C ZINC000478678285 502054724 /nfs/dbraw/zinc/05/47/24/502054724.db2.gz UQSXVEXPYICGAN-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM CCc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1C ZINC000488261630 502672250 /nfs/dbraw/zinc/67/22/50/502672250.db2.gz FBAJEJXUGWLSGH-UHFFFAOYSA-N -1 1 368.386 3.414 20 5 FGBDMM Cc1sc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000466961397 502739464 /nfs/dbraw/zinc/73/94/64/502739464.db2.gz JZCNKWWXYCYHKY-UHFFFAOYSA-N -1 1 364.408 3.156 20 5 FGBDMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[nH]c2c1 ZINC000506178169 503063741 /nfs/dbraw/zinc/06/37/41/503063741.db2.gz OXFSFFNCUAKDQG-KRWDZBQOSA-N -1 1 366.377 3.462 20 5 FGBDMM CC(C)([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000490470818 503179439 /nfs/dbraw/zinc/17/94/39/503179439.db2.gz PWWWTQBKYZLMPD-UHFFFAOYSA-N -1 1 374.340 3.226 20 5 FGBDMM CCOc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000491653587 503325937 /nfs/dbraw/zinc/32/59/37/503325937.db2.gz FVJNZNRMTWRFGM-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1coc2ccccc12 ZINC000512150674 503470975 /nfs/dbraw/zinc/47/09/75/503470975.db2.gz ZPZAYKXCDJOOBZ-UHFFFAOYSA-N -1 1 366.782 3.473 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]c1-c1ccccc1 ZINC000536898864 503754456 /nfs/dbraw/zinc/75/44/56/503754456.db2.gz AGKRNXBGPXNYRV-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)c1 ZINC000543636770 503836382 /nfs/dbraw/zinc/83/63/82/503836382.db2.gz KBMIDWPHAIKWMA-UHFFFAOYSA-N -1 1 374.378 3.062 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc12 ZINC000537651230 503991760 /nfs/dbraw/zinc/99/17/60/503991760.db2.gz FVFKRMGIOCPGEF-UHFFFAOYSA-N -1 1 366.786 3.234 20 5 FGBDMM O=C([N-]c1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000518472110 503995024 /nfs/dbraw/zinc/99/50/24/503995024.db2.gz YMBNIMPTAGHMAC-UHFFFAOYSA-N -1 1 361.720 3.425 20 5 FGBDMM COc1cc(Br)ccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000519676268 504298053 /nfs/dbraw/zinc/29/80/53/504298053.db2.gz LJQBCEMERYVPBN-UHFFFAOYSA-N -1 1 365.143 3.411 20 5 FGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000538753445 504358920 /nfs/dbraw/zinc/35/89/20/504358920.db2.gz OGKSEKMXVSQRQP-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM CC(C)c1ccc(C[C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000535753320 504531746 /nfs/dbraw/zinc/53/17/46/504531746.db2.gz VHBIXMVIZGYYSX-ZDUSSCGKSA-N -1 1 363.439 3.023 20 5 FGBDMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)n1 ZINC000564593395 505463942 /nfs/dbraw/zinc/46/39/42/505463942.db2.gz KATSDVLTKNZPLL-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(F)c1 ZINC000552733248 505545505 /nfs/dbraw/zinc/54/55/05/505545505.db2.gz KBOIAMMNCNEEDH-AAEUAGOBSA-N -1 1 370.789 3.222 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000589186975 506475318 /nfs/dbraw/zinc/47/53/18/506475318.db2.gz NQQPGFKPTHAHJP-HBFSDRIKSA-N -1 1 354.406 3.305 20 5 FGBDMM COc1ccc(-c2ccc(CN3[C@@H](C)CC[C@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000593333512 506549748 /nfs/dbraw/zinc/54/97/48/506549748.db2.gz SKEFJJXOWWTQEX-NHYWBVRUSA-N -1 1 360.366 3.301 20 5 FGBDMM COCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598712083 507564093 /nfs/dbraw/zinc/56/40/93/507564093.db2.gz YENUGOFQLZBSFE-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM O=[N+]([O-])c1cnc(Sc2ccc(F)c(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000823651937 599285842 /nfs/dbraw/zinc/28/58/42/599285842.db2.gz SCFALIFTSMNWNJ-UHFFFAOYSA-N -1 1 352.738 3.114 20 5 FGBDMM CN(C)[C@@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000830584869 602250422 /nfs/dbraw/zinc/25/04/22/602250422.db2.gz FGTYRZQVXNTLBG-ZDUSSCGKSA-N -1 1 353.762 3.254 20 5 FGBDMM O=C([O-])Nc1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000740717499 602653973 /nfs/dbraw/zinc/65/39/73/602653973.db2.gz WJBRVCSXAOMSLG-UHFFFAOYSA-N -1 1 371.758 3.139 20 5 FGBDMM COc1ccc([C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000832253159 604788526 /nfs/dbraw/zinc/78/85/26/604788526.db2.gz VICGFHWEWPDINR-HNNXBMFYSA-N -1 1 350.758 3.172 20 5 FGBDMM C[C@H]1CC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2ccccc21 ZINC000824916525 607738843 /nfs/dbraw/zinc/73/88/43/607738843.db2.gz KIBGNBOVMZULMA-IINYFYTJSA-N -1 1 351.370 3.220 20 5 FGBDMM C[C@H]1CC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c2ccccc21 ZINC000824916525 607738844 /nfs/dbraw/zinc/73/88/44/607738844.db2.gz KIBGNBOVMZULMA-IINYFYTJSA-N -1 1 351.370 3.220 20 5 FGBDMM O=[N+]([O-])c1cc(N2CCC(Cc3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000823634729 606644586 /nfs/dbraw/zinc/64/45/86/606644586.db2.gz KVTPWMHTAHWOGD-UHFFFAOYSA-N -1 1 364.409 3.234 20 5 FGBDMM COc1ccc(C)cc1[C@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821782171 606644867 /nfs/dbraw/zinc/64/48/67/606644867.db2.gz AYQCXUBJDQCSFC-NSHDSACASA-N -1 1 354.370 3.265 20 5 FGBDMM CC(C)Oc1cccc([C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820178477 607168511 /nfs/dbraw/zinc/16/85/11/607168511.db2.gz QUFRWEIARFMMOT-NSHDSACASA-N -1 1 369.385 3.130 20 5 FGBDMM CC(C)Oc1cccc([C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820178477 607168513 /nfs/dbraw/zinc/16/85/13/607168513.db2.gz QUFRWEIARFMMOT-NSHDSACASA-N -1 1 369.385 3.130 20 5 FGBDMM O=[N+]([O-])c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1OC(F)F ZINC000826499606 608193061 /nfs/dbraw/zinc/19/30/61/608193061.db2.gz PFSIGACWAZRRHA-UHFFFAOYSA-N -1 1 367.243 3.308 20 5 FGBDMM O=[N+]([O-])c1ccc(Oc2cccc(F)c2-c2nn[n-]n2)cc1OC(F)F ZINC000826499606 608193063 /nfs/dbraw/zinc/19/30/63/608193063.db2.gz PFSIGACWAZRRHA-UHFFFAOYSA-N -1 1 367.243 3.308 20 5 FGBDMM CC(C)c1ccc(C[C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000824459046 608306206 /nfs/dbraw/zinc/30/62/06/608306206.db2.gz YOBMWIQQIJTQRD-GFCCVEGCSA-N -1 1 367.413 3.336 20 5 FGBDMM CC(C)c1ccc(C[C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000824459046 608306208 /nfs/dbraw/zinc/30/62/08/608306208.db2.gz YOBMWIQQIJTQRD-GFCCVEGCSA-N -1 1 367.413 3.336 20 5 FGBDMM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175702244 705556491 /nfs/dbraw/zinc/55/64/91/705556491.db2.gz FSNSYSTZQNDTJU-RYUDHWBXSA-N -1 1 362.448 3.077 20 5 FGBDMM O=C(Nc1nc(Br)ccc1[O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000783911963 724803024 /nfs/dbraw/zinc/80/30/24/724803024.db2.gz UQMGVMRXGKAORT-UHFFFAOYSA-N -1 1 372.562 3.364 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1[N+](=O)[O-] ZINC000755005054 722949190 /nfs/dbraw/zinc/94/91/90/722949190.db2.gz NUAQNFNJLHSMCI-UHFFFAOYSA-N -1 1 365.367 3.229 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(C[N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000757347643 722976072 /nfs/dbraw/zinc/97/60/72/722976072.db2.gz FZHLDNPTJAACKO-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(Cl)n1 ZINC000760325069 723048847 /nfs/dbraw/zinc/04/88/47/723048847.db2.gz HGLDCHZLIHLUEQ-UHFFFAOYSA-N -1 1 371.802 3.069 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccsc1 ZINC000795973654 723615978 /nfs/dbraw/zinc/61/59/78/723615978.db2.gz YLXLRDLIJAKINE-ZETCQYMHSA-N -1 1 364.807 3.488 20 5 FGBDMM Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1 ZINC000777590013 724241904 /nfs/dbraw/zinc/24/19/04/724241904.db2.gz AGBBGGRDMKKQCY-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc(Cl)o2)cc1Cl ZINC000809806462 725269618 /nfs/dbraw/zinc/26/96/18/725269618.db2.gz NUGXWHATHWSJGE-UHFFFAOYSA-N -1 1 369.157 3.112 20 5 FGBDMM Cc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814979432 727016572 /nfs/dbraw/zinc/01/65/72/727016572.db2.gz NRTLYYMGQQDDFB-UHFFFAOYSA-N -1 1 358.778 3.174 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCC(F)CC1 ZINC000828278246 729441848 /nfs/dbraw/zinc/44/18/48/729441848.db2.gz RXWMHGUWIWQRIN-UHFFFAOYSA-N -1 1 350.799 3.055 20 5 FGBDMM CSCCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830558165 729571117 /nfs/dbraw/zinc/57/11/17/729571117.db2.gz NIPVIEWZSSPSAM-UHFFFAOYSA-N -1 1 373.283 3.323 20 5 FGBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C2CCOCC2)s1 ZINC000843896338 730664385 /nfs/dbraw/zinc/66/43/85/730664385.db2.gz CPIAFAWIQKEQCH-UHFFFAOYSA-N -1 1 366.374 3.040 20 5 FGBDMM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000845979535 730914930 /nfs/dbraw/zinc/91/49/30/730914930.db2.gz HVWVPZUIYPCNNF-NEPJUHHUSA-N -1 1 371.217 3.231 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)c(C)c1[N+](=O)[O-] ZINC000857252072 732115718 /nfs/dbraw/zinc/11/57/18/732115718.db2.gz MKJODCCXWANIJZ-UHFFFAOYSA-N -1 1 363.439 3.387 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCC2)s1 ZINC000064244918 494109059 /nfs/dbraw/zinc/10/90/59/494109059.db2.gz VHAVHJHUMZMYIR-UHFFFAOYSA-N -1 1 352.437 3.057 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCc3ccccc32)s1 ZINC000064245197 494109629 /nfs/dbraw/zinc/10/96/29/494109629.db2.gz KEMPDNMXSUFEAL-GFCCVEGCSA-N -1 1 352.437 3.055 20 5 FGBDMM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016122627 494378784 /nfs/dbraw/zinc/37/87/84/494378784.db2.gz BJCLHEQLYIZQJT-UHFFFAOYSA-N -1 1 361.423 3.304 20 5 FGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1[N+](=O)[O-] ZINC000026543869 494831931 /nfs/dbraw/zinc/83/19/31/494831931.db2.gz DUXCJQCUUILZRO-UHFFFAOYSA-N -1 1 368.798 3.292 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1C ZINC000126827603 494844667 /nfs/dbraw/zinc/84/46/67/494844667.db2.gz YIQUWJYNWUVVPX-UHFFFAOYSA-N -1 1 364.427 3.393 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000126837074 494847106 /nfs/dbraw/zinc/84/71/06/494847106.db2.gz YRKRXSRPLUOXPF-UHFFFAOYSA-N -1 1 350.400 3.085 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])ccc12 ZINC000093909367 494934187 /nfs/dbraw/zinc/93/41/87/494934187.db2.gz RTHZAFCILRSXKD-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM O=C([O-])Cc1ccc(NC[C@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000574403857 505765451 /nfs/dbraw/zinc/76/54/51/505765451.db2.gz KLHPPOMGIXABRP-MRXNPFEDSA-N -1 1 359.382 3.064 20 5 FGBDMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ccc(F)cc1[N+](=O)[O-] ZINC000129234971 495215472 /nfs/dbraw/zinc/21/54/72/495215472.db2.gz RXTZLZGODADCDK-UHFFFAOYSA-N -1 1 358.354 3.429 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)c([N+](=O)[O-])c1 ZINC000131014500 495479654 /nfs/dbraw/zinc/47/96/54/495479654.db2.gz DUYKFMSQVFICTK-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM CC[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000185783479 495724162 /nfs/dbraw/zinc/72/41/62/495724162.db2.gz NHXNOTZWVXSAQV-BBRMVZONSA-N -1 1 355.394 3.351 20 5 FGBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000182903031 495748895 /nfs/dbraw/zinc/74/88/95/495748895.db2.gz CZBJKORLEILWPX-UHFFFAOYSA-N -1 1 366.171 3.327 20 5 FGBDMM COc1cc(C(=O)Nc2ccc(Br)cc2[O-])ccc1[N+](=O)[O-] ZINC000160139261 495893648 /nfs/dbraw/zinc/89/36/48/495893648.db2.gz FPPGNYPLTIJYPA-UHFFFAOYSA-N -1 1 367.155 3.324 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1F ZINC000187072397 496280077 /nfs/dbraw/zinc/28/00/77/496280077.db2.gz MSHMMLNGHAOZMB-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])cc3[O-])[nH]c2c1 ZINC000184306268 496329275 /nfs/dbraw/zinc/32/92/75/496329275.db2.gz SZUKTLUEXNKIKD-INIZCTEOSA-N -1 1 366.377 3.462 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c(C)c1F ZINC000181350231 496363484 /nfs/dbraw/zinc/36/34/84/496363484.db2.gz VLIKZSGEAPUTAY-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM CSc1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000153342902 496425197 /nfs/dbraw/zinc/42/51/97/496425197.db2.gz SAGLBQJJJYUVSY-UHFFFAOYSA-N -1 1 364.330 3.439 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000187545032 496485101 /nfs/dbraw/zinc/48/51/01/496485101.db2.gz SHRXBVFTXPHJLR-GFCCVEGCSA-N -1 1 370.390 3.282 20 5 FGBDMM CCc1nc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000569120427 505858039 /nfs/dbraw/zinc/85/80/39/505858039.db2.gz HACUVKGOTYAONH-JTQLQIEISA-N -1 1 362.411 3.081 20 5 FGBDMM COC(=O)c1c[n-]c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000189436398 497117627 /nfs/dbraw/zinc/11/76/27/497117627.db2.gz UYXUKLMVXXNAEQ-UHFFFAOYSA-N -1 1 360.351 3.052 20 5 FGBDMM O=C(Nc1ccc2c(c1)N(CC(F)F)CCS2)c1ccc([N+](=O)[O-])[n-]1 ZINC000576059791 506066791 /nfs/dbraw/zinc/06/67/91/506066791.db2.gz RTLHTRBHNOZMTM-UHFFFAOYSA-N -1 1 368.365 3.352 20 5 FGBDMM O=C(c1nc[n-]c1-c1nc(-c2ccc([N+](=O)[O-])s2)no1)c1ccccc1 ZINC000576383938 506144812 /nfs/dbraw/zinc/14/48/12/506144812.db2.gz CZCZFYUOXYDTDM-UHFFFAOYSA-N -1 1 367.346 3.327 20 5 FGBDMM C[C@]1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000397974208 499565869 /nfs/dbraw/zinc/56/58/69/499565869.db2.gz JZMQRPVSGRYIEB-HXUWFJFHSA-N -1 1 369.421 3.085 20 5 FGBDMM COc1ccc(Cl)cc1C(C)(C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000425031086 499999253 /nfs/dbraw/zinc/99/92/53/499999253.db2.gz RLQAUIIBPMIERV-UHFFFAOYSA-N -1 1 365.773 3.023 20 5 FGBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(F)(F)F ZINC000416594863 500069805 /nfs/dbraw/zinc/06/98/05/500069805.db2.gz DTWWOGMQNFVWJY-SSDOTTSWSA-N -1 1 360.741 3.115 20 5 FGBDMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000437312768 500628808 /nfs/dbraw/zinc/62/88/08/500628808.db2.gz CAOZDDPDHMWZMU-JOYOIKCWSA-N -1 1 368.176 3.288 20 5 FGBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Br)s1 ZINC000444891253 500918432 /nfs/dbraw/zinc/91/84/32/500918432.db2.gz ZRPMQLUQMQNLRQ-LURJTMIESA-N -1 1 372.200 3.010 20 5 FGBDMM Cc1ccccc1O[C@@H]1CCCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444970220 500927458 /nfs/dbraw/zinc/92/74/58/500927458.db2.gz ULSDYYHKVAEAMM-WMLDXEAASA-N -1 1 371.393 3.124 20 5 FGBDMM O=C(Nc1ccc2c(c1)CN(CC(F)(F)F)C2)c1ccc([N+](=O)[O-])[n-]1 ZINC000457335192 501683668 /nfs/dbraw/zinc/68/36/68/501683668.db2.gz WMQWSRZNJWUWNM-UHFFFAOYSA-N -1 1 354.288 3.053 20 5 FGBDMM O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000485386091 501804933 /nfs/dbraw/zinc/80/49/33/501804933.db2.gz YWLQLAFVLOZCNO-INIZCTEOSA-N -1 1 359.357 3.496 20 5 FGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000474431315 501833911 /nfs/dbraw/zinc/83/39/11/501833911.db2.gz HEBSWVAQCMSIKK-UHFFFAOYSA-N -1 1 364.427 3.475 20 5 FGBDMM CCCOc1ccc(C(C)(C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000478519045 502006952 /nfs/dbraw/zinc/00/69/52/502006952.db2.gz SHSJIEYZTXHGGM-UHFFFAOYSA-N -1 1 359.382 3.149 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2csc3ccccc23)ccc1[O-] ZINC000484045168 502556490 /nfs/dbraw/zinc/55/64/90/502556490.db2.gz QHAWXJUNJRKCFR-UHFFFAOYSA-N -1 1 350.377 3.316 20 5 FGBDMM O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484278732 502613483 /nfs/dbraw/zinc/61/34/83/502613483.db2.gz UMUBFHIPDRHGGU-UHFFFAOYSA-N -1 1 361.785 3.201 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000480713408 502650533 /nfs/dbraw/zinc/65/05/33/502650533.db2.gz MARNTNRYLNUJLG-WCQYABFASA-N -1 1 370.427 3.410 20 5 FGBDMM COC1(C[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[O-])CCC1 ZINC000593011354 506334302 /nfs/dbraw/zinc/33/43/02/506334302.db2.gz PNLHBZVZGWAVJD-INIZCTEOSA-N -1 1 374.393 3.357 20 5 FGBDMM CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488730385 502794197 /nfs/dbraw/zinc/79/41/97/502794197.db2.gz VIGTXEUTATWATJ-JTQLQIEISA-N -1 1 365.249 3.214 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cccc(SC)c2)cc1[N+](=O)[O-] ZINC000509212777 502850520 /nfs/dbraw/zinc/85/05/20/502850520.db2.gz SMCFAUVNWYOSRK-UHFFFAOYSA-N -1 1 354.409 3.126 20 5 FGBDMM O=C(C[C@@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000500874917 502883801 /nfs/dbraw/zinc/88/38/01/502883801.db2.gz UWWMOQCCAHTPTM-GFCCVEGCSA-N -1 1 354.366 3.470 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1C ZINC000509584915 502941141 /nfs/dbraw/zinc/94/11/41/502941141.db2.gz MPJQTUXZXDZOPI-UHFFFAOYSA-N -1 1 362.407 3.337 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)s1 ZINC000489992525 503084633 /nfs/dbraw/zinc/08/46/33/503084633.db2.gz HVCUEMOFYXPSSK-SECBINFHSA-N -1 1 354.400 3.150 20 5 FGBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000506597407 503140650 /nfs/dbraw/zinc/14/06/50/503140650.db2.gz YVJJPCYEUBVJGD-UHFFFAOYSA-N -1 1 367.427 3.439 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCC2)c(Cl)c1 ZINC000511359928 503306917 /nfs/dbraw/zinc/30/69/17/503306917.db2.gz MHSMAQBOHCHGIE-UHFFFAOYSA-N -1 1 372.752 3.259 20 5 FGBDMM CCCCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]n1 ZINC000493032172 503402280 /nfs/dbraw/zinc/40/22/80/503402280.db2.gz JPEYKLZMCHWMNE-UHFFFAOYSA-N -1 1 352.416 3.078 20 5 FGBDMM O=C(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000493943816 503463289 /nfs/dbraw/zinc/46/32/89/503463289.db2.gz FQERPBKVTJKVHS-UHFFFAOYSA-N -1 1 367.152 3.063 20 5 FGBDMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000536701572 503688661 /nfs/dbraw/zinc/68/86/61/503688661.db2.gz OCKKJNVOFPZPKL-UHFFFAOYSA-N -1 1 350.396 3.493 20 5 FGBDMM Cc1nc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)[n-]c(=O)c1C ZINC000537414829 503908465 /nfs/dbraw/zinc/90/84/65/503908465.db2.gz VGMHVLQDRNFFJS-UHFFFAOYSA-N -1 1 359.367 3.050 20 5 FGBDMM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1c1ccccc1 ZINC000555377103 505420787 /nfs/dbraw/zinc/42/07/87/505420787.db2.gz YAIFIPXCDXVMDO-WFASDCNBSA-N -1 1 352.437 3.128 20 5 FGBDMM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000603878201 506645473 /nfs/dbraw/zinc/64/54/73/506645473.db2.gz AVGWZHIGWOVMNS-UHFFFAOYSA-N -1 1 367.365 3.131 20 5 FGBDMM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000604106061 506715400 /nfs/dbraw/zinc/71/54/00/506715400.db2.gz ZACOBFCFGHFNCE-BETUJISGSA-N -1 1 370.409 3.293 20 5 FGBDMM Cc1c(C(=O)[O-])cnn1C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000593752033 506761318 /nfs/dbraw/zinc/76/13/18/506761318.db2.gz KJJXZXYLRHVYBC-LBPRGKRZSA-N -1 1 358.398 3.196 20 5 FGBDMM O=C([O-])C=Cc1ccc(NCCc2nc3ccc(F)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000833197111 601246281 /nfs/dbraw/zinc/24/62/81/601246281.db2.gz JQUNOMVHNCBSGN-KXFIGUGUSA-N -1 1 370.340 3.363 20 5 FGBDMM O=C([O-])CCCN(Cc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000833226874 604765701 /nfs/dbraw/zinc/76/57/01/604765701.db2.gz PEDSHNFCZHVPOS-UHFFFAOYSA-N -1 1 368.393 3.269 20 5 FGBDMM Cc1cc(OC(C)C)ccc1Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822210507 606700106 /nfs/dbraw/zinc/70/01/06/606700106.db2.gz FKNDCIGRMMQYHS-UHFFFAOYSA-N -1 1 355.358 3.009 20 5 FGBDMM Cc1cc(OC(C)C)ccc1Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822210507 606700108 /nfs/dbraw/zinc/70/01/08/606700108.db2.gz FKNDCIGRMMQYHS-UHFFFAOYSA-N -1 1 355.358 3.009 20 5 FGBDMM CC(C)(C)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819958514 606702929 /nfs/dbraw/zinc/70/29/29/606702929.db2.gz NMYPDJLWBYKMMS-UHFFFAOYSA-N -1 1 353.386 3.080 20 5 FGBDMM CC(C)(C)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819958514 606702930 /nfs/dbraw/zinc/70/29/30/606702930.db2.gz NMYPDJLWBYKMMS-UHFFFAOYSA-N -1 1 353.386 3.080 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000823639748 606801509 /nfs/dbraw/zinc/80/15/09/606801509.db2.gz GYFRVYKOZUKZHE-UHFFFAOYSA-N -1 1 366.168 3.089 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000823639748 606801511 /nfs/dbraw/zinc/80/15/11/606801511.db2.gz GYFRVYKOZUKZHE-UHFFFAOYSA-N -1 1 366.168 3.089 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CC1 ZINC000047671439 695866202 /nfs/dbraw/zinc/86/62/02/695866202.db2.gz GEKWGLOCISIGCP-OAHLLOKOSA-N -1 1 350.371 3.164 20 5 FGBDMM Cc1c(C(=O)[N-]c2nnc(C(F)F)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000123109962 700700249 /nfs/dbraw/zinc/70/02/49/700700249.db2.gz FOVZONCHKAIPTD-UHFFFAOYSA-N -1 1 373.297 3.161 20 5 FGBDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC000159970101 705239398 /nfs/dbraw/zinc/23/93/98/705239398.db2.gz MYJKOTYZPFIHOZ-UHFFFAOYSA-N -1 1 358.807 3.115 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000175413224 705545975 /nfs/dbraw/zinc/54/59/75/705545975.db2.gz YANVSGGDUYSFMQ-NEPJUHHUSA-N -1 1 352.387 3.204 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000522752045 714204784 /nfs/dbraw/zinc/20/47/84/714204784.db2.gz PPVASGSQXNRLDW-LLVKDONJSA-N -1 1 370.839 3.374 20 5 FGBDMM CSc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725825615 722423719 /nfs/dbraw/zinc/42/37/19/722423719.db2.gz FBXCHLYTZHEBTA-UHFFFAOYSA-N -1 1 372.855 3.449 20 5 FGBDMM COc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1C ZINC000725827101 722424207 /nfs/dbraw/zinc/42/42/07/722424207.db2.gz LVFRMSVYKXXKEA-UHFFFAOYSA-N -1 1 370.814 3.044 20 5 FGBDMM CCN1CCc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc21 ZINC000728017049 722449501 /nfs/dbraw/zinc/44/95/01/722449501.db2.gz GXCUIYDJSHWCAP-UHFFFAOYSA-N -1 1 361.423 3.086 20 5 FGBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000736635632 722523974 /nfs/dbraw/zinc/52/39/74/722523974.db2.gz PMUSNBXVAGNKAD-HNNXBMFYSA-N -1 1 369.830 3.319 20 5 FGBDMM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742311262 722554973 /nfs/dbraw/zinc/55/49/73/722554973.db2.gz ALTQXAXPDPDHLK-HOTGVXAUSA-N -1 1 366.826 3.257 20 5 FGBDMM CCOc1ccc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000761074120 723119774 /nfs/dbraw/zinc/11/97/74/723119774.db2.gz QHGPUEJCTGDSGJ-UHFFFAOYSA-N -1 1 360.391 3.042 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1OC ZINC000768804694 723667682 /nfs/dbraw/zinc/66/76/82/723667682.db2.gz FZHNLYMDYSUAAQ-GFCCVEGCSA-N -1 1 356.425 3.095 20 5 FGBDMM C[C@@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768892405 723671375 /nfs/dbraw/zinc/67/13/75/723671375.db2.gz SDBZODSJDYDNSR-VIFPVBQESA-N -1 1 370.408 3.035 20 5 FGBDMM C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809815489 725270443 /nfs/dbraw/zinc/27/04/43/725270443.db2.gz ITXZJPLLPPCAPB-GMSGAONNSA-N -1 1 353.227 3.369 20 5 FGBDMM CC(C)CSCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809828686 725271464 /nfs/dbraw/zinc/27/14/64/725271464.db2.gz QESYRVVZANUVFK-UHFFFAOYSA-N -1 1 370.855 3.055 20 5 FGBDMM Cc1ccoc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000813744285 726910825 /nfs/dbraw/zinc/91/08/25/726910825.db2.gz GKVPSNAXUKKTRE-UHFFFAOYSA-N -1 1 365.194 3.282 20 5 FGBDMM Cc1csc([C@H](C)[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000848581739 731185624 /nfs/dbraw/zinc/18/56/24/731185624.db2.gz QEXQXUQKFZQAFY-VIFPVBQESA-N -1 1 357.338 3.209 20 5 FGBDMM Cc1cnc([C@@H](C)[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)s1 ZINC000848586742 731185900 /nfs/dbraw/zinc/18/59/00/731185900.db2.gz CXMISTSKLUTCBY-SECBINFHSA-N -1 1 357.338 3.209 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000849464488 731262919 /nfs/dbraw/zinc/26/29/19/731262919.db2.gz XCRRYHLDGVICHO-SECBINFHSA-N -1 1 353.227 3.369 20 5 FGBDMM O=C([O-])[C@@H]1CC12CCN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000901499649 743290822 /nfs/dbraw/zinc/29/08/22/743290822.db2.gz NYVIJVHFVVKXKT-LBPRGKRZSA-N -1 1 358.316 3.300 20 5 FGBDMM O=C([O-])CN(Cc1c(Br)cccc1[N+](=O)[O-])C1CCCC1 ZINC000903906660 743895218 /nfs/dbraw/zinc/89/52/18/743895218.db2.gz MUNWLHQQPCYODQ-UHFFFAOYSA-N -1 1 357.204 3.187 20 5 FGBDMM O=C(CSc1ccc(F)c(Cl)c1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000924798621 759395013 /nfs/dbraw/zinc/39/50/13/759395013.db2.gz ATQKADJJNJUINM-UHFFFAOYSA-N -1 1 368.773 3.436 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000030529897 493894763 /nfs/dbraw/zinc/89/47/63/493894763.db2.gz KDWXKUNYXRGOTB-UHFFFAOYSA-N -1 1 358.322 3.305 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000052798271 494062603 /nfs/dbraw/zinc/06/26/03/494062603.db2.gz MJIACUKVHKROLV-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)s1 ZINC000066327507 494312121 /nfs/dbraw/zinc/31/21/21/494312121.db2.gz UCLXJTGNSPHCQB-UHFFFAOYSA-N -1 1 366.342 3.154 20 5 FGBDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000055616604 494373446 /nfs/dbraw/zinc/37/34/46/494373446.db2.gz YGPMXYRVPCQGOV-UHFFFAOYSA-N -1 1 363.395 3.053 20 5 FGBDMM CC(C)n1c(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)n[n-]c1=S ZINC000066640109 494373750 /nfs/dbraw/zinc/37/37/50/494373750.db2.gz STLFYJCZUDRZSV-UHFFFAOYSA-N -1 1 355.807 3.013 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(O)c1C ZINC000067123984 494479320 /nfs/dbraw/zinc/47/93/20/494479320.db2.gz GYKAAJIXZQXGRG-UHFFFAOYSA-N -1 1 350.396 3.280 20 5 FGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(CC(C)(C)C)n[nH]1 ZINC000126781863 494837270 /nfs/dbraw/zinc/83/72/70/494837270.db2.gz PQTYZUNPJUWJTC-UHFFFAOYSA-N -1 1 352.416 3.016 20 5 FGBDMM COC(=O)c1cc([N-]C(=O)c2coc(-c3ccccc3)n2)cc([N+](=O)[O-])c1 ZINC000119276347 495132213 /nfs/dbraw/zinc/13/22/13/495132213.db2.gz WXSQZYNMZYDLBR-UHFFFAOYSA-N -1 1 367.317 3.289 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1C ZINC000574430701 505771352 /nfs/dbraw/zinc/77/13/52/505771352.db2.gz OSTZMEVTSALKRW-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM O=C(Nc1cc(F)ccc1[O-])c1ccc([N+](=O)[O-])cc1Br ZINC000174876828 496144574 /nfs/dbraw/zinc/14/45/74/496144574.db2.gz ZECCQEIEGXMYDP-UHFFFAOYSA-N -1 1 355.119 3.454 20 5 FGBDMM O=C(Nc1ccc(Cl)cc1[O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000153529382 496486759 /nfs/dbraw/zinc/48/67/59/496486759.db2.gz DFEQURAARRSVTK-UHFFFAOYSA-N -1 1 358.741 3.392 20 5 FGBDMM CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193737768 497463241 /nfs/dbraw/zinc/46/32/41/497463241.db2.gz RVXKAYHBINIADN-MRXNPFEDSA-N -1 1 357.410 3.487 20 5 FGBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000364454813 497966596 /nfs/dbraw/zinc/96/65/96/497966596.db2.gz QJMDDVSSQCRXPK-UHFFFAOYSA-N -1 1 360.391 3.097 20 5 FGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000330818455 498200039 /nfs/dbraw/zinc/20/00/39/498200039.db2.gz NQQDSEDJPYKBDY-QWRGUYRKSA-N -1 1 366.361 3.242 20 5 FGBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3ncsc3c2)s1 ZINC000302191889 498436454 /nfs/dbraw/zinc/43/64/54/498436454.db2.gz RICHGNIEUZHHOE-UHFFFAOYSA-N -1 1 355.422 3.413 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(C3CCOCC3)s2)c1F ZINC000297611029 498511508 /nfs/dbraw/zinc/51/15/08/498511508.db2.gz ARZJYGPWWDDHOA-UHFFFAOYSA-N -1 1 366.374 3.040 20 5 FGBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(-c2ccccc2)cs1 ZINC000303246498 498657681 /nfs/dbraw/zinc/65/76/81/498657681.db2.gz AETQRJVCRWWTHH-JTQLQIEISA-N -1 1 370.390 3.310 20 5 FGBDMM O=C(N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000412622050 499869869 /nfs/dbraw/zinc/86/98/69/499869869.db2.gz ZJGHVCFOICLDDO-FZMZJTMJSA-N -1 1 361.785 3.415 20 5 FGBDMM Cc1ccc2nc([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])[nH]c2c1 ZINC000427653067 500416863 /nfs/dbraw/zinc/41/68/63/500416863.db2.gz HCSGOLWNCPNCIF-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM COc1cc(C)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000447260849 500580748 /nfs/dbraw/zinc/58/07/48/500580748.db2.gz OQZFOQDDDUUYPX-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM COc1cccc2c(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])n[nH]c21 ZINC000436974257 500584545 /nfs/dbraw/zinc/58/45/45/500584545.db2.gz XIWVYQCFSBJYBS-UHFFFAOYSA-N -1 1 362.729 3.091 20 5 FGBDMM Cc1cc(OCC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1[N+](=O)[O-] ZINC000438239692 500757535 /nfs/dbraw/zinc/75/75/35/500757535.db2.gz RYAWJEKPKUAUIG-UHFFFAOYSA-N -1 1 368.349 3.016 20 5 FGBDMM COc1ccc2cc(CN(C)C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc2c1 ZINC000444824934 500907578 /nfs/dbraw/zinc/90/75/78/500907578.db2.gz CLPLTQUKNHJRSV-UHFFFAOYSA-N -1 1 367.361 3.129 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000434966777 500916919 /nfs/dbraw/zinc/91/69/19/500916919.db2.gz DAIDXVFBAIKVTA-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Cc1cccc(Cl)c1 ZINC000445002304 500931637 /nfs/dbraw/zinc/93/16/37/500931637.db2.gz ZSTIOHGDSJSPOX-UHFFFAOYSA-N -1 1 363.801 3.348 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000445217267 500956179 /nfs/dbraw/zinc/95/61/79/500956179.db2.gz PIECKFREBOPOOR-BRWVUGGUSA-N -1 1 367.405 3.494 20 5 FGBDMM Cc1sc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000445697865 501020951 /nfs/dbraw/zinc/02/09/51/501020951.db2.gz UZRKOYOBCXRMHG-MRVPVSSYSA-N -1 1 360.379 3.220 20 5 FGBDMM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cc(F)ccc1[O-] ZINC000436819330 501216270 /nfs/dbraw/zinc/21/62/70/501216270.db2.gz XZBVCAZPBAVFGC-UHFFFAOYSA-N -1 1 358.247 3.388 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000451065382 501242928 /nfs/dbraw/zinc/24/29/28/501242928.db2.gz VFDMGOUIHPVMKK-AWEZNQCLSA-N -1 1 362.407 3.208 20 5 FGBDMM O=C(c1cc(F)cc2nn[nH]c21)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456135742 501462032 /nfs/dbraw/zinc/46/20/32/501462032.db2.gz HWVXYOBMEXHNDU-GFCCVEGCSA-N -1 1 369.356 3.025 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459636721 501690981 /nfs/dbraw/zinc/69/09/81/501690981.db2.gz AGEGRYHRZQMGSR-HNNXBMFYSA-N -1 1 374.359 3.481 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(CC(C)(C)C)n[nH]1 ZINC000474422351 501830454 /nfs/dbraw/zinc/83/04/54/501830454.db2.gz SVOXFKCBVNMUCG-UHFFFAOYSA-N -1 1 366.443 3.324 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)cc1 ZINC000474434275 501835017 /nfs/dbraw/zinc/83/50/17/501835017.db2.gz RQJPGTSSVUGLQG-UHFFFAOYSA-N -1 1 350.400 3.166 20 5 FGBDMM O=C(Nc1ccc2cccc(Br)c2n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000465066132 502184083 /nfs/dbraw/zinc/18/40/83/502184083.db2.gz PXQIFLUPBRXDMN-UHFFFAOYSA-N -1 1 361.155 3.486 20 5 FGBDMM O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000490833823 503234201 /nfs/dbraw/zinc/23/42/01/503234201.db2.gz HTCRZKZSTSGBII-LBPRGKRZSA-N -1 1 369.299 3.161 20 5 FGBDMM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000515708843 503388580 /nfs/dbraw/zinc/38/85/80/503388580.db2.gz CYGXKFSKVJWUKI-JOYOIKCWSA-N -1 1 370.814 3.443 20 5 FGBDMM O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000515785901 503401366 /nfs/dbraw/zinc/40/13/66/503401366.db2.gz QVPDSHQGOYGUTK-UHFFFAOYSA-N -1 1 356.363 3.489 20 5 FGBDMM O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000512468354 503562537 /nfs/dbraw/zinc/56/25/37/503562537.db2.gz LTXKPFUIQLCPAA-MFKMUULPSA-N -1 1 367.283 3.000 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000541074994 503998185 /nfs/dbraw/zinc/99/81/85/503998185.db2.gz ZWAIYIUXYPVLNC-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000534641325 504200618 /nfs/dbraw/zinc/20/06/18/504200618.db2.gz WJUMDMHHOHQMBB-CQSZACIVSA-N -1 1 367.814 3.073 20 5 FGBDMM Cc1ccc(C(C)(C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000544730744 504238174 /nfs/dbraw/zinc/23/81/74/504238174.db2.gz JFHDFHAOHFHXQD-UHFFFAOYSA-N -1 1 369.830 3.165 20 5 FGBDMM CCOc1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000545141747 504372677 /nfs/dbraw/zinc/37/26/77/504372677.db2.gz YTFZHSWEJYOWGB-UHFFFAOYSA-N -1 1 364.785 3.325 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2ccccc21 ZINC000548527680 504477943 /nfs/dbraw/zinc/47/79/43/504477943.db2.gz WGFALVYSEYABSJ-UHFFFAOYSA-N -1 1 372.358 3.247 20 5 FGBDMM C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000563190049 505070905 /nfs/dbraw/zinc/07/09/05/505070905.db2.gz LZNRBLFSKSCZJF-GOSISDBHSA-N -1 1 359.357 3.072 20 5 FGBDMM C[C@@H](c1ccc(C(=O)[O-])o1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000566920570 505311875 /nfs/dbraw/zinc/31/18/75/505311875.db2.gz OZCUMRJEIDQYEW-LBPRGKRZSA-N -1 1 360.366 3.490 20 5 FGBDMM CCc1ccc([C@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000561349957 505322303 /nfs/dbraw/zinc/32/23/03/505322303.db2.gz YWFVFWCRRZPXBB-HNNXBMFYSA-N -1 1 355.394 3.278 20 5 FGBDMM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000567645041 505523715 /nfs/dbraw/zinc/52/37/15/505523715.db2.gz ZYGWXXGJWCDSST-BJOHPYRUSA-N -1 1 368.798 3.049 20 5 FGBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000590398390 506808832 /nfs/dbraw/zinc/80/88/32/506808832.db2.gz NQEQJYWNTSEOHF-UHFFFAOYSA-N -1 1 353.338 3.328 20 5 FGBDMM CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000609197466 506810724 /nfs/dbraw/zinc/81/07/24/506810724.db2.gz RPMLWXWZXFKDAV-ZDUSSCGKSA-N -1 1 369.830 3.463 20 5 FGBDMM CO[C@H](C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-])C1CC1 ZINC000593949229 506843035 /nfs/dbraw/zinc/84/30/35/506843035.db2.gz ZOIGHIPIRQNISH-CRAIPNDOSA-N -1 1 374.393 3.213 20 5 FGBDMM CCCc1cc(=O)[n-]c(SCC(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000600513405 506979212 /nfs/dbraw/zinc/97/92/12/506979212.db2.gz VGPVLLQKSDJZAZ-UHFFFAOYSA-N -1 1 351.359 3.157 20 5 FGBDMM CO[C@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)C1CCCC1 ZINC000594695865 507241151 /nfs/dbraw/zinc/24/11/51/507241151.db2.gz KEJFIMPDHOHVRM-MRXNPFEDSA-N -1 1 356.444 3.159 20 5 FGBDMM CCc1ccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000736691120 598968997 /nfs/dbraw/zinc/96/89/97/598968997.db2.gz OGVRFRCJPHNTHL-UHFFFAOYSA-N -1 1 363.337 3.073 20 5 FGBDMM C[C@@H](C(=O)[O-])[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000826051157 601650180 /nfs/dbraw/zinc/65/01/80/601650180.db2.gz BDBLELYOFOJWIL-PXAZEXFGSA-N -1 1 372.377 3.013 20 5 FGBDMM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000832006499 603568785 /nfs/dbraw/zinc/56/87/85/603568785.db2.gz SWCCAGYMJGJXPY-WFASDCNBSA-N -1 1 374.397 3.090 20 5 FGBDMM CCCCOc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821077393 606701220 /nfs/dbraw/zinc/70/12/20/606701220.db2.gz DDRQCRRCXDIGHU-UHFFFAOYSA-N -1 1 355.358 3.092 20 5 FGBDMM CCCCOc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821077393 606701221 /nfs/dbraw/zinc/70/12/21/606701221.db2.gz DDRQCRRCXDIGHU-UHFFFAOYSA-N -1 1 355.358 3.092 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cc(Cl)cc(Cl)c1 ZINC000823629841 607164295 /nfs/dbraw/zinc/16/42/95/607164295.db2.gz JJVOMTCVDIXMIU-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cc(Cl)cc(Cl)c1 ZINC000823629841 607164296 /nfs/dbraw/zinc/16/42/96/607164296.db2.gz JJVOMTCVDIXMIU-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000032586467 695746467 /nfs/dbraw/zinc/74/64/67/695746467.db2.gz RQOKESYJAZEXNR-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000122410851 700689412 /nfs/dbraw/zinc/68/94/12/700689412.db2.gz XNCKRWATDXPKMW-WCQYABFASA-N -1 1 370.789 3.222 20 5 FGBDMM O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=N/C1=C\c1ccc([O-])c(F)c1 ZINC000255237523 713688467 /nfs/dbraw/zinc/68/84/67/713688467.db2.gz AMBNYANZZZTBCB-XFFZJAGNSA-N -1 1 362.700 3.437 20 5 FGBDMM CSc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccn1 ZINC000617230574 714638770 /nfs/dbraw/zinc/63/87/70/714638770.db2.gz IFVXIBYDDJIFGE-UHFFFAOYSA-N -1 1 353.425 3.129 20 5 FGBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000619468005 714840258 /nfs/dbraw/zinc/84/02/58/714840258.db2.gz RGEILRKZOMEJFE-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ccc1F ZINC000725820041 722423592 /nfs/dbraw/zinc/42/35/92/722423592.db2.gz JZIOPBNZDQDNPO-UHFFFAOYSA-N -1 1 358.778 3.174 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2cccs2)c(Cl)cc1Cl ZINC000791417470 723241555 /nfs/dbraw/zinc/24/15/55/723241555.db2.gz FMSXONDFVVGTAJ-UHFFFAOYSA-N -1 1 367.235 3.442 20 5 FGBDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1)OCO2 ZINC000794866197 723549466 /nfs/dbraw/zinc/54/94/66/723549466.db2.gz SXOLRZQNKCRYFH-UHFFFAOYSA-N -1 1 370.770 3.086 20 5 FGBDMM COCc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC000766580406 723582297 /nfs/dbraw/zinc/58/22/97/723582297.db2.gz MDEUCWLKNIRLNT-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)c1C ZINC000795379393 723586604 /nfs/dbraw/zinc/58/66/04/723586604.db2.gz HWOMWCRXGHOZHE-LLVKDONJSA-N -1 1 368.386 3.205 20 5 FGBDMM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000768829974 723668424 /nfs/dbraw/zinc/66/84/24/723668424.db2.gz ABUKGYSLUQXOAA-HNNXBMFYSA-N -1 1 352.437 3.394 20 5 FGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl ZINC000769046775 723675447 /nfs/dbraw/zinc/67/54/47/723675447.db2.gz ICGQFSYFEKLOBU-VIFPVBQESA-N -1 1 364.741 3.138 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCCC1 ZINC000798149605 723907795 /nfs/dbraw/zinc/90/77/95/723907795.db2.gz DADZFBOBHMVPRF-UHFFFAOYSA-N -1 1 361.423 3.304 20 5 FGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1csc(-c2cnccn2)n1 ZINC000800147432 724155115 /nfs/dbraw/zinc/15/51/15/724155115.db2.gz OWMLSCICKSXNHS-UHFFFAOYSA-N -1 1 359.342 3.208 20 5 FGBDMM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000800928893 724249841 /nfs/dbraw/zinc/24/98/41/724249841.db2.gz XVIDEQPKQACIJM-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809815495 725270466 /nfs/dbraw/zinc/27/04/66/725270466.db2.gz ITXZJPLLPPCAPB-XVKPBYJWSA-N -1 1 353.227 3.369 20 5 FGBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809834636 725272088 /nfs/dbraw/zinc/27/20/88/725272088.db2.gz DDKZYLGMEHYAGF-SFYZADRCSA-N -1 1 353.227 3.369 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccnc(Cl)c2C)cc1[N+](=O)[O-] ZINC000811836382 725382523 /nfs/dbraw/zinc/38/25/23/725382523.db2.gz RFPWCVYEBNBIHG-UHFFFAOYSA-N -1 1 355.803 3.369 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000080716365 494775063 /nfs/dbraw/zinc/77/50/63/494775063.db2.gz PCJJNVYQEADNGO-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM Cc1cc2cccnc2c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1 ZINC000132827222 494930343 /nfs/dbraw/zinc/93/03/43/494930343.db2.gz YKAUVYKXLCWVFL-UHFFFAOYSA-N -1 1 373.390 3.266 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])ccc12 ZINC000093909611 494933844 /nfs/dbraw/zinc/93/38/44/494933844.db2.gz ROTWPLUFFTYBRY-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc12 ZINC000093909595 494934045 /nfs/dbraw/zinc/93/40/45/494934045.db2.gz XMFILWWEDKDINZ-UHFFFAOYSA-N -1 1 366.786 3.234 20 5 FGBDMM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000110177538 494955110 /nfs/dbraw/zinc/95/51/10/494955110.db2.gz GQAGNMHBCYEAJY-UHFFFAOYSA-N -1 1 372.761 3.043 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)s1 ZINC000122470350 494981083 /nfs/dbraw/zinc/98/10/83/494981083.db2.gz ZOHPAVRTZNVIHX-WDEREUQCSA-N -1 1 358.828 3.144 20 5 FGBDMM COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1[N+](=O)[O-] ZINC000124458798 495290924 /nfs/dbraw/zinc/29/09/24/495290924.db2.gz LRCLNHYBGANVFB-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(c2ccccc2)CC1 ZINC000146633236 495568496 /nfs/dbraw/zinc/56/84/96/495568496.db2.gz ZQONIJSHEQDNAF-UHFFFAOYSA-N -1 1 366.826 3.258 20 5 FGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000186270465 495921450 /nfs/dbraw/zinc/92/14/50/495921450.db2.gz AKQYWHWHKYPTNZ-GFCCVEGCSA-N -1 1 374.340 3.219 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)ccc1[N+](=O)[O-] ZINC000180290802 495938668 /nfs/dbraw/zinc/93/86/68/495938668.db2.gz QWWDPPLHDCUNCW-UHFFFAOYSA-N -1 1 362.194 3.406 20 5 FGBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000187165145 496322197 /nfs/dbraw/zinc/32/21/97/496322197.db2.gz GJBDYXZRYWREJQ-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1[N+](=O)[O-] ZINC000195451946 496926917 /nfs/dbraw/zinc/92/69/17/496926917.db2.gz JISZXAAWHYTWGX-UHFFFAOYSA-N -1 1 358.322 3.342 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000364372285 497925689 /nfs/dbraw/zinc/92/56/89/497925689.db2.gz CZCUTWUEOWTVLT-UHFFFAOYSA-N -1 1 359.769 3.278 20 5 FGBDMM Cc1oc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1C(=O)[O-] ZINC000575323165 505961177 /nfs/dbraw/zinc/96/11/77/505961177.db2.gz HQRAUJSPLOGTNZ-UHFFFAOYSA-N -1 1 360.366 3.238 20 5 FGBDMM Cc1nc(-c2ccc(NCc3ccccc3[N+](=O)[O-])nc2)[n-]c(=O)c1C ZINC000301346177 498067243 /nfs/dbraw/zinc/06/72/43/498067243.db2.gz HFLNLQOIFPSCFM-UHFFFAOYSA-N -1 1 351.366 3.381 20 5 FGBDMM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000294187013 498613784 /nfs/dbraw/zinc/61/37/84/498613784.db2.gz NMSNPWRUHBZKSX-UHFFFAOYSA-N -1 1 368.802 3.246 20 5 FGBDMM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC000572842226 506065713 /nfs/dbraw/zinc/06/57/13/506065713.db2.gz WVDHWPRDVUSCQC-UHFFFAOYSA-N -1 1 365.411 3.063 20 5 FGBDMM Cc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)c1 ZINC000303050757 498643013 /nfs/dbraw/zinc/64/30/13/498643013.db2.gz RPOXCZAZVOQYAL-UHFFFAOYSA-N -1 1 368.842 3.386 20 5 FGBDMM O=C([N-]c1nnc(C2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000294374015 498674655 /nfs/dbraw/zinc/67/46/55/498674655.db2.gz RRENDCXSDQMNRV-UHFFFAOYSA-N -1 1 368.802 3.246 20 5 FGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000581964187 506100825 /nfs/dbraw/zinc/10/08/25/506100825.db2.gz BIKUMGHPSGKVQV-HZPDHXFCSA-N -1 1 371.393 3.014 20 5 FGBDMM COc1cccc(SC)c1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000416358885 500026147 /nfs/dbraw/zinc/02/61/47/500026147.db2.gz KQRVSELSGKRATK-UHFFFAOYSA-N -1 1 350.400 3.424 20 5 FGBDMM O=C([O-])Cc1ccccc1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000426692134 500307216 /nfs/dbraw/zinc/30/72/16/500307216.db2.gz OVLXNDZGBZNIOR-UHFFFAOYSA-N -1 1 366.320 3.113 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c(Cl)c1 ZINC000431150929 500342157 /nfs/dbraw/zinc/34/21/57/500342157.db2.gz QKZZCPWPFOEGHB-UHFFFAOYSA-N -1 1 366.704 3.466 20 5 FGBDMM CC(C)([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000431898224 500440824 /nfs/dbraw/zinc/44/08/24/500440824.db2.gz LIOPHNFDDQTJHC-UHFFFAOYSA-N -1 1 374.340 3.226 20 5 FGBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000432939395 500594361 /nfs/dbraw/zinc/59/43/61/500594361.db2.gz QVDCYJIQYVLLDZ-UHFFFAOYSA-N -1 1 367.365 3.169 20 5 FGBDMM CC(C)(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000445003643 500931761 /nfs/dbraw/zinc/93/17/61/500931761.db2.gz AXNUZGJEIUHSSK-AWEZNQCLSA-N -1 1 365.336 3.491 20 5 FGBDMM O=C(NCc1ccc(OC2CCCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445188907 500953080 /nfs/dbraw/zinc/95/30/80/500953080.db2.gz RTUVCKHJTVZTMJ-UHFFFAOYSA-N -1 1 371.393 3.337 20 5 FGBDMM O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445195163 500953796 /nfs/dbraw/zinc/95/37/96/500953796.db2.gz ZPNBKFCVBVCJGI-NSHDSACASA-N -1 1 355.272 3.119 20 5 FGBDMM Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000447133016 501207867 /nfs/dbraw/zinc/20/78/67/501207867.db2.gz NAQIBUTUZWJFSM-UHFFFAOYSA-N -1 1 372.805 3.217 20 5 FGBDMM CCCCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[nH]n1 ZINC000471504264 502047913 /nfs/dbraw/zinc/04/79/13/502047913.db2.gz SCZBUEQOADCZMU-UHFFFAOYSA-N -1 1 352.416 3.078 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c1 ZINC000486578953 502196500 /nfs/dbraw/zinc/19/65/00/502196500.db2.gz WVDFSLNFHJVAAV-UHFFFAOYSA-N -1 1 364.358 3.028 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000486691309 502232916 /nfs/dbraw/zinc/23/29/16/502232916.db2.gz XGBWTTQWIKTEHY-SECBINFHSA-N -1 1 354.762 3.104 20 5 FGBDMM Cc1cc(N2CCC(c3n[n-]c(=O)o3)CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461955673 502252185 /nfs/dbraw/zinc/25/21/85/502252185.db2.gz GASWIDJVFNBGTH-UHFFFAOYSA-N -1 1 372.303 3.395 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(CCC(C)C)n[nH]1 ZINC000469129893 502309475 /nfs/dbraw/zinc/30/94/75/502309475.db2.gz YEIXYQWHFSZMQO-UHFFFAOYSA-N -1 1 352.416 3.016 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3ccc(F)cc32)s1 ZINC000480979960 502718335 /nfs/dbraw/zinc/71/83/35/502718335.db2.gz MQUNQRCXEQMVEY-LBPRGKRZSA-N -1 1 356.400 3.151 20 5 FGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000470493641 502794060 /nfs/dbraw/zinc/79/40/60/502794060.db2.gz WEAZXPLUVGQKTB-JTQLQIEISA-N -1 1 352.416 3.331 20 5 FGBDMM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000488756592 502803478 /nfs/dbraw/zinc/80/34/78/502803478.db2.gz DKBZABATUICAQV-UHFFFAOYSA-N -1 1 354.453 3.221 20 5 FGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000502021418 503127596 /nfs/dbraw/zinc/12/75/96/503127596.db2.gz YVCATMHMENIEAE-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-c2cnco2)c1 ZINC000511241894 503285651 /nfs/dbraw/zinc/28/56/51/503285651.db2.gz RFRNVOYDFFYIIE-UHFFFAOYSA-N -1 1 359.363 3.359 20 5 FGBDMM CC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1F ZINC000507613808 503332206 /nfs/dbraw/zinc/33/22/06/503332206.db2.gz SRGSZVDENDPMBZ-UHFFFAOYSA-N -1 1 366.370 3.354 20 5 FGBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(F)F ZINC000508235961 503460333 /nfs/dbraw/zinc/46/03/33/503460333.db2.gz VYHJPDKBUPJHSE-UHFFFAOYSA-N -1 1 374.321 3.011 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cc(F)cc(Br)c3)no2)[n-]1 ZINC000508609572 503529046 /nfs/dbraw/zinc/52/90/46/503529046.db2.gz RBUMUCXNOLHIAP-UHFFFAOYSA-N -1 1 367.134 3.465 20 5 FGBDMM CC[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1ccccc1C ZINC000494782920 503609901 /nfs/dbraw/zinc/60/99/01/503609901.db2.gz DDSFSKSKZPHSEN-GFCCVEGCSA-N -1 1 370.452 3.101 20 5 FGBDMM Cc1c(C)c(C)c(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(C)c1C ZINC000532931605 503662727 /nfs/dbraw/zinc/66/27/27/503662727.db2.gz VYHYWQHFBALUHO-UHFFFAOYSA-N -1 1 363.439 3.010 20 5 FGBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCN1C1CCCC1 ZINC000543679773 503850699 /nfs/dbraw/zinc/85/06/99/503850699.db2.gz DXDXVDJOLUWURY-CYBMUJFWSA-N -1 1 353.806 3.299 20 5 FGBDMM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000546885000 503915584 /nfs/dbraw/zinc/91/55/84/503915584.db2.gz MDVTXZSEBBAERL-ZETCQYMHSA-N -1 1 360.741 3.258 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000518658657 504036869 /nfs/dbraw/zinc/03/68/69/504036869.db2.gz PDUPHYCOHWTCRA-LLVKDONJSA-N -1 1 356.787 3.197 20 5 FGBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1-c1ccccc1 ZINC000534681384 504213914 /nfs/dbraw/zinc/21/39/14/504213914.db2.gz WKMLDWADIZXAOV-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000534682881 504215058 /nfs/dbraw/zinc/21/50/58/504215058.db2.gz OXJDXIBRUVVBBE-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000535654638 504495857 /nfs/dbraw/zinc/49/58/57/504495857.db2.gz FTBKYIPCMPIVOB-UHFFFAOYSA-N -1 1 350.396 3.493 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CC(c3ccccc3)C2)s1 ZINC000548977343 504642354 /nfs/dbraw/zinc/64/23/54/504642354.db2.gz UOWIOTGPEOOHJU-UHFFFAOYSA-N -1 1 352.437 3.128 20 5 FGBDMM CC[C@](C)(NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000563479938 505151841 /nfs/dbraw/zinc/15/18/41/505151841.db2.gz PBRZNELQDJXTAF-KRWDZBQOSA-N -1 1 355.354 3.028 20 5 FGBDMM COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000564221884 505356565 /nfs/dbraw/zinc/35/65/65/505356565.db2.gz AGEPNTARBDHYTE-SWLSCSKDSA-N -1 1 371.393 3.317 20 5 FGBDMM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000567645042 505523578 /nfs/dbraw/zinc/52/35/78/505523578.db2.gz ZYGWXXGJWCDSST-PSLIRLAXSA-N -1 1 368.798 3.049 20 5 FGBDMM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000567870286 505569463 /nfs/dbraw/zinc/56/94/63/505569463.db2.gz YHIDZRIYSBAVBX-UHFFFAOYSA-N -1 1 365.411 3.225 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCC2(CC2)C1 ZINC000589599804 506598217 /nfs/dbraw/zinc/59/82/17/506598217.db2.gz LNCXVEDHEMNKGL-UHFFFAOYSA-N -1 1 373.434 3.386 20 5 FGBDMM C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000604106062 506715596 /nfs/dbraw/zinc/71/55/96/506715596.db2.gz ZACOBFCFGHFNCE-CHWSQXEVSA-N -1 1 370.409 3.293 20 5 FGBDMM O=C([O-])CC[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000593753066 506761368 /nfs/dbraw/zinc/76/13/68/506761368.db2.gz QRUWURUGLLKVJF-CYBMUJFWSA-N -1 1 359.382 3.327 20 5 FGBDMM COc1ccc2oc([C@H](C)NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c(C)c2c1 ZINC000609316327 506849730 /nfs/dbraw/zinc/84/97/30/506849730.db2.gz KZHJFRKANHNYFS-JTQLQIEISA-N -1 1 371.349 3.250 20 5 FGBDMM COc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1C ZINC000600659049 507052788 /nfs/dbraw/zinc/05/27/88/507052788.db2.gz DRMUJZUEDKAMED-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM CN(Cc1ccc(Cl)s1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825966185 607450474 /nfs/dbraw/zinc/45/04/74/607450474.db2.gz RZJSJTHVYBSKKJ-UHFFFAOYSA-N -1 1 350.791 3.126 20 5 FGBDMM CN(Cc1ccc(Cl)s1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825966185 607450475 /nfs/dbraw/zinc/45/04/75/607450475.db2.gz RZJSJTHVYBSKKJ-UHFFFAOYSA-N -1 1 350.791 3.126 20 5 FGBDMM Cc1ccc2nc(CNc3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000832958823 600804727 /nfs/dbraw/zinc/80/47/27/600804727.db2.gz LEKAHSZWONXTNK-QPJJXVBHSA-N -1 1 352.350 3.489 20 5 FGBDMM COc1cc(OC)cc([C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000832051767 602168296 /nfs/dbraw/zinc/16/82/96/602168296.db2.gz XSJXBYWPKIEETE-DIFFPNOSSA-N -1 1 360.366 3.089 20 5 FGBDMM O=C([O-])N1CCC(N(Cc2ccc(Cl)cc2[N+](=O)[O-])C2CC2)CC1 ZINC000740500611 602928495 /nfs/dbraw/zinc/92/84/95/602928495.db2.gz PJDCFIMUYGPSDR-UHFFFAOYSA-N -1 1 353.806 3.355 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1[N+](=O)[O-] ZINC000110538683 700542273 /nfs/dbraw/zinc/54/22/73/700542273.db2.gz GFCSMOOGOYRVGF-UHFFFAOYSA-N -1 1 357.391 3.495 20 5 FGBDMM CC[C@@](C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000119850431 700640651 /nfs/dbraw/zinc/64/06/51/700640651.db2.gz UAHIOILMMHOMFE-GFCCVEGCSA-N -1 1 361.470 3.025 20 5 FGBDMM O=C1OC(c2c(Cl)cccc2[N+](=O)[O-])=N/C1=C/c1ccc([O-])c(F)c1 ZINC000157287788 705150049 /nfs/dbraw/zinc/15/00/49/705150049.db2.gz AMBNYANZZZTBCB-YRNVUSSQSA-N -1 1 362.700 3.437 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000525702368 714369927 /nfs/dbraw/zinc/36/99/27/714369927.db2.gz IGQMCZYEPBTHHT-OAHLLOKOSA-N -1 1 363.439 3.025 20 5 FGBDMM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000738403253 722530343 /nfs/dbraw/zinc/53/03/43/722530343.db2.gz HPWZTKMRRDLSMP-GFCCVEGCSA-N -1 1 352.387 3.124 20 5 FGBDMM CSc1cc2c(cc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1F)OCCO2 ZINC000751200434 722797960 /nfs/dbraw/zinc/79/79/60/722797960.db2.gz CJSDFTBVYUTPHN-UHFFFAOYSA-N -1 1 364.354 3.479 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)cc1[N+](=O)[O-] ZINC000795379380 723586596 /nfs/dbraw/zinc/58/65/96/723586596.db2.gz DSUHXWWQYDHNGT-LLVKDONJSA-N -1 1 368.386 3.205 20 5 FGBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]C2(C(F)F)CCCC2)cc1[N+](=O)[O-] ZINC000808347008 725195954 /nfs/dbraw/zinc/19/59/54/725195954.db2.gz XDVGWFDWEKSJLM-UHFFFAOYSA-N -1 1 368.789 3.413 20 5 FGBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CS1 ZINC000841556745 730255844 /nfs/dbraw/zinc/25/58/44/730255844.db2.gz AYACJWRUGPPQIJ-RQJHMYQMSA-N -1 1 371.267 3.074 20 5 FGBDMM O=C([O-])c1cnc([C@H]2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)s1 ZINC000905749903 744052010 /nfs/dbraw/zinc/05/20/10/744052010.db2.gz OURYTBAFYHAHKY-JTQLQIEISA-N -1 1 367.814 3.392 20 5 FGBDMM O=C([O-])c1cnc([C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)s1 ZINC000905749352 744052067 /nfs/dbraw/zinc/05/20/67/744052067.db2.gz LHDHZDNKRWZWDH-MASHWEEQSA-N -1 1 359.407 3.252 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1[N+](=O)[O-] ZINC000006919646 207177184 /nfs/dbraw/zinc/17/71/84/207177184.db2.gz YWHZHOOGQXQZLU-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM C[C@@H](CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1)C(=O)[O-] ZINC000568066101 505608069 /nfs/dbraw/zinc/60/80/69/505608069.db2.gz PGTYATFSMCAZTF-ZDUSSCGKSA-N -1 1 368.393 3.194 20 5 FGBDMM Cc1ccc(SCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000064244053 494109650 /nfs/dbraw/zinc/10/96/50/494109650.db2.gz JFNKEKVEIADZEO-UHFFFAOYSA-N -1 1 358.466 3.035 20 5 FGBDMM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000127767120 494994626 /nfs/dbraw/zinc/99/46/26/494994626.db2.gz JUVDBSXTYQVAPQ-UHFFFAOYSA-N -1 1 356.165 3.274 20 5 FGBDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1 ZINC000135682649 495325428 /nfs/dbraw/zinc/32/54/28/495325428.db2.gz IHUUKFPXWHFUEN-UHFFFAOYSA-N -1 1 363.395 3.053 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(Cl)cc1 ZINC000146396862 495565723 /nfs/dbraw/zinc/56/57/23/495565723.db2.gz UOQGEOVYXZULMW-UHFFFAOYSA-N -1 1 361.206 3.380 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c(C)c1 ZINC000183872580 496144433 /nfs/dbraw/zinc/14/44/33/496144433.db2.gz VNHLULCIYMICOW-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000187072742 496280841 /nfs/dbraw/zinc/28/08/41/496280841.db2.gz GBOPQXPHFOZUMH-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000187552877 496487960 /nfs/dbraw/zinc/48/79/60/496487960.db2.gz ZEGCBIFBQFSULV-INIZCTEOSA-N -1 1 353.378 3.378 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(OC)c1 ZINC000188581882 496839959 /nfs/dbraw/zinc/83/99/59/496839959.db2.gz CXHDQASYPCNMSG-UHFFFAOYSA-N -1 1 354.359 3.106 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1CCCc1ccccc1 ZINC000193732210 497462714 /nfs/dbraw/zinc/46/27/14/497462714.db2.gz ATUHQJBYLAZKJA-INIZCTEOSA-N -1 1 355.394 3.323 20 5 FGBDMM COc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)ccc1F ZINC000190715508 497582358 /nfs/dbraw/zinc/58/23/58/497582358.db2.gz PWGJOJHWWWIPNB-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(SC)ns2)cc1SC ZINC000267826265 497625677 /nfs/dbraw/zinc/62/56/77/497625677.db2.gz UCIDPHVSMCIXGG-UHFFFAOYSA-N -1 1 372.453 3.151 20 5 FGBDMM Cc1cccc(NC[C@@H]2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)C2)n1 ZINC000576282832 506120545 /nfs/dbraw/zinc/12/05/45/506120545.db2.gz VRHRZVCDQOPGJB-AWEZNQCLSA-N -1 1 370.409 3.243 20 5 FGBDMM O=C(c1cc2ccccc2cc1[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373272757 499460895 /nfs/dbraw/zinc/46/08/95/499460895.db2.gz VACUTZNKOSKFHW-UHFFFAOYSA-N -1 1 366.377 3.127 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cc1OC ZINC000414367918 499781581 /nfs/dbraw/zinc/78/15/81/499781581.db2.gz FOGQZDMRULYOSR-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccc(F)cc3)C2)s1 ZINC000431629619 500400421 /nfs/dbraw/zinc/40/04/21/500400421.db2.gz FIHCPFJFWUYXJJ-UMSPYCQHSA-N -1 1 356.400 3.020 20 5 FGBDMM O=C(Nc1ccc(Oc2ccc(CO)cc2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000427995136 500456150 /nfs/dbraw/zinc/45/61/50/500456150.db2.gz JWIREXOHHUBQLT-UHFFFAOYSA-N -1 1 353.334 3.460 20 5 FGBDMM O=C(NCC1CCC(c2ccccc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445184474 500952562 /nfs/dbraw/zinc/95/25/62/500952562.db2.gz DZBDMBCFKMFCEW-UHFFFAOYSA-N -1 1 355.394 3.399 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000435733557 501020555 /nfs/dbraw/zinc/02/05/55/501020555.db2.gz WGSFAXSYHWQYGB-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM CCOC(=O)c1cc(C(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)on1 ZINC000451753850 501366114 /nfs/dbraw/zinc/36/61/14/501366114.db2.gz CBAFCSPXRMLEER-UHFFFAOYSA-N -1 1 361.354 3.309 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)c1 ZINC000469126046 502307767 /nfs/dbraw/zinc/30/77/67/502307767.db2.gz YZTYDLYWZLVMNG-UHFFFAOYSA-N -1 1 366.443 3.324 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000476551952 502522646 /nfs/dbraw/zinc/52/26/46/502522646.db2.gz SOSBDADQPKTCCY-UHFFFAOYSA-N -1 1 366.826 3.302 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc1[N+](=O)[O-] ZINC000491549666 503318456 /nfs/dbraw/zinc/31/84/56/503318456.db2.gz VWGSFFRLBREZRC-UHFFFAOYSA-N -1 1 368.386 3.361 20 5 FGBDMM CCCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000515633592 503377508 /nfs/dbraw/zinc/37/75/08/503377508.db2.gz OQWMOPNMWUDACO-UHFFFAOYSA-N -1 1 364.379 3.046 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1[N+](=O)[O-] ZINC000499504643 503420650 /nfs/dbraw/zinc/42/06/50/503420650.db2.gz KOXYGBXBOVAMMN-UHFFFAOYSA-N -1 1 366.370 3.421 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCC(F)(F)C1 ZINC000499717660 503465701 /nfs/dbraw/zinc/46/57/01/503465701.db2.gz HNOKXUWEIPXRKK-VIFPVBQESA-N -1 1 368.789 3.352 20 5 FGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c(C)c1 ZINC000527247202 503737900 /nfs/dbraw/zinc/73/79/00/503737900.db2.gz XGKYHTDDERPABN-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c([N+](=O)[O-])c1 ZINC000536108268 504635804 /nfs/dbraw/zinc/63/58/04/504635804.db2.gz MBLIXNNQGKNWFZ-UHFFFAOYSA-N -1 1 370.770 3.086 20 5 FGBDMM C[C@H](c1ccsc1)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000566012931 505055413 /nfs/dbraw/zinc/05/54/13/505055413.db2.gz YUOXKTPQVMFVIC-GFCCVEGCSA-N -1 1 361.423 3.238 20 5 FGBDMM CCOc1cc(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000566802447 505275927 /nfs/dbraw/zinc/27/59/27/505275927.db2.gz IOZBZMPKNLAQCN-FQEVSTJZSA-N -1 1 370.405 3.222 20 5 FGBDMM CCc1ccc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000567641183 505521834 /nfs/dbraw/zinc/52/18/34/505521834.db2.gz UCVDCEHLNRIUOK-OAHLLOKOSA-N -1 1 355.394 3.278 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OCC ZINC000603778282 506617714 /nfs/dbraw/zinc/61/77/14/506617714.db2.gz ZFMKPZPDTMTMSS-UHFFFAOYSA-N -1 1 366.395 3.193 20 5 FGBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000604194407 506745198 /nfs/dbraw/zinc/74/51/98/506745198.db2.gz MZCLNKFPEQTMEC-UHFFFAOYSA-N -1 1 360.420 3.199 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(CCc3ccccc3C2)CC1 ZINC000593754096 506760980 /nfs/dbraw/zinc/76/09/80/506760980.db2.gz INDOTFRXZGQYDY-UHFFFAOYSA-N -1 1 367.405 3.107 20 5 FGBDMM Cc1c(C(=O)[O-])cnn1C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000593752032 506761158 /nfs/dbraw/zinc/76/11/58/506761158.db2.gz KJJXZXYLRHVYBC-GFCCVEGCSA-N -1 1 358.398 3.196 20 5 FGBDMM CC(C)C(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609134527 506787475 /nfs/dbraw/zinc/78/74/75/506787475.db2.gz NENSSKAGGWEJNW-UHFFFAOYSA-N -1 1 365.249 3.070 20 5 FGBDMM CO[C@@H](C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-])C1CC1 ZINC000593949140 506843112 /nfs/dbraw/zinc/84/31/12/506843112.db2.gz WQLCKWICCGXSMY-WMZOPIPTSA-N -1 1 374.393 3.213 20 5 FGBDMM CCOC(=O)c1c(CC)c(C)sc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000609887286 507038648 /nfs/dbraw/zinc/03/86/48/507038648.db2.gz POPLIIDITXFVCT-UHFFFAOYSA-N -1 1 351.384 3.284 20 5 FGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(C3CCOCC3)c2)c1 ZINC000600661993 507052962 /nfs/dbraw/zinc/05/29/62/507052962.db2.gz DVUCUTNPWBMMDF-UHFFFAOYSA-N -1 1 362.407 3.290 20 5 FGBDMM COc1cccc(C(=O)[N-]c2nnc(CCC(C)C)s2)c1[N+](=O)[O-] ZINC000597871357 507145230 /nfs/dbraw/zinc/14/52/30/507145230.db2.gz GCQJEYJEFWHRFW-UHFFFAOYSA-N -1 1 350.400 3.296 20 5 FGBDMM COc1cc(CN=c2[n-]nc(Cc3cccc(F)c3)o2)cc([N+](=O)[O-])c1O ZINC000540792193 562593222 /nfs/dbraw/zinc/59/32/22/562593222.db2.gz FLTQUKRWQRTPPO-UHFFFAOYSA-N -1 1 374.328 3.034 20 5 FGBDMM CCCOCc1ccccc1CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825339272 607451960 /nfs/dbraw/zinc/45/19/60/607451960.db2.gz UYUSNTACRJXJIG-UHFFFAOYSA-N -1 1 368.397 3.314 20 5 FGBDMM CCCOCc1ccccc1CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825339272 607451962 /nfs/dbraw/zinc/45/19/62/607451962.db2.gz UYUSNTACRJXJIG-UHFFFAOYSA-N -1 1 368.397 3.314 20 5 FGBDMM C[C@@H](OCCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000820519988 606644665 /nfs/dbraw/zinc/64/46/65/606644665.db2.gz YGXFEASCGGXWRI-CYBMUJFWSA-N -1 1 368.397 3.355 20 5 FGBDMM CC[C@H](Cc1ccc(Cl)cc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820915174 606710300 /nfs/dbraw/zinc/71/03/00/606710300.db2.gz SRIDOIYASQZXCD-GFCCVEGCSA-N -1 1 373.804 3.257 20 5 FGBDMM CC[C@H](Cc1ccc(Cl)cc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820915174 606710301 /nfs/dbraw/zinc/71/03/01/606710301.db2.gz SRIDOIYASQZXCD-GFCCVEGCSA-N -1 1 373.804 3.257 20 5 FGBDMM CC(C)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000820021074 607168288 /nfs/dbraw/zinc/16/82/88/607168288.db2.gz OZVUJHTXVWRXIF-AWEZNQCLSA-N -1 1 353.386 3.022 20 5 FGBDMM CC(C)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000820021074 607168289 /nfs/dbraw/zinc/16/82/89/607168289.db2.gz OZVUJHTXVWRXIF-AWEZNQCLSA-N -1 1 353.386 3.022 20 5 FGBDMM O=[N+]([O-])c1ccc2nc(Oc3cccc(F)c3-c3nnn[n-]3)sc2c1 ZINC000826499314 607867331 /nfs/dbraw/zinc/86/73/31/607867331.db2.gz DOSQDOPOAAYMBZ-UHFFFAOYSA-N -1 1 358.314 3.316 20 5 FGBDMM O=[N+]([O-])c1ccc2nc(Oc3cccc(F)c3-c3nn[n-]n3)sc2c1 ZINC000826499314 607867332 /nfs/dbraw/zinc/86/73/32/607867332.db2.gz DOSQDOPOAAYMBZ-UHFFFAOYSA-N -1 1 358.314 3.316 20 5 FGBDMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)ccc12 ZINC000093909388 700456422 /nfs/dbraw/zinc/45/64/22/700456422.db2.gz NCZKUKZEKFXXTL-UHFFFAOYSA-N -1 1 364.358 3.028 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(C)c(F)c([N+](=O)[O-])c3)ccc12 ZINC000093909388 700456423 /nfs/dbraw/zinc/45/64/23/700456423.db2.gz NCZKUKZEKFXXTL-UHFFFAOYSA-N -1 1 364.358 3.028 20 5 FGBDMM CSc1cc(C)ccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000152413714 704962103 /nfs/dbraw/zinc/96/21/03/704962103.db2.gz ATNWSKNOEFBDHU-UHFFFAOYSA-N -1 1 370.427 3.243 20 5 FGBDMM CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000176896146 705596002 /nfs/dbraw/zinc/59/60/02/705596002.db2.gz RXLGYHFQAHELBU-WDEREUQCSA-N -1 1 362.448 3.077 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCSc2ccccc21 ZINC000194335522 713518970 /nfs/dbraw/zinc/51/89/70/713518970.db2.gz BFVCSBMHDLKGDB-LBPRGKRZSA-N -1 1 368.411 3.249 20 5 FGBDMM CNc1ccc(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000522812837 714206733 /nfs/dbraw/zinc/20/67/33/714206733.db2.gz RXNKZBMUJIDUHM-UHFFFAOYSA-N -1 1 357.395 3.071 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000523417083 714233183 /nfs/dbraw/zinc/23/31/83/714233183.db2.gz QBTVJBGUYPXUEH-ZIAGYGMSSA-N -1 1 366.464 3.346 20 5 FGBDMM Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000741259620 722543975 /nfs/dbraw/zinc/54/39/75/722543975.db2.gz NXYQTTSHSVTLGD-GFCCVEGCSA-N -1 1 352.387 3.124 20 5 FGBDMM O=C(CSCc1ccc(Cl)cc1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000791591222 723261888 /nfs/dbraw/zinc/26/18/88/723261888.db2.gz XPRXDQKHAQSMBU-UHFFFAOYSA-N -1 1 364.810 3.438 20 5 FGBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc21 ZINC000769929973 723701172 /nfs/dbraw/zinc/70/11/72/723701172.db2.gz KAOMIUBJEHUKSS-CQSZACIVSA-N -1 1 364.398 3.435 20 5 FGBDMM COc1cccc(OC)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000800929950 724249750 /nfs/dbraw/zinc/24/97/50/724249750.db2.gz CGJXHQNNTBRWJH-UHFFFAOYSA-N -1 1 372.786 3.066 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000814972826 727014920 /nfs/dbraw/zinc/01/49/20/727014920.db2.gz MIRZFDSKASSDJV-VIFPVBQESA-N -1 1 358.778 3.427 20 5 FGBDMM CN(C)c1cc(F)c(C(=O)[N-]c2nc(C(C)(C)C)ns2)cc1[N+](=O)[O-] ZINC000825708397 729392266 /nfs/dbraw/zinc/39/22/66/729392266.db2.gz HGQMOAKVHXMXKH-UHFFFAOYSA-N -1 1 367.406 3.201 20 5 FGBDMM O=C([O-])c1csc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000872159008 735597663 /nfs/dbraw/zinc/59/76/63/735597663.db2.gz KSWSNTGUPHWYSQ-UHFFFAOYSA-N -1 1 362.407 3.398 20 5 FGBDMM C[C@H](CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1)C(=O)[O-] ZINC000901993018 743694307 /nfs/dbraw/zinc/69/43/07/743694307.db2.gz NQVIGDOWWMGHHA-LLVKDONJSA-N -1 1 361.423 3.403 20 5 FGBDMM CC[C@]1(C(=O)[O-])CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000904399851 743952371 /nfs/dbraw/zinc/95/23/71/743952371.db2.gz BAPDYGDFHOOBLU-INIZCTEOSA-N -1 1 358.341 3.273 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C ZINC000920756849 758596599 /nfs/dbraw/zinc/59/65/99/758596599.db2.gz DMMXPZZAABGRIY-UHFFFAOYSA-N -1 1 361.423 3.086 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000007109373 494001601 /nfs/dbraw/zinc/00/16/01/494001601.db2.gz FRUMQEXCVPBASI-UHFFFAOYSA-N -1 1 366.395 3.111 20 5 FGBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000064374594 494118461 /nfs/dbraw/zinc/11/84/61/494118461.db2.gz QENKZFMWVFCJPT-UHFFFAOYSA-N -1 1 372.786 3.066 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000079273028 494428996 /nfs/dbraw/zinc/42/89/96/494428996.db2.gz XHQOAPGKBPMWCH-ZDUSSCGKSA-N -1 1 360.313 3.177 20 5 FGBDMM CCCc1nnc([N-]C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])s1 ZINC000026835298 494840041 /nfs/dbraw/zinc/84/00/41/494840041.db2.gz KWBOWQRWYADSIY-UHFFFAOYSA-N -1 1 366.399 3.058 20 5 FGBDMM O=C([N-]c1nc2ccc(F)cn2n1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000129811957 495299236 /nfs/dbraw/zinc/29/92/36/495299236.db2.gz LHTFZQUBPHNNCN-UHFFFAOYSA-N -1 1 369.234 3.048 20 5 FGBDMM Cc1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1F ZINC000146626655 495568175 /nfs/dbraw/zinc/56/81/75/495568175.db2.gz NANDOKWWNURGMA-UHFFFAOYSA-N -1 1 358.778 3.174 20 5 FGBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000160996207 496082275 /nfs/dbraw/zinc/08/22/75/496082275.db2.gz CBXPPMXHRHLAMK-UHFFFAOYSA-N -1 1 364.276 3.093 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CCC2 ZINC000175013428 496207446 /nfs/dbraw/zinc/20/74/46/496207446.db2.gz URFZKVXBVUCETK-UHFFFAOYSA-N -1 1 360.391 3.223 20 5 FGBDMM CCc1ccccc1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000187195033 496334900 /nfs/dbraw/zinc/33/49/00/496334900.db2.gz JRBFLBHNPAGPGV-UHFFFAOYSA-N -1 1 354.359 3.106 20 5 FGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000181659713 496490666 /nfs/dbraw/zinc/49/06/66/496490666.db2.gz SGSHITUFPMMUMO-UHFFFAOYSA-N -1 1 358.322 3.040 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1C ZINC000184967917 496604767 /nfs/dbraw/zinc/60/47/67/496604767.db2.gz VEPKPGFPEWRGHS-UHFFFAOYSA-N -1 1 373.390 3.261 20 5 FGBDMM CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000273797277 496911755 /nfs/dbraw/zinc/91/17/55/496911755.db2.gz HNYDMAKGPKFCAF-LLVKDONJSA-N -1 1 351.363 3.195 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000324632199 498830581 /nfs/dbraw/zinc/83/05/81/498830581.db2.gz ASWLWMAEYWHMJM-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM COc1cc(/C=C\c2ncc(C(=O)[O-])c(C(C)C)n2)cc([N+](=O)[O-])c1O ZINC000436935194 500573860 /nfs/dbraw/zinc/57/38/60/500573860.db2.gz JLSDFZHVJCTQPA-PLNGDYQASA-N -1 1 359.338 3.091 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(=Cc2ccccc2F)CC1 ZINC000444986293 500929173 /nfs/dbraw/zinc/92/91/73/500929173.db2.gz ARFCSBAXGGZFCF-UHFFFAOYSA-N -1 1 357.341 3.154 20 5 FGBDMM C[C@@H]1C[C@@H]1[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000445011099 500932883 /nfs/dbraw/zinc/93/28/83/500932883.db2.gz WJFYKEZWMSVZGL-DVJZZOLTSA-N -1 1 361.785 3.476 20 5 FGBDMM CC[C@@H](C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000445177481 500951937 /nfs/dbraw/zinc/95/19/37/500951937.db2.gz WKFWXVFYBULLET-BMIGLBTASA-N -1 1 369.381 3.089 20 5 FGBDMM O=c1cc(-c2nc(-c3ccc([O-])cc3F)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445453938 500988744 /nfs/dbraw/zinc/98/87/44/500988744.db2.gz DEWQNFAWKCCEAP-UHFFFAOYSA-N -1 1 368.280 3.410 20 5 FGBDMM COc1cc(OCc2nc(-c3ccc([O-])c(F)c3)no2)ccc1[N+](=O)[O-] ZINC000445485562 500993675 /nfs/dbraw/zinc/99/36/75/500993675.db2.gz AFZLLXHWLFXWMC-UHFFFAOYSA-N -1 1 361.285 3.077 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2cccc(Cl)c2)CC1 ZINC000482290561 502031084 /nfs/dbraw/zinc/03/10/84/502031084.db2.gz FISVTNIRAPRQAK-UHFFFAOYSA-N -1 1 361.785 3.369 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000468901779 502222936 /nfs/dbraw/zinc/22/29/36/502222936.db2.gz KCUXPADFGYYKKD-JTQLQIEISA-N -1 1 360.741 3.176 20 5 FGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000470493643 502794082 /nfs/dbraw/zinc/79/40/82/502794082.db2.gz WEAZXPLUVGQKTB-SNVBAGLBSA-N -1 1 352.416 3.331 20 5 FGBDMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488948668 502845572 /nfs/dbraw/zinc/84/55/72/502845572.db2.gz UIXDHERMSNOFAK-IUCAKERBSA-N -1 1 365.249 3.070 20 5 FGBDMM COC(=O)c1cc([N-]C(=O)c2c(F)cc(F)cc2F)c(C)c([N+](=O)[O-])c1 ZINC000489745277 503024184 /nfs/dbraw/zinc/02/41/84/503024184.db2.gz NLRBBPYADYMSAK-UHFFFAOYSA-N -1 1 368.267 3.359 20 5 FGBDMM CCc1cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1F ZINC000507633188 503336443 /nfs/dbraw/zinc/33/64/43/503336443.db2.gz BCRRYONBQJCNQP-UHFFFAOYSA-N -1 1 354.359 3.106 20 5 FGBDMM CSc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000495265915 503715990 /nfs/dbraw/zinc/71/59/90/503715990.db2.gz DICTYXMLNIHZMH-UHFFFAOYSA-N -1 1 362.339 3.022 20 5 FGBDMM COc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2[O-])cc1SC ZINC000530658147 504042144 /nfs/dbraw/zinc/04/21/44/504042144.db2.gz SVJAEVFGKHJZJB-UHFFFAOYSA-N -1 1 352.343 3.422 20 5 FGBDMM CC(C)c1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000535753319 504531341 /nfs/dbraw/zinc/53/13/41/504531341.db2.gz VHBIXMVIZGYYSX-CYBMUJFWSA-N -1 1 363.439 3.023 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(F)c(Br)c3)no2)[n-]1 ZINC000545654231 504553537 /nfs/dbraw/zinc/55/35/37/504553537.db2.gz XAYBWMBMOKEULS-UHFFFAOYSA-N -1 1 367.134 3.465 20 5 FGBDMM COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000553219839 504855307 /nfs/dbraw/zinc/85/53/07/504855307.db2.gz OZKZOTLBCIKKBN-WFASDCNBSA-N -1 1 371.393 3.317 20 5 FGBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H](C)CC(=O)[O-])cc1OC ZINC000565786533 504987583 /nfs/dbraw/zinc/98/75/83/504987583.db2.gz DLGZYFXWMGSISH-STQMWFEESA-N -1 1 368.430 3.323 20 5 FGBDMM O=c1[n-]nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)o1 ZINC000550346705 505026913 /nfs/dbraw/zinc/02/69/13/505026913.db2.gz PQZSSJIRZAPCHG-CYBMUJFWSA-N -1 1 367.365 3.129 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)s1 ZINC000557225423 505095696 /nfs/dbraw/zinc/09/56/96/505095696.db2.gz CMQXBSQQJQWAAX-UHFFFAOYSA-N -1 1 354.434 3.350 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000551116678 505160772 /nfs/dbraw/zinc/16/07/72/505160772.db2.gz AKSUCTPYMSZNQS-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM CCOc1cc(C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000566802448 505276030 /nfs/dbraw/zinc/27/60/30/505276030.db2.gz IOZBZMPKNLAQCN-HXUWFJFHSA-N -1 1 370.405 3.222 20 5 FGBDMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc2)n1 ZINC000582955015 506508021 /nfs/dbraw/zinc/50/80/21/506508021.db2.gz BQDFTOLYSGRRGC-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000590565871 506861688 /nfs/dbraw/zinc/86/16/88/506861688.db2.gz RRGCQYAORUUMEH-PHIMTYICSA-N -1 1 373.413 3.067 20 5 FGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1[C@H](C)CC(C(=O)[O-])C[C@H]1C ZINC000600676514 507060833 /nfs/dbraw/zinc/06/08/33/507060833.db2.gz YUUHXBMRERZXNX-CHWSQXEVSA-N -1 1 350.415 3.456 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000597869375 507144228 /nfs/dbraw/zinc/14/42/28/507144228.db2.gz FQZUOECUYRIGPG-UHFFFAOYSA-N -1 1 350.400 3.296 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)s1 ZINC000610266869 507166909 /nfs/dbraw/zinc/16/69/09/507166909.db2.gz MOCGOMATTMHTAH-ZDUSSCGKSA-N -1 1 352.437 3.476 20 5 FGBDMM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000598208395 507316301 /nfs/dbraw/zinc/31/63/01/507316301.db2.gz JBPVVIDTSYKAML-ZDUSSCGKSA-N -1 1 371.393 3.399 20 5 FGBDMM O=C([O-])[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000739503874 599790982 /nfs/dbraw/zinc/79/09/82/599790982.db2.gz BOFJEZOOPXOVLS-AWEZNQCLSA-N -1 1 365.183 3.273 20 5 FGBDMM CCN(CC)[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000737086422 600187777 /nfs/dbraw/zinc/18/77/77/600187777.db2.gz XIJKVBZCGCTYDF-QGZVFWFLSA-N -1 1 371.393 3.315 20 5 FGBDMM COc1cc(OC)cc([C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000832050894 602176389 /nfs/dbraw/zinc/17/63/89/602176389.db2.gz RVXJHFXBNQJELU-XIKOKIGWSA-N -1 1 374.393 3.397 20 5 FGBDMM COc1cccc(F)c1[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826216654 607567110 /nfs/dbraw/zinc/56/71/10/607567110.db2.gz ILQMMJAGGOMSDP-VIFPVBQESA-N -1 1 358.333 3.096 20 5 FGBDMM COc1cccc(F)c1[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826216654 607567111 /nfs/dbraw/zinc/56/71/11/607567111.db2.gz ILQMMJAGGOMSDP-VIFPVBQESA-N -1 1 358.333 3.096 20 5 FGBDMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000832006497 603568637 /nfs/dbraw/zinc/56/86/37/603568637.db2.gz SWCCAGYMJGJXPY-IUODEOHRSA-N -1 1 374.397 3.090 20 5 FGBDMM O=C([O-])[C@H]1CC12CCN(Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000833771984 604648209 /nfs/dbraw/zinc/64/82/09/604648209.db2.gz WOXACEULROCTOJ-OAHLLOKOSA-N -1 1 373.434 3.405 20 5 FGBDMM Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2C)o1 ZINC000832906877 604942945 /nfs/dbraw/zinc/94/29/45/604942945.db2.gz CVTZJZBTLKJFJE-UHFFFAOYSA-N -1 1 370.321 3.145 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCc1cc2ccccc2o1 ZINC000151396281 704922135 /nfs/dbraw/zinc/92/21/35/704922135.db2.gz LBTLJPSTUNNCRF-UHFFFAOYSA-N -1 1 364.354 3.001 20 5 FGBDMM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000159638989 705230156 /nfs/dbraw/zinc/23/01/56/705230156.db2.gz VYUPUBFANCACNR-SECBINFHSA-N -1 1 358.416 3.013 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1C ZINC000177723307 705637136 /nfs/dbraw/zinc/63/71/36/705637136.db2.gz NZGLBHFRMHYYSD-UHFFFAOYSA-N -1 1 369.330 3.060 20 5 FGBDMM CS[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000784378913 724848131 /nfs/dbraw/zinc/84/81/31/724848131.db2.gz YMYMORCGTARQFJ-GFCCVEGCSA-N -1 1 366.892 3.304 20 5 FGBDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)ccc2O1 ZINC000729964656 722463778 /nfs/dbraw/zinc/46/37/78/722463778.db2.gz KKRUDVISQCKQRD-SECBINFHSA-N -1 1 368.798 3.372 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2CN(C)C)cc1C ZINC000733868521 722501634 /nfs/dbraw/zinc/50/16/34/722501634.db2.gz KCRLDXKBCMSXMF-UHFFFAOYSA-N -1 1 363.439 3.074 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000742308287 722554975 /nfs/dbraw/zinc/55/49/75/722554975.db2.gz FLUWWMRQIISNBX-GXTWGEPZSA-N -1 1 366.826 3.158 20 5 FGBDMM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000752825373 722873758 /nfs/dbraw/zinc/87/37/58/722873758.db2.gz LWQQGVJUCPAXOK-UHFFFAOYSA-N -1 1 352.137 3.197 20 5 FGBDMM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N-]OCc1ccc(F)cc1 ZINC000790564755 723153512 /nfs/dbraw/zinc/15/35/12/723153512.db2.gz OMBPQRFDDOFSAJ-UHFFFAOYSA-N -1 1 356.712 3.317 20 5 FGBDMM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000773362375 723783545 /nfs/dbraw/zinc/78/35/45/723783545.db2.gz ZHIYUMSKNVHBMO-SNVBAGLBSA-N -1 1 369.830 3.245 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccncc1 ZINC000786980222 725011336 /nfs/dbraw/zinc/01/13/36/725011336.db2.gz XYGBYCGHGGJQHN-LBPRGKRZSA-N -1 1 373.793 3.212 20 5 FGBDMM CC(C)SCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809845826 725272765 /nfs/dbraw/zinc/27/27/65/725272765.db2.gz XYPZOSFWIYZGLP-UHFFFAOYSA-N -1 1 373.283 3.322 20 5 FGBDMM C[C@@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(Cl)Cl ZINC000832153430 729693345 /nfs/dbraw/zinc/69/33/45/729693345.db2.gz UACVWQYUKHRQSD-JTQLQIEISA-N -1 1 373.645 3.110 20 5 FGBDMM Cc1nc(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)sc1C(=O)[O-] ZINC000872165492 735598479 /nfs/dbraw/zinc/59/84/79/735598479.db2.gz VRWLLLHQGNZQIZ-UHFFFAOYSA-N -1 1 361.423 3.438 20 5 FGBDMM O=C([O-])[C@]1(F)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000901517293 743295202 /nfs/dbraw/zinc/29/52/02/743295202.db2.gz ZJIJCHVWSQUAAE-INIZCTEOSA-N -1 1 350.371 3.322 20 5 FGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1nc(N2CCCC2)ncc1Cl ZINC000917610841 758248684 /nfs/dbraw/zinc/24/86/84/758248684.db2.gz DVFGLRGFMRKVPC-UHFFFAOYSA-N -1 1 365.752 3.030 20 5 FGBDMM O=C([N-]c1c(F)cc(F)cc1F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000072505484 494188049 /nfs/dbraw/zinc/18/80/49/494188049.db2.gz MWYWYRTWXPCSOO-UHFFFAOYSA-N -1 1 354.240 3.036 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000055619395 494373888 /nfs/dbraw/zinc/37/38/88/494373888.db2.gz ALETXGULZWISPF-UHFFFAOYSA-N -1 1 350.396 3.491 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000022747803 494532282 /nfs/dbraw/zinc/53/22/82/494532282.db2.gz VLHNWNRWOBUDKX-UHFFFAOYSA-N -1 1 356.363 3.374 20 5 FGBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(-c2cccnc2)cc1 ZINC000128328084 495080446 /nfs/dbraw/zinc/08/04/46/495080446.db2.gz ODORWTSUDHTDRH-GFCCVEGCSA-N -1 1 364.361 3.248 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000176324027 495600082 /nfs/dbraw/zinc/60/00/82/495600082.db2.gz PXUXWRDEWDKQCX-UHFFFAOYSA-N -1 1 368.176 3.201 20 5 FGBDMM COC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1C1CCCC1 ZINC000182533686 495603304 /nfs/dbraw/zinc/60/33/04/495603304.db2.gz UQRBFWJDZBXZML-UHFFFAOYSA-N -1 1 365.367 3.341 20 5 FGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1Cl ZINC000185683398 495678472 /nfs/dbraw/zinc/67/84/72/495678472.db2.gz FTHITQDUIMEAKO-SSDOTTSWSA-N -1 1 356.165 3.493 20 5 FGBDMM Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)n[nH]1 ZINC000160681679 496018126 /nfs/dbraw/zinc/01/81/26/496018126.db2.gz FNMPFGPUPJVTNF-UHFFFAOYSA-N -1 1 374.378 3.219 20 5 FGBDMM Cc1nc(-c2ccc(NCCc3ccc([N+](=O)[O-])cc3)nc2)[n-]c(=O)c1C ZINC000174697766 496067217 /nfs/dbraw/zinc/06/72/17/496067217.db2.gz YARKGOPVXLJPJZ-UHFFFAOYSA-N -1 1 365.393 3.012 20 5 FGBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000186920325 496211178 /nfs/dbraw/zinc/21/11/78/496211178.db2.gz CIOSOEHEIRLFET-LLVKDONJSA-N -1 1 367.308 3.178 20 5 FGBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1OC(F)F ZINC000186920304 496211710 /nfs/dbraw/zinc/21/17/10/496211710.db2.gz CIOSOEHEIRLFET-NSHDSACASA-N -1 1 367.308 3.178 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1C ZINC000165168050 496651468 /nfs/dbraw/zinc/65/14/68/496651468.db2.gz XSPHPJSZHLBXFC-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000261398466 497409671 /nfs/dbraw/zinc/40/96/71/497409671.db2.gz KCUAPSKBQYQXLQ-UHFFFAOYSA-N -1 1 361.301 3.410 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000366911215 499112955 /nfs/dbraw/zinc/11/29/55/499112955.db2.gz UQATVSINWUXSPK-MRXNPFEDSA-N -1 1 365.748 3.060 20 5 FGBDMM CC(C)N1CCc2nc(/C=C/c3ncc([N+](=O)[O-])cc3C(=O)[O-])sc2C1 ZINC000368481185 499300286 /nfs/dbraw/zinc/30/02/86/499300286.db2.gz FXERVNAVPQQDMG-ONEGZZNKSA-N -1 1 374.422 3.081 20 5 FGBDMM COc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc(Cl)c1[O-] ZINC000443077593 500676032 /nfs/dbraw/zinc/67/60/32/500676032.db2.gz VAMFREAQMNKVJF-UHFFFAOYSA-N -1 1 362.769 3.161 20 5 FGBDMM Cc1c(Br)cc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000438809553 500821330 /nfs/dbraw/zinc/82/13/30/500821330.db2.gz WNUBCFFZBHYUFP-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM CC(C)c1nc2ccccc2n1Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000445661468 501016480 /nfs/dbraw/zinc/01/64/80/501016480.db2.gz GRVSFOKHUCKRBW-UHFFFAOYSA-N -1 1 352.354 3.494 20 5 FGBDMM CCOc1cccc2[nH]cc(Cc3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)c21 ZINC000445764960 501029769 /nfs/dbraw/zinc/02/97/69/501029769.db2.gz KKRUGXUPFOPYFJ-UHFFFAOYSA-N -1 1 353.338 3.444 20 5 FGBDMM COc1cc(Cc2noc(-c3ccc(C)cc3[O-])n2)c([N+](=O)[O-])c(OC)c1 ZINC000445821462 501037853 /nfs/dbraw/zinc/03/78/53/501037853.db2.gz YQLXXEFCMJQYBZ-UHFFFAOYSA-N -1 1 371.349 3.267 20 5 FGBDMM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1ccc([N+](=O)[O-])cc1F ZINC000478316025 501940073 /nfs/dbraw/zinc/94/00/73/501940073.db2.gz QSBIHEGWUJCWKU-UHFFFAOYSA-N -1 1 363.255 3.050 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2noc([N-]c3ccc(N4CCCCC4)nc3)n2)cc1 ZINC000486453168 502158500 /nfs/dbraw/zinc/15/85/00/502158500.db2.gz TURDHGDLBMELBX-UHFFFAOYSA-N -1 1 366.381 3.196 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000473775349 502704198 /nfs/dbraw/zinc/70/41/98/502704198.db2.gz WQCXJLGCDBMQAZ-UHFFFAOYSA-N -1 1 361.423 3.005 20 5 FGBDMM CCc1cc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)ccc1F ZINC000507568381 503324468 /nfs/dbraw/zinc/32/44/68/503324468.db2.gz OMRLFJPXSJGBEW-UHFFFAOYSA-N -1 1 372.349 3.245 20 5 FGBDMM O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000512468350 503561799 /nfs/dbraw/zinc/56/17/99/503561799.db2.gz LTXKPFUIQLCPAA-GWCFXTLKSA-N -1 1 367.283 3.000 20 5 FGBDMM CS[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000543166205 503654569 /nfs/dbraw/zinc/65/45/69/503654569.db2.gz GSLXNWAOAAPPCH-LLVKDONJSA-N -1 1 366.892 3.304 20 5 FGBDMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000543858288 503918428 /nfs/dbraw/zinc/91/84/28/503918428.db2.gz LDJDTBZYAFXMRS-UHFFFAOYSA-N -1 1 350.396 3.357 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000534641324 504200347 /nfs/dbraw/zinc/20/03/47/504200347.db2.gz WJUMDMHHOHQMBB-AWEZNQCLSA-N -1 1 367.814 3.073 20 5 FGBDMM CC(C)c1ccc(O[C@@H](C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000521482444 504745396 /nfs/dbraw/zinc/74/53/96/504745396.db2.gz REUXPITYYNINJN-LBPRGKRZSA-N -1 1 359.382 3.016 20 5 FGBDMM C[C@]1(c2ccccc2)CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000554631066 505227511 /nfs/dbraw/zinc/22/75/11/505227511.db2.gz CJLJHBXEEXEROH-IBGZPJMESA-N -1 1 355.394 3.279 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000564558844 505452800 /nfs/dbraw/zinc/45/28/00/505452800.db2.gz ONDHSTISPZQRQS-LLVKDONJSA-N -1 1 362.407 3.281 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000610086204 507095190 /nfs/dbraw/zinc/09/51/90/507095190.db2.gz GLTPRICBEROKNU-UHFFFAOYSA-N -1 1 370.789 3.355 20 5 FGBDMM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc21 ZINC000598208394 507315950 /nfs/dbraw/zinc/31/59/50/507315950.db2.gz JBPVVIDTSYKAML-CYBMUJFWSA-N -1 1 371.393 3.399 20 5 FGBDMM CCc1ccc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)cc1[N+](=O)[O-] ZINC000592352838 507613456 /nfs/dbraw/zinc/61/34/56/507613456.db2.gz DOKQHEYPBYQEIL-UHFFFAOYSA-N -1 1 350.396 3.280 20 5 FGBDMM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000614857006 507675393 /nfs/dbraw/zinc/67/53/93/507675393.db2.gz VIICUDSPZLKINX-UHFFFAOYSA-N -1 1 360.741 3.258 20 5 FGBDMM Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000738477097 600637763 /nfs/dbraw/zinc/63/77/63/600637763.db2.gz MFFJICXIMYUORN-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM CC[C@@H](NCc1cc(C(=O)[O-])cc(C(=O)OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000833643742 605174334 /nfs/dbraw/zinc/17/43/34/605174334.db2.gz FUOSTUOTZHNYGP-QGZVFWFLSA-N -1 1 372.377 3.321 20 5 FGBDMM CCOc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000154251052 705027468 /nfs/dbraw/zinc/02/74/68/705027468.db2.gz YHVLWNNJWHGOJV-UHFFFAOYSA-N -1 1 354.359 3.242 20 5 FGBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1[N+](=O)[O-] ZINC000172893110 705433984 /nfs/dbraw/zinc/43/39/84/705433984.db2.gz NXIMUKRDVDCEDL-UHFFFAOYSA-N -1 1 364.276 3.260 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccncc1 ZINC000173223831 705449297 /nfs/dbraw/zinc/44/92/97/705449297.db2.gz VANODZMTWARYJO-LBPRGKRZSA-N -1 1 355.803 3.073 20 5 FGBDMM Cc1cc(C)cc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000524871811 714306983 /nfs/dbraw/zinc/30/69/83/714306983.db2.gz LASPVXBAJRFDOV-UHFFFAOYSA-N -1 1 368.842 3.386 20 5 FGBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000619467452 714840194 /nfs/dbraw/zinc/84/01/94/714840194.db2.gz IGXLBMKDMRSLIY-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)c1C ZINC000731782419 722478056 /nfs/dbraw/zinc/47/80/56/722478056.db2.gz DGNUUOUMMKEWIP-UHFFFAOYSA-N -1 1 363.439 3.387 20 5 FGBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1cccs1 ZINC000742311276 722554959 /nfs/dbraw/zinc/55/49/59/722554959.db2.gz AOFDHYUCIAWTQH-SNVBAGLBSA-N -1 1 374.871 3.467 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)c1 ZINC000758408262 722989237 /nfs/dbraw/zinc/98/92/37/722989237.db2.gz QEHOJGDZMRWTAD-UHFFFAOYSA-N -1 1 363.439 3.387 20 5 FGBDMM Cc1c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c2ccccc2n1C ZINC000789738230 723069761 /nfs/dbraw/zinc/06/97/61/723069761.db2.gz UOFITLZYMWECDH-UHFFFAOYSA-N -1 1 363.370 3.335 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCc2ccc(F)cc21 ZINC000795273881 723577970 /nfs/dbraw/zinc/57/79/70/723577970.db2.gz IZNIFCBQLQBWRJ-CQSZACIVSA-N -1 1 368.361 3.229 20 5 FGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1Cl ZINC000768869024 723670314 /nfs/dbraw/zinc/67/03/14/723670314.db2.gz QZFAJFUPEDOHJG-UHFFFAOYSA-N -1 1 368.798 3.374 20 5 FGBDMM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000773362374 723783563 /nfs/dbraw/zinc/78/35/63/723783563.db2.gz ZHIYUMSKNVHBMO-JTQLQIEISA-N -1 1 369.830 3.245 20 5 FGBDMM C[C@@]([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)(C1CC1)C(F)(F)F ZINC000775211952 723971633 /nfs/dbraw/zinc/97/16/33/723971633.db2.gz SWNMUAJDKPIRRU-LLVKDONJSA-N -1 1 372.752 3.258 20 5 FGBDMM CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809845027 725272703 /nfs/dbraw/zinc/27/27/03/725272703.db2.gz AQDBBVVSDCKNBX-LLVKDONJSA-N -1 1 353.227 3.369 20 5 FGBDMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811832684 725382204 /nfs/dbraw/zinc/38/22/04/725382204.db2.gz VRIGNIVKOAQVTL-UHFFFAOYSA-N -1 1 372.834 3.443 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)c1Cl ZINC000832660002 729725318 /nfs/dbraw/zinc/72/53/18/729725318.db2.gz ORTBIZYOPFSRHO-IUCAKERBSA-N -1 1 365.238 3.226 20 5 FGBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CS1 ZINC000841556743 730255939 /nfs/dbraw/zinc/25/59/39/730255939.db2.gz AYACJWRUGPPQIJ-NKWVEPMBSA-N -1 1 371.267 3.074 20 5 FGBDMM O=C([O-])[C@H]1CC12CCN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 ZINC000901499648 743291144 /nfs/dbraw/zinc/29/11/44/743291144.db2.gz NYVIJVHFVVKXKT-GFCCVEGCSA-N -1 1 358.316 3.300 20 5 FGBDMM C[C@@H](CN(Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1)C(=O)[O-] ZINC000901993603 743694483 /nfs/dbraw/zinc/69/44/83/743694483.db2.gz RLHMXWNSLAGLTR-ZETCQYMHSA-N -1 1 363.233 3.104 20 5 FGBDMM CCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)s1 ZINC000059241646 493902265 /nfs/dbraw/zinc/90/22/65/493902265.db2.gz GDRVPYKMYJIBLK-UHFFFAOYSA-N -1 1 365.371 3.258 20 5 FGBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1[O-] ZINC000065124139 494174568 /nfs/dbraw/zinc/17/45/68/494174568.db2.gz WYTGJOURYILXKO-UHFFFAOYSA-N -1 1 365.183 3.035 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000055565499 494361965 /nfs/dbraw/zinc/36/19/65/494361965.db2.gz VTCIODSZFAGRHX-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000117376220 494915090 /nfs/dbraw/zinc/91/50/90/494915090.db2.gz UIVJTMXBKXRNQD-UWVGGRQHSA-N -1 1 364.876 3.201 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)cc1[N+](=O)[O-] ZINC000132724319 494915485 /nfs/dbraw/zinc/91/54/85/494915485.db2.gz USFOQGSKVZHICS-UHFFFAOYSA-N -1 1 359.363 3.359 20 5 FGBDMM O=C(Nc1cccc([O-])c1F)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000128339223 495081727 /nfs/dbraw/zinc/08/17/27/495081727.db2.gz VBRZYVOUCZWHDF-UHFFFAOYSA-N -1 1 355.119 3.454 20 5 FGBDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)on1 ZINC000173493997 495557588 /nfs/dbraw/zinc/55/75/88/495557588.db2.gz WCXROHYYTRISLR-UHFFFAOYSA-N -1 1 367.427 3.273 20 5 FGBDMM CCc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)[n-]c(=O)c1C ZINC000571702601 505794217 /nfs/dbraw/zinc/79/42/17/505794217.db2.gz NYHFKRAXBBDQGK-UHFFFAOYSA-N -1 1 363.395 3.120 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1nccs1 ZINC000159980691 495856088 /nfs/dbraw/zinc/85/60/88/495856088.db2.gz SFRXBPIGZNTBKC-NSHDSACASA-N -1 1 355.441 3.098 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(CCc2ccccc2)CC1 ZINC000186824779 496168994 /nfs/dbraw/zinc/16/89/94/496168994.db2.gz GBNMPXXGEXLKRU-UHFFFAOYSA-N -1 1 355.394 3.180 20 5 FGBDMM CCCCc1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[nH]n1 ZINC000152566097 496190021 /nfs/dbraw/zinc/19/00/21/496190021.db2.gz NJCQAURRLRDZOS-UHFFFAOYSA-N -1 1 352.416 3.078 20 5 FGBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3cccs3)on2)cc([N+](=O)[O-])c1 ZINC000172345553 496262282 /nfs/dbraw/zinc/26/22/82/496262282.db2.gz KIIBDNIIOCFOMC-UHFFFAOYSA-N -1 1 373.346 3.350 20 5 FGBDMM Cc1cc(Cl)cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1O ZINC000157215561 496430327 /nfs/dbraw/zinc/43/03/27/496430327.db2.gz SAEFUNMREGEZLD-UHFFFAOYSA-N -1 1 370.814 3.247 20 5 FGBDMM Cc1nc(-c2ccccc2)sc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188384766 496772072 /nfs/dbraw/zinc/77/20/72/496772072.db2.gz UOPJBMXGVRJAQU-UHFFFAOYSA-N -1 1 370.390 3.057 20 5 FGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000188441612 496791173 /nfs/dbraw/zinc/79/11/73/496791173.db2.gz RUIUWNXWDRJOEV-SNVBAGLBSA-N -1 1 370.390 3.310 20 5 FGBDMM CCn1ncc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc21 ZINC000195328389 496890849 /nfs/dbraw/zinc/89/08/49/496890849.db2.gz LVGPBCWAHQSEHE-UHFFFAOYSA-N -1 1 360.395 3.074 20 5 FGBDMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)ccc12 ZINC000191798826 496893393 /nfs/dbraw/zinc/89/33/93/496893393.db2.gz OHSULWDZHABXFF-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)ccc12 ZINC000191798826 496893398 /nfs/dbraw/zinc/89/33/98/496893398.db2.gz OHSULWDZHABXFF-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCC(F)(F)F)Cc1ccccc1 ZINC000191946140 496938861 /nfs/dbraw/zinc/93/88/61/496938861.db2.gz KCMUZJPVMFMFOE-UHFFFAOYSA-N -1 1 369.299 3.290 20 5 FGBDMM CN(c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-])C1CCC1 ZINC000301518053 498143642 /nfs/dbraw/zinc/14/36/42/498143642.db2.gz DMSTULOUDBBRIC-UHFFFAOYSA-N -1 1 361.423 3.384 20 5 FGBDMM C[C@H](C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000581703911 506047796 /nfs/dbraw/zinc/04/77/96/506047796.db2.gz WJOLKEXFFWMOED-JTQLQIEISA-N -1 1 372.331 3.427 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cc1F ZINC000414388034 499785064 /nfs/dbraw/zinc/78/50/64/499785064.db2.gz ZTNQIPQTTMLXGD-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc2cccnc21 ZINC000427649484 500416340 /nfs/dbraw/zinc/41/63/40/500416340.db2.gz YKDYQYHFUMGCRS-UHFFFAOYSA-N -1 1 373.390 3.261 20 5 FGBDMM COc1cc(OC)cc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000428694883 500544707 /nfs/dbraw/zinc/54/47/07/500544707.db2.gz UMGLAGLPGHARGX-UHFFFAOYSA-N -1 1 368.349 3.254 20 5 FGBDMM COc1ccc(NC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])c([O-])c1 ZINC000443569726 500739820 /nfs/dbraw/zinc/73/98/20/500739820.db2.gz VKCJSTSHSYSVDH-UHFFFAOYSA-N -1 1 364.379 3.292 20 5 FGBDMM Cc1cccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(F)(F)F)c1 ZINC000445162476 500950955 /nfs/dbraw/zinc/95/09/55/500950955.db2.gz RTTBKWYUQCDLIY-GFCCVEGCSA-N -1 1 355.272 3.037 20 5 FGBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)Nc1cccc2ccccc21 ZINC000445331186 500974454 /nfs/dbraw/zinc/97/44/54/500974454.db2.gz IZFONTAOPAZLBP-UHFFFAOYSA-N -1 1 363.333 3.307 20 5 FGBDMM Cc1ccc([C@@H](CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)N(C)C)cc1 ZINC000486967068 502318398 /nfs/dbraw/zinc/31/83/98/502318398.db2.gz HHXOYKWCVOUQBP-QGZVFWFLSA-N -1 1 367.409 3.090 20 5 FGBDMM Cc1sc(C(=O)[N-]c2n[nH]c(-c3c(F)cccc3F)n2)cc1[N+](=O)[O-] ZINC000479764432 502370682 /nfs/dbraw/zinc/37/06/82/502370682.db2.gz SKYNDMYGNZJXBX-UHFFFAOYSA-N -1 1 365.321 3.280 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@@H]1Cc1ccccc1 ZINC000462488301 502460270 /nfs/dbraw/zinc/46/02/70/502460270.db2.gz HZCJWJVYZGPLLB-JSGCOSHPSA-N -1 1 366.826 3.158 20 5 FGBDMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000470440475 502774645 /nfs/dbraw/zinc/77/46/45/502774645.db2.gz HXJQQDJMSFLEOE-SECBINFHSA-N -1 1 360.395 3.087 20 5 FGBDMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488948664 502845151 /nfs/dbraw/zinc/84/51/51/502845151.db2.gz UIXDHERMSNOFAK-BDAKNGLRSA-N -1 1 365.249 3.070 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2F)s1 ZINC000490029836 503094138 /nfs/dbraw/zinc/09/41/38/503094138.db2.gz YMLCYOHFMVXMOH-UHFFFAOYSA-N -1 1 356.400 3.151 20 5 FGBDMM Cc1cccc(C)c1OC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000512774960 503629088 /nfs/dbraw/zinc/62/90/88/503629088.db2.gz LRLCPHKFTGQIML-LBPRGKRZSA-N -1 1 370.452 3.019 20 5 FGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1CCC2(CCCCC2)CC1 ZINC000527291118 503754682 /nfs/dbraw/zinc/75/46/82/503754682.db2.gz FSAUJIPBBDIOQI-UHFFFAOYSA-N -1 1 353.444 3.161 20 5 FGBDMM O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000517492238 503756117 /nfs/dbraw/zinc/75/61/17/503756117.db2.gz PFYKNQBGEPLRDW-UHFFFAOYSA-N -1 1 356.363 3.234 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCc2ccccc2C1 ZINC000518660510 504037822 /nfs/dbraw/zinc/03/78/22/504037822.db2.gz RZYVQRZMJNFDDK-ZDUSSCGKSA-N -1 1 366.826 3.084 20 5 FGBDMM CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000518857797 504080294 /nfs/dbraw/zinc/08/02/94/504080294.db2.gz AEUROYYJIXHABI-UHFFFAOYSA-N -1 1 356.260 3.152 20 5 FGBDMM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000545350990 504456238 /nfs/dbraw/zinc/45/62/38/504456238.db2.gz MOUOBDHGOBDVJM-HAQNSBGRSA-N -1 1 352.437 3.189 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000542928191 504661290 /nfs/dbraw/zinc/66/12/90/504661290.db2.gz PYRCHLAWLSCFPG-UHFFFAOYSA-N -1 1 350.396 3.491 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n[nH]c1-c1ccccc1 ZINC000536308926 504693562 /nfs/dbraw/zinc/69/35/62/504693562.db2.gz UTASSLZBFDJZHB-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c(C)c1C ZINC000536460685 504740072 /nfs/dbraw/zinc/74/00/72/504740072.db2.gz VLKIRFOJTHMXMF-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 ZINC000556342723 504849525 /nfs/dbraw/zinc/84/95/25/504849525.db2.gz YHXOCCROCAYMBR-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM O=C(NC1(Cc2ccc(Cl)cc2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000561054348 505239376 /nfs/dbraw/zinc/23/93/76/505239376.db2.gz BNVXRBIXQJEDII-UHFFFAOYSA-N -1 1 361.785 3.244 20 5 FGBDMM COC(=O)c1cc(C)nc([N-]c2cnn(-c3ccccc3F)c2)c1[N+](=O)[O-] ZINC000561238249 505289295 /nfs/dbraw/zinc/28/92/95/505289295.db2.gz ZCUKRNDKJCQORL-UHFFFAOYSA-N -1 1 371.328 3.153 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CC[C@@H]2C[C@@H]2C1 ZINC000596509029 506440344 /nfs/dbraw/zinc/44/03/44/506440344.db2.gz GZQACBXSFNEGLN-ZIAGYGMSSA-N -1 1 373.434 3.242 20 5 FGBDMM O=C([O-])[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000593743659 506757536 /nfs/dbraw/zinc/75/75/36/506757536.db2.gz HJDPKRKSXQFQRH-SFHVURJKSA-N -1 1 356.378 3.048 20 5 FGBDMM C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743579 506757744 /nfs/dbraw/zinc/75/77/44/506757744.db2.gz KEOVFBHWXITHJM-KPZWWZAWSA-N -1 1 356.378 3.117 20 5 FGBDMM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743579 506757747 /nfs/dbraw/zinc/75/77/47/506757747.db2.gz KEOVFBHWXITHJM-KPZWWZAWSA-N -1 1 356.378 3.117 20 5 FGBDMM O=C([O-])CC[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000593753073 506761066 /nfs/dbraw/zinc/76/10/66/506761066.db2.gz QRUWURUGLLKVJF-ZDUSSCGKSA-N -1 1 359.382 3.327 20 5 FGBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000590399529 506810077 /nfs/dbraw/zinc/81/00/77/506810077.db2.gz ZLBSDRXDPAMZSU-UHFFFAOYSA-N -1 1 354.322 3.377 20 5 FGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21 ZINC000600673639 507058158 /nfs/dbraw/zinc/05/81/58/507058158.db2.gz GTKSENQCCUDUJN-IXDOHACOSA-N -1 1 362.426 3.457 20 5 FGBDMM COc1ccc(C2(NCc3cc([O-])ccc3[N+](=O)[O-])CCOCC2)cc1 ZINC000610787912 507390287 /nfs/dbraw/zinc/39/02/87/507390287.db2.gz KLQOHLUNSFRYJO-UHFFFAOYSA-N -1 1 358.394 3.105 20 5 FGBDMM COC(=O)c1cc(Cl)cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1O ZINC000588097602 507761901 /nfs/dbraw/zinc/76/19/01/507761901.db2.gz WWOZYWWNCKWTDN-UHFFFAOYSA-N -1 1 356.743 3.054 20 5 FGBDMM O=C([O-])CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000739723094 600327502 /nfs/dbraw/zinc/32/75/02/600327502.db2.gz DRIBACYXQMBJAE-UHFFFAOYSA-N -1 1 350.321 3.350 20 5 FGBDMM O=C([O-])CCN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)c(F)c1 ZINC000739720239 600327701 /nfs/dbraw/zinc/32/77/01/600327701.db2.gz MTXPQUBZFBGBPI-UHFFFAOYSA-N -1 1 350.321 3.350 20 5 FGBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825148842 607450120 /nfs/dbraw/zinc/45/01/20/607450120.db2.gz UQMJJFPQSDFNBF-OAHLLOKOSA-N -1 1 354.370 3.347 20 5 FGBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825148842 607450122 /nfs/dbraw/zinc/45/01/22/607450122.db2.gz UQMJJFPQSDFNBF-OAHLLOKOSA-N -1 1 354.370 3.347 20 5 FGBDMM O=C([O-])C=Cc1ccc(NCCc2nc3ccc(F)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000833197112 601246375 /nfs/dbraw/zinc/24/63/75/601246375.db2.gz JQUNOMVHNCBSGN-QHHAFSJGSA-N -1 1 370.340 3.363 20 5 FGBDMM C[C@H](CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1)C(=O)[O-] ZINC000827456038 601312352 /nfs/dbraw/zinc/31/23/52/601312352.db2.gz QZXBOHBSDSMBTN-CYBMUJFWSA-N -1 1 369.377 3.459 20 5 FGBDMM COc1ccc(CN2CCCC[C@@H]2[C@H]2CCCN2C(=O)[O-])cc1[N+](=O)[O-] ZINC000739906173 601926596 /nfs/dbraw/zinc/92/65/96/601926596.db2.gz LFMQPUGJXFSVTQ-HUUCEWRRSA-N -1 1 363.414 3.100 20 5 FGBDMM CC(=CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000833383782 605366391 /nfs/dbraw/zinc/36/63/91/605366391.db2.gz PPNWAUAGFASTCM-KTKRTIGZSA-N -1 1 366.333 3.211 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(-c2cscn2)cc1 ZINC000823629731 606716326 /nfs/dbraw/zinc/71/63/26/606716326.db2.gz GBDNKLXIIMMYQE-UHFFFAOYSA-N -1 1 367.350 3.086 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(-c2cscn2)cc1 ZINC000823629731 606716328 /nfs/dbraw/zinc/71/63/28/606716328.db2.gz GBDNKLXIIMMYQE-UHFFFAOYSA-N -1 1 367.350 3.086 20 5 FGBDMM O=[N+]([O-])c1ccc(CSc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000826498537 607821023 /nfs/dbraw/zinc/82/10/23/607821023.db2.gz ZSVOJIRCVUNDGK-UHFFFAOYSA-N -1 1 365.378 3.010 20 5 FGBDMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000048801727 695889613 /nfs/dbraw/zinc/88/96/13/695889613.db2.gz HYGQHAUWJAFLOR-BDAKNGLRSA-N -1 1 365.249 3.070 20 5 FGBDMM Cc1nn(C)c2sc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)cc12 ZINC000073481227 695969298 /nfs/dbraw/zinc/96/92/98/695969298.db2.gz ULIDXEPHZXAKJR-UHFFFAOYSA-N -1 1 352.322 3.382 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC000132269225 700825845 /nfs/dbraw/zinc/82/58/45/700825845.db2.gz YQOIHKOSMBMGEZ-UHFFFAOYSA-N -1 1 354.359 3.242 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1(Cc2ccccc2)CC1 ZINC000158384987 705184152 /nfs/dbraw/zinc/18/41/52/705184152.db2.gz AGFIAVWQYQSGIH-UHFFFAOYSA-N -1 1 364.398 3.035 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000194335363 713519106 /nfs/dbraw/zinc/51/91/06/713519106.db2.gz VYYLTOPSPLBKJZ-CQSZACIVSA-N -1 1 368.386 3.172 20 5 FGBDMM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000755179839 722951061 /nfs/dbraw/zinc/95/10/61/722951061.db2.gz MWCNJVLRTQPDTR-QMMMGPOBSA-N -1 1 358.313 3.133 20 5 FGBDMM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725817856 722423378 /nfs/dbraw/zinc/42/33/78/722423378.db2.gz OLEBRTYIXAEMLW-SNVBAGLBSA-N -1 1 358.803 3.141 20 5 FGBDMM Cc1cccc(C)c1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000765225514 723496233 /nfs/dbraw/zinc/49/62/33/723496233.db2.gz VAGSQSYGPCJTQT-UHFFFAOYSA-N -1 1 354.815 3.344 20 5 FGBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000794866280 723549458 /nfs/dbraw/zinc/54/94/58/723549458.db2.gz NQLBHKSAYOMBGH-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc2[nH]ncc21 ZINC000766330102 723568650 /nfs/dbraw/zinc/56/86/50/723568650.db2.gz RYKTXWHEXFPCML-UHFFFAOYSA-N -1 1 366.786 3.234 20 5 FGBDMM CC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)ccc1F ZINC000795366176 723585391 /nfs/dbraw/zinc/58/53/91/723585391.db2.gz GVGQPRDLYVHEJV-UHFFFAOYSA-N -1 1 370.333 3.185 20 5 FGBDMM C[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809810420 725270065 /nfs/dbraw/zinc/27/00/65/725270065.db2.gz XIODVFYRBZDHSB-ZETCQYMHSA-N -1 1 353.227 3.226 20 5 FGBDMM CC(F)(F)c1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000814397022 726962347 /nfs/dbraw/zinc/96/23/47/726962347.db2.gz KWNANYXVWOYHFY-UHFFFAOYSA-N -1 1 374.340 3.324 20 5 FGBDMM C[C@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000845979537 730914786 /nfs/dbraw/zinc/91/47/86/730914786.db2.gz HVWVPZUIYPCNNF-RYUDHWBXSA-N -1 1 371.217 3.231 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCc2ccccc21 ZINC000918192185 758313661 /nfs/dbraw/zinc/31/36/61/758313661.db2.gz PSVBHHPJOBBWAG-CYBMUJFWSA-N -1 1 364.398 3.132 20 5 FGBDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923255013 759091355 /nfs/dbraw/zinc/09/13/55/759091355.db2.gz WXEJBQXSJLAOEI-ZJUUUORDSA-N -1 1 357.204 3.042 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1C ZINC000031534648 493947084 /nfs/dbraw/zinc/94/70/84/493947084.db2.gz DJMGEIFMRIETPL-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM COc1ccccc1-c1nc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)n[nH]1 ZINC000052779001 494061250 /nfs/dbraw/zinc/06/12/50/494061250.db2.gz SQLRTKSJWHPBHT-UHFFFAOYSA-N -1 1 359.367 3.011 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(CCc2ccccc2)CC1 ZINC000011453695 494178195 /nfs/dbraw/zinc/17/81/95/494178195.db2.gz FUVBIBMSCBLGOO-UHFFFAOYSA-N -1 1 355.394 3.180 20 5 FGBDMM CCCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000047454263 494713522 /nfs/dbraw/zinc/71/35/22/494713522.db2.gz MYRIHNFYJLBDLN-UHFFFAOYSA-N -1 1 350.396 3.493 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)ccc12 ZINC000093909532 494933974 /nfs/dbraw/zinc/93/39/74/494933974.db2.gz RSKKDCAOCLYEHN-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000093930994 494936498 /nfs/dbraw/zinc/93/64/98/494936498.db2.gz ZIADVIUFBKXTPW-UHFFFAOYSA-N -1 1 364.423 3.467 20 5 FGBDMM CCc1nc(S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000574339390 505750589 /nfs/dbraw/zinc/75/05/89/505750589.db2.gz GNYXZIJGRIXDLT-JTQLQIEISA-N -1 1 362.411 3.081 20 5 FGBDMM CCOC(=O)c1ccnc([N-]c2cnn(Cc3ccccc3)c2)c1[N+](=O)[O-] ZINC000133410241 495011052 /nfs/dbraw/zinc/01/10/52/495011052.db2.gz PLKCVBJDCSIWRE-UHFFFAOYSA-N -1 1 367.365 3.155 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000122929334 495054996 /nfs/dbraw/zinc/05/49/96/495054996.db2.gz OEQYKOVUJLXGTQ-UHFFFAOYSA-N -1 1 373.843 3.061 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000120391646 495366874 /nfs/dbraw/zinc/36/68/74/495366874.db2.gz UJOWRCJUTCWPHZ-GFCCVEGCSA-N -1 1 369.468 3.406 20 5 FGBDMM CCCc1[nH]nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000125363380 495432630 /nfs/dbraw/zinc/43/26/30/495432630.db2.gz PJKSGAPUFOLHRO-UHFFFAOYSA-N -1 1 358.276 3.247 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1 ZINC000147226743 495573087 /nfs/dbraw/zinc/57/30/87/495573087.db2.gz HSAXMPDYZBAXCP-WCQYABFASA-N -1 1 352.799 3.083 20 5 FGBDMM CCc1cccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000187182404 496328856 /nfs/dbraw/zinc/32/88/56/496328856.db2.gz FCPLSAQXSRWSAT-UHFFFAOYSA-N -1 1 354.359 3.106 20 5 FGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000162945546 496437831 /nfs/dbraw/zinc/43/78/31/496437831.db2.gz LHIWWIUBNXEDHV-SNVBAGLBSA-N -1 1 352.416 3.331 20 5 FGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000157343893 496458575 /nfs/dbraw/zinc/45/85/75/496458575.db2.gz FSANTXWEHVOJGA-GFCCVEGCSA-N -1 1 366.443 3.206 20 5 FGBDMM O=c1nc(-c2ccc([N+](=O)[O-])s2)[n-]c2sc3c(c21)CCSC3 ZINC000165050276 496646369 /nfs/dbraw/zinc/64/63/69/496646369.db2.gz OPXNKNJNASQVFU-UHFFFAOYSA-N -1 1 351.434 3.411 20 5 FGBDMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191799279 496893328 /nfs/dbraw/zinc/89/33/28/496893328.db2.gz HKEUVXXIGOLKDR-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(/C=C\c2ccco2)s1 ZINC000255033906 497356911 /nfs/dbraw/zinc/35/69/11/497356911.db2.gz PUYTZVNIDNDNAJ-ALCCZGGFSA-N -1 1 372.362 3.471 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCc1ccc(F)cc1)C1CCCC1 ZINC000193691118 497447495 /nfs/dbraw/zinc/44/74/95/497447495.db2.gz SARAVAHKYIZZLP-UHFFFAOYSA-N -1 1 373.384 3.462 20 5 FGBDMM CSCC[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000277255082 497788753 /nfs/dbraw/zinc/78/87/53/497788753.db2.gz KEYIQOPXNASLGM-AWEZNQCLSA-N -1 1 350.396 3.151 20 5 FGBDMM CSCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000301062257 497934304 /nfs/dbraw/zinc/93/43/04/497934304.db2.gz UPTYNXCWYIOBHX-UHFFFAOYSA-N -1 1 367.452 3.171 20 5 FGBDMM Cc1nc(-c2ccc(NCc3ccc([N+](=O)[O-])cc3)nc2)[n-]c(=O)c1C ZINC000301350698 498069820 /nfs/dbraw/zinc/06/98/20/498069820.db2.gz ISGQSVMBQXGTIR-UHFFFAOYSA-N -1 1 351.366 3.381 20 5 FGBDMM Cc1nc(-c2ccc(NCc3cccc([N+](=O)[O-])c3)nc2)[n-]c(=O)c1C ZINC000301375211 498082137 /nfs/dbraw/zinc/08/21/37/498082137.db2.gz RCMUBWLUDBUZAC-UHFFFAOYSA-N -1 1 351.366 3.381 20 5 FGBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000362758420 498550248 /nfs/dbraw/zinc/55/02/48/498550248.db2.gz KCVQGJMAQNIDRV-UHFFFAOYSA-N -1 1 361.785 3.448 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000412680774 499875113 /nfs/dbraw/zinc/87/51/13/499875113.db2.gz SZJXRBIWCMAXIO-MRXNPFEDSA-N -1 1 353.378 3.105 20 5 FGBDMM C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000421911150 500174565 /nfs/dbraw/zinc/17/45/65/500174565.db2.gz CZNZOJHKMFVQKT-GOSISDBHSA-N -1 1 359.357 3.072 20 5 FGBDMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000426723919 500310915 /nfs/dbraw/zinc/31/09/15/500310915.db2.gz ODIFMWBFFXMYRU-OAHLLOKOSA-N -1 1 368.748 3.311 20 5 FGBDMM Cc1nc([N+](=O)[O-])c(-c2noc(-c3ccc4ccccc4c3[O-])n2)n1C ZINC000445618828 501011976 /nfs/dbraw/zinc/01/19/76/501011976.db2.gz FZNDGEIRWSYBKQ-UHFFFAOYSA-N -1 1 351.322 3.213 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC000435731604 501019666 /nfs/dbraw/zinc/01/96/66/501019666.db2.gz MEWOTVFXFXCRDB-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM COc1ccc(OCCSc2nc(C3CC3)cc(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000436246797 501094847 /nfs/dbraw/zinc/09/48/47/501094847.db2.gz MILKYHALZSNSSQ-UHFFFAOYSA-N -1 1 363.395 3.148 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC000451640046 501342213 /nfs/dbraw/zinc/34/22/13/501342213.db2.gz JQOPYSXJPBLBKB-VIFPVBQESA-N -1 1 368.789 3.352 20 5 FGBDMM O=c1cc(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)nc2nc[n-]n21 ZINC000486123474 502055018 /nfs/dbraw/zinc/05/50/18/502055018.db2.gz GRMKKKOKWFWTSC-ZZXKWVIFSA-N -1 1 365.374 3.225 20 5 FGBDMM CC(C)[C@@H]1C[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000468484350 502075915 /nfs/dbraw/zinc/07/59/15/502075915.db2.gz RZPRIULSTZVWMO-LRDDRELGSA-N -1 1 355.394 3.352 20 5 FGBDMM Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1F ZINC000479897542 502412082 /nfs/dbraw/zinc/41/20/82/502412082.db2.gz SLDFITPKPGVRKT-UHFFFAOYSA-N -1 1 372.312 3.468 20 5 FGBDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])on1 ZINC000462417630 502430340 /nfs/dbraw/zinc/43/03/40/502430340.db2.gz FFUQJTOCBKSGFC-UHFFFAOYSA-N -1 1 367.427 3.273 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000462699828 502538890 /nfs/dbraw/zinc/53/88/90/502538890.db2.gz LMCXIJVCNGIVLK-GRYCIOLGSA-N -1 1 358.847 3.495 20 5 FGBDMM CC(C)(C)OC(=O)CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000473413095 502588795 /nfs/dbraw/zinc/58/87/95/502588795.db2.gz WYCROMZKGJPENG-UHFFFAOYSA-N -1 1 359.382 3.450 20 5 FGBDMM O=C(NCc1ccc(Oc2ccccc2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484752841 502731239 /nfs/dbraw/zinc/73/12/39/502731239.db2.gz KCGFWAVDYJWUIP-UHFFFAOYSA-N -1 1 365.345 3.418 20 5 FGBDMM CC(C)(C)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488860896 502827651 /nfs/dbraw/zinc/82/76/51/502827651.db2.gz XOCJYAOKAPUMSR-UHFFFAOYSA-N -1 1 365.249 3.072 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000491573017 503319699 /nfs/dbraw/zinc/31/96/99/503319699.db2.gz QALZVVILZIYHQO-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM CCOCCOc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000499268743 503369638 /nfs/dbraw/zinc/36/96/38/503369638.db2.gz SJDNLZMFSKVKPX-UHFFFAOYSA-N -1 1 353.762 3.244 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000515615182 503374523 /nfs/dbraw/zinc/37/45/23/503374523.db2.gz MUTVOKLRDZFJFY-UHFFFAOYSA-N -1 1 350.396 3.491 20 5 FGBDMM Cc1ccc(C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000515893447 503416863 /nfs/dbraw/zinc/41/68/63/503416863.db2.gz IRXNSHGTRGUWSH-HNNXBMFYSA-N -1 1 355.394 3.099 20 5 FGBDMM Cc1ccc([O-])c(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000544325381 504088559 /nfs/dbraw/zinc/08/85/59/504088559.db2.gz SMUZVDDIGPVLQR-UHFFFAOYSA-N -1 1 371.271 3.197 20 5 FGBDMM CCc1ccc(S(=O)(=O)[N-]c2ccccc2CCOC)cc1[N+](=O)[O-] ZINC000519605909 504270892 /nfs/dbraw/zinc/27/08/92/504270892.db2.gz JROHNWMLOHGDCT-UHFFFAOYSA-N -1 1 364.423 3.147 20 5 FGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000535655978 504497494 /nfs/dbraw/zinc/49/74/94/504497494.db2.gz VHHBUAYAOMBZAL-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1 ZINC000542714608 504585166 /nfs/dbraw/zinc/58/51/66/504585166.db2.gz LKKTUZXQTLJFTO-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM COC(=O)c1c[n-]c(SCc2cc([N+](=O)[O-])ccc2C(F)(F)F)n1 ZINC000549065232 504673463 /nfs/dbraw/zinc/67/34/63/504673463.db2.gz NUEVINZFHKPXQF-UHFFFAOYSA-N -1 1 361.301 3.416 20 5 FGBDMM O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000549750680 504888302 /nfs/dbraw/zinc/88/83/02/504888302.db2.gz NEAJXCDMKLOWKC-CQSZACIVSA-N -1 1 355.394 3.151 20 5 FGBDMM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000554672858 505237200 /nfs/dbraw/zinc/23/72/00/505237200.db2.gz JELGXAIMZQYOIS-UHFFFAOYSA-N -1 1 360.741 3.115 20 5 FGBDMM COc1cc(-c2nc3ccc(C)c(C)c3[nH]2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000551589858 505263319 /nfs/dbraw/zinc/26/33/19/505263319.db2.gz HFRMSRRITTYLJY-UHFFFAOYSA-N -1 1 371.349 3.227 20 5 FGBDMM C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743581 506757841 /nfs/dbraw/zinc/75/78/41/506757841.db2.gz KEOVFBHWXITHJM-SGTLLEGYSA-N -1 1 356.378 3.117 20 5 FGBDMM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743581 506757848 /nfs/dbraw/zinc/75/78/48/506757848.db2.gz KEOVFBHWXITHJM-SGTLLEGYSA-N -1 1 356.378 3.117 20 5 FGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCCC1 ZINC000610261248 507165229 /nfs/dbraw/zinc/16/52/29/507165229.db2.gz UTRIBMGYTUIVCK-INIZCTEOSA-N -1 1 361.423 3.200 20 5 FGBDMM Cc1ccc(-c2nc(C[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])co2)cc1 ZINC000610409302 507230111 /nfs/dbraw/zinc/23/01/11/507230111.db2.gz SLFBBVTWYDGMRO-UHFFFAOYSA-N -1 1 373.390 3.037 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)c1 ZINC000594696062 507242074 /nfs/dbraw/zinc/24/20/74/507242074.db2.gz DWCMBLIITXJOCH-UHFFFAOYSA-N -1 1 362.407 3.085 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1CCC(F)CC1 ZINC000592104980 507484864 /nfs/dbraw/zinc/48/48/64/507484864.db2.gz CJPCHERRBLMSQZ-UHFFFAOYSA-N -1 1 350.799 3.055 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](CC(=O)[O-])c1cccs1 ZINC000585731873 507608032 /nfs/dbraw/zinc/60/80/32/507608032.db2.gz YPKSBZTXUGFGHE-ZDUSSCGKSA-N -1 1 350.396 3.361 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NC(=O)[O-] ZINC000739543721 602653061 /nfs/dbraw/zinc/65/30/61/602653061.db2.gz YTNYLBGYESPTKQ-UHFFFAOYSA-N -1 1 365.367 3.048 20 5 FGBDMM COc1ccccc1[C@@H](C)Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821882834 606714027 /nfs/dbraw/zinc/71/40/27/606714027.db2.gz LSYPYNKMELTVIX-SECBINFHSA-N -1 1 358.383 3.032 20 5 FGBDMM COc1ccccc1[C@@H](C)Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821882834 606714028 /nfs/dbraw/zinc/71/40/28/606714028.db2.gz LSYPYNKMELTVIX-SECBINFHSA-N -1 1 358.383 3.032 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CCC(c2ccccc2)CC1 ZINC000823620626 607167744 /nfs/dbraw/zinc/16/77/44/607167744.db2.gz NIBRYUZMKKZIPX-UHFFFAOYSA-N -1 1 365.397 3.308 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CCC(c2ccccc2)CC1 ZINC000823620626 607167746 /nfs/dbraw/zinc/16/77/46/607167746.db2.gz NIBRYUZMKKZIPX-UHFFFAOYSA-N -1 1 365.397 3.308 20 5 FGBDMM Cc1ccccc1[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826306879 607840453 /nfs/dbraw/zinc/84/04/53/607840453.db2.gz ONJDDVDGXKQIKV-MRXNPFEDSA-N -1 1 350.382 3.425 20 5 FGBDMM Cc1ccccc1[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826306879 607840454 /nfs/dbraw/zinc/84/04/54/607840454.db2.gz ONJDDVDGXKQIKV-MRXNPFEDSA-N -1 1 350.382 3.425 20 5 FGBDMM O=[N+]([O-])c1c(Oc2cccc(F)c2-c2nnn[n-]2)ccc2ncccc21 ZINC000826497629 608147638 /nfs/dbraw/zinc/14/76/38/608147638.db2.gz NVSHWMAOGVJMBG-UHFFFAOYSA-N -1 1 352.285 3.255 20 5 FGBDMM O=[N+]([O-])c1c(Oc2cccc(F)c2-c2nn[n-]n2)ccc2ncccc21 ZINC000826497629 608147640 /nfs/dbraw/zinc/14/76/40/608147640.db2.gz NVSHWMAOGVJMBG-UHFFFAOYSA-N -1 1 352.285 3.255 20 5 FGBDMM C[C@H](Nc1cc(-c2nnn[n-]2)nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000824649452 608416214 /nfs/dbraw/zinc/41/62/14/608416214.db2.gz MERYZMBWSXBAEV-NSHDSACASA-N -1 1 361.365 3.496 20 5 FGBDMM C[C@H](Nc1cc(-c2nn[n-]n2)nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000824649452 608416215 /nfs/dbraw/zinc/41/62/15/608416215.db2.gz MERYZMBWSXBAEV-NSHDSACASA-N -1 1 361.365 3.496 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(-c2ccccc2)nc1 ZINC000826497468 608797558 /nfs/dbraw/zinc/79/75/58/608797558.db2.gz IJKBACVSNJEDEX-UHFFFAOYSA-N -1 1 361.321 3.024 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(-c2ccccc2)nc1 ZINC000826497468 608797560 /nfs/dbraw/zinc/79/75/60/608797560.db2.gz IJKBACVSNJEDEX-UHFFFAOYSA-N -1 1 361.321 3.024 20 5 FGBDMM CC(=O)c1c(C)cccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000129290740 700786258 /nfs/dbraw/zinc/78/62/58/700786258.db2.gz CDKOXGODFKWFKP-UHFFFAOYSA-N -1 1 362.407 3.090 20 5 FGBDMM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000176896195 705596141 /nfs/dbraw/zinc/59/61/41/705596141.db2.gz RXLGYHFQAHELBU-MNOVXSKESA-N -1 1 362.448 3.077 20 5 FGBDMM CS[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000784378915 724848264 /nfs/dbraw/zinc/84/82/64/724848264.db2.gz YMYMORCGTARQFJ-LBPRGKRZSA-N -1 1 366.892 3.304 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1 ZINC000725826632 722423938 /nfs/dbraw/zinc/42/39/38/722423938.db2.gz HINQOHGBCIFTKM-OLZOCXBDSA-N -1 1 352.799 3.083 20 5 FGBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC2 ZINC000730267704 722466577 /nfs/dbraw/zinc/46/65/77/722466577.db2.gz AARBFVMTWWTTDP-CQSZACIVSA-N -1 1 350.371 3.008 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1 ZINC000731780815 722478047 /nfs/dbraw/zinc/47/80/47/722478047.db2.gz GJEISQNIBLCKDR-UHFFFAOYSA-N -1 1 361.423 3.304 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C/C=C\c1ccccc1 ZINC000732985285 722491124 /nfs/dbraw/zinc/49/11/24/722491124.db2.gz OEMDIESEEUQTBR-DAXSKMNVSA-N -1 1 352.799 3.240 20 5 FGBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000735317424 722515227 /nfs/dbraw/zinc/51/52/27/722515227.db2.gz SMWABFSSIAAGKR-UHFFFAOYSA-N -1 1 366.414 3.281 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1c(F)cccc1Cl ZINC000746177360 722594109 /nfs/dbraw/zinc/59/41/09/722594109.db2.gz CRRHCZUSNUWJJF-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000761907886 723194580 /nfs/dbraw/zinc/19/45/80/723194580.db2.gz PKGHVQBEQDYCDK-UHFFFAOYSA-N -1 1 372.834 3.378 20 5 FGBDMM O=C([N-]c1cc(Br)cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])o1 ZINC000791271628 723224627 /nfs/dbraw/zinc/22/46/27/723224627.db2.gz XNQJAPGFHRUBTO-UHFFFAOYSA-N -1 1 356.088 3.111 20 5 FGBDMM C[C@H](C(=O)Nc1nc(Br)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000762898812 723289590 /nfs/dbraw/zinc/28/95/90/723289590.db2.gz OZGZZIVIIHAYGU-QMMMGPOBSA-N -1 1 366.171 3.200 20 5 FGBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000768797811 723667611 /nfs/dbraw/zinc/66/76/11/723667611.db2.gz NHDWWZAJZBCQAE-CQSZACIVSA-N -1 1 358.416 3.471 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(N(C)C)c1C ZINC000776092008 724109040 /nfs/dbraw/zinc/10/90/40/724109040.db2.gz UAZFDKOUYYNDMA-UHFFFAOYSA-N -1 1 363.439 3.387 20 5 FGBDMM Cc1nc(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000776868893 724190870 /nfs/dbraw/zinc/19/08/70/724190870.db2.gz ULJJRVUPPWYSEA-UHFFFAOYSA-N -1 1 368.802 3.091 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c(Cl)n1 ZINC000800933648 724250459 /nfs/dbraw/zinc/25/04/59/724250459.db2.gz QRTWLMUPEIWELH-UHFFFAOYSA-N -1 1 359.766 3.200 20 5 FGBDMM CC(C)CCc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC000786899389 725006557 /nfs/dbraw/zinc/00/65/57/725006557.db2.gz YSKXYRHLFBQFRE-UHFFFAOYSA-N -1 1 372.834 3.361 20 5 FGBDMM Cc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000805143212 725052857 /nfs/dbraw/zinc/05/28/57/725052857.db2.gz GEECNYAMRSNSNT-NSHDSACASA-N -1 1 354.762 3.023 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000808077254 725182364 /nfs/dbraw/zinc/18/23/64/725182364.db2.gz AKTOVCDXWFSIMC-MJVIPROJSA-N -1 1 359.348 3.185 20 5 FGBDMM COc1cccc(OC)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811832187 725382130 /nfs/dbraw/zinc/38/21/30/725382130.db2.gz MLDGWHRUKCEDEO-UHFFFAOYSA-N -1 1 372.786 3.066 20 5 FGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c1Cl ZINC000811832830 725382190 /nfs/dbraw/zinc/38/21/90/725382190.db2.gz ZPFVPBZCGAQCKW-UHFFFAOYSA-N -1 1 362.741 3.468 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000815015756 727019926 /nfs/dbraw/zinc/01/99/26/727019926.db2.gz PSKIJASIGIMTJL-QMMMGPOBSA-N -1 1 374.777 3.132 20 5 FGBDMM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815033835 727023766 /nfs/dbraw/zinc/02/37/66/727023766.db2.gz VAGRTHCWBAYFMB-QMMMGPOBSA-N -1 1 350.799 3.244 20 5 FGBDMM CC(C)C1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000815071070 727031528 /nfs/dbraw/zinc/03/15/28/727031528.db2.gz DHXZGIJIWLAJGT-UHFFFAOYSA-N -1 1 353.227 3.369 20 5 FGBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1[N+](=O)[O-] ZINC000821111407 729058759 /nfs/dbraw/zinc/05/87/59/729058759.db2.gz KGCMQTARYQPCFF-UHFFFAOYSA-N -1 1 360.750 3.202 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CCC1 ZINC000827946762 729437654 /nfs/dbraw/zinc/43/76/54/729437654.db2.gz AOYXWYZDQTUQCR-UHFFFAOYSA-N -1 1 368.361 3.231 20 5 FGBDMM Cc1cnc([C@H](C)[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)s1 ZINC000848586805 731185981 /nfs/dbraw/zinc/18/59/81/731185981.db2.gz CXMISTSKLUTCBY-VIFPVBQESA-N -1 1 357.338 3.209 20 5 FGBDMM CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000918192778 758315178 /nfs/dbraw/zinc/31/51/78/758315178.db2.gz XFQCEEOMHWMFSZ-CQSZACIVSA-N -1 1 366.414 3.452 20 5 FGBDMM C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)[C@@H]1C(=O)[O-] ZINC000923249227 759089991 /nfs/dbraw/zinc/08/99/91/759089991.db2.gz NMLXDRQZOSRZAQ-RNCFNFMXSA-N -1 1 357.204 3.042 20 5 FGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000007373223 494018596 /nfs/dbraw/zinc/01/85/96/494018596.db2.gz KMGQZVQEGWTFQK-UHFFFAOYSA-N -1 1 370.770 3.086 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCC2)s1 ZINC000063347093 494048369 /nfs/dbraw/zinc/04/83/69/494048369.db2.gz HRARFJZNZBEIKH-UHFFFAOYSA-N -1 1 356.400 3.153 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2ccnc2)cc1 ZINC000067429289 494539911 /nfs/dbraw/zinc/53/99/11/494539911.db2.gz NFFNYYGEWWPQEG-UHFFFAOYSA-N -1 1 372.406 3.144 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCC(F)F ZINC000075059874 494680265 /nfs/dbraw/zinc/68/02/65/494680265.db2.gz ZMOZUMBPSFRLAZ-UHFFFAOYSA-N -1 1 357.338 3.073 20 5 FGBDMM COCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000026547457 494831478 /nfs/dbraw/zinc/83/14/78/494831478.db2.gz MKIQBLIGBGVVKN-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000146516897 495566911 /nfs/dbraw/zinc/56/69/11/495566911.db2.gz SOLZLCXOHXBMOQ-LLVKDONJSA-N -1 1 354.815 3.330 20 5 FGBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000165163418 496650849 /nfs/dbraw/zinc/65/08/49/496650849.db2.gz RKUVBMDKUYTUAE-GFCCVEGCSA-N -1 1 362.407 3.336 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccccc1 ZINC000188140309 496698354 /nfs/dbraw/zinc/69/83/54/496698354.db2.gz CFEPCBRGNFTUBN-UHFFFAOYSA-N -1 1 353.334 3.131 20 5 FGBDMM Cc1nc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc2o1 ZINC000191787065 496888387 /nfs/dbraw/zinc/88/83/87/496888387.db2.gz AYNYSPRROSAYFO-UHFFFAOYSA-N -1 1 361.379 3.462 20 5 FGBDMM CCOc1cccc2cc([C@H](C)NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)oc21 ZINC000193360973 497361158 /nfs/dbraw/zinc/36/11/58/497361158.db2.gz IDDOLVFZDQCIRD-JTQLQIEISA-N -1 1 371.349 3.331 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000193485262 497393323 /nfs/dbraw/zinc/39/33/23/497393323.db2.gz DXAFIDDKNWSCRJ-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[nH]c2c1 ZINC000194531922 497697050 /nfs/dbraw/zinc/69/70/50/497697050.db2.gz HWFGGTJKGFENFL-MRXNPFEDSA-N -1 1 366.377 3.462 20 5 FGBDMM C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263109554 497707579 /nfs/dbraw/zinc/70/75/79/497707579.db2.gz YKQCPEJHSGTHQP-IAQYHMDHSA-N -1 1 361.423 3.403 20 5 FGBDMM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000277226946 497781883 /nfs/dbraw/zinc/78/18/83/497781883.db2.gz IFZAZTDYAXQQLS-OAHLLOKOSA-N -1 1 374.393 3.226 20 5 FGBDMM COc1ccc([C@H](CC(=O)[O-])NCc2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000277226937 497782474 /nfs/dbraw/zinc/78/24/74/497782474.db2.gz IFZAZTDYAXQQLS-HNNXBMFYSA-N -1 1 374.393 3.226 20 5 FGBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282397646 498494578 /nfs/dbraw/zinc/49/45/78/498494578.db2.gz FCILYHJEFFDWBL-UHFFFAOYSA-N -1 1 372.425 3.011 20 5 FGBDMM O=C([O-])[C@@H](CCN1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000570106632 506091709 /nfs/dbraw/zinc/09/17/09/506091709.db2.gz FURZMJFJIWIBJG-KRWDZBQOSA-N -1 1 356.378 3.048 20 5 FGBDMM Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)[O-] ZINC000324958401 498832528 /nfs/dbraw/zinc/83/25/28/498832528.db2.gz WGEHZTWDLJHPDV-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1[N+](=O)[O-] ZINC000392189725 499558316 /nfs/dbraw/zinc/55/83/16/499558316.db2.gz WJSSPTFIUFECIU-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1C ZINC000431614562 500398109 /nfs/dbraw/zinc/39/81/09/500398109.db2.gz PMBIAIGQIMLGRJ-AWEZNQCLSA-N -1 1 370.377 3.496 20 5 FGBDMM C[C@@H]1C[C@H]1[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000445011100 500932605 /nfs/dbraw/zinc/93/26/05/500932605.db2.gz WJFYKEZWMSVZGL-PKPZWWHKSA-N -1 1 361.785 3.476 20 5 FGBDMM CCCCc1ccc(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000445323650 500973331 /nfs/dbraw/zinc/97/33/31/500973331.db2.gz TTXRDEVPZZVWFC-UHFFFAOYSA-N -1 1 369.381 3.497 20 5 FGBDMM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000456184886 501471033 /nfs/dbraw/zinc/47/10/33/501471033.db2.gz KCQYBSSDHDMGLW-UHFFFAOYSA-N -1 1 361.427 3.120 20 5 FGBDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc(C)c([N+](=O)[O-])cc1C)OCO2 ZINC000481840974 501897159 /nfs/dbraw/zinc/89/71/59/501897159.db2.gz MJAQHOQVSVZVRU-UHFFFAOYSA-N -1 1 364.379 3.050 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000469050220 502278260 /nfs/dbraw/zinc/27/82/60/502278260.db2.gz RQJBKXHVXADSGI-UHFFFAOYSA-N -1 1 352.416 3.016 20 5 FGBDMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000477124871 502685475 /nfs/dbraw/zinc/68/54/75/502685475.db2.gz LMEVMGGDABVGHT-UHFFFAOYSA-N -1 1 353.363 3.202 20 5 FGBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Oc1ccc(C)nn1 ZINC000498805177 503267248 /nfs/dbraw/zinc/26/72/48/503267248.db2.gz NCBJJVXLDJIMNB-UHFFFAOYSA-N -1 1 369.337 3.075 20 5 FGBDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)OCO2 ZINC000491832029 503332265 /nfs/dbraw/zinc/33/22/65/503332265.db2.gz NEEJKJOKIUJNRN-UHFFFAOYSA-N -1 1 364.379 3.050 20 5 FGBDMM O=C(Nc1ccc(F)cc1[O-])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000534708446 504220078 /nfs/dbraw/zinc/22/00/78/504220078.db2.gz FYWZBDRBPYIDNF-UHFFFAOYSA-N -1 1 359.357 3.295 20 5 FGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCCc2sc(Cl)cc21 ZINC000565692915 504959894 /nfs/dbraw/zinc/95/98/94/504959894.db2.gz OYJMUTSURZTNEN-SECBINFHSA-N -1 1 373.843 3.061 20 5 FGBDMM C[C@]1(c2ccccc2)CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000557434387 505134097 /nfs/dbraw/zinc/13/40/97/505134097.db2.gz HPPLXGGSZYNCPN-IBGZPJMESA-N -1 1 355.394 3.279 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000589558958 506587273 /nfs/dbraw/zinc/58/72/73/506587273.db2.gz PFVKCYOLRWWDQR-UHFFFAOYSA-N -1 1 350.396 3.275 20 5 FGBDMM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612550689 506620805 /nfs/dbraw/zinc/62/08/05/506620805.db2.gz ASSWDIZJUWPJLJ-HNNXBMFYSA-N -1 1 369.421 3.037 20 5 FGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000597779303 507097759 /nfs/dbraw/zinc/09/77/59/507097759.db2.gz LBBUUDPEJUKTEF-HOTGVXAUSA-N -1 1 355.394 3.494 20 5 FGBDMM CCCc1cc(=O)[n-]c(SCCOc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC000610218929 507144740 /nfs/dbraw/zinc/14/47/40/507144740.db2.gz CEDDLYITCKUCNP-UHFFFAOYSA-N -1 1 365.411 3.223 20 5 FGBDMM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000610882403 507429535 /nfs/dbraw/zinc/42/95/35/507429535.db2.gz YKHNXNPUPLDIEU-HNNXBMFYSA-N -1 1 369.421 3.037 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)c(C)c1[N+](=O)[O-] ZINC000598718338 507566606 /nfs/dbraw/zinc/56/66/06/507566606.db2.gz UTDWAROFDROICL-UHFFFAOYSA-N -1 1 362.407 3.085 20 5 FGBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1[O-] ZINC000588098304 507761661 /nfs/dbraw/zinc/76/16/61/507761661.db2.gz MTVORJCKUWPLPM-UHFFFAOYSA-N -1 1 368.704 3.132 20 5 FGBDMM O=[N+]([O-])c1ccc(CCCCNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000738359745 598854572 /nfs/dbraw/zinc/85/45/72/598854572.db2.gz NAKLOUGTCRHVEX-UHFFFAOYSA-N -1 1 373.804 3.258 20 5 FGBDMM O=[N+]([O-])c1ccc(CCCCNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000738359745 598854574 /nfs/dbraw/zinc/85/45/74/598854574.db2.gz NAKLOUGTCRHVEX-UHFFFAOYSA-N -1 1 373.804 3.258 20 5 FGBDMM O=[N+]([O-])c1c(NCC2CCC2)cc(NCC2CCC2)cc1-c1nnn[n-]1 ZINC000738357894 599273669 /nfs/dbraw/zinc/27/36/69/599273669.db2.gz IOJAWOGECXQKSQ-UHFFFAOYSA-N -1 1 357.418 3.199 20 5 FGBDMM O=[N+]([O-])c1c(NCC2CCC2)cc(NCC2CCC2)cc1-c1nn[n-]n1 ZINC000738357894 599273671 /nfs/dbraw/zinc/27/36/71/599273671.db2.gz IOJAWOGECXQKSQ-UHFFFAOYSA-N -1 1 357.418 3.199 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1CN[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738068449 600426910 /nfs/dbraw/zinc/42/69/10/600426910.db2.gz MAELEAKZFGVZTE-HNNXBMFYSA-N -1 1 350.758 3.172 20 5 FGBDMM O=[N+]([O-])c1ccc(N2CCC(Cc3ccccc3)CC2)cc1-c1nnn[n-]1 ZINC000826498545 607449125 /nfs/dbraw/zinc/44/91/25/607449125.db2.gz ZZFTYEJCWDAAEM-UHFFFAOYSA-N -1 1 364.409 3.234 20 5 FGBDMM O=[N+]([O-])c1ccc(N2CCC(Cc3ccccc3)CC2)cc1-c1nn[n-]n1 ZINC000826498545 607449127 /nfs/dbraw/zinc/44/91/27/607449127.db2.gz ZZFTYEJCWDAAEM-UHFFFAOYSA-N -1 1 364.409 3.234 20 5 FGBDMM CCC(C)(C)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000825043109 607733997 /nfs/dbraw/zinc/73/39/97/607733997.db2.gz FBBMDVMDALMZKL-UHFFFAOYSA-N -1 1 367.413 3.470 20 5 FGBDMM CCC(C)(C)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000825043109 607733998 /nfs/dbraw/zinc/73/39/98/607733998.db2.gz FBBMDVMDALMZKL-UHFFFAOYSA-N -1 1 367.413 3.470 20 5 FGBDMM O=[N+]([O-])c1cc(N2CCC(c3ccccc3)CC2)ccc1-c1nn[n-]n1 ZINC000823634457 606645099 /nfs/dbraw/zinc/64/50/99/606645099.db2.gz GBVNKTAIOONJFE-UHFFFAOYSA-N -1 1 350.382 3.159 20 5 FGBDMM Cc1c2ccccc2oc1[C@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822020398 606699813 /nfs/dbraw/zinc/69/98/13/606699813.db2.gz BYYFLOYJPCZCGD-JTQLQIEISA-N -1 1 365.353 3.398 20 5 FGBDMM Cc1c2ccccc2oc1[C@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822020398 606699815 /nfs/dbraw/zinc/69/98/15/606699815.db2.gz BYYFLOYJPCZCGD-JTQLQIEISA-N -1 1 365.353 3.398 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000101570629 700468364 /nfs/dbraw/zinc/46/83/64/700468364.db2.gz UXAJSAGZMOMRDD-LLVKDONJSA-N -1 1 356.787 3.197 20 5 FGBDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000132605826 700829354 /nfs/dbraw/zinc/82/93/54/700829354.db2.gz MFXYHLCLGDCVTP-UHFFFAOYSA-N -1 1 352.343 3.127 20 5 FGBDMM C[C@@](CC(=O)[O-])(C(=O)Nc1ccc([N+](=O)[O-])cc1O)C1CCCCC1 ZINC000522621408 714196547 /nfs/dbraw/zinc/19/65/47/714196547.db2.gz YKROZMGSFIRXOO-KRWDZBQOSA-N -1 1 350.371 3.300 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000525702367 714369966 /nfs/dbraw/zinc/36/99/66/714369966.db2.gz IGQMCZYEPBTHHT-HNNXBMFYSA-N -1 1 363.439 3.025 20 5 FGBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000619466265 714839307 /nfs/dbraw/zinc/83/93/07/714839307.db2.gz FOTYCHLRSLSOJX-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM CCN1CCc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)cc21 ZINC000728017237 722449495 /nfs/dbraw/zinc/44/94/95/722449495.db2.gz LEISNDBAHXDFQM-UHFFFAOYSA-N -1 1 361.423 3.086 20 5 FGBDMM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000732818646 722489113 /nfs/dbraw/zinc/48/91/13/722489113.db2.gz WVOKURYJYQPOTC-SNVBAGLBSA-N -1 1 372.834 3.065 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nc2ccccc2s1 ZINC000734154770 722504734 /nfs/dbraw/zinc/50/47/34/722504734.db2.gz QPVWZJHQHLQFNM-MRVPVSSYSA-N -1 1 369.449 3.306 20 5 FGBDMM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000738403255 722530314 /nfs/dbraw/zinc/53/03/14/722530314.db2.gz HPWZTKMRRDLSMP-LBPRGKRZSA-N -1 1 352.387 3.124 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(Cc2ccccc2)CCC1 ZINC000760654827 723076267 /nfs/dbraw/zinc/07/62/67/723076267.db2.gz HKLSXQUTDIHCKK-UHFFFAOYSA-N -1 1 364.398 3.178 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(F)F)c1 ZINC000790616416 723159361 /nfs/dbraw/zinc/15/93/61/723159361.db2.gz MSESDZSEWJPUNU-UHFFFAOYSA-N -1 1 372.305 3.031 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc2[nH]ncc21 ZINC000766328190 723568640 /nfs/dbraw/zinc/56/86/40/723568640.db2.gz BRNROOLGUITEJZ-UHFFFAOYSA-N -1 1 364.358 3.028 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)c1C ZINC000776091475 724109184 /nfs/dbraw/zinc/10/91/84/724109184.db2.gz MLBGIIQRBFSTCO-UHFFFAOYSA-N -1 1 363.439 3.387 20 5 FGBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])cc1 ZINC000814975265 727015254 /nfs/dbraw/zinc/01/52/54/727015254.db2.gz ZVWQSSUHHLJKOR-UHFFFAOYSA-N -1 1 358.778 3.174 20 5 FGBDMM C[C@@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000818329975 727307527 /nfs/dbraw/zinc/30/75/27/727307527.db2.gz JTLKQGCZGAYACE-NOZJJQNGSA-N -1 1 357.204 3.042 20 5 FGBDMM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000828381837 729442931 /nfs/dbraw/zinc/44/29/31/729442931.db2.gz QCVHPIFYIYQYDU-SVRRBLITSA-N -1 1 371.267 3.074 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCC1CC(F)(F)C1 ZINC000841528128 730253682 /nfs/dbraw/zinc/25/36/82/730253682.db2.gz QBULXEIJGAPPCM-UHFFFAOYSA-N -1 1 372.752 3.101 20 5 FGBDMM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903707529 743878288 /nfs/dbraw/zinc/87/82/88/743878288.db2.gz YUKPCRJOOCVUKY-VWYCJHECSA-N -1 1 371.231 3.431 20 5 FGBDMM CCCOc1cc([N-]C(=O)c2cnsn2)c([N+](=O)[O-])cc1OCCC ZINC000918558397 758341756 /nfs/dbraw/zinc/34/17/56/758341756.db2.gz OJTWTQSORVIUML-UHFFFAOYSA-N -1 1 366.399 3.276 20 5 FGBDMM O=[N+]([O-])c1cnc(Sc2nnc([N-]c3ccccc3F)s2)nc1 ZINC000302142123 257385399 /nfs/dbraw/zinc/38/53/99/257385399.db2.gz FLMKBQXHBRZTAT-UHFFFAOYSA-N -1 1 350.360 3.270 20 5 FGBDMM COc1cccc(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)c1[N+](=O)[O-] ZINC000570783265 505579569 /nfs/dbraw/zinc/57/95/69/505579569.db2.gz DFDQUGMDPHGIPW-UHFFFAOYSA-N -1 1 373.756 3.294 20 5 FGBDMM O=C(c1cc2ccccc2c2cccnc12)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000576890489 505617752 /nfs/dbraw/zinc/61/77/52/505617752.db2.gz YRLKBFLRNZVODU-UHFFFAOYSA-N -1 1 374.400 3.496 20 5 FGBDMM C[C@H](OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000066327478 494311798 /nfs/dbraw/zinc/31/17/98/494311798.db2.gz DACWTYXJIMELQH-LBPRGKRZSA-N -1 1 370.452 3.103 20 5 FGBDMM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000024101224 494606373 /nfs/dbraw/zinc/60/63/73/494606373.db2.gz YZYAJEJUBCMQAK-UHFFFAOYSA-N -1 1 372.786 3.072 20 5 FGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccsc3)s2)c1 ZINC000067753076 494633743 /nfs/dbraw/zinc/63/37/43/494633743.db2.gz FKKIKTKVHNDUKE-UHFFFAOYSA-N -1 1 362.392 3.436 20 5 FGBDMM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nc(C(C)(C)C)ns2)cc1[N+](=O)[O-] ZINC000068073867 494751769 /nfs/dbraw/zinc/75/17/69/494751769.db2.gz QDRSOFXLKLSHGG-UHFFFAOYSA-N -1 1 365.371 3.213 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c([N+](=O)[O-])c1 ZINC000126821270 494843809 /nfs/dbraw/zinc/84/38/09/494843809.db2.gz RVWWSQKDEQUTNS-UHFFFAOYSA-N -1 1 350.400 3.085 20 5 FGBDMM CCN(C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000093770818 494919799 /nfs/dbraw/zinc/91/97/99/494919799.db2.gz OKVNOLDRKCAADF-GFCCVEGCSA-N -1 1 361.364 3.007 20 5 FGBDMM Cc1nn(C)c(C(=O)[N-]c2cc(F)ccc2SCC(F)F)c1[N+](=O)[O-] ZINC000122639814 495008703 /nfs/dbraw/zinc/00/87/03/495008703.db2.gz PCGUORGCNCIHFF-UHFFFAOYSA-N -1 1 374.344 3.385 20 5 FGBDMM CCOCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000102320569 495129190 /nfs/dbraw/zinc/12/91/90/495129190.db2.gz RQNRGFAQCSPOIE-UHFFFAOYSA-N -1 1 350.396 3.241 20 5 FGBDMM C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130511548 495403773 /nfs/dbraw/zinc/40/37/73/495403773.db2.gz JZRDGGUEXHJKDT-HNNXBMFYSA-N -1 1 369.421 3.037 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000182542595 495607438 /nfs/dbraw/zinc/60/74/38/495607438.db2.gz NWEWUDFJHDYOPD-UHFFFAOYSA-N -1 1 372.349 3.348 20 5 FGBDMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000171013942 495690280 /nfs/dbraw/zinc/69/02/80/495690280.db2.gz LCQFKYGWGNRNII-LBPRGKRZSA-N -1 1 350.396 3.411 20 5 FGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)[nH]n1 ZINC000159870142 495829193 /nfs/dbraw/zinc/82/91/93/495829193.db2.gz UAADJEAXHUTDNS-JTQLQIEISA-N -1 1 368.415 3.031 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c(C)c1F ZINC000181115184 496275290 /nfs/dbraw/zinc/27/52/90/496275290.db2.gz MIMCKDTYIQYWBD-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000187155262 496316429 /nfs/dbraw/zinc/31/64/29/496316429.db2.gz MHEPDXKLTZQJRY-SMDDNHRTSA-N -1 1 359.382 3.464 20 5 FGBDMM COc1cc(C(=O)[N-]c2c(F)cc(F)cc2F)c([N+](=O)[O-])cc1OC ZINC000175301574 496329674 /nfs/dbraw/zinc/32/96/74/496329674.db2.gz HXWFKSGKZPJCRE-UHFFFAOYSA-N -1 1 356.256 3.282 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1cccs1 ZINC000187544944 496485129 /nfs/dbraw/zinc/48/51/29/496485129.db2.gz QPORRMAPYLYFSE-UHFFFAOYSA-N -1 1 359.363 3.193 20 5 FGBDMM CC(C)(C)OC(=O)N1CCC[C@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)C1 ZINC000273994762 496985410 /nfs/dbraw/zinc/98/54/10/496985410.db2.gz YZGPVCDSVWMHBT-JTQLQIEISA-N -1 1 363.374 3.087 20 5 FGBDMM COc1cccc(C=C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000278189760 497032164 /nfs/dbraw/zinc/03/21/64/497032164.db2.gz OPTXWGMLHZINLK-UHFFFAOYSA-N -1 1 369.377 3.024 20 5 FGBDMM O=C(Nc1c([O-])cc(Br)cc1Cl)c1cc([N+](=O)[O-])c[nH]1 ZINC000572155303 505902542 /nfs/dbraw/zinc/90/25/42/505902542.db2.gz IFPAADOQPXLPAD-UHFFFAOYSA-N -1 1 360.551 3.297 20 5 FGBDMM CSCCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000194626858 497722524 /nfs/dbraw/zinc/72/25/24/497722524.db2.gz LARIADNYCDGAFF-UHFFFAOYSA-N -1 1 352.437 3.301 20 5 FGBDMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc21 ZINC000191227392 497749330 /nfs/dbraw/zinc/74/93/30/497749330.db2.gz LSQHCCMSRXQOPU-UHFFFAOYSA-N -1 1 366.782 3.178 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CCOC)cc1 ZINC000569866152 506034577 /nfs/dbraw/zinc/03/45/77/506034577.db2.gz FVFULNVFOUYUGA-UHFFFAOYSA-N -1 1 364.423 3.147 20 5 FGBDMM O=C([O-])c1cc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000311164716 498750673 /nfs/dbraw/zinc/75/06/73/498750673.db2.gz PUQNEZRMCVEFJP-INIZCTEOSA-N -1 1 355.394 3.370 20 5 FGBDMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372478908 499132812 /nfs/dbraw/zinc/13/28/12/499132812.db2.gz XVRKOXOMGVGMQW-CQSZACIVSA-N -1 1 366.377 3.127 20 5 FGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000432781954 500562641 /nfs/dbraw/zinc/56/26/41/500562641.db2.gz URKFSPMKIQIAOW-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM O=C(Nc1cccc(CN2CCSCC2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436928765 500572455 /nfs/dbraw/zinc/57/24/55/500572455.db2.gz WZDLDRLQNKRCNC-UHFFFAOYSA-N -1 1 373.434 3.102 20 5 FGBDMM Cc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000485383901 501804617 /nfs/dbraw/zinc/80/46/17/501804617.db2.gz FSSSAJMHNZIZEH-UHFFFAOYSA-N -1 1 350.334 3.110 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)c1C ZINC000479118950 502168727 /nfs/dbraw/zinc/16/87/27/502168727.db2.gz GQSXYHRTIOUOHN-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484233924 502603845 /nfs/dbraw/zinc/60/38/45/502603845.db2.gz KCXMPRBDHXPGIV-QGZVFWFLSA-N -1 1 363.373 3.409 20 5 FGBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000484965515 502788976 /nfs/dbraw/zinc/78/89/76/502788976.db2.gz YLQALZMCMGGSDQ-UHFFFAOYSA-N -1 1 366.708 3.457 20 5 FGBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505731456 502974877 /nfs/dbraw/zinc/97/48/77/502974877.db2.gz MYRFQCUVBPZQQP-CYBMUJFWSA-N -1 1 372.377 3.294 20 5 FGBDMM COc1ccc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)cc1[N+](=O)[O-] ZINC000611891479 506352871 /nfs/dbraw/zinc/35/28/71/506352871.db2.gz WPTJGETVRJNIQH-UHFFFAOYSA-N -1 1 358.285 3.045 20 5 FGBDMM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000515708844 503388373 /nfs/dbraw/zinc/38/83/73/503388373.db2.gz CYGXKFSKVJWUKI-SKDRFNHKSA-N -1 1 370.814 3.443 20 5 FGBDMM O=C(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000517683532 503806834 /nfs/dbraw/zinc/80/68/34/503806834.db2.gz MTLNCCOOIASRRO-UHFFFAOYSA-N -1 1 369.337 3.015 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1 ZINC000543658583 503843875 /nfs/dbraw/zinc/84/38/75/503843875.db2.gz RJLIEOCWHATAKZ-UHFFFAOYSA-N -1 1 362.407 3.337 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000518440886 503985991 /nfs/dbraw/zinc/98/59/91/503985991.db2.gz UUICSDTXZXDNQN-OLZOCXBDSA-N -1 1 352.437 3.271 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(F)cc3F)CCC2)s1 ZINC000534242881 504081537 /nfs/dbraw/zinc/08/15/37/504081537.db2.gz FMGZWRVIDWXMBD-UHFFFAOYSA-N -1 1 374.390 3.292 20 5 FGBDMM O=C(Nc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1)C1CCC1 ZINC000544944145 504307987 /nfs/dbraw/zinc/30/79/87/504307987.db2.gz PURFVLMRRXLIAY-UHFFFAOYSA-N -1 1 353.338 3.379 20 5 FGBDMM Cc1ccc(Cl)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c1 ZINC000548198741 504366383 /nfs/dbraw/zinc/36/63/83/504366383.db2.gz XXMPDHSRIMGPGT-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000521061453 504641452 /nfs/dbraw/zinc/64/14/52/504641452.db2.gz ZWWVKUUQULXUDY-LJQANCHMSA-N -1 1 356.378 3.313 20 5 FGBDMM CC(C)[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000565141036 504806462 /nfs/dbraw/zinc/80/64/62/504806462.db2.gz BMBNBNDNZXJDFB-CQSZACIVSA-N -1 1 355.354 3.100 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)c1ccccc1 ZINC000609075926 506771804 /nfs/dbraw/zinc/77/18/04/506771804.db2.gz CNTMZYPHLSTUAR-NSHDSACASA-N -1 1 354.453 3.301 20 5 FGBDMM Cc1ccc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 ZINC000604399038 506820667 /nfs/dbraw/zinc/82/06/67/506820667.db2.gz MSDKJILUKQSLJJ-UHFFFAOYSA-N -1 1 354.453 3.184 20 5 FGBDMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609504413 506902174 /nfs/dbraw/zinc/90/21/74/506902174.db2.gz PYWUWQMDEHWEBB-UHFFFAOYSA-N -1 1 357.757 3.140 20 5 FGBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1csc(=NC2CC2)[n-]1 ZINC000600839123 507143179 /nfs/dbraw/zinc/14/31/79/507143179.db2.gz HTHADMXDTXVUIF-UHFFFAOYSA-N -1 1 360.439 3.098 20 5 FGBDMM COc1cc(C(=O)[N-]c2nnc(CCC(C)C)s2)c([N+](=O)[O-])cc1F ZINC000597873568 507147673 /nfs/dbraw/zinc/14/76/73/507147673.db2.gz VNBOFHAFIRHEPT-UHFFFAOYSA-N -1 1 368.390 3.435 20 5 FGBDMM COc1ccc(-c2ccc(CN(CC(=O)[O-])C3CCC3)o2)c([N+](=O)[O-])c1 ZINC000594539546 507176096 /nfs/dbraw/zinc/17/60/96/507176096.db2.gz CBOVGDPFKXTYCA-UHFFFAOYSA-N -1 1 360.366 3.303 20 5 FGBDMM CCc1nc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)[n-]c(=O)c1C ZINC000584666385 507438884 /nfs/dbraw/zinc/43/88/84/507438884.db2.gz TWJWSQKKULXXBO-UHFFFAOYSA-N -1 1 373.394 3.304 20 5 FGBDMM O=[N+]([O-])c1cc(-c2ccccc2)ccc1Oc1nccnc1-c1nn[n-]n1 ZINC000738357108 598349359 /nfs/dbraw/zinc/34/93/59/598349359.db2.gz BQZRFUHMOBMOSL-UHFFFAOYSA-N -1 1 361.321 3.024 20 5 FGBDMM Cc1cc(NCc2nc(-c3ccc(F)cc3)n[nH]2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832898939 601545881 /nfs/dbraw/zinc/54/58/81/601545881.db2.gz ZZGGTCSCXBMJQN-UHFFFAOYSA-N -1 1 371.328 3.138 20 5 FGBDMM Cc1cc(NCc2n[nH]c(-c3ccc(F)cc3)n2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832898939 601545883 /nfs/dbraw/zinc/54/58/83/601545883.db2.gz ZZGGTCSCXBMJQN-UHFFFAOYSA-N -1 1 371.328 3.138 20 5 FGBDMM COc1cccc(F)c1[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826216653 607567175 /nfs/dbraw/zinc/56/71/75/607567175.db2.gz ILQMMJAGGOMSDP-SECBINFHSA-N -1 1 358.333 3.096 20 5 FGBDMM COc1cccc(F)c1[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826216653 607567177 /nfs/dbraw/zinc/56/71/77/607567177.db2.gz ILQMMJAGGOMSDP-SECBINFHSA-N -1 1 358.333 3.096 20 5 FGBDMM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000833811696 605605376 /nfs/dbraw/zinc/60/53/76/605605376.db2.gz DOMDHEVTAUFIRF-TZMCWYRMSA-N -1 1 374.397 3.118 20 5 FGBDMM CN(Cc1ccc(Cl)s1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821611299 606645037 /nfs/dbraw/zinc/64/50/37/606645037.db2.gz ZRIUONICZGHSIE-UHFFFAOYSA-N -1 1 350.791 3.126 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCCC2(C1)CCCCCC2 ZINC000823620582 606714104 /nfs/dbraw/zinc/71/41/04/606714104.db2.gz MUGWBWCAHLIGBR-UHFFFAOYSA-N -1 1 357.418 3.111 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCCC2(C1)CCCCCC2 ZINC000823620582 606714106 /nfs/dbraw/zinc/71/41/06/606714106.db2.gz MUGWBWCAHLIGBR-UHFFFAOYSA-N -1 1 357.418 3.111 20 5 FGBDMM CC(C)c1ccc(C[C@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000824459047 608306361 /nfs/dbraw/zinc/30/63/61/608306361.db2.gz YOBMWIQQIJTQRD-LBPRGKRZSA-N -1 1 367.413 3.336 20 5 FGBDMM CC(C)c1ccc(C[C@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000824459047 608306362 /nfs/dbraw/zinc/30/63/62/608306362.db2.gz YOBMWIQQIJTQRD-LBPRGKRZSA-N -1 1 367.413 3.336 20 5 FGBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(O)c2F)cc1[N+](=O)[O-] ZINC000131522879 700816569 /nfs/dbraw/zinc/81/65/69/700816569.db2.gz YTUFCPYIGBVDTQ-UHFFFAOYSA-N -1 1 360.750 3.202 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1N1CCCC1 ZINC000194542529 713525179 /nfs/dbraw/zinc/52/51/79/713525179.db2.gz OVNXWJKXVYMCAE-UHFFFAOYSA-N -1 1 361.423 3.304 20 5 FGBDMM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000263066170 713735368 /nfs/dbraw/zinc/73/53/68/713735368.db2.gz OAQHRTUDLUZGKC-YPMHNXCESA-N -1 1 361.423 3.261 20 5 FGBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619581975 714855508 /nfs/dbraw/zinc/85/55/08/714855508.db2.gz PARBBLHIQQPUTA-UHFFFAOYSA-N -1 1 354.284 3.292 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCc1ccccc1 ZINC000725816528 722423136 /nfs/dbraw/zinc/42/31/36/722423136.db2.gz HGKCBWAOXJUFJW-UHFFFAOYSA-N -1 1 354.815 3.159 20 5 FGBDMM CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])SC ZINC000742339035 722555887 /nfs/dbraw/zinc/55/58/87/722555887.db2.gz DUADUSBFIDDBON-UHFFFAOYSA-N -1 1 366.892 3.448 20 5 FGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc3c2CCCC3)ccc1F ZINC000748640172 722699596 /nfs/dbraw/zinc/69/95/96/722699596.db2.gz TXUUBSOTBIWMJI-UHFFFAOYSA-N -1 1 350.371 3.414 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)c1 ZINC000758407185 722989213 /nfs/dbraw/zinc/98/92/13/722989213.db2.gz FRLPXIOXXWGOFD-UHFFFAOYSA-N -1 1 361.423 3.005 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000760337214 723050082 /nfs/dbraw/zinc/05/00/82/723050082.db2.gz MNORHAACSPGYLO-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000767854217 723636978 /nfs/dbraw/zinc/63/69/78/723636978.db2.gz MKZYJKJQBLMEDM-SECBINFHSA-N -1 1 354.762 3.104 20 5 FGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1Cl ZINC000771588558 723738433 /nfs/dbraw/zinc/73/84/33/723738433.db2.gz JEHLDNLHXWKZPF-UHFFFAOYSA-N -1 1 368.798 3.374 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000775471413 723993650 /nfs/dbraw/zinc/99/36/50/723993650.db2.gz VBXLKQAUOQHQFQ-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)ccc1[N+](=O)[O-] ZINC000800052423 724136936 /nfs/dbraw/zinc/13/69/36/724136936.db2.gz WHFCBAFOERBCCI-UHFFFAOYSA-N -1 1 369.330 3.060 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2F)cs1 ZINC000800844913 724236365 /nfs/dbraw/zinc/23/63/65/724236365.db2.gz QXKKVMXTTCYKPE-UHFFFAOYSA-N -1 1 368.314 3.198 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccs2)c1Cl ZINC000809386198 725241339 /nfs/dbraw/zinc/24/13/39/725241339.db2.gz JAJJTJLCOULHKL-UHFFFAOYSA-N -1 1 367.235 3.442 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1F ZINC000813715158 726908191 /nfs/dbraw/zinc/90/81/91/726908191.db2.gz OVEJMLVGUYZDDW-UHFFFAOYSA-N -1 1 368.361 3.229 20 5 FGBDMM CC(C)(C)SCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815010601 727018961 /nfs/dbraw/zinc/01/89/61/727018961.db2.gz LVWMPKKVEQFPRM-UHFFFAOYSA-N -1 1 370.855 3.197 20 5 FGBDMM CSCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830563614 729571970 /nfs/dbraw/zinc/57/19/70/729571970.db2.gz LNFFPNBDBVXZER-SSDOTTSWSA-N -1 1 373.283 3.322 20 5 FGBDMM Cc1csc([C@@H](C)[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)n1 ZINC000848582123 731185300 /nfs/dbraw/zinc/18/53/00/731185300.db2.gz WXDQLAZJZCECEX-SECBINFHSA-N -1 1 357.338 3.209 20 5 FGBDMM CC(C)(C)OC1CCC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000867616719 733501148 /nfs/dbraw/zinc/50/11/48/733501148.db2.gz ZQJRVCKOJBJGBF-UHFFFAOYSA-N -1 1 374.434 3.139 20 5 FGBDMM O=C(CSc1c(F)cc(F)cc1F)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000917440138 758222132 /nfs/dbraw/zinc/22/21/32/758222132.db2.gz NSJBPYYVRYDOAG-UHFFFAOYSA-N -1 1 370.308 3.061 20 5 FGBDMM Cc1ccc(SCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000918191183 758314057 /nfs/dbraw/zinc/31/40/57/758314057.db2.gz MSFPVPKULHLPPF-UHFFFAOYSA-N -1 1 370.427 3.113 20 5 FGBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1[O-] ZINC000009890694 494135139 /nfs/dbraw/zinc/13/51/39/494135139.db2.gz ZEKRQJGTADPIMB-UHFFFAOYSA-N -1 1 351.362 3.296 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2csc3ccccc23)s1 ZINC000066000669 494266879 /nfs/dbraw/zinc/26/68/79/494266879.db2.gz OCQHOCSVPKMZGX-UHFFFAOYSA-N -1 1 354.434 3.350 20 5 FGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000132867238 494935718 /nfs/dbraw/zinc/93/57/18/494935718.db2.gz MDNUQRNAIUJFMR-UHFFFAOYSA-N -1 1 368.798 3.388 20 5 FGBDMM CCCOc1ccccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000133425763 495012820 /nfs/dbraw/zinc/01/28/20/495012820.db2.gz VSSPJZGASYTIOD-UHFFFAOYSA-N -1 1 364.423 3.368 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000568715761 505759244 /nfs/dbraw/zinc/75/92/44/505759244.db2.gz KXKYHYLPSYECJN-OAHLLOKOSA-N -1 1 359.357 3.072 20 5 FGBDMM CCCc1nnc([N-]C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])s1 ZINC000115232021 495477734 /nfs/dbraw/zinc/47/77/34/495477734.db2.gz NBUMOXWPTTWASQ-UHFFFAOYSA-N -1 1 366.399 3.058 20 5 FGBDMM Cc1csc([C@@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C2CC2)n1 ZINC000173463365 495541047 /nfs/dbraw/zinc/54/10/47/495541047.db2.gz UNQBFRGASUYRAQ-ZDUSSCGKSA-N -1 1 367.452 3.098 20 5 FGBDMM Cc1csc([C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C2CC2)n1 ZINC000173463351 495541426 /nfs/dbraw/zinc/54/14/26/495541426.db2.gz UNQBFRGASUYRAQ-CYBMUJFWSA-N -1 1 367.452 3.098 20 5 FGBDMM O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185532733 495612272 /nfs/dbraw/zinc/61/22/72/495612272.db2.gz JRSMGATWJOESLF-INIZCTEOSA-N -1 1 368.349 3.281 20 5 FGBDMM O=C(NC(c1cccs1)c1cccs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185698094 495685299 /nfs/dbraw/zinc/68/52/99/495685299.db2.gz TXMXARYUUXYBPC-UHFFFAOYSA-N -1 1 361.404 3.338 20 5 FGBDMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000171013660 495688630 /nfs/dbraw/zinc/68/86/30/495688630.db2.gz PHCQRLLXDZECEB-LBPRGKRZSA-N -1 1 350.396 3.411 20 5 FGBDMM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186755946 496137602 /nfs/dbraw/zinc/13/76/02/496137602.db2.gz JEPSCKHSJIOEIH-UHFFFAOYSA-N -1 1 356.165 3.274 20 5 FGBDMM CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000187155245 496316243 /nfs/dbraw/zinc/31/62/43/496316243.db2.gz MHEPDXKLTZQJRY-FZMZJTMJSA-N -1 1 359.382 3.464 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000187552896 496487378 /nfs/dbraw/zinc/48/73/78/496487378.db2.gz ZEGCBIFBQFSULV-MRXNPFEDSA-N -1 1 353.378 3.378 20 5 FGBDMM O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181935177 496604690 /nfs/dbraw/zinc/60/46/90/496604690.db2.gz RZJUBVAAZZYTKL-INIZCTEOSA-N -1 1 368.349 3.281 20 5 FGBDMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc([N+](=O)[O-])ccc3[O-])[nH]c2c1 ZINC000181941918 496607359 /nfs/dbraw/zinc/60/73/59/496607359.db2.gz LFJNWBMLGYAQFX-MRXNPFEDSA-N -1 1 366.377 3.462 20 5 FGBDMM CCc1onc(C)c1[N-]C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000154027731 496659631 /nfs/dbraw/zinc/65/96/31/496659631.db2.gz KINHYOHSCYODFC-UHFFFAOYSA-N -1 1 371.296 3.316 20 5 FGBDMM C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188190873 496712505 /nfs/dbraw/zinc/71/25/05/496712505.db2.gz DPKVOUMFLMCMGR-VIFPVBQESA-N -1 1 358.379 3.138 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1OC ZINC000271366831 497330017 /nfs/dbraw/zinc/33/00/17/497330017.db2.gz AXGZDKPMVTWYOU-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193490619 497394536 /nfs/dbraw/zinc/39/45/36/497394536.db2.gz URWAGVCHAUAJGG-HOTGVXAUSA-N -1 1 355.394 3.494 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000194054190 497559473 /nfs/dbraw/zinc/55/94/73/497559473.db2.gz NPNMTRVJYLPGSH-WCQYABFASA-N -1 1 370.789 3.222 20 5 FGBDMM C[C@@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301137763 497967658 /nfs/dbraw/zinc/96/76/58/497967658.db2.gz DEBZOUWOANDWFI-CYBMUJFWSA-N -1 1 361.423 3.242 20 5 FGBDMM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000303855098 498723490 /nfs/dbraw/zinc/72/34/90/498723490.db2.gz SIJVRCCBCXIEOU-UHFFFAOYSA-N -1 1 370.377 3.174 20 5 FGBDMM CCN(CC)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000299010126 498940679 /nfs/dbraw/zinc/94/06/79/498940679.db2.gz VWCIFNPGRDSJOP-UHFFFAOYSA-N -1 1 364.789 3.311 20 5 FGBDMM Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1C(=O)[O-] ZINC000391961693 499557687 /nfs/dbraw/zinc/55/76/87/499557687.db2.gz KIWMKHGUZBBNBA-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM O=C(N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000412622048 499869886 /nfs/dbraw/zinc/86/98/86/499869886.db2.gz ZJGHVCFOICLDDO-BXUZGUMPSA-N -1 1 361.785 3.415 20 5 FGBDMM O=C([O-])C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ccccc2)c1 ZINC000426733914 500312637 /nfs/dbraw/zinc/31/26/37/500312637.db2.gz ZVLWAQGFAUWKTK-GOSISDBHSA-N -1 1 366.377 3.086 20 5 FGBDMM CC(C)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000437344396 500633149 /nfs/dbraw/zinc/63/31/49/500633149.db2.gz SGRVVOKRUKVMNL-ZDUSSCGKSA-N -1 1 372.443 3.341 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(F)c(Cl)cc2F)s1 ZINC000433439880 500693989 /nfs/dbraw/zinc/69/39/89/500693989.db2.gz OFDFNXTZABOBEM-UHFFFAOYSA-N -1 1 368.770 3.066 20 5 FGBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)c1ccccc1OC ZINC000445180297 500952348 /nfs/dbraw/zinc/95/23/48/500952348.db2.gz AZLFVCOCAYKFQM-GFCCVEGCSA-N -1 1 359.382 3.317 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000445217264 500955843 /nfs/dbraw/zinc/95/58/43/500955843.db2.gz PIECKFREBOPOOR-BBWFWOEESA-N -1 1 367.405 3.494 20 5 FGBDMM O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)n2)c1 ZINC000445478093 500992782 /nfs/dbraw/zinc/99/27/82/500992782.db2.gz PZFJTCCBKYFHPT-UHFFFAOYSA-N -1 1 367.296 3.342 20 5 FGBDMM CCOC(=O)c1ccnc([N-]c2cnn(CCC(C)C)c2C)c1[N+](=O)[O-] ZINC000441955377 501187767 /nfs/dbraw/zinc/18/77/67/501187767.db2.gz IGOJFDCVEPYJIV-UHFFFAOYSA-N -1 1 361.402 3.461 20 5 FGBDMM Cc1c(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cccc1[N+](=O)[O-] ZINC000436917529 501232477 /nfs/dbraw/zinc/23/24/77/501232477.db2.gz ZORUCPMIARGHRD-UHFFFAOYSA-N -1 1 373.756 3.300 20 5 FGBDMM Cc1c(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cccc1[N+](=O)[O-] ZINC000436917529 501232479 /nfs/dbraw/zinc/23/24/79/501232479.db2.gz ZORUCPMIARGHRD-UHFFFAOYSA-N -1 1 373.756 3.300 20 5 FGBDMM O=C(NCC[C@@H](c1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000452142385 501445018 /nfs/dbraw/zinc/44/50/18/501445018.db2.gz XAXYPXJEFHWJBN-ZDUSSCGKSA-N -1 1 369.299 3.161 20 5 FGBDMM O=C(N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000457100850 501650829 /nfs/dbraw/zinc/65/08/29/501650829.db2.gz WEBAFGQGDXRRJU-BXUZGUMPSA-N -1 1 361.785 3.415 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000457268872 501674189 /nfs/dbraw/zinc/67/41/89/501674189.db2.gz FAOAQOSNXFDVRE-MRXNPFEDSA-N -1 1 353.378 3.453 20 5 FGBDMM C[C@]1(Cc2ccccc2F)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000592832629 506271161 /nfs/dbraw/zinc/27/11/61/506271161.db2.gz ULUGPNMLRDMJDW-GOSISDBHSA-N -1 1 359.357 3.072 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2c(C)ccc3ncccc32)cc1[N+](=O)[O-] ZINC000611737597 506278347 /nfs/dbraw/zinc/27/83/47/506278347.db2.gz SBVCNPTZTPOLTB-UHFFFAOYSA-N -1 1 373.390 3.261 20 5 FGBDMM O=C(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000478658280 502047646 /nfs/dbraw/zinc/04/76/46/502047646.db2.gz UBYQKIDYMIKCKD-UHFFFAOYSA-N -1 1 365.271 3.380 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000486691310 502233222 /nfs/dbraw/zinc/23/32/22/502233222.db2.gz XGBWTTQWIKTEHY-VIFPVBQESA-N -1 1 354.762 3.104 20 5 FGBDMM COc1cc(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)cc([N+](=O)[O-])c1C ZINC000484036697 502555502 /nfs/dbraw/zinc/55/55/02/502555502.db2.gz DMYYOZWKCZNIDU-UHFFFAOYSA-N -1 1 372.406 3.346 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000480713409 502650233 /nfs/dbraw/zinc/65/02/33/502650233.db2.gz MARNTNRYLNUJLG-YPMHNXCESA-N -1 1 370.427 3.410 20 5 FGBDMM COCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000463439626 502804332 /nfs/dbraw/zinc/80/43/32/502804332.db2.gz AWHYQYHKXQCSJO-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000497946258 503072266 /nfs/dbraw/zinc/07/22/66/503072266.db2.gz MASIJTFZRIQQQB-UHFFFAOYSA-N -1 1 362.407 3.493 20 5 FGBDMM CCOc1cccc2cc([C@H](C)NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)oc21 ZINC000512560922 503583977 /nfs/dbraw/zinc/58/39/77/503583977.db2.gz HICHAFJBEZFBPA-JTQLQIEISA-N -1 1 371.349 3.331 20 5 FGBDMM CCC[C@@H](NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000547189698 504014188 /nfs/dbraw/zinc/01/41/88/504014188.db2.gz FAWMGUDUWMJCNQ-GFCCVEGCSA-N -1 1 355.354 3.244 20 5 FGBDMM Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c1Cl ZINC000548197061 504367005 /nfs/dbraw/zinc/36/70/05/504367005.db2.gz QMJXLEYHYTZJHK-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000539854213 504718024 /nfs/dbraw/zinc/71/80/24/504718024.db2.gz NUQHCYUPENKVTK-UHFFFAOYSA-N -1 1 362.407 3.418 20 5 FGBDMM CCOC(=O)c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c([O-])c1 ZINC000536625796 504770925 /nfs/dbraw/zinc/77/09/25/504770925.db2.gz SUILGYMFSQMPFZ-UHFFFAOYSA-N -1 1 369.333 3.211 20 5 FGBDMM CC(C)[C@H](NC(=O)c1ccccc1)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000565141034 504806623 /nfs/dbraw/zinc/80/66/23/504806623.db2.gz BMBNBNDNZXJDFB-AWEZNQCLSA-N -1 1 355.354 3.100 20 5 FGBDMM CCc1nc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[n-]c(=O)c1C ZINC000565550986 504920083 /nfs/dbraw/zinc/92/00/83/504920083.db2.gz SUDZLOHVJDMEEL-UHFFFAOYSA-N -1 1 373.394 3.304 20 5 FGBDMM CC(C)CSCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000549865138 504921489 /nfs/dbraw/zinc/92/14/89/504921489.db2.gz UIBUCBMHFSYFHC-UHFFFAOYSA-N -1 1 366.892 3.306 20 5 FGBDMM C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743580 506757710 /nfs/dbraw/zinc/75/77/10/506757710.db2.gz KEOVFBHWXITHJM-KZULUSFZSA-N -1 1 356.378 3.117 20 5 FGBDMM C[C@H]([C@H]1Cc2ccccc2O1)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743580 506757717 /nfs/dbraw/zinc/75/77/17/506757717.db2.gz KEOVFBHWXITHJM-KZULUSFZSA-N -1 1 356.378 3.117 20 5 FGBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCc2ccc(Cl)cc21 ZINC000593900193 506826151 /nfs/dbraw/zinc/82/61/51/506826151.db2.gz LEEGTAKEXPSJGN-JTQLQIEISA-N -1 1 361.785 3.151 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)c1 ZINC000612997949 506857494 /nfs/dbraw/zinc/85/74/94/506857494.db2.gz WFPWZXWRAZADEB-UHFFFAOYSA-N -1 1 350.396 3.335 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)ccc1[N+](=O)[O-] ZINC000609658001 506963849 /nfs/dbraw/zinc/96/38/49/506963849.db2.gz CRXFXCFIXJWOGZ-UHFFFAOYSA-N -1 1 362.407 3.493 20 5 FGBDMM COc1cccc([N+](=O)[O-])c1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000594566065 507188493 /nfs/dbraw/zinc/18/84/93/507188493.db2.gz AMMZJDJHIPJULB-UHFFFAOYSA-N -1 1 356.378 3.408 20 5 FGBDMM O=C([N-]c1nnc(C2CC2)s1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000610570468 507294837 /nfs/dbraw/zinc/29/48/37/507294837.db2.gz GHCUVOVVWZOIJF-UHFFFAOYSA-N -1 1 369.200 3.339 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])cc1CN[C@H](CC(=O)[O-])c1cccs1 ZINC000585731872 507607958 /nfs/dbraw/zinc/60/79/58/507607958.db2.gz YPKSBZTXUGFGHE-CYBMUJFWSA-N -1 1 350.396 3.361 20 5 FGBDMM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000740514707 602378562 /nfs/dbraw/zinc/37/85/62/602378562.db2.gz DWYVKYWNDOGATB-SWLSCSKDSA-N -1 1 351.378 3.088 20 5 FGBDMM CC[C@H](C)Oc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820876121 606700492 /nfs/dbraw/zinc/70/04/92/606700492.db2.gz MALNZFDHKHZAPF-JTQLQIEISA-N -1 1 355.358 3.091 20 5 FGBDMM CC[C@H](C)Oc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820876121 606700493 /nfs/dbraw/zinc/70/04/93/606700493.db2.gz MALNZFDHKHZAPF-JTQLQIEISA-N -1 1 355.358 3.091 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000823620223 607163481 /nfs/dbraw/zinc/16/34/81/607163481.db2.gz IIRAZGCMRIYTEO-CYBMUJFWSA-N -1 1 371.788 3.387 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000823620223 607163482 /nfs/dbraw/zinc/16/34/82/607163482.db2.gz IIRAZGCMRIYTEO-CYBMUJFWSA-N -1 1 371.788 3.387 20 5 FGBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000134092057 704812238 /nfs/dbraw/zinc/81/22/38/704812238.db2.gz AIZLUJSVZGZFEX-UHFFFAOYSA-N -1 1 364.276 3.260 20 5 FGBDMM C[C@@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000732226829 722482735 /nfs/dbraw/zinc/48/27/35/722482735.db2.gz BQUOAJVVFZVSRS-QLJPJBMISA-N -1 1 366.826 3.460 20 5 FGBDMM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742311263 722555001 /nfs/dbraw/zinc/55/50/01/722555001.db2.gz ALTQXAXPDPDHLK-HZPDHXFCSA-N -1 1 366.826 3.257 20 5 FGBDMM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000742322776 722555388 /nfs/dbraw/zinc/55/53/88/722555388.db2.gz CUAPTXRFDMXJER-JTQLQIEISA-N -1 1 372.830 3.449 20 5 FGBDMM CCC(CC)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])SC ZINC000742339287 722555891 /nfs/dbraw/zinc/55/58/91/722555891.db2.gz RQJFEVIFUZPLIP-UHFFFAOYSA-N -1 1 366.892 3.448 20 5 FGBDMM O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(Br)c([O-])c1 ZINC000750550728 722772230 /nfs/dbraw/zinc/77/22/30/722772230.db2.gz IGXKLYJFLJRDFT-UHFFFAOYSA-N -1 1 352.140 3.420 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccsc2)c(Cl)cc1Cl ZINC000791423982 723242198 /nfs/dbraw/zinc/24/21/98/723242198.db2.gz VWQFCIRWFAWBMP-UHFFFAOYSA-N -1 1 367.235 3.442 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(Cl)n1 ZINC000764532512 723422443 /nfs/dbraw/zinc/42/24/43/723422443.db2.gz BFYXUUBMIQAYOP-UHFFFAOYSA-N -1 1 371.802 3.069 20 5 FGBDMM O=C(Nc1cc(F)c(N2CCCCC2)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000778979378 724377766 /nfs/dbraw/zinc/37/77/66/724377766.db2.gz UDPXXXGSQNYKFC-UHFFFAOYSA-N -1 1 350.325 3.444 20 5 FGBDMM CC(C)([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809821074 725270946 /nfs/dbraw/zinc/27/09/46/725270946.db2.gz HPQGBDBLKHEVBV-UHFFFAOYSA-N -1 1 353.227 3.369 20 5 FGBDMM O=c1cc(C(F)F)nc(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[n-]1 ZINC000809986766 725280796 /nfs/dbraw/zinc/28/07/96/725280796.db2.gz MCTLIRTXUBLOKZ-UHFFFAOYSA-N -1 1 358.282 3.229 20 5 FGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1Cl ZINC000811831601 725382124 /nfs/dbraw/zinc/38/21/24/725382124.db2.gz FRHKMCJCVUBPAH-UHFFFAOYSA-N -1 1 366.782 3.423 20 5 FGBDMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000817391773 727246446 /nfs/dbraw/zinc/24/64/46/727246446.db2.gz DFJDUQMDWGCRBS-SNVBAGLBSA-N -1 1 350.824 3.051 20 5 FGBDMM Cc1ccc([C@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000822231041 729155684 /nfs/dbraw/zinc/15/56/84/729155684.db2.gz YFZMLEWMDNBWEL-VIFPVBQESA-N -1 1 359.367 3.063 20 5 FGBDMM Cc1ccc([C@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000822231041 729155687 /nfs/dbraw/zinc/15/56/87/729155687.db2.gz YFZMLEWMDNBWEL-VIFPVBQESA-N -1 1 359.367 3.063 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)c1Cl ZINC000828210989 729441229 /nfs/dbraw/zinc/44/12/29/729441229.db2.gz GEKOXAFKHDVLPU-KHQFGBGNSA-N -1 1 365.238 3.369 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCS2)c1Cl ZINC000830845071 729597063 /nfs/dbraw/zinc/59/70/63/729597063.db2.gz HRLOMGALCYUDJW-ZETCQYMHSA-N -1 1 371.267 3.076 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]nc1C(C)C ZINC000842824904 730547216 /nfs/dbraw/zinc/54/72/16/730547216.db2.gz SANZQNMAEUUKTN-UHFFFAOYSA-N -1 1 358.807 3.204 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000021012882 220347854 /nfs/dbraw/zinc/34/78/54/220347854.db2.gz AUUDGHHOOMZGBQ-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM CCCc1cc(=O)[n-]c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)n1 ZINC000031840756 493963220 /nfs/dbraw/zinc/96/32/20/493963220.db2.gz VVHGKJNTUFASQH-UHFFFAOYSA-N -1 1 373.394 3.385 20 5 FGBDMM CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000032098387 493975127 /nfs/dbraw/zinc/97/51/27/493975127.db2.gz DRBKWZSBWFTNMW-UHFFFAOYSA-N -1 1 350.396 3.357 20 5 FGBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000064374720 494118627 /nfs/dbraw/zinc/11/86/27/494118627.db2.gz BXXRNUCDSLSMPT-UHFFFAOYSA-N -1 1 372.786 3.066 20 5 FGBDMM Cc1nc(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)cs1 ZINC000016494814 494393096 /nfs/dbraw/zinc/39/30/96/494393096.db2.gz PSFFRWPCDJEAHV-UHFFFAOYSA-N -1 1 370.390 3.057 20 5 FGBDMM O=C([N-]c1ncn(Cc2ccccc2)n1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000067681283 494608738 /nfs/dbraw/zinc/60/87/38/494608738.db2.gz LARDYUFBWYLWSJ-UHFFFAOYSA-N -1 1 357.757 3.140 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)OC(C)(C)O2 ZINC000108359146 494687896 /nfs/dbraw/zinc/68/78/96/494687896.db2.gz GOYGMOHCFCESNL-UHFFFAOYSA-N -1 1 364.379 3.211 20 5 FGBDMM COc1cc(C(=O)[N-]c2nc(C(C)(C)C)ns2)c([N+](=O)[O-])cc1OC ZINC000068074535 494751667 /nfs/dbraw/zinc/75/16/67/494751667.db2.gz AZNSIOVHJQXMFO-UHFFFAOYSA-N -1 1 366.399 3.013 20 5 FGBDMM CCCc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000126535126 494782470 /nfs/dbraw/zinc/78/24/70/494782470.db2.gz IHCAILBADGBYGH-UHFFFAOYSA-N -1 1 358.807 3.033 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(Cc2ccccc2)ns1 ZINC000107197157 495523535 /nfs/dbraw/zinc/52/35/35/495523535.db2.gz KBVADBJGVSBCRX-UHFFFAOYSA-N -1 1 370.390 3.298 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000146559515 495566977 /nfs/dbraw/zinc/56/69/77/495566977.db2.gz WFERTELTEMTAKD-UHFFFAOYSA-N -1 1 372.855 3.319 20 5 FGBDMM CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@H]1c1ccccc1 ZINC000174094412 495818745 /nfs/dbraw/zinc/81/87/45/495818745.db2.gz IAGRNNRVQNLDOH-XJKSGUPXSA-N -1 1 355.394 3.351 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)s1 ZINC000568981813 505822982 /nfs/dbraw/zinc/82/29/82/505822982.db2.gz PWGGSHONVZJHAB-UHFFFAOYSA-N -1 1 354.434 3.350 20 5 FGBDMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cccc([N+](=O)[O-])c3[O-])[nH]c2c1 ZINC000178212610 496372228 /nfs/dbraw/zinc/37/22/28/496372228.db2.gz MEZYTSRHVJRUAG-INIZCTEOSA-N -1 1 366.377 3.462 20 5 FGBDMM COCCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000191889787 496922023 /nfs/dbraw/zinc/92/20/23/496922023.db2.gz NIQGFPZMVZCVEE-UHFFFAOYSA-N -1 1 368.386 3.032 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1[N+](=O)[O-] ZINC000191903218 496926355 /nfs/dbraw/zinc/92/63/55/496926355.db2.gz AIEGHLNJSYXOFU-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000194029575 497552466 /nfs/dbraw/zinc/55/24/66/497552466.db2.gz YDCRFLLHGZUPRV-UHFFFAOYSA-N -1 1 361.785 3.369 20 5 FGBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nc(-c2ccccc2)cs1 ZINC000303246499 498657110 /nfs/dbraw/zinc/65/71/10/498657110.db2.gz AETQRJVCRWWTHH-SNVBAGLBSA-N -1 1 370.390 3.310 20 5 FGBDMM Cc1cccc(NC[C@H]2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)C2)n1 ZINC000576282833 506120654 /nfs/dbraw/zinc/12/06/54/506120654.db2.gz VRHRZVCDQOPGJB-CQSZACIVSA-N -1 1 370.409 3.243 20 5 FGBDMM Cc1nc(-c2ccc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)cs1 ZINC000582220455 506161497 /nfs/dbraw/zinc/16/14/97/506161497.db2.gz YDPUNFDAZQDTHE-UHFFFAOYSA-N -1 1 370.390 3.057 20 5 FGBDMM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000426723918 500310982 /nfs/dbraw/zinc/31/09/82/500310982.db2.gz ODIFMWBFFXMYRU-HNNXBMFYSA-N -1 1 368.748 3.311 20 5 FGBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3ccccc32)c1 ZINC000432192872 500482471 /nfs/dbraw/zinc/48/24/71/500482471.db2.gz PSVNDIKDMMKPAH-UHFFFAOYSA-N -1 1 372.358 3.247 20 5 FGBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cccc3ccccc32)c([N+](=O)[O-])n1 ZINC000435803820 501030968 /nfs/dbraw/zinc/03/09/68/501030968.db2.gz KBOHNGLWIJNXSR-LBPRGKRZSA-N -1 1 374.422 3.004 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c(F)cccc32)s1 ZINC000451593192 501332397 /nfs/dbraw/zinc/33/23/97/501332397.db2.gz SBUCWQQDRJTBGV-GFCCVEGCSA-N -1 1 356.400 3.151 20 5 FGBDMM O=C(N[C@@H](c1ccc(F)c(Cl)c1)C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452587861 501528091 /nfs/dbraw/zinc/52/80/91/501528091.db2.gz HZYOZLGDBVVGLU-CQSZACIVSA-N -1 1 365.748 3.369 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000491763021 503329628 /nfs/dbraw/zinc/32/96/28/503329628.db2.gz QOLGXGQDVLOLRB-UHFFFAOYSA-N -1 1 362.407 3.337 20 5 FGBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000512707695 503617501 /nfs/dbraw/zinc/61/75/01/503617501.db2.gz NBUAFEJKTGLMOW-UHFFFAOYSA-N -1 1 363.333 3.424 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccn(-c4c(F)cccc4F)n3)no2)[n-]1 ZINC000546530482 503778282 /nfs/dbraw/zinc/77/82/82/503778282.db2.gz FVJVOVUUXLPHFS-UHFFFAOYSA-N -1 1 372.291 3.028 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCc1cccs1 ZINC000537655707 503993574 /nfs/dbraw/zinc/99/35/74/503993574.db2.gz GDOZBVQLKLHVCZ-UHFFFAOYSA-N -1 1 360.844 3.221 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC000541071857 503996223 /nfs/dbraw/zinc/99/62/23/503996223.db2.gz PFEMCONXBLFITP-UHFFFAOYSA-N -1 1 362.407 3.283 20 5 FGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000534941908 504287407 /nfs/dbraw/zinc/28/74/07/504287407.db2.gz HCKQLBFSWSEKRK-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)cc(Cl)c1[O-] ZINC000562476605 504832542 /nfs/dbraw/zinc/83/25/42/504832542.db2.gz ZMQLQKLETUQBRJ-UHFFFAOYSA-N -1 1 362.729 3.465 20 5 FGBDMM O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1CCOc1ccccc1[N+](=O)[O-] ZINC000566509489 505192253 /nfs/dbraw/zinc/19/22/53/505192253.db2.gz FPTBYJHCLXUOED-DOTOQJQBSA-N -1 1 356.378 3.264 20 5 FGBDMM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611535462 507726981 /nfs/dbraw/zinc/72/69/81/507726981.db2.gz DGIJGDAXJSRACP-HNNXBMFYSA-N -1 1 369.421 3.037 20 5 FGBDMM CN(Cc1nc2ccccc2s1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825992300 607450284 /nfs/dbraw/zinc/45/02/84/607450284.db2.gz UHNNBEMCFPXBBU-UHFFFAOYSA-N -1 1 367.394 3.021 20 5 FGBDMM CN(Cc1nc2ccccc2s1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825992300 607450285 /nfs/dbraw/zinc/45/02/85/607450285.db2.gz UHNNBEMCFPXBBU-UHFFFAOYSA-N -1 1 367.394 3.021 20 5 FGBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2CCc2ccccc2)cc1-c1nnn[n-]1 ZINC000826499023 607453159 /nfs/dbraw/zinc/45/31/59/607453159.db2.gz RZYOOHWQMAHRME-OAHLLOKOSA-N -1 1 364.409 3.377 20 5 FGBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2CCc2ccccc2)cc1-c1nn[n-]n1 ZINC000826499023 607453161 /nfs/dbraw/zinc/45/31/61/607453161.db2.gz RZYOOHWQMAHRME-OAHLLOKOSA-N -1 1 364.409 3.377 20 5 FGBDMM CC(C)(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2nnn[n-]2)s1 ZINC000824130199 607929944 /nfs/dbraw/zinc/92/99/44/607929944.db2.gz ITSSZBFEFLOZEK-UHFFFAOYSA-N -1 1 372.410 3.386 20 5 FGBDMM CC(C)(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(-c2nn[n-]n2)s1 ZINC000824130199 607929945 /nfs/dbraw/zinc/92/99/45/607929945.db2.gz ITSSZBFEFLOZEK-UHFFFAOYSA-N -1 1 372.410 3.386 20 5 FGBDMM COCCCn1ccc([N-]c2ncc([N+](=O)[O-])c(C)c2Br)n1 ZINC000544393233 673709823 /nfs/dbraw/zinc/70/98/23/673709823.db2.gz BYCFTTWNMGTKEW-UHFFFAOYSA-N -1 1 370.207 3.037 20 5 FGBDMM Cc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000104753826 700496231 /nfs/dbraw/zinc/49/62/31/700496231.db2.gz XMALMGJXTWEMKC-AWEZNQCLSA-N -1 1 350.371 3.008 20 5 FGBDMM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)C ZINC000119769126 700638322 /nfs/dbraw/zinc/63/83/22/700638322.db2.gz VRGGDIVORZFOGN-CYBMUJFWSA-N -1 1 355.441 3.035 20 5 FGBDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(F)c1 ZINC000120224347 700650741 /nfs/dbraw/zinc/65/07/41/700650741.db2.gz XWHSRVBCUUXBML-UHFFFAOYSA-N -1 1 360.388 3.383 20 5 FGBDMM COc1ccc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000780071261 724445279 /nfs/dbraw/zinc/44/52/79/724445279.db2.gz FOSMJUOPOONVBQ-UHFFFAOYSA-N -1 1 365.725 3.002 20 5 FGBDMM CCOc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725826246 722423969 /nfs/dbraw/zinc/42/39/69/722423969.db2.gz AGQAXRWNRUSJMF-UHFFFAOYSA-N -1 1 370.814 3.125 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000732221790 722482716 /nfs/dbraw/zinc/48/27/16/722482716.db2.gz JGXYKYUJQWLTHI-GFCCVEGCSA-N -1 1 366.826 3.257 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000742308290 722554943 /nfs/dbraw/zinc/55/49/43/722554943.db2.gz FLUWWMRQIISNBX-TZMCWYRMSA-N -1 1 366.826 3.158 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2)c(Cl)cc1Cl ZINC000791411367 723240685 /nfs/dbraw/zinc/24/06/85/723240685.db2.gz IHFPUHRVPSEXQD-UHFFFAOYSA-N -1 1 361.206 3.380 20 5 FGBDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C(F)(F)F ZINC000767603966 723625406 /nfs/dbraw/zinc/62/54/06/723625406.db2.gz ITBOYLHZKPMVEG-KRTXAFLBSA-N -1 1 372.340 3.298 20 5 FGBDMM C[C@H]1CCc2c(F)cccc2[C@@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768852579 723669659 /nfs/dbraw/zinc/66/96/59/723669659.db2.gz HWTGLSWIBGHCNL-BJOHPYRUSA-N -1 1 370.427 3.397 20 5 FGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 ZINC000769050378 723675694 /nfs/dbraw/zinc/67/56/94/723675694.db2.gz UOVHBBJAHAKDBC-VIFPVBQESA-N -1 1 364.741 3.138 20 5 FGBDMM CSc1ccccc1[C@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000799822493 724101703 /nfs/dbraw/zinc/10/17/03/724101703.db2.gz GRAMVKIUKWCWJI-VIFPVBQESA-N -1 1 358.466 3.418 20 5 FGBDMM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809843081 725272487 /nfs/dbraw/zinc/27/24/87/725272487.db2.gz JZVRIAVOVKKHFW-SNVBAGLBSA-N -1 1 371.267 3.074 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C1CC1 ZINC000814278611 726952953 /nfs/dbraw/zinc/95/29/53/726952953.db2.gz XNKDQBZBTVNTGK-CQSZACIVSA-N -1 1 364.398 3.206 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000815043942 727025262 /nfs/dbraw/zinc/02/52/62/727025262.db2.gz WSKFQYUFHGKDLU-SSDOTTSWSA-N -1 1 364.807 3.488 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000826293223 729406964 /nfs/dbraw/zinc/40/69/64/729406964.db2.gz GOMOSEPVWIIXJD-SECBINFHSA-N -1 1 359.367 3.063 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000826293223 729406965 /nfs/dbraw/zinc/40/69/65/729406965.db2.gz GOMOSEPVWIIXJD-SECBINFHSA-N -1 1 359.367 3.063 20 5 FGBDMM C[C@H](CN(Cc1cc(Br)c([N+](=O)[O-])s1)C1CC1)C(=O)[O-] ZINC000901993602 743694184 /nfs/dbraw/zinc/69/41/84/743694184.db2.gz RLHMXWNSLAGLTR-SSDOTTSWSA-N -1 1 363.233 3.104 20 5 FGBDMM C[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000903904587 743894780 /nfs/dbraw/zinc/89/47/80/743894780.db2.gz LXDCTTKYNWPVNP-NOZJJQNGSA-N -1 1 357.204 3.042 20 5 FGBDMM O=C([O-])c1cnc([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000905747577 744051602 /nfs/dbraw/zinc/05/16/02/744051602.db2.gz BBUMJWOLLCFWJX-SNVBAGLBSA-N -1 1 367.814 3.392 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000031534722 493946885 /nfs/dbraw/zinc/94/68/85/493946885.db2.gz KNAFQFCQXHYALK-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM CCc1onc(C)c1[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000089391710 494299002 /nfs/dbraw/zinc/29/90/02/494299002.db2.gz RYKUVVHSLOFBIB-UHFFFAOYSA-N -1 1 351.384 3.436 20 5 FGBDMM COC(=O)c1cc([N-]C(=O)c2c(F)cc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000121628521 494825173 /nfs/dbraw/zinc/82/51/73/494825173.db2.gz JZUDBYLPGKZMEC-UHFFFAOYSA-N -1 1 354.240 3.051 20 5 FGBDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000126784793 494837624 /nfs/dbraw/zinc/83/76/24/494837624.db2.gz AJGUNFADAUGZBQ-UHFFFAOYSA-N -1 1 372.834 3.361 20 5 FGBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(Br)c([O-])c1 ZINC000132711883 494912960 /nfs/dbraw/zinc/91/29/60/494912960.db2.gz NGKRLMRQDQCQIR-UHFFFAOYSA-N -1 1 365.183 3.035 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1 ZINC000134640897 495180242 /nfs/dbraw/zinc/18/02/42/495180242.db2.gz KMPNIJIMXYXLDM-NSHDSACASA-N -1 1 374.846 3.018 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Br)c([N+](=O)[O-])c1 ZINC000158530885 495531554 /nfs/dbraw/zinc/53/15/54/495531554.db2.gz BORNOXLREDQDJF-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000179390889 495572536 /nfs/dbraw/zinc/57/25/36/495572536.db2.gz WMFKGVGBVYAGTQ-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM CCOc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)cc(Cl)c1[O-] ZINC000186664021 496098146 /nfs/dbraw/zinc/09/81/46/496098146.db2.gz CEMBVWGCFSFXMN-UHFFFAOYSA-N -1 1 350.758 3.283 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3occ(C)c3c2)cc1[N+](=O)[O-] ZINC000187081192 496284336 /nfs/dbraw/zinc/28/43/36/496284336.db2.gz WCLNNSWUFNZFTL-UHFFFAOYSA-N -1 1 362.363 3.459 20 5 FGBDMM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2F)c(Cl)c1 ZINC000184249179 496303363 /nfs/dbraw/zinc/30/33/63/496303363.db2.gz GMEXFSFQHJWTSX-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM COc1ccccc1[C@@H](CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)N(C)C ZINC000571884963 505837936 /nfs/dbraw/zinc/83/79/36/505837936.db2.gz ZCQHHERVUQSJAO-MRXNPFEDSA-N -1 1 373.409 3.325 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c(C)c1F ZINC000181343820 496361017 /nfs/dbraw/zinc/36/10/17/496361017.db2.gz FATHGYKEUOOJQO-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM O=C(Nc1ccc(Cl)cc1[O-])c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000153439868 496456052 /nfs/dbraw/zinc/45/60/52/496456052.db2.gz LGTYZBGJNXLOJK-UHFFFAOYSA-N -1 1 359.725 3.048 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccnc2-c2ccccc2)ccc1[O-] ZINC000164993283 496644256 /nfs/dbraw/zinc/64/42/56/496644256.db2.gz HGSWSMGZSPTNPC-UHFFFAOYSA-N -1 1 371.374 3.163 20 5 FGBDMM Cc1ccc(-c2n[nH]c(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)n2)cc1 ZINC000154015285 496655701 /nfs/dbraw/zinc/65/57/01/496655701.db2.gz BUZUFOSDWPNJDB-UHFFFAOYSA-N -1 1 374.360 3.489 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000193486456 497393470 /nfs/dbraw/zinc/39/34/70/497393470.db2.gz WBKDGEZXMMJMIO-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000191174083 497733519 /nfs/dbraw/zinc/73/35/19/497733519.db2.gz OUWXMSDQVNYWRN-UHFFFAOYSA-N -1 1 354.771 3.252 20 5 FGBDMM CCOc1cc(-c2noc(CCC(C)(C)[N+](=O)[O-])n2)cc(Cl)c1[O-] ZINC000296916072 498250241 /nfs/dbraw/zinc/25/02/41/498250241.db2.gz PLFFIYNGFFXSLT-UHFFFAOYSA-N -1 1 355.778 3.482 20 5 FGBDMM Cc1cc(NCCN2CCc3sccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569977627 506060060 /nfs/dbraw/zinc/06/00/60/506060060.db2.gz QMAJECXCGYDSPS-UHFFFAOYSA-N -1 1 361.423 3.133 20 5 FGBDMM COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000282799302 498659088 /nfs/dbraw/zinc/65/90/88/498659088.db2.gz YGCFTMUHOMMHFZ-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000370465411 499223135 /nfs/dbraw/zinc/22/31/35/499223135.db2.gz SPPQTRITZFVXCD-UHFFFAOYSA-N -1 1 372.352 3.175 20 5 FGBDMM COc1ccc(-c2ccc(CN3CCCC[C@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000414680803 499820534 /nfs/dbraw/zinc/82/05/34/499820534.db2.gz LNYNALCAOZNKDN-HNNXBMFYSA-N -1 1 360.366 3.303 20 5 FGBDMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cccc([O-])c3[N+](=O)[O-])[nH]c2c1 ZINC000576482794 506169318 /nfs/dbraw/zinc/16/93/18/506169318.db2.gz CYOCOKJROXYXPE-HNNXBMFYSA-N -1 1 366.377 3.462 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)cc1C ZINC000431617574 500398589 /nfs/dbraw/zinc/39/85/89/500398589.db2.gz AUFZGWLOYHAZLT-HNNXBMFYSA-N -1 1 370.377 3.496 20 5 FGBDMM CCOc1cc([N-]C(=O)c2ccc(C(C)=O)o2)c([N+](=O)[O-])cc1OCC ZINC000447200328 500575230 /nfs/dbraw/zinc/57/52/30/500575230.db2.gz ONGRMAMHJABNTJ-UHFFFAOYSA-N -1 1 362.338 3.440 20 5 FGBDMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c1 ZINC000436941882 500575630 /nfs/dbraw/zinc/57/56/30/500575630.db2.gz GPZROHKXRROOBR-UHFFFAOYSA-N -1 1 368.349 3.208 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000442349570 500582832 /nfs/dbraw/zinc/58/28/32/500582832.db2.gz LHTMAORBSXXCMC-UHFFFAOYSA-N -1 1 350.396 3.491 20 5 FGBDMM COc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c([O-])c1 ZINC000443563476 500738509 /nfs/dbraw/zinc/73/85/09/500738509.db2.gz YVRVZPPGOMKWNC-UHFFFAOYSA-N -1 1 367.155 3.324 20 5 FGBDMM C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445145242 500948934 /nfs/dbraw/zinc/94/89/34/500948934.db2.gz UFQYVOFDOFREIT-QMMMGPOBSA-N -1 1 370.192 3.363 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cnn(-c4cccc(Cl)c4)c3)no2)[n-]1 ZINC000445652329 501015749 /nfs/dbraw/zinc/01/57/49/501015749.db2.gz YQFGJHICVHCLGP-UHFFFAOYSA-N -1 1 356.729 3.479 20 5 FGBDMM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)CCC1CCCCC1 ZINC000450986897 501237161 /nfs/dbraw/zinc/23/71/61/501237161.db2.gz SLPCIHCYZJXZQT-UHFFFAOYSA-N -1 1 356.444 3.453 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1 ZINC000481601882 501829304 /nfs/dbraw/zinc/82/93/04/501829304.db2.gz SCRKZNXHISHGGQ-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM Cc1oc2ccccc2c1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000464372419 501969640 /nfs/dbraw/zinc/96/96/40/501969640.db2.gz GJBQZCSVWGIGMM-UHFFFAOYSA-N -1 1 366.420 3.232 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1nc2ccc(F)cc2[nH]1 ZINC000486563067 502191376 /nfs/dbraw/zinc/19/13/76/502191376.db2.gz RLCFMNAFNMMSOT-UHFFFAOYSA-N -1 1 364.358 3.028 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)cc1C ZINC000468852343 502205960 /nfs/dbraw/zinc/20/59/60/502205960.db2.gz HFQIXTLEGGJIRD-UHFFFAOYSA-N -1 1 366.443 3.324 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)c1C ZINC000468855148 502207787 /nfs/dbraw/zinc/20/77/87/502207787.db2.gz GOVCZXWFFXOHLM-UHFFFAOYSA-N -1 1 366.443 3.324 20 5 FGBDMM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000509573236 502937860 /nfs/dbraw/zinc/93/78/60/502937860.db2.gz QZMWXSOCDLKLTI-UHFFFAOYSA-N -1 1 374.390 3.073 20 5 FGBDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000507003550 503209894 /nfs/dbraw/zinc/20/98/94/503209894.db2.gz WLYRVPBJOZXKQY-UHFFFAOYSA-N -1 1 350.396 3.493 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1OC ZINC000491676998 503326596 /nfs/dbraw/zinc/32/65/96/503326596.db2.gz QLDVRWRECCALQU-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000491833532 503332339 /nfs/dbraw/zinc/33/23/39/503332339.db2.gz WHHOHSLRHINSRC-UHFFFAOYSA-N -1 1 360.313 3.430 20 5 FGBDMM CCCc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1cc(C)ccn1 ZINC000546199238 503668131 /nfs/dbraw/zinc/66/81/31/503668131.db2.gz BPQYKHGMLPBZKA-UHFFFAOYSA-N -1 1 354.370 3.017 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000536899317 503755459 /nfs/dbraw/zinc/75/54/59/503755459.db2.gz FXMFYLLLGZUZDH-UHFFFAOYSA-N -1 1 361.423 3.005 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1 ZINC000543658014 503843686 /nfs/dbraw/zinc/84/36/86/503843686.db2.gz LLZHKMVADGWAQJ-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000543858640 503918312 /nfs/dbraw/zinc/91/83/12/503918312.db2.gz PAHLXGKIFOFDIW-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000533947487 503999160 /nfs/dbraw/zinc/99/91/60/503999160.db2.gz WMRSAWJSINHADG-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)c1 ZINC000518851138 504078929 /nfs/dbraw/zinc/07/89/29/504078929.db2.gz LGCSHAJDEMAPPY-UHFFFAOYSA-N -1 1 366.333 3.066 20 5 FGBDMM Cc1n[nH]c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1-c1ccccc1 ZINC000534681568 504213555 /nfs/dbraw/zinc/21/35/55/504213555.db2.gz GPMXTCSQXJUCKO-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[n-]c(=O)c1C ZINC000538516904 504271095 /nfs/dbraw/zinc/27/10/95/504271095.db2.gz WEAYTPCSDGBAPK-UHFFFAOYSA-N -1 1 368.802 3.091 20 5 FGBDMM O=c1cc(C(F)F)nc(SCc2nc3cc([N+](=O)[O-])ccc3o2)[n-]1 ZINC000519846778 504361567 /nfs/dbraw/zinc/36/15/67/504361567.db2.gz CUGYIQVQAFSMEJ-UHFFFAOYSA-N -1 1 354.294 3.462 20 5 FGBDMM O=C(Nc1ccn(-c2ccc(Cl)cc2Cl)n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000557242415 505098213 /nfs/dbraw/zinc/09/82/13/505098213.db2.gz DSMWXGBZSIFIHW-UHFFFAOYSA-N -1 1 366.164 3.090 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CC[C@H]2C[C@H]2C1 ZINC000596509025 506440180 /nfs/dbraw/zinc/44/01/80/506440180.db2.gz GZQACBXSFNEGLN-KBPBESRZSA-N -1 1 373.434 3.242 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000589186976 506475355 /nfs/dbraw/zinc/47/53/55/506475355.db2.gz NQQPGFKPTHAHJP-QWFCFKBJSA-N -1 1 354.406 3.305 20 5 FGBDMM O=C(Nc1ccc(N2CCc3sccc3C2)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604085091 506709416 /nfs/dbraw/zinc/70/94/16/506709416.db2.gz QGPNUWIYYODGJH-UHFFFAOYSA-N -1 1 369.406 3.194 20 5 FGBDMM CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600426416 506950273 /nfs/dbraw/zinc/95/02/73/506950273.db2.gz PVXKREHMCSBCKN-CQSZACIVSA-N -1 1 359.357 3.243 20 5 FGBDMM CCCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000600665674 507054090 /nfs/dbraw/zinc/05/40/90/507054090.db2.gz VDXRRUNQHLKJNJ-UHFFFAOYSA-N -1 1 366.395 3.193 20 5 FGBDMM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610263046 507166749 /nfs/dbraw/zinc/16/67/49/507166749.db2.gz KNIBJSFFKXWIJV-LLVKDONJSA-N -1 1 367.452 3.141 20 5 FGBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000753062921 601781996 /nfs/dbraw/zinc/78/19/96/601781996.db2.gz VKJBVXGXPAWOQJ-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM COc1cc(OC)cc([C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000832051765 602168455 /nfs/dbraw/zinc/16/84/55/602168455.db2.gz XSJXBYWPKIEETE-APPDUMDISA-N -1 1 360.366 3.089 20 5 FGBDMM Cc1ccnc(NC[C@@H]2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)C2)c1 ZINC000832984489 602316522 /nfs/dbraw/zinc/31/65/22/602316522.db2.gz UGJNNTHRJNHPMY-AWEZNQCLSA-N -1 1 370.409 3.243 20 5 FGBDMM CCOc1cccc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000194547371 713525560 /nfs/dbraw/zinc/52/55/60/713525560.db2.gz KUSOSYDJSZQEBI-NSHDSACASA-N -1 1 368.386 3.172 20 5 FGBDMM O=C(Nc1nc2cc3c(cc2s1)OC(F)(F)O3)c1ccc([N+](=O)[O-])[n-]1 ZINC000521854047 714152096 /nfs/dbraw/zinc/15/20/96/714152096.db2.gz RTSDSXSCNMGRDP-UHFFFAOYSA-N -1 1 368.277 3.106 20 5 FGBDMM C[C@](CC(=O)[O-])(C(=O)Nc1ccc([N+](=O)[O-])cc1O)C1CCCCC1 ZINC000522621409 714196383 /nfs/dbraw/zinc/19/63/83/714196383.db2.gz YKROZMGSFIRXOO-QGZVFWFLSA-N -1 1 350.371 3.300 20 5 FGBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000779460163 724415216 /nfs/dbraw/zinc/41/52/16/724415216.db2.gz LCSXYBNCBCJASF-UHFFFAOYSA-N -1 1 366.733 3.018 20 5 FGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nnc(-c2cccs2)o1 ZINC000780074049 724445396 /nfs/dbraw/zinc/44/53/96/724445396.db2.gz BMXOJFXBWGCAJA-MRVPVSSYSA-N -1 1 361.335 3.330 20 5 FGBDMM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000725832153 722424286 /nfs/dbraw/zinc/42/42/86/722424286.db2.gz CKEDHURCRRKDBY-UHFFFAOYSA-N -1 1 366.414 3.298 20 5 FGBDMM CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000729486940 722460023 /nfs/dbraw/zinc/46/00/23/722460023.db2.gz OPCDIUBIDMQLMN-ZDUSSCGKSA-N -1 1 369.830 3.463 20 5 FGBDMM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000732226827 722482750 /nfs/dbraw/zinc/48/27/50/722482750.db2.gz BQUOAJVVFZVSRS-MGPLVRAMSA-N -1 1 366.826 3.460 20 5 FGBDMM O=C([N-]c1nc(C2CC2)no1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000734877381 722510870 /nfs/dbraw/zinc/51/08/70/722510870.db2.gz YVTSKJCKSARWNB-UHFFFAOYSA-N -1 1 357.351 3.231 20 5 FGBDMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)ccc2O1 ZINC000753362809 722895704 /nfs/dbraw/zinc/89/57/04/722895704.db2.gz XEDMYWCICLTALF-UHFFFAOYSA-N -1 1 366.370 3.248 20 5 FGBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000800928271 724249459 /nfs/dbraw/zinc/24/94/59/724249459.db2.gz KYKISARXVUXCFO-UHFFFAOYSA-N -1 1 353.356 3.144 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2CCSCC2)c(Cl)cc1Cl ZINC000809813769 725270268 /nfs/dbraw/zinc/27/02/68/725270268.db2.gz OZYCSAPKIMBWHK-UHFFFAOYSA-N -1 1 371.267 3.076 20 5 FGBDMM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809829814 725271713 /nfs/dbraw/zinc/27/17/13/725271713.db2.gz NHBCVGDFSZKYNX-SECBINFHSA-N -1 1 373.793 3.130 20 5 FGBDMM Cc1cccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])c1 ZINC000814985440 727017335 /nfs/dbraw/zinc/01/73/35/727017335.db2.gz GTHZRJBHFACWMB-UHFFFAOYSA-N -1 1 358.778 3.174 20 5 FGBDMM CC[C@@H](CSC)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831033330 729611990 /nfs/dbraw/zinc/61/19/90/729611990.db2.gz SPEAVBJXSXFVDK-ZETCQYMHSA-N -1 1 373.283 3.322 20 5 FGBDMM CC1(C)SC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831420561 729640892 /nfs/dbraw/zinc/64/08/92/729640892.db2.gz AGSLBEPEIZATAZ-MRVPVSSYSA-N -1 1 371.267 3.074 20 5 FGBDMM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831420562 729641029 /nfs/dbraw/zinc/64/10/29/729641029.db2.gz AGSLBEPEIZATAZ-QMMMGPOBSA-N -1 1 371.267 3.074 20 5 FGBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000832148127 729692847 /nfs/dbraw/zinc/69/28/47/729692847.db2.gz LJWYZJKOIIRZRV-JTQLQIEISA-N -1 1 373.645 3.110 20 5 FGBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CS1 ZINC000841559508 730256129 /nfs/dbraw/zinc/25/61/29/730256129.db2.gz MDRYQIGECUQWLB-BQBZGAKWSA-N -1 1 371.267 3.074 20 5 FGBDMM C[C@]1(C(=O)[O-])CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000901700127 743622629 /nfs/dbraw/zinc/62/26/29/743622629.db2.gz QJVXTJLEAHNCOA-AWEZNQCLSA-N -1 1 357.204 3.044 20 5 FGBDMM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000904399852 743952291 /nfs/dbraw/zinc/95/22/91/743952291.db2.gz BAPDYGDFHOOBLU-MRXNPFEDSA-N -1 1 358.341 3.273 20 5 FGBDMM CN(C)[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ccsc1 ZINC000914571085 757801274 /nfs/dbraw/zinc/80/12/74/757801274.db2.gz KNECGPNWIZOIJT-NBUZRDOWSA-N -1 1 361.423 3.469 20 5 FGBDMM O=C([O-])C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923241556 759088316 /nfs/dbraw/zinc/08/83/16/759088316.db2.gz QIISAFYMXAMMOY-NSHDSACASA-N -1 1 371.231 3.434 20 5 FGBDMM O=C([O-])c1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000570818066 505587892 /nfs/dbraw/zinc/58/78/92/505587892.db2.gz HXXHTEDYGNMDQO-UHFFFAOYSA-N -1 1 374.368 3.476 20 5 FGBDMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000054420829 494234223 /nfs/dbraw/zinc/23/42/23/494234223.db2.gz PCDPQFDLBKBEHQ-UHFFFAOYSA-N -1 1 358.354 3.429 20 5 FGBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Br)ccc1[O-] ZINC000043840082 494324051 /nfs/dbraw/zinc/32/40/51/494324051.db2.gz WVBGMDYBRWXAPS-UHFFFAOYSA-N -1 1 365.183 3.335 20 5 FGBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccccn3)s2)c1 ZINC000046759187 494562194 /nfs/dbraw/zinc/56/21/94/494562194.db2.gz JOVIDBCJHBVRIE-UHFFFAOYSA-N -1 1 373.419 3.483 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c(Cl)c1 ZINC000047521614 494726189 /nfs/dbraw/zinc/72/61/89/494726189.db2.gz WJXZLBRQCMWKBK-UHFFFAOYSA-N -1 1 366.704 3.466 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-c2nccn2C)c1 ZINC000108638832 494753001 /nfs/dbraw/zinc/75/30/01/494753001.db2.gz SQNCAEAAZSBNQI-UHFFFAOYSA-N -1 1 372.406 3.105 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc12 ZINC000093909482 494933944 /nfs/dbraw/zinc/93/39/44/494933944.db2.gz UOGNBNYCDKOLDT-UHFFFAOYSA-N -1 1 366.786 3.234 20 5 FGBDMM CCOCc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000102320511 495129076 /nfs/dbraw/zinc/12/90/76/495129076.db2.gz BBHMESMRGZYVPD-UHFFFAOYSA-N -1 1 350.396 3.241 20 5 FGBDMM Cc1cnc([C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C2CC2)s1 ZINC000124668795 495325066 /nfs/dbraw/zinc/32/50/66/495325066.db2.gz JQLYAYJVOJPYIQ-GFCCVEGCSA-N -1 1 373.481 3.159 20 5 FGBDMM CCOc1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cc(Cl)c1[O-] ZINC000186682006 496105479 /nfs/dbraw/zinc/10/54/79/496105479.db2.gz VJACQKPXDWVCMP-UHFFFAOYSA-N -1 1 364.785 3.325 20 5 FGBDMM CC(C)Oc1ccccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000156582863 496285835 /nfs/dbraw/zinc/28/58/35/496285835.db2.gz LJHYRAMXWJGYEO-UHFFFAOYSA-N -1 1 364.423 3.366 20 5 FGBDMM COc1ccccc1[C@H](CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)N(C)C ZINC000571884962 505838205 /nfs/dbraw/zinc/83/82/05/505838205.db2.gz ZCQHHERVUQSJAO-INIZCTEOSA-N -1 1 373.409 3.325 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2ncc[nH]2)cc1 ZINC000178189965 496362937 /nfs/dbraw/zinc/36/29/37/496362937.db2.gz PLCGZVHNCSCUIN-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc([N+](=O)[O-])cc2Cl)[n-]c1=O ZINC000193266637 497337369 /nfs/dbraw/zinc/33/73/69/497337369.db2.gz QEVQRYQSENEQBO-RMKNXTFCSA-N -1 1 363.757 3.069 20 5 FGBDMM Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])c(Cl)c1 ZINC000325054800 498833055 /nfs/dbraw/zinc/83/30/55/498833055.db2.gz UZIHZGNKPVISFG-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@](F)(c2ccccc2Cl)C1 ZINC000367306684 499177586 /nfs/dbraw/zinc/17/75/86/499177586.db2.gz ZORYOUCIYTWNES-INIZCTEOSA-N -1 1 365.748 3.060 20 5 FGBDMM CCSCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000437708750 500685003 /nfs/dbraw/zinc/68/50/03/500685003.db2.gz JIYXZMBAEJQWLU-VIFPVBQESA-N -1 1 352.865 3.058 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)n[nH]2)c([N+](=O)[O-])c1 ZINC000434969265 500917458 /nfs/dbraw/zinc/91/74/58/500917458.db2.gz PXHDXEPLUJOVSE-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1C ZINC000434973759 500918016 /nfs/dbraw/zinc/91/80/16/500918016.db2.gz OPHLPOPEMTXQJV-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM O=C(NCCc1cccc(-c2ccccc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444965745 500926773 /nfs/dbraw/zinc/92/67/73/500926773.db2.gz MCMUZAHRYFXKAK-UHFFFAOYSA-N -1 1 363.373 3.335 20 5 FGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000445013678 500932955 /nfs/dbraw/zinc/93/29/55/500932955.db2.gz VJQLLYQNAAKKJM-QMMMGPOBSA-N -1 1 355.272 3.205 20 5 FGBDMM O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccc([O-])c(F)c4)no3)cn2)cc1 ZINC000445480344 500993394 /nfs/dbraw/zinc/99/33/94/500993394.db2.gz ILBBZHKENGBKMK-UHFFFAOYSA-N -1 1 367.296 3.342 20 5 FGBDMM COc1cccc(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)c1[N+](=O)[O-] ZINC000436035692 501061113 /nfs/dbraw/zinc/06/11/13/501061113.db2.gz GYKLEOWHDLMCHT-UHFFFAOYSA-N -1 1 350.277 3.337 20 5 FGBDMM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)[nH]n2)o1 ZINC000446643030 501146438 /nfs/dbraw/zinc/14/64/38/501146438.db2.gz DTVBEMLJCBGMKI-UHFFFAOYSA-N -1 1 368.396 3.057 20 5 FGBDMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452853597 501574676 /nfs/dbraw/zinc/57/46/76/501574676.db2.gz OGGJOMSABYPFMT-ZDUSSCGKSA-N -1 1 372.450 3.067 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)c([N+](=O)[O-])c1 ZINC000481872743 501904874 /nfs/dbraw/zinc/90/48/74/501904874.db2.gz VFJKUIWGGDXYST-UHFFFAOYSA-N -1 1 368.798 3.292 20 5 FGBDMM O=C([N-]c1nc2cc(Cl)ccn2n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000464648826 502054793 /nfs/dbraw/zinc/05/47/93/502054793.db2.gz ORSJVUOPXIDIAB-UHFFFAOYSA-N -1 1 352.137 3.197 20 5 FGBDMM CN(CCOc1ccccc1C(C)(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000482857763 502200013 /nfs/dbraw/zinc/20/00/13/502200013.db2.gz NOUPFYXGXIJRQJ-UHFFFAOYSA-N -1 1 373.409 3.144 20 5 FGBDMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3cc([O-])cc([N+](=O)[O-])c3)[nH]c2c1 ZINC000506178171 503063605 /nfs/dbraw/zinc/06/36/05/503063605.db2.gz OXFSFFNCUAKDQG-QGZVFWFLSA-N -1 1 366.377 3.462 20 5 FGBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000502399286 503192958 /nfs/dbraw/zinc/19/29/58/503192958.db2.gz NSSABXMFFGBISU-UHFFFAOYSA-N -1 1 366.733 3.018 20 5 FGBDMM CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(OC)cc2C)cc1[N+](=O)[O-] ZINC000518374818 503966780 /nfs/dbraw/zinc/96/67/80/503966780.db2.gz JEUQSNWWFMDBDC-UHFFFAOYSA-N -1 1 368.386 3.414 20 5 FGBDMM Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c(Cl)c1 ZINC000548555761 504482222 /nfs/dbraw/zinc/48/22/22/504482222.db2.gz BFVMURFVMLCHQH-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C(=O)[O-] ZINC000521043819 504636306 /nfs/dbraw/zinc/63/63/06/504636306.db2.gz KQHWYQXQARIIAB-NHYWBVRUSA-N -1 1 361.423 3.261 20 5 FGBDMM Cc1[nH]ncc1C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000565835260 505002062 /nfs/dbraw/zinc/00/20/62/505002062.db2.gz FJWNGKHHIACOES-UHFFFAOYSA-N -1 1 364.789 3.005 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000560683441 505159942 /nfs/dbraw/zinc/15/99/42/505159942.db2.gz NUFYGELTPZEAPC-UHFFFAOYSA-N -1 1 370.789 3.355 20 5 FGBDMM CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1[O-] ZINC000552286591 505451147 /nfs/dbraw/zinc/45/11/47/505451147.db2.gz UGUSEZHTWRDTHN-UHFFFAOYSA-N -1 1 351.318 3.304 20 5 FGBDMM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000564971940 505564672 /nfs/dbraw/zinc/56/46/72/505564672.db2.gz DPPVACOGYSSEME-UHFFFAOYSA-N -1 1 365.411 3.063 20 5 FGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1 ZINC000604036975 506694261 /nfs/dbraw/zinc/69/42/61/506694261.db2.gz QMQYYALZJHFEQC-ZDUSSCGKSA-N -1 1 360.313 3.177 20 5 FGBDMM O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000608883215 506736653 /nfs/dbraw/zinc/73/66/53/506736653.db2.gz YCDNAYGLUIEKDM-UHFFFAOYSA-N -1 1 367.243 3.244 20 5 FGBDMM CC(C)c1ccccc1OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609545302 506917568 /nfs/dbraw/zinc/91/75/68/506917568.db2.gz BVMCTBIQEXZQJZ-UHFFFAOYSA-N -1 1 370.452 3.137 20 5 FGBDMM C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1C(=O)[O-] ZINC000600798996 507127532 /nfs/dbraw/zinc/12/75/32/507127532.db2.gz CTBGXGBSQYNNCR-ABAIWWIYSA-N -1 1 361.423 3.261 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[nH]nc1C(C)C ZINC000598734384 507573353 /nfs/dbraw/zinc/57/33/53/507573353.db2.gz HMCYEHQILIFEMU-UHFFFAOYSA-N -1 1 352.416 3.167 20 5 FGBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)c(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000823652306 599337072 /nfs/dbraw/zinc/33/70/72/599337072.db2.gz ZJCQGFKDPJDZOV-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)c(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000823652306 599337073 /nfs/dbraw/zinc/33/70/73/599337073.db2.gz ZJCQGFKDPJDZOV-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(CCc1ccc([N+](=O)[O-])cc1)CC3 ZINC000740189134 599794933 /nfs/dbraw/zinc/79/49/33/599794933.db2.gz GEGFZMXMQWUPAE-UHFFFAOYSA-N -1 1 365.389 3.375 20 5 FGBDMM COc1ccc([C@H](NCc2cc([N+](=O)[O-])ccc2OC(C)C)C(=O)[O-])cc1 ZINC000737970716 599857060 /nfs/dbraw/zinc/85/70/60/599857060.db2.gz NTGHLWOUKKUMFR-SFHVURJKSA-N -1 1 374.393 3.306 20 5 FGBDMM C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000047670816 695866033 /nfs/dbraw/zinc/86/60/33/695866033.db2.gz ZJOWFSORXTWQPY-LBPRGKRZSA-N -1 1 352.387 3.034 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)ccc1Cl ZINC000126819410 700753398 /nfs/dbraw/zinc/75/33/98/700753398.db2.gz OTRFWKACANYYES-UHFFFAOYSA-N -1 1 370.818 3.430 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000175413189 705546286 /nfs/dbraw/zinc/54/62/86/705546286.db2.gz YANVSGGDUYSFMQ-VXGBXAGGSA-N -1 1 352.387 3.204 20 5 FGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccc([N+](=O)[O-])s1 ZINC000193143846 712882962 /nfs/dbraw/zinc/88/29/62/712882962.db2.gz PXALBMCWDYEICK-UHFFFAOYSA-N -1 1 359.266 3.418 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000193205583 712884997 /nfs/dbraw/zinc/88/49/97/712884997.db2.gz ISPQDIXDUOUDLU-UHFFFAOYSA-N -1 1 353.237 3.042 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1Cl ZINC000194334004 713518850 /nfs/dbraw/zinc/51/88/50/713518850.db2.gz HKAAOJUERGFMEU-SECBINFHSA-N -1 1 358.778 3.427 20 5 FGBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000779811257 724428551 /nfs/dbraw/zinc/42/85/51/724428551.db2.gz NUGZLWMQLBWKPT-UHFFFAOYSA-N -1 1 366.733 3.018 20 5 FGBDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)OCO2 ZINC000781114539 724529120 /nfs/dbraw/zinc/52/91/20/724529120.db2.gz RYSFDWNHPQPQBH-UHFFFAOYSA-N -1 1 364.379 3.050 20 5 FGBDMM CCOc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000725824785 722423706 /nfs/dbraw/zinc/42/37/06/722423706.db2.gz GZIPZSIPZMHTPH-UHFFFAOYSA-N -1 1 370.814 3.125 20 5 FGBDMM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1nc(Cl)ccc1[O-] ZINC000789932129 723086128 /nfs/dbraw/zinc/08/61/28/723086128.db2.gz RLGBXMHLRAWQNX-UHFFFAOYSA-N -1 1 350.762 3.180 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H](C)CC(F)(F)F)c1 ZINC000766567129 723581269 /nfs/dbraw/zinc/58/12/69/723581269.db2.gz WMSQBBQSHQBNMC-SSDOTTSWSA-N -1 1 360.741 3.176 20 5 FGBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C(F)(F)F ZINC000767603975 723625397 /nfs/dbraw/zinc/62/53/97/723625397.db2.gz ITBOYLHZKPMVEG-MADCSZMMSA-N -1 1 372.340 3.298 20 5 FGBDMM CCOc1ccccc1[C@H](CC)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768839052 723668979 /nfs/dbraw/zinc/66/89/79/723668979.db2.gz MJEWDHMJMZROFA-ZDUSSCGKSA-N -1 1 370.452 3.485 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1Cl ZINC000798247356 723918305 /nfs/dbraw/zinc/91/83/05/723918305.db2.gz UMIQVCMVYZQKPN-UHFFFAOYSA-N -1 1 366.704 3.466 20 5 FGBDMM CC(C)(C)c1nsc([N-]C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)n1 ZINC000778256646 724315771 /nfs/dbraw/zinc/31/57/71/724315771.db2.gz LIYDIPDWBFYACP-UHFFFAOYSA-N -1 1 364.412 3.001 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(C3CC3)CC2)c(Cl)cc1Cl ZINC000809826941 725271395 /nfs/dbraw/zinc/27/13/95/725271395.db2.gz WJPVEIGRZJBDNW-UHFFFAOYSA-N -1 1 351.211 3.123 20 5 FGBDMM Cc1ccc([C@H](C)OC(=O)c2sccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000822231095 729155663 /nfs/dbraw/zinc/15/56/63/729155663.db2.gz ZMQUTSBWBLKINP-VIFPVBQESA-N -1 1 359.367 3.063 20 5 FGBDMM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000828381818 729442952 /nfs/dbraw/zinc/44/29/52/729442952.db2.gz QCVHPIFYIYQYDU-HTRCEHHLSA-N -1 1 371.267 3.074 20 5 FGBDMM C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000828383010 729442973 /nfs/dbraw/zinc/44/29/73/729442973.db2.gz ZMAKGLDNCVNWDX-MUWHJKNJSA-N -1 1 371.267 3.074 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n[nH]c1-c1ccccc1 ZINC000540208855 503709643 /nfs/dbraw/zinc/70/96/43/503709643.db2.gz XGMPOKKSUZFDKM-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000061637046 493988345 /nfs/dbraw/zinc/98/83/45/493988345.db2.gz NVFQTLSJPXLHJH-UHFFFAOYSA-N -1 1 373.434 3.102 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCOc3c(Cl)cccc32)s1 ZINC000066333924 494314219 /nfs/dbraw/zinc/31/42/19/494314219.db2.gz ISVPOSJPCDZWEX-SNVBAGLBSA-N -1 1 374.827 3.112 20 5 FGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(-c3ccccc3)s2)c1 ZINC000067540205 494562048 /nfs/dbraw/zinc/56/20/48/494562048.db2.gz AAEZGHUBXKTLGZ-UHFFFAOYSA-N -1 1 356.363 3.374 20 5 FGBDMM O=C(c1cc(Br)ccc1[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC000122065335 494918056 /nfs/dbraw/zinc/91/80/56/494918056.db2.gz OYVHEJMHEPVLLS-UHFFFAOYSA-N -1 1 363.167 3.266 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c(Cl)c1 ZINC000105389830 495361722 /nfs/dbraw/zinc/36/17/22/495361722.db2.gz BZTFOXTTYBIGEC-UHFFFAOYSA-N -1 1 366.704 3.466 20 5 FGBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c([O-])c1 ZINC000138122848 495456137 /nfs/dbraw/zinc/45/61/37/495456137.db2.gz NOXMQCVJNBQTFO-UHFFFAOYSA-N -1 1 365.183 3.035 20 5 FGBDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])on1 ZINC000173492611 495556035 /nfs/dbraw/zinc/55/60/35/495556035.db2.gz VHTZZAMDPDOFNV-UHFFFAOYSA-N -1 1 367.427 3.273 20 5 FGBDMM C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146534974 495567081 /nfs/dbraw/zinc/56/70/81/495567081.db2.gz YMRUNAGTCHCBDD-SNVBAGLBSA-N -1 1 358.803 3.141 20 5 FGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)[nH]n1 ZINC000159870013 495829434 /nfs/dbraw/zinc/82/94/34/495829434.db2.gz UAADJEAXHUTDNS-SNVBAGLBSA-N -1 1 368.415 3.031 20 5 FGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 ZINC000159886447 495832855 /nfs/dbraw/zinc/83/28/55/495832855.db2.gz LSIHNMRREFALDE-VIFPVBQESA-N -1 1 356.379 3.161 20 5 FGBDMM CC(C)Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000180856892 496172960 /nfs/dbraw/zinc/17/29/60/496172960.db2.gz LIRAMKOWLREURB-UHFFFAOYSA-N -1 1 372.353 3.499 20 5 FGBDMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])cc3[O-])[nH]c2c1 ZINC000184306289 496328420 /nfs/dbraw/zinc/32/84/20/496328420.db2.gz SZUKTLUEXNKIKD-MRXNPFEDSA-N -1 1 366.377 3.462 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1F ZINC000188581331 496839820 /nfs/dbraw/zinc/83/98/20/496839820.db2.gz HMPJAGXZPZHQCJ-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM COc1c(F)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1F ZINC000191791560 496890937 /nfs/dbraw/zinc/89/09/37/496890937.db2.gz JCEVLIDNTWPHAD-UHFFFAOYSA-N -1 1 372.349 3.299 20 5 FGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000193662057 497440853 /nfs/dbraw/zinc/44/08/53/497440853.db2.gz BXXATRXXNNINBZ-GFCCVEGCSA-N -1 1 364.361 3.248 20 5 FGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000193684460 497446761 /nfs/dbraw/zinc/44/67/61/497446761.db2.gz ZKINEWYWWUJJSJ-QMMMGPOBSA-N -1 1 371.271 3.085 20 5 FGBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295721322 499088373 /nfs/dbraw/zinc/08/83/73/499088373.db2.gz QNBTZYKRTWNWSV-JTQLQIEISA-N -1 1 358.398 3.187 20 5 FGBDMM CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000425327402 500076213 /nfs/dbraw/zinc/07/62/13/500076213.db2.gz NITYPJFYLIOEFK-HNNXBMFYSA-N -1 1 361.373 3.174 20 5 FGBDMM COc1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000446144219 501082453 /nfs/dbraw/zinc/08/24/53/501082453.db2.gz BZLXOMCNBAWJTD-UHFFFAOYSA-N -1 1 354.244 3.266 20 5 FGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1 ZINC000470572260 501731417 /nfs/dbraw/zinc/73/14/17/501731417.db2.gz AJWILNYIHGCUAC-SNVBAGLBSA-N -1 1 352.416 3.331 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000474417775 501828422 /nfs/dbraw/zinc/82/84/22/501828422.db2.gz UIYJZQYLGQFNRS-UHFFFAOYSA-N -1 1 364.427 3.475 20 5 FGBDMM O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000483034305 502251746 /nfs/dbraw/zinc/25/17/46/502251746.db2.gz AXHUILNGOBJQNI-UHFFFAOYSA-N -1 1 365.748 3.106 20 5 FGBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000488247627 502668710 /nfs/dbraw/zinc/66/87/10/502668710.db2.gz BJGBTFXGOHHGIA-UHFFFAOYSA-N -1 1 372.399 3.265 20 5 FGBDMM CCCc1nnc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])s1 ZINC000599143716 506343236 /nfs/dbraw/zinc/34/32/36/506343236.db2.gz VSAWITYCVXNMQZ-UHFFFAOYSA-N -1 1 371.216 3.414 20 5 FGBDMM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000509708296 502972575 /nfs/dbraw/zinc/97/25/75/502972575.db2.gz NUNKTHGJFFVOBQ-UHFFFAOYSA-N -1 1 354.453 3.221 20 5 FGBDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000507023081 503215281 /nfs/dbraw/zinc/21/52/81/503215281.db2.gz SKJGWFNDMJUIEW-UHFFFAOYSA-N -1 1 350.396 3.493 20 5 FGBDMM O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000515532119 503360276 /nfs/dbraw/zinc/36/02/76/503360276.db2.gz VUVUSIJMFYXXJU-UHFFFAOYSA-N -1 1 366.381 3.160 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3nc4ccccc4n3C(F)F)no2)[n-]1 ZINC000546329357 503713974 /nfs/dbraw/zinc/71/39/74/503713974.db2.gz KEAFQDITRAGJLV-UHFFFAOYSA-N -1 1 360.280 3.309 20 5 FGBDMM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000536906585 503757033 /nfs/dbraw/zinc/75/70/33/503757033.db2.gz UCIQKUXSWHVCKE-SNVBAGLBSA-N -1 1 369.830 3.245 20 5 FGBDMM Cc1nc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[n-]c(=O)c1C ZINC000540716175 503867836 /nfs/dbraw/zinc/86/78/36/503867836.db2.gz BAYCYJKIUKQPPQ-NSHDSACASA-N -1 1 362.411 3.135 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)ccc1[N+](=O)[O-] ZINC000538755226 504358472 /nfs/dbraw/zinc/35/84/72/504358472.db2.gz GQAITVUCDHHIHH-UHFFFAOYSA-N -1 1 362.407 3.418 20 5 FGBDMM CCOC(=O)c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c([O-])c1 ZINC000538870744 504399906 /nfs/dbraw/zinc/39/99/06/504399906.db2.gz XEIFDLOSAUHPSM-UHFFFAOYSA-N -1 1 369.333 3.211 20 5 FGBDMM Cc1ccsc1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000539115028 504479324 /nfs/dbraw/zinc/47/93/24/504479324.db2.gz QNYGWTPMSMEHBB-UHFFFAOYSA-N -1 1 360.844 3.139 20 5 FGBDMM O=C([N-]c1c(F)cc(Br)cc1F)c1ccc([N+](=O)[O-])cn1 ZINC000532138776 504547740 /nfs/dbraw/zinc/54/77/40/504547740.db2.gz MWRBVUXGCUWOPD-UHFFFAOYSA-N -1 1 358.098 3.283 20 5 FGBDMM Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000520723285 504565803 /nfs/dbraw/zinc/56/58/03/504565803.db2.gz OBHTWCPRBANUMX-ZDUSSCGKSA-N -1 1 370.409 3.498 20 5 FGBDMM CCOc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1C ZINC000555974334 504774914 /nfs/dbraw/zinc/77/49/14/504774914.db2.gz OTQLUCJIICUEBW-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM O=c1[n-]nc(C2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)o1 ZINC000558606793 505437661 /nfs/dbraw/zinc/43/76/61/505437661.db2.gz LAVNUSUDSBYNCC-UHFFFAOYSA-N -1 1 359.169 3.374 20 5 FGBDMM CC[C@H](OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000593627349 506708273 /nfs/dbraw/zinc/70/82/73/506708273.db2.gz QQLVCBVIAOPBSQ-ZDUSSCGKSA-N -1 1 370.452 3.103 20 5 FGBDMM CC(C)n1cc(C2=CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2)nn1 ZINC000590659204 506899449 /nfs/dbraw/zinc/89/94/49/506899449.db2.gz WZWCICSGYRPCSI-UHFFFAOYSA-N -1 1 357.414 3.152 20 5 FGBDMM C[C@@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609543508 506916416 /nfs/dbraw/zinc/91/64/16/506916416.db2.gz PBNLRHQYUGCJEJ-MEBBXXQBSA-N -1 1 366.826 3.460 20 5 FGBDMM Cc1[n-][nH]c(=NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1Br ZINC000597731907 507079879 /nfs/dbraw/zinc/07/98/79/507079879.db2.gz RBUNOHSCKLENPE-UHFFFAOYSA-N -1 1 367.203 3.186 20 5 FGBDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[nH]n1 ZINC000610317361 507189954 /nfs/dbraw/zinc/18/99/54/507189954.db2.gz FBWYSXDBUJAFJY-UHFFFAOYSA-N -1 1 358.807 3.070 20 5 FGBDMM O=C(Nc1c([O-])cccc1F)c1ccc([N+](=O)[O-])cc1Br ZINC000610339862 507200441 /nfs/dbraw/zinc/20/04/41/507200441.db2.gz XSUJBHRRVFPSQS-UHFFFAOYSA-N -1 1 355.119 3.454 20 5 FGBDMM COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598713574 507564973 /nfs/dbraw/zinc/56/49/73/507564973.db2.gz NRVUPPOKLPBNLG-UHFFFAOYSA-N -1 1 364.423 3.201 20 5 FGBDMM COc1ccc([C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737968545 600215861 /nfs/dbraw/zinc/21/58/61/600215861.db2.gz HDKQGATXRBKFSU-OAHLLOKOSA-N -1 1 350.758 3.172 20 5 FGBDMM CN(C)[C@H](CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000830584868 602250600 /nfs/dbraw/zinc/25/06/00/602250600.db2.gz FGTYRZQVXNTLBG-CYBMUJFWSA-N -1 1 353.762 3.254 20 5 FGBDMM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000740514705 602378525 /nfs/dbraw/zinc/37/85/25/602378525.db2.gz DWYVKYWNDOGATB-DOMZBBRYSA-N -1 1 351.378 3.088 20 5 FGBDMM O=C([O-])N1CCC2(CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000834092829 605901544 /nfs/dbraw/zinc/90/15/44/605901544.db2.gz ZSMWRNAEQGBBPB-UHFFFAOYSA-N -1 1 353.806 3.214 20 5 FGBDMM C[C@H](OCCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000820519991 606644634 /nfs/dbraw/zinc/64/46/34/606644634.db2.gz YGXFEASCGGXWRI-ZDUSSCGKSA-N -1 1 368.397 3.355 20 5 FGBDMM COc1ccc(C)cc1[C@@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821782158 606644986 /nfs/dbraw/zinc/64/49/86/606644986.db2.gz AYQCXUBJDQCSFC-LLVKDONJSA-N -1 1 354.370 3.265 20 5 FGBDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000130676531 700804882 /nfs/dbraw/zinc/80/48/82/700804882.db2.gz DWJOCFDVDUJVQS-UHFFFAOYSA-N -1 1 370.814 3.158 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCCC(F)(F)F)c1 ZINC000779905334 724434169 /nfs/dbraw/zinc/43/41/69/724434169.db2.gz UDONDSMIYRZSLQ-UHFFFAOYSA-N -1 1 360.741 3.177 20 5 FGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1cc(F)ccc1F ZINC000780071379 724445142 /nfs/dbraw/zinc/44/51/42/724445142.db2.gz GKUOXCDDEWCRDT-MRVPVSSYSA-N -1 1 351.261 3.007 20 5 FGBDMM CCCCCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000727758319 722447234 /nfs/dbraw/zinc/44/72/34/722447234.db2.gz ICHBQNLAOHFSSJ-UHFFFAOYSA-N -1 1 365.249 3.216 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000728060874 722449852 /nfs/dbraw/zinc/44/98/52/722449852.db2.gz WEKBLXGMYYVFOR-GFCCVEGCSA-N -1 1 366.414 3.379 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N(C)C)c(Cl)c1 ZINC000731783556 722478075 /nfs/dbraw/zinc/47/80/75/722478075.db2.gz OTRHAOIFUZVEJX-UHFFFAOYSA-N -1 1 369.830 3.423 20 5 FGBDMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000748657425 722700582 /nfs/dbraw/zinc/70/05/82/722700582.db2.gz TXYUMTXTUPSCOQ-PWSUYJOCSA-N -1 1 364.876 3.201 20 5 FGBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000752196080 722848502 /nfs/dbraw/zinc/84/85/02/722848502.db2.gz ROFROAADAZWFKO-UHFFFAOYSA-N -1 1 372.834 3.378 20 5 FGBDMM C[C@@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000762543857 723253482 /nfs/dbraw/zinc/25/34/82/723253482.db2.gz WQNMPDLFNYERRL-BDJLRTHQSA-N -1 1 364.398 3.336 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1cccc(O)c1 ZINC000795858074 723611884 /nfs/dbraw/zinc/61/18/84/723611884.db2.gz YLVODCOZFMMAGZ-MRVPVSSYSA-N -1 1 374.777 3.132 20 5 FGBDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c(Cl)c3)ccc2O1 ZINC000768881717 723670827 /nfs/dbraw/zinc/67/08/27/723670827.db2.gz JGDJABLIPCPZMB-VIFPVBQESA-N -1 1 368.798 3.372 20 5 FGBDMM Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000800928158 724249329 /nfs/dbraw/zinc/24/93/29/724249329.db2.gz JZICUANCJIVMBH-UHFFFAOYSA-N -1 1 361.354 3.391 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)cc1Cl ZINC000809810456 725270092 /nfs/dbraw/zinc/27/00/92/725270092.db2.gz YUFUMICICKWXMO-MFKMUULPSA-N -1 1 370.789 3.222 20 5 FGBDMM CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809843079 725272593 /nfs/dbraw/zinc/27/25/93/725272593.db2.gz JZVRIAVOVKKHFW-JTQLQIEISA-N -1 1 371.267 3.074 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C1CC1 ZINC000814278609 726952987 /nfs/dbraw/zinc/95/29/87/726952987.db2.gz XNKDQBZBTVNTGK-AWEZNQCLSA-N -1 1 364.398 3.206 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCSC2)c1Cl ZINC000830787315 729593733 /nfs/dbraw/zinc/59/37/33/729593733.db2.gz SZLQDKHANLRHES-ZETCQYMHSA-N -1 1 371.267 3.076 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000058246368 221111334 /nfs/dbraw/zinc/11/13/34/221111334.db2.gz LDUOJTSCHJOMNR-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1Br ZINC000035347040 494074852 /nfs/dbraw/zinc/07/48/52/494074852.db2.gz INWBRPJGPRRNEZ-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000042084546 494199610 /nfs/dbraw/zinc/19/96/10/494199610.db2.gz IFYLKXVLVJTVMN-UHFFFAOYSA-N -1 1 363.395 3.053 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2Cl)c([N+](=O)[O-])c1 ZINC000075082100 494684232 /nfs/dbraw/zinc/68/42/32/494684232.db2.gz KGGPQVCXLSICCR-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1[N+](=O)[O-] ZINC000568614375 505737232 /nfs/dbraw/zinc/73/72/32/505737232.db2.gz HQBOUOJEVGRWTI-UHFFFAOYSA-N -1 1 358.322 3.342 20 5 FGBDMM CCOc1ccccc1C1=CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000127985678 495026522 /nfs/dbraw/zinc/02/65/22/495026522.db2.gz TYRCFJDHBRAQEN-UHFFFAOYSA-N -1 1 369.377 3.024 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1nc(C)cs1 ZINC000123761478 495181908 /nfs/dbraw/zinc/18/19/08/495181908.db2.gz CXOZHDRNKGPWEB-VIFPVBQESA-N -1 1 361.470 3.159 20 5 FGBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1cc(F)ccc1SCC(F)F ZINC000123762454 495182466 /nfs/dbraw/zinc/18/24/66/495182466.db2.gz WYKAQSXICOJNAT-UHFFFAOYSA-N -1 1 360.317 3.077 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000104760047 495303570 /nfs/dbraw/zinc/30/35/70/495303570.db2.gz FNVLRVKSHKOPSK-NSHDSACASA-N -1 1 355.441 3.098 20 5 FGBDMM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146972809 495570388 /nfs/dbraw/zinc/57/03/88/495570388.db2.gz KXVQLGDSRMHSIO-JTQLQIEISA-N -1 1 372.805 3.297 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1 ZINC000147227002 495573473 /nfs/dbraw/zinc/57/34/73/495573473.db2.gz HSAXMPDYZBAXCP-DGCLKSJQSA-N -1 1 352.799 3.083 20 5 FGBDMM CC(C)c1nnc(-c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2[O-])[nH]1 ZINC000179446682 495595059 /nfs/dbraw/zinc/59/50/59/495595059.db2.gz WQIDAOJBWXGZDM-UHFFFAOYSA-N -1 1 367.365 3.461 20 5 FGBDMM CC[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000185783498 495724085 /nfs/dbraw/zinc/72/40/85/495724085.db2.gz NHXNOTZWVXSAQV-CZUORRHYSA-N -1 1 355.394 3.351 20 5 FGBDMM O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185831038 495741880 /nfs/dbraw/zinc/74/18/80/495741880.db2.gz BHZDUTGWQUOLKT-QGZVFWFLSA-N -1 1 367.336 3.354 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c(C)c1F ZINC000181345297 496360758 /nfs/dbraw/zinc/36/07/58/496360758.db2.gz YFIKMTJZJQXOBW-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2sccc2C(=O)C(C)(C)C)n1 ZINC000191620058 496835255 /nfs/dbraw/zinc/83/52/55/496835255.db2.gz MRBIMGWYQNIFFN-UHFFFAOYSA-N -1 1 350.400 3.354 20 5 FGBDMM COCCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191799451 496893264 /nfs/dbraw/zinc/89/32/64/496893264.db2.gz GZYOOAJZGKXFJL-UHFFFAOYSA-N -1 1 364.423 3.201 20 5 FGBDMM CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193490629 497394219 /nfs/dbraw/zinc/39/42/19/497394219.db2.gz URWAGVCHAUAJGG-CVEARBPZSA-N -1 1 355.394 3.494 20 5 FGBDMM O=c1cc(C(F)(F)F)nc(SCCOc2ccccc2[N+](=O)[O-])[n-]1 ZINC000261390275 497410278 /nfs/dbraw/zinc/41/02/78/497410278.db2.gz FGJVDOUUGKTBIJ-UHFFFAOYSA-N -1 1 361.301 3.280 20 5 FGBDMM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)s1 ZINC000272154669 497550154 /nfs/dbraw/zinc/55/01/54/497550154.db2.gz DVERNEXHTXAXKW-UHFFFAOYSA-N -1 1 358.326 3.253 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1OC ZINC000276684403 497627905 /nfs/dbraw/zinc/62/79/05/497627905.db2.gz VNNFRLISFDCJQK-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2C)c1OC ZINC000277160696 497760819 /nfs/dbraw/zinc/76/08/19/497760819.db2.gz DFNILIJWQUTWPR-MRXNPFEDSA-N -1 1 374.393 3.226 20 5 FGBDMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc([N+](=O)[O-])cc2C)c1OC ZINC000277160681 497761177 /nfs/dbraw/zinc/76/11/77/497761177.db2.gz DFNILIJWQUTWPR-INIZCTEOSA-N -1 1 374.393 3.226 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000285960632 498253448 /nfs/dbraw/zinc/25/34/48/498253448.db2.gz AOGUINHNXQTGKI-OAGGEKHMSA-N -1 1 353.378 3.104 20 5 FGBDMM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cccc1[N+](=O)[O-] ZINC000326370680 498842511 /nfs/dbraw/zinc/84/25/11/498842511.db2.gz FFOGZWIXQBJJEQ-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298975729 498931283 /nfs/dbraw/zinc/93/12/83/498931283.db2.gz MCQVVIUTTSOPJY-UHFFFAOYSA-N -1 1 356.382 3.191 20 5 FGBDMM CC1(C)CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000382582489 499545683 /nfs/dbraw/zinc/54/56/83/499545683.db2.gz NWFBDDDDPMBPKX-UHFFFAOYSA-N -1 1 369.421 3.394 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000416558051 500062227 /nfs/dbraw/zinc/06/22/27/500062227.db2.gz IBYKYCFTBKGTQW-UHFFFAOYSA-N -1 1 368.789 3.350 20 5 FGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000444845363 500910765 /nfs/dbraw/zinc/91/07/65/500910765.db2.gz FAWQGCGZWVVTFL-ZETCQYMHSA-N -1 1 356.165 3.493 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1ccc(F)cc1F ZINC000444984175 500929278 /nfs/dbraw/zinc/92/92/78/500929278.db2.gz JAQLHCMLZFBPFN-AWEZNQCLSA-N -1 1 363.320 3.341 20 5 FGBDMM CC[C@H](C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000445177483 500952187 /nfs/dbraw/zinc/95/21/87/500952187.db2.gz WKFWXVFYBULLET-BONVTDFDSA-N -1 1 369.381 3.089 20 5 FGBDMM CCCC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000445199359 500953917 /nfs/dbraw/zinc/95/39/17/500953917.db2.gz YACYRLMUCFMUPC-HNNXBMFYSA-N -1 1 359.382 3.365 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NC(C)C)cc1 ZINC000451095337 501245169 /nfs/dbraw/zinc/24/51/69/501245169.db2.gz KQFUPGMNPGOYQA-UHFFFAOYSA-N -1 1 365.411 3.225 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000611737638 506278401 /nfs/dbraw/zinc/27/84/01/506278401.db2.gz ZXMJOLIJYXWSKH-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)F)c2)ccc1[N+](=O)[O-] ZINC000471124569 501928427 /nfs/dbraw/zinc/92/84/27/501928427.db2.gz LDDHLDAWNMJBBB-UHFFFAOYSA-N -1 1 372.305 3.031 20 5 FGBDMM O=C(NC1CC(F)(c2cccc(Cl)c2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000482999268 502240801 /nfs/dbraw/zinc/24/08/01/502240801.db2.gz UPSGFKHUKSYGJD-UHFFFAOYSA-N -1 1 365.748 3.106 20 5 FGBDMM Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000476979627 502639997 /nfs/dbraw/zinc/63/99/97/502639997.db2.gz LYIWAAOGWPYLJE-UHFFFAOYSA-N -1 1 354.453 3.264 20 5 FGBDMM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000484800536 502742155 /nfs/dbraw/zinc/74/21/55/502742155.db2.gz WBCSWCHQTOCDKA-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c(Cl)c1 ZINC000588906310 506376181 /nfs/dbraw/zinc/37/61/81/506376181.db2.gz YIHOOPXUZKUJQV-UHFFFAOYSA-N -1 1 354.762 3.104 20 5 FGBDMM CC[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Oc1cccc(C)c1 ZINC000494762827 503606203 /nfs/dbraw/zinc/60/62/03/503606203.db2.gz LMXXVMQWUYGBOM-LBPRGKRZSA-N -1 1 370.452 3.101 20 5 FGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1[N+](=O)[O-] ZINC000544836888 504275051 /nfs/dbraw/zinc/27/50/51/504275051.db2.gz GAEOIOXQKJNJDW-UHFFFAOYSA-N -1 1 372.752 3.320 20 5 FGBDMM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000520030889 504400769 /nfs/dbraw/zinc/40/07/69/504400769.db2.gz CDEQOLAACAHSTI-LBPRGKRZSA-N -1 1 368.842 3.466 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000542930457 504662901 /nfs/dbraw/zinc/66/29/01/504662901.db2.gz PSYCWCVDNOBOMN-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)cc1[N+](=O)[O-] ZINC000589587209 506593337 /nfs/dbraw/zinc/59/33/37/506593337.db2.gz MSECJMJZYXSHQW-UHFFFAOYSA-N -1 1 360.391 3.223 20 5 FGBDMM CC1(C)C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2ccccc21 ZINC000820590046 607306976 /nfs/dbraw/zinc/30/69/76/607306976.db2.gz PRPLHHAEORKQEA-ZDUSSCGKSA-N -1 1 351.370 3.004 20 5 FGBDMM CC1(C)C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c2ccccc21 ZINC000820590046 607306977 /nfs/dbraw/zinc/30/69/77/607306977.db2.gz PRPLHHAEORKQEA-ZDUSSCGKSA-N -1 1 351.370 3.004 20 5 FGBDMM O=[N+]([O-])c1cc(N2CCC[C@H]2CCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000826497979 607452220 /nfs/dbraw/zinc/45/22/20/607452220.db2.gz BMMZMQCSNIAXEX-HNNXBMFYSA-N -1 1 364.409 3.377 20 5 FGBDMM COc1cc(OC)cc([C@@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000832050892 602176231 /nfs/dbraw/zinc/17/62/31/602176231.db2.gz RVXJHFXBNQJELU-KZULUSFZSA-N -1 1 374.393 3.397 20 5 FGBDMM CC[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000820925592 606644686 /nfs/dbraw/zinc/64/46/86/606644686.db2.gz KCEQYPNVGVZBGD-HNNXBMFYSA-N -1 1 354.370 3.347 20 5 FGBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000819983998 606700504 /nfs/dbraw/zinc/70/05/04/606700504.db2.gz LWYXDTDUDSEOBA-UHFFFAOYSA-N -1 1 373.804 3.213 20 5 FGBDMM CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000819983998 606700505 /nfs/dbraw/zinc/70/05/05/606700505.db2.gz LWYXDTDUDSEOBA-UHFFFAOYSA-N -1 1 373.804 3.213 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1F ZINC000119081914 700619328 /nfs/dbraw/zinc/61/93/28/700619328.db2.gz SQKBBHBTWWXGNK-QMMMGPOBSA-N -1 1 360.313 3.052 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1 ZINC000134649057 704828747 /nfs/dbraw/zinc/82/87/47/704828747.db2.gz GYXOCRPGSWUPDW-GFCCVEGCSA-N -1 1 374.846 3.018 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c(C)c1 ZINC000154301226 705029492 /nfs/dbraw/zinc/02/94/92/705029492.db2.gz FUAVUPWUKYCDLE-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM COc1c(C)ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1C ZINC000176056529 705569266 /nfs/dbraw/zinc/56/92/66/705569266.db2.gz AYXGIEJZMMAXQX-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1[N+](=O)[O-] ZINC000192731965 712872271 /nfs/dbraw/zinc/87/22/71/712872271.db2.gz WPLUZUBHOHZDCZ-UHFFFAOYSA-N -1 1 365.367 3.229 20 5 FGBDMM COc1cccc(C(=O)[N-]c2nc(-c3cccs3)ns2)c1[N+](=O)[O-] ZINC000194840469 713537259 /nfs/dbraw/zinc/53/72/59/713537259.db2.gz JNIXRTZMAUJUEP-UHFFFAOYSA-N -1 1 362.392 3.436 20 5 FGBDMM C[C@H]1C[C@H]1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000615490713 714531365 /nfs/dbraw/zinc/53/13/65/714531365.db2.gz XOFXVYUWPWOMNE-STQMWFEESA-N -1 1 361.423 3.464 20 5 FGBDMM Cc1cccc(Cl)c1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071997 724445159 /nfs/dbraw/zinc/44/51/59/724445159.db2.gz NBKFFRJMGCLHRA-UHFFFAOYSA-N -1 1 364.741 3.058 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCSc1ccccc1 ZINC000725819494 722423387 /nfs/dbraw/zinc/42/33/87/722423387.db2.gz UPMAVOUFMGETIB-UHFFFAOYSA-N -1 1 372.855 3.319 20 5 FGBDMM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000726601289 722436437 /nfs/dbraw/zinc/43/64/37/722436437.db2.gz MZDQVHWZTXDPJN-UHFFFAOYSA-N -1 1 364.398 3.052 20 5 FGBDMM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000730021187 722464567 /nfs/dbraw/zinc/46/45/67/722464567.db2.gz ICTVLONJKVSRRC-UHFFFAOYSA-N -1 1 364.398 3.133 20 5 FGBDMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000732218071 722482547 /nfs/dbraw/zinc/48/25/47/722482547.db2.gz KXZIVUOAEIIZOI-UHFFFAOYSA-N -1 1 359.363 3.061 20 5 FGBDMM Cc1cn2cc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2n1 ZINC000739385782 722532837 /nfs/dbraw/zinc/53/28/37/722532837.db2.gz WPUJRROHFWEWTK-UHFFFAOYSA-N -1 1 366.786 3.005 20 5 FGBDMM C[C@@H](O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F ZINC000795379766 723586586 /nfs/dbraw/zinc/58/65/86/723586586.db2.gz JBBMFGSAIPVTDU-MRVPVSSYSA-N -1 1 374.777 3.241 20 5 FGBDMM O=C([N-]c1nnc(CC(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000768294836 723653212 /nfs/dbraw/zinc/65/32/12/723653212.db2.gz FWDRFJHTFDOPGG-UHFFFAOYSA-N -1 1 366.708 3.457 20 5 FGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cnc(-c2ncccn2)s1 ZINC000800149098 724155445 /nfs/dbraw/zinc/15/54/45/724155445.db2.gz HPVCTHWELIEJBF-UHFFFAOYSA-N -1 1 359.342 3.208 20 5 FGBDMM Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)[n-]c(=O)c1C ZINC000776864330 724190539 /nfs/dbraw/zinc/19/05/39/724190539.db2.gz ITLUPPBSSFSFIE-UHFFFAOYSA-N -1 1 368.802 3.091 20 5 FGBDMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000800928113 724249309 /nfs/dbraw/zinc/24/93/09/724249309.db2.gz HQCAEKZMXPMVSU-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000777930275 724272378 /nfs/dbraw/zinc/27/23/78/724272378.db2.gz IDJYEJZVKYHRDV-UHFFFAOYSA-N -1 1 364.358 3.028 20 5 FGBDMM C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000828381834 729442943 /nfs/dbraw/zinc/44/29/43/729442943.db2.gz QCVHPIFYIYQYDU-POYBYMJQSA-N -1 1 371.267 3.074 20 5 FGBDMM C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000828381839 729442958 /nfs/dbraw/zinc/44/29/58/729442958.db2.gz QCVHPIFYIYQYDU-XPUUQOCRSA-N -1 1 371.267 3.074 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cc(C2CC2)ccc1F ZINC000831774186 729666757 /nfs/dbraw/zinc/66/67/57/729666757.db2.gz ZDNRQYYWFNPFOS-UHFFFAOYSA-N -1 1 368.361 3.229 20 5 FGBDMM C[C@@]1(C(=O)[O-])CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000901700128 743622902 /nfs/dbraw/zinc/62/29/02/743622902.db2.gz QJVXTJLEAHNCOA-CQSZACIVSA-N -1 1 357.204 3.044 20 5 FGBDMM C[C@]1(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)CC1(Cl)Cl ZINC000903099987 743804773 /nfs/dbraw/zinc/80/47/73/743804773.db2.gz FDQRJGHNMZCLQB-SNVBAGLBSA-N -1 1 357.190 3.060 20 5 FGBDMM C[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000903904589 743894967 /nfs/dbraw/zinc/89/49/67/743894967.db2.gz LXDCTTKYNWPVNP-RNCFNFMXSA-N -1 1 357.204 3.042 20 5 FGBDMM O=C([O-])c1cnc([C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)s1 ZINC000905748335 744052200 /nfs/dbraw/zinc/05/22/00/744052200.db2.gz FYTHUFCPJVXKQO-VIFPVBQESA-N -1 1 367.814 3.392 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c([N+](=O)[O-])c1 ZINC000071826178 221380273 /nfs/dbraw/zinc/38/02/73/221380273.db2.gz FSRKAHUEVWPMAU-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM CCOC(=O)c1ccnc([N-]c2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC000077935471 494204333 /nfs/dbraw/zinc/20/43/33/494204333.db2.gz SLVWHZLHCOECKX-UHFFFAOYSA-N -1 1 353.338 3.096 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000014349465 494315580 /nfs/dbraw/zinc/31/55/80/494315580.db2.gz XOTQTLLARACJKT-UHFFFAOYSA-N -1 1 364.361 3.106 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000055663347 494384675 /nfs/dbraw/zinc/38/46/75/494384675.db2.gz VLSIUACNQTVRLJ-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000126828350 494845761 /nfs/dbraw/zinc/84/57/61/494845761.db2.gz WQYZUCGTNCCGJB-UHFFFAOYSA-N -1 1 350.400 3.085 20 5 FGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000093928977 494936260 /nfs/dbraw/zinc/93/62/60/494936260.db2.gz PRKVJEQCHRGPLK-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c(C)c1C ZINC000093928995 494936556 /nfs/dbraw/zinc/93/65/56/494936556.db2.gz HDIWSJNGLTZXKL-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000568715759 505759436 /nfs/dbraw/zinc/75/94/36/505759436.db2.gz KXKYHYLPSYECJN-HNNXBMFYSA-N -1 1 359.357 3.072 20 5 FGBDMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000171013730 495690595 /nfs/dbraw/zinc/69/05/95/495690595.db2.gz JLVMPNKQJVBRSX-GFCCVEGCSA-N -1 1 350.396 3.411 20 5 FGBDMM CC[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[C@H]1c1ccccc1 ZINC000185783518 495724545 /nfs/dbraw/zinc/72/45/45/495724545.db2.gz NHXNOTZWVXSAQV-XJKSGUPXSA-N -1 1 355.394 3.351 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000185814967 495735480 /nfs/dbraw/zinc/73/54/80/495735480.db2.gz DDQNTUYULSFSIF-UHFFFAOYSA-N -1 1 368.176 3.201 20 5 FGBDMM Cc1ccc(CCC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000186819282 496166499 /nfs/dbraw/zinc/16/64/99/496166499.db2.gz OUTJGPPVKMYLCM-UHFFFAOYSA-N -1 1 369.421 3.489 20 5 FGBDMM CCCc1nnc([N-]C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])s1 ZINC000264040715 496796546 /nfs/dbraw/zinc/79/65/46/496796546.db2.gz XWOAYCJUTGJNTP-UHFFFAOYSA-N -1 1 368.440 3.382 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3c(C)ccc(C)c3[N+](=O)[O-])ccc12 ZINC000189319242 497079856 /nfs/dbraw/zinc/07/98/56/497079856.db2.gz XGSGIGBUOKAGJL-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189562325 497164006 /nfs/dbraw/zinc/16/40/06/497164006.db2.gz CGZZQBSKLJTNKT-SECBINFHSA-N -1 1 369.299 3.075 20 5 FGBDMM C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189562305 497164296 /nfs/dbraw/zinc/16/42/96/497164296.db2.gz CGZZQBSKLJTNKT-VIFPVBQESA-N -1 1 369.299 3.075 20 5 FGBDMM CN(C)Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)ccc1F ZINC000350646264 498127141 /nfs/dbraw/zinc/12/71/41/498127141.db2.gz VIZJEKPXNGBMOO-UHFFFAOYSA-N -1 1 358.329 3.218 20 5 FGBDMM CC(C)(C)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000330531200 498147881 /nfs/dbraw/zinc/14/78/81/498147881.db2.gz SNHREHQDTDFTKG-ZDUSSCGKSA-N -1 1 356.444 3.203 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000569700526 505996861 /nfs/dbraw/zinc/99/68/61/505996861.db2.gz AUYOIAJFMYJLFR-CQSZACIVSA-N -1 1 358.394 3.326 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CC(C)C)s2)c1 ZINC000282614412 498583039 /nfs/dbraw/zinc/58/30/39/498583039.db2.gz HUTDQICTEBSYBI-UHFFFAOYSA-N -1 1 350.400 3.296 20 5 FGBDMM C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000396416797 499563185 /nfs/dbraw/zinc/56/31/85/499563185.db2.gz LQFUGJXEGNPSNI-AWEZNQCLSA-N -1 1 355.394 3.004 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000377439081 499690605 /nfs/dbraw/zinc/69/06/05/499690605.db2.gz BLJKXXGWZSIORJ-UHFFFAOYSA-N -1 1 357.341 3.154 20 5 FGBDMM CCN(CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])CCC(F)(F)F ZINC000582303732 506181178 /nfs/dbraw/zinc/18/11/78/506181178.db2.gz LLDVUMZGYQODRV-UHFFFAOYSA-N -1 1 363.336 3.288 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000427117814 500355599 /nfs/dbraw/zinc/35/55/99/500355599.db2.gz PTLIZXLJCOZFKI-UHFFFAOYSA-N -1 1 356.363 3.374 20 5 FGBDMM CCOC(=O)c1cnc(C(C)=CC(C)=Cc2cccc([N+](=O)[O-])c2)[n-]c1=O ZINC000432697399 500549686 /nfs/dbraw/zinc/54/96/86/500549686.db2.gz WQFZWSZIHRCSEM-SIMOKGRJSA-N -1 1 369.377 3.362 20 5 FGBDMM O=C(NCC1(Cc2ccccc2)CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445153527 500949800 /nfs/dbraw/zinc/94/98/00/500949800.db2.gz VHPHCXVLWGBSAB-UHFFFAOYSA-N -1 1 355.394 3.228 20 5 FGBDMM Cc1ccc(-c2cc(=NC(=O)Cc3cccc([N+](=O)[O-])c3C)[nH][n-]2)s1 ZINC000440140348 500979880 /nfs/dbraw/zinc/97/98/80/500979880.db2.gz ZKUUTXBVOWOHNK-UHFFFAOYSA-N -1 1 356.407 3.266 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000474425253 501831250 /nfs/dbraw/zinc/83/12/50/501831250.db2.gz GXHFSVZKMXIYSZ-UHFFFAOYSA-N -1 1 364.427 3.475 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c([N+](=O)[O-])c1 ZINC000474434779 501835174 /nfs/dbraw/zinc/83/51/74/501835174.db2.gz TXKJCCDFIFQFGL-UHFFFAOYSA-N -1 1 364.427 3.475 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C)cc1C ZINC000478679193 502054735 /nfs/dbraw/zinc/05/47/35/502054735.db2.gz CQTQNDXVZLMLEI-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)ccc12 ZINC000461333437 502073121 /nfs/dbraw/zinc/07/31/21/502073121.db2.gz MVAZPJGUXUAUPW-UHFFFAOYSA-N -1 1 374.422 3.208 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@@H]1C1CCCCC1 ZINC000462493671 502463473 /nfs/dbraw/zinc/46/34/73/502463473.db2.gz XZPXSMFUMVIROM-DGCLKSJQSA-N -1 1 358.847 3.495 20 5 FGBDMM COC1(C[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[O-])CCC1 ZINC000593011357 506334535 /nfs/dbraw/zinc/33/45/35/506334535.db2.gz PNLHBZVZGWAVJD-MRXNPFEDSA-N -1 1 374.393 3.357 20 5 FGBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1C(F)(F)F ZINC000509080546 503637061 /nfs/dbraw/zinc/63/70/61/503637061.db2.gz GJYMPKHADIDODE-MRVPVSSYSA-N -1 1 355.272 3.205 20 5 FGBDMM Cc1cc(C)n(-c2ccc(Cc3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)cc2)n1 ZINC000546246941 503686146 /nfs/dbraw/zinc/68/61/46/503686146.db2.gz OBHSUIZSHZIVBM-UHFFFAOYSA-N -1 1 364.365 3.366 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2c2ccccc2)s1 ZINC000518440885 503986385 /nfs/dbraw/zinc/98/63/85/503986385.db2.gz UUICSDTXZXDNQN-CHWSQXEVSA-N -1 1 352.437 3.271 20 5 FGBDMM COc1ccc(Br)cc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000545634971 504549316 /nfs/dbraw/zinc/54/93/16/504549316.db2.gz HYFGUVDMYYAWPZ-UHFFFAOYSA-N -1 1 365.143 3.411 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000565367047 504866766 /nfs/dbraw/zinc/86/67/66/504866766.db2.gz KIFJDYSAGPKGEQ-UHFFFAOYSA-N -1 1 358.394 3.470 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c1 ZINC000612600153 506645295 /nfs/dbraw/zinc/64/52/95/506645295.db2.gz LELAPLDNOQFFAL-UHFFFAOYSA-N -1 1 352.416 3.033 20 5 FGBDMM Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000604307285 506780018 /nfs/dbraw/zinc/78/00/18/506780018.db2.gz GDVDMXBKTSREPZ-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM CC(C)(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000604399440 506820530 /nfs/dbraw/zinc/82/05/30/506820530.db2.gz HNBYPSKCISBVTP-UHFFFAOYSA-N -1 1 354.453 3.303 20 5 FGBDMM O=C(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000609430685 506880241 /nfs/dbraw/zinc/88/02/41/506880241.db2.gz MBJWODYSLLRJDM-UHFFFAOYSA-N -1 1 363.736 3.213 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592176671 507525020 /nfs/dbraw/zinc/52/50/20/507525020.db2.gz BNOXCXSIWYJXLI-IBGZPJMESA-N -1 1 354.406 3.460 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000601963664 507530567 /nfs/dbraw/zinc/53/05/67/507530567.db2.gz LCESNXNDUVUAJG-INIZCTEOSA-N -1 1 360.341 3.085 20 5 FGBDMM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000586792316 507673741 /nfs/dbraw/zinc/67/37/41/507673741.db2.gz IUIVDPSVXXSHHE-HNNXBMFYSA-N -1 1 369.421 3.037 20 5 FGBDMM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000586792317 507674013 /nfs/dbraw/zinc/67/40/13/507674013.db2.gz IUIVDPSVXXSHHE-OAHLLOKOSA-N -1 1 369.421 3.037 20 5 FGBDMM COc1cc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000611516520 507715302 /nfs/dbraw/zinc/71/53/02/507715302.db2.gz OCXDFYYMANTRBG-UHFFFAOYSA-N -1 1 370.405 3.404 20 5 FGBDMM COc1cc(OC)cc([C@@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000832050891 602176288 /nfs/dbraw/zinc/17/62/88/602176288.db2.gz RVXJHFXBNQJELU-KPZWWZAWSA-N -1 1 374.393 3.397 20 5 FGBDMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000132304459 700826158 /nfs/dbraw/zinc/82/61/58/700826158.db2.gz CCZZZPHCGUEWGR-UHFFFAOYSA-N -1 1 352.343 3.046 20 5 FGBDMM CCOc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000132292252 700826181 /nfs/dbraw/zinc/82/61/81/700826181.db2.gz DTJNGJZDXSHXEN-UHFFFAOYSA-N -1 1 354.359 3.242 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1[N+](=O)[O-] ZINC000194347887 713519237 /nfs/dbraw/zinc/51/92/37/713519237.db2.gz RFQYNPQVEBMKNM-SJCJKPOMSA-N -1 1 366.439 3.040 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000524649005 714293748 /nfs/dbraw/zinc/29/37/48/714293748.db2.gz QDZUIYDQHDYBRX-GFCCVEGCSA-N -1 1 357.391 3.183 20 5 FGBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)[C@H](C)C2 ZINC000768889975 723671303 /nfs/dbraw/zinc/67/13/03/723671303.db2.gz QVOLYYJLHUHQOE-BMIGLBTASA-N -1 1 352.437 3.177 20 5 FGBDMM Cc1cc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(Cl)cc1F ZINC000780076894 724445631 /nfs/dbraw/zinc/44/56/31/724445631.db2.gz XYQDUANVBBLUKF-UHFFFAOYSA-N -1 1 367.716 3.441 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc(Cl)c1 ZINC000725815713 722423147 /nfs/dbraw/zinc/42/31/47/722423147.db2.gz IXKBCOKTQKYKPE-UHFFFAOYSA-N -1 1 361.206 3.380 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)cc1[N+](=O)[O-] ZINC000795379382 723586624 /nfs/dbraw/zinc/58/66/24/723586624.db2.gz DSUHXWWQYDHNGT-NSHDSACASA-N -1 1 368.386 3.205 20 5 FGBDMM COC(=O)c1ccc(C(=O)OCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[n-]1 ZINC000796346769 723633691 /nfs/dbraw/zinc/63/36/91/723633691.db2.gz SBIQMAAUIBLWLA-UHFFFAOYSA-N -1 1 373.148 3.373 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800052356 724136856 /nfs/dbraw/zinc/13/68/56/724136856.db2.gz RRTDQKAMSXKKQD-UHFFFAOYSA-N -1 1 369.330 3.060 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c(F)c1 ZINC000800929981 724249668 /nfs/dbraw/zinc/24/96/68/724249668.db2.gz CWIFYULGHQUXES-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1 ZINC000808346843 725195960 /nfs/dbraw/zinc/19/59/60/725195960.db2.gz QPUAKZFRQVRIGZ-UHFFFAOYSA-N -1 1 368.789 3.413 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCc2ccco2)c(Cl)cc1Cl ZINC000809832019 725271927 /nfs/dbraw/zinc/27/19/27/725271927.db2.gz KHPKVTAEAQHKEH-UHFFFAOYSA-N -1 1 365.194 3.016 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccsc1 ZINC000809843423 725272532 /nfs/dbraw/zinc/27/25/32/725272532.db2.gz NJGXDJKLBPWYJK-SSDOTTSWSA-N -1 1 364.807 3.488 20 5 FGBDMM O=C([N-]c1nc2ccccn2n1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813141455 726842895 /nfs/dbraw/zinc/84/28/95/726842895.db2.gz ASRIHRWYYRIBGU-UHFFFAOYSA-N -1 1 352.137 3.197 20 5 FGBDMM CCSc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000813746716 726910820 /nfs/dbraw/zinc/91/08/20/726910820.db2.gz PTBBGSDOYIPPRR-UHFFFAOYSA-N -1 1 358.466 3.247 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cccs1 ZINC000814978994 727016656 /nfs/dbraw/zinc/01/66/56/727016656.db2.gz DYEZKJGFWNQBTA-SSDOTTSWSA-N -1 1 364.807 3.488 20 5 FGBDMM O=[N+]([O-])c1cnc(S[C@H]2CCCc3ccccc32)c(-c2nn[n-]n2)c1 ZINC000823651925 729296411 /nfs/dbraw/zinc/29/64/11/729296411.db2.gz RRMXZLAMMYJRRJ-AWEZNQCLSA-N -1 1 354.395 3.340 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2CC=CC2)c1Cl ZINC000859275328 732301864 /nfs/dbraw/zinc/30/18/64/732301864.db2.gz HLLVBYPCCSWIEA-UHFFFAOYSA-N -1 1 351.211 3.146 20 5 FGBDMM O=C([O-])[C@@]1(F)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000901517295 743295366 /nfs/dbraw/zinc/29/53/66/743295366.db2.gz ZJIJCHVWSQUAAE-MRXNPFEDSA-N -1 1 350.371 3.322 20 5 FGBDMM CN(C)[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccsc1 ZINC000914571083 757801941 /nfs/dbraw/zinc/80/19/41/757801941.db2.gz KNECGPNWIZOIJT-LEXSJLIMSA-N -1 1 361.423 3.469 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)ccc1[N+](=O)[O-] ZINC000546880313 503914395 /nfs/dbraw/zinc/91/43/95/503914395.db2.gz NYIHILUJILLYAG-UHFFFAOYSA-N -1 1 366.361 3.447 20 5 FGBDMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000011443233 494177013 /nfs/dbraw/zinc/17/70/13/494177013.db2.gz HWPSYFCLXRVAMR-UHFFFAOYSA-N -1 1 362.411 3.082 20 5 FGBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(-c2ccncc2)cc1 ZINC000126743541 494830138 /nfs/dbraw/zinc/83/01/38/494830138.db2.gz BNFPTXZOZZLYHJ-LBPRGKRZSA-N -1 1 364.361 3.248 20 5 FGBDMM CCN(C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000093770817 494920274 /nfs/dbraw/zinc/92/02/74/494920274.db2.gz OKVNOLDRKCAADF-LBPRGKRZSA-N -1 1 361.364 3.007 20 5 FGBDMM O=C(Nc1cc(Cl)ccc1[O-])c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111577708 495088494 /nfs/dbraw/zinc/08/84/94/495088494.db2.gz QFIUMWAUNYRUOV-UHFFFAOYSA-N -1 1 359.725 3.048 20 5 FGBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)c2C)o1 ZINC000135403815 495287405 /nfs/dbraw/zinc/28/74/05/495287405.db2.gz KATHWBJCQAHPPA-UHFFFAOYSA-N -1 1 368.396 3.057 20 5 FGBDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000135614561 495318736 /nfs/dbraw/zinc/31/87/36/495318736.db2.gz SWCVPWRDCJETMG-UHFFFAOYSA-N -1 1 363.395 3.053 20 5 FGBDMM CCc1noc(C)c1[N-]C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000121030142 495507627 /nfs/dbraw/zinc/50/76/27/495507627.db2.gz ZAPRYYFXFMWWQS-UHFFFAOYSA-N -1 1 351.384 3.436 20 5 FGBDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])c2ncccc12 ZINC000184967786 496604160 /nfs/dbraw/zinc/60/41/60/496604160.db2.gz FKGSWHJRGDQXNR-UHFFFAOYSA-N -1 1 361.354 3.391 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cc1[N+](=O)[O-] ZINC000191908560 496929132 /nfs/dbraw/zinc/92/91/32/496929132.db2.gz XOPLXRFKNLAONI-UHFFFAOYSA-N -1 1 374.378 3.062 20 5 FGBDMM CN(C)Cc1ccc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1F ZINC000572164283 505904459 /nfs/dbraw/zinc/90/44/59/505904459.db2.gz YWJDSHZSARRLIZ-UHFFFAOYSA-N -1 1 361.373 3.035 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1CN(CCCC(=O)[O-])Cc1ccccc1 ZINC000581316305 505958995 /nfs/dbraw/zinc/95/89/95/505958995.db2.gz QUQNQQYIWHVKEG-UHFFFAOYSA-N -1 1 358.394 3.470 20 5 FGBDMM Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000298925706 498918954 /nfs/dbraw/zinc/91/89/54/498918954.db2.gz CVDLBVIMOWBEBG-UHFFFAOYSA-N -1 1 370.409 3.356 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000368861414 499340988 /nfs/dbraw/zinc/34/09/88/499340988.db2.gz WBUJCMTXDUATHQ-UHFFFAOYSA-N -1 1 368.389 3.344 20 5 FGBDMM O=C(Nc1cccc2cc(Br)cnc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000388467504 499551066 /nfs/dbraw/zinc/55/10/66/499551066.db2.gz YJFNLFKNVSYMQY-UHFFFAOYSA-N -1 1 361.155 3.486 20 5 FGBDMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000376398220 499605578 /nfs/dbraw/zinc/60/55/78/499605578.db2.gz LMHXTNJZIXHUCO-UHFFFAOYSA-N -1 1 364.774 3.051 20 5 FGBDMM COc1ccc(-c2ccc(CN3CCCC[C@@H]3C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000414680804 499820305 /nfs/dbraw/zinc/82/03/05/499820305.db2.gz LNYNALCAOZNKDN-OAHLLOKOSA-N -1 1 360.366 3.303 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000417618124 500126758 /nfs/dbraw/zinc/12/67/58/500126758.db2.gz CPMBPCKESLEDSU-IAGOWNOFSA-N -1 1 356.378 3.396 20 5 FGBDMM COc1ccc([O-])c(-c2nc(Cc3c[nH]c4ccc([N+](=O)[O-])cc34)no2)c1 ZINC000436948910 500576446 /nfs/dbraw/zinc/57/64/46/500576446.db2.gz INSANMRXNBNEAC-UHFFFAOYSA-N -1 1 366.333 3.431 20 5 FGBDMM O=C(N[C@@H](c1cccc(F)c1)C1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444994933 500930470 /nfs/dbraw/zinc/93/04/70/500930470.db2.gz FXYYZSWSBYCYLE-MRXNPFEDSA-N -1 1 359.357 3.496 20 5 FGBDMM O=[N+]([O-])c1ccccc1-n1ccc(-c2nc(-c3ccc([O-])cc3F)no2)n1 ZINC000445464669 500990647 /nfs/dbraw/zinc/99/06/47/500990647.db2.gz VOGRPQBGSSBZNP-UHFFFAOYSA-N -1 1 367.296 3.342 20 5 FGBDMM O=C(c1cc2ccccc2cc1[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000436841019 501219691 /nfs/dbraw/zinc/21/96/91/501219691.db2.gz QZWFLRHWQANDJR-UHFFFAOYSA-N -1 1 364.357 3.357 20 5 FGBDMM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471112050 501923793 /nfs/dbraw/zinc/92/37/93/501923793.db2.gz INRVDZKUJUGGFY-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1 ZINC000481959481 501929508 /nfs/dbraw/zinc/92/95/08/501929508.db2.gz RBFKCFMLCZWGTI-UHFFFAOYSA-N -1 1 358.322 3.040 20 5 FGBDMM CC[C@H](C)c1cc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)on1 ZINC000485986791 502011517 /nfs/dbraw/zinc/01/15/17/502011517.db2.gz XJVPFJWTCPRRQS-VIFPVBQESA-N -1 1 361.354 3.444 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC000461131041 502022039 /nfs/dbraw/zinc/02/20/39/502022039.db2.gz PTCVAISCSCVNSD-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000477102782 502678979 /nfs/dbraw/zinc/67/89/79/502678979.db2.gz URNDXCOHKNJXPK-UHFFFAOYSA-N -1 1 363.333 3.424 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc2n[nH]cc21 ZINC000491585981 503321712 /nfs/dbraw/zinc/32/17/12/503321712.db2.gz IXRGAOVSSFDJIL-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM CCOc1cc(CN(CC(=O)[O-])Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000518201060 503926694 /nfs/dbraw/zinc/92/66/94/503926694.db2.gz QUOSJCQNCPKTDB-UHFFFAOYSA-N -1 1 362.357 3.219 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2c2ccccc2)s1 ZINC000518440887 503985759 /nfs/dbraw/zinc/98/57/59/503985759.db2.gz UUICSDTXZXDNQN-STQMWFEESA-N -1 1 352.437 3.271 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000518658658 504036798 /nfs/dbraw/zinc/03/67/98/504036798.db2.gz PDUPHYCOHWTCRA-NSHDSACASA-N -1 1 356.787 3.197 20 5 FGBDMM O=C([N-]c1nnc(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cn1 ZINC000531736349 504408575 /nfs/dbraw/zinc/40/85/75/504408575.db2.gz DTPGVVOUJPBERC-UHFFFAOYSA-N -1 1 361.770 3.414 20 5 FGBDMM CC(C)NC(=O)Nc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000545700925 504568144 /nfs/dbraw/zinc/56/81/44/504568144.db2.gz JFHOKVFQJFDVQE-UHFFFAOYSA-N -1 1 356.342 3.170 20 5 FGBDMM CC(C)c1ccc(O[C@H](C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000521482443 504745806 /nfs/dbraw/zinc/74/58/06/504745806.db2.gz REUXPITYYNINJN-GFCCVEGCSA-N -1 1 359.382 3.016 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1C ZINC000557495425 505150398 /nfs/dbraw/zinc/15/03/98/505150398.db2.gz COSCUZMFYPZQEB-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM COc1cc(CSc2nc(C(F)F)cc(=O)[n-]2)c([N+](=O)[O-])cc1F ZINC000558463347 505397500 /nfs/dbraw/zinc/39/75/00/505397500.db2.gz IEKAJLOSOPHPHM-UHFFFAOYSA-N -1 1 361.301 3.468 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000593743515 506757883 /nfs/dbraw/zinc/75/78/83/506757883.db2.gz IBXWNQMTLURFSB-SFHVURJKSA-N -1 1 370.405 3.127 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN(CCc2ccccc2)[C@H]2CCOC2)c1 ZINC000593743515 506757887 /nfs/dbraw/zinc/75/78/87/506757887.db2.gz IBXWNQMTLURFSB-SFHVURJKSA-N -1 1 370.405 3.127 20 5 FGBDMM CO[C@H](C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-])C1CC1 ZINC000593949231 506843715 /nfs/dbraw/zinc/84/37/15/506843715.db2.gz ZOIGHIPIRQNISH-MAUKXSAKSA-N -1 1 374.393 3.213 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(O)c(C)cc1C ZINC000612997762 506857808 /nfs/dbraw/zinc/85/78/08/506857808.db2.gz BRHOUDJGDFREGG-UHFFFAOYSA-N -1 1 350.396 3.280 20 5 FGBDMM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610265363 507166530 /nfs/dbraw/zinc/16/65/30/507166530.db2.gz FRSAVNKJVPVTFQ-GDBMZVCRSA-N -1 1 366.826 3.257 20 5 FGBDMM CCSc1ccc([C@@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594758147 507269883 /nfs/dbraw/zinc/26/98/83/507269883.db2.gz BRTFNRKLWRCIRM-LLVKDONJSA-N -1 1 367.452 3.141 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c(C)c1O ZINC000598709019 507561155 /nfs/dbraw/zinc/56/11/55/507561155.db2.gz IKBUUULSEHAOGJ-UHFFFAOYSA-N -1 1 350.396 3.335 20 5 FGBDMM COc1ccccc1[C@H](C)Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821882695 599067916 /nfs/dbraw/zinc/06/79/16/599067916.db2.gz IGIOHFANTFDXNT-VIFPVBQESA-N -1 1 358.383 3.032 20 5 FGBDMM Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000522365436 600612090 /nfs/dbraw/zinc/61/20/90/600612090.db2.gz XEXRQOWHBGSIIM-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM CCCOc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(C)c1 ZINC000821134247 606701339 /nfs/dbraw/zinc/70/13/39/606701339.db2.gz QBZSONVCCFIFKN-UHFFFAOYSA-N -1 1 355.358 3.011 20 5 FGBDMM CCCOc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(C)c1 ZINC000821134247 606701340 /nfs/dbraw/zinc/70/13/40/606701340.db2.gz QBZSONVCCFIFKN-UHFFFAOYSA-N -1 1 355.358 3.011 20 5 FGBDMM Cc1ccc(-c2[nH]nc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)c2C)o1 ZINC000120064103 700647167 /nfs/dbraw/zinc/64/71/67/700647167.db2.gz LWCIYJBEVILXCY-UHFFFAOYSA-N -1 1 368.396 3.057 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cs1 ZINC000120077111 700647668 /nfs/dbraw/zinc/64/76/68/700647668.db2.gz JTRJZPMZKRPQKL-UHFFFAOYSA-N -1 1 374.350 3.271 20 5 FGBDMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120294755 700652300 /nfs/dbraw/zinc/65/23/00/700652300.db2.gz JYLZBUDFOCQTTF-UHFFFAOYSA-N -1 1 359.404 3.417 20 5 FGBDMM COc1cc(C)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1C ZINC000782483590 724674303 /nfs/dbraw/zinc/67/43/03/724674303.db2.gz DXNTUQKLCJTTJI-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)ccc1Cl ZINC000783863554 724797897 /nfs/dbraw/zinc/79/78/97/724797897.db2.gz FGEVGBCYUQEWFI-UHFFFAOYSA-N -1 1 370.749 3.064 20 5 FGBDMM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725823882 722423743 /nfs/dbraw/zinc/42/37/43/722423743.db2.gz GRSHXLJSASNQIR-GFCCVEGCSA-N -1 1 368.842 3.466 20 5 FGBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CC2 ZINC000730267700 722466604 /nfs/dbraw/zinc/46/66/04/722466604.db2.gz AARBFVMTWWTTDP-AWEZNQCLSA-N -1 1 350.371 3.008 20 5 FGBDMM C[C@H](O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F ZINC000795379767 723586676 /nfs/dbraw/zinc/58/66/76/723586676.db2.gz JBBMFGSAIPVTDU-QMMMGPOBSA-N -1 1 374.777 3.241 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)cc([N+](=O)[O-])c1F ZINC000795388784 723587546 /nfs/dbraw/zinc/58/75/46/723587546.db2.gz QBTYXCGWMAXUEY-SECBINFHSA-N -1 1 372.349 3.036 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccccc1 ZINC000795824778 723610774 /nfs/dbraw/zinc/61/07/74/723610774.db2.gz QKKDZDQWIXRCHC-SECBINFHSA-N -1 1 358.778 3.427 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccccc1 ZINC000795824781 723610891 /nfs/dbraw/zinc/61/08/91/723610891.db2.gz QKKDZDQWIXRCHC-VIFPVBQESA-N -1 1 358.778 3.427 20 5 FGBDMM C[C@@H]1CCc2c(F)cccc2[C@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768852584 723669655 /nfs/dbraw/zinc/66/96/55/723669655.db2.gz HWTGLSWIBGHCNL-PSLIRLAXSA-N -1 1 370.427 3.397 20 5 FGBDMM Cc1ccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000769049027 723675621 /nfs/dbraw/zinc/67/56/21/723675621.db2.gz OTIKAOKEHAKLGH-UHFFFAOYSA-N -1 1 364.741 3.058 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccsc1 ZINC000809843424 725272550 /nfs/dbraw/zinc/27/25/50/725272550.db2.gz NJGXDJKLBPWYJK-ZETCQYMHSA-N -1 1 364.807 3.488 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2(C3CC3)CC2)c1Cl ZINC000830935469 729604089 /nfs/dbraw/zinc/60/40/89/729604089.db2.gz DWBHHPPZCSKNEI-UHFFFAOYSA-N -1 1 365.238 3.370 20 5 FGBDMM CSCC1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000849426867 731258560 /nfs/dbraw/zinc/25/85/60/731258560.db2.gz BVQXQXKXAQPOAR-UHFFFAOYSA-N -1 1 364.876 3.060 20 5 FGBDMM O=C([O-])c1cnc([C@@H]2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)s1 ZINC000905749905 744051759 /nfs/dbraw/zinc/05/17/59/744051759.db2.gz OURYTBAFYHAHKY-SNVBAGLBSA-N -1 1 367.814 3.392 20 5 FGBDMM O=C([O-])c1cnc([C@@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)s1 ZINC000905749721 744051804 /nfs/dbraw/zinc/05/18/04/744051804.db2.gz NARRFSNNCGPMIE-SECBINFHSA-N -1 1 367.814 3.392 20 5 FGBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1scnc1Cl ZINC000920080286 758508561 /nfs/dbraw/zinc/50/85/61/758508561.db2.gz FCAIJEQYNCLIMO-UHFFFAOYSA-N -1 1 355.759 3.118 20 5 FGBDMM CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000577064966 505656442 /nfs/dbraw/zinc/65/64/42/505656442.db2.gz OSSPPGHIIYTSBF-UHFFFAOYSA-N -1 1 366.805 3.247 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000031555985 493948414 /nfs/dbraw/zinc/94/84/14/493948414.db2.gz QSPMFTOQXCDGEE-UHFFFAOYSA-N -1 1 366.395 3.111 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)cc1[N+](=O)[O-] ZINC000031722669 493957277 /nfs/dbraw/zinc/95/72/77/493957277.db2.gz LMIGBLYTIMITMR-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CC2)s1 ZINC000069870588 494023541 /nfs/dbraw/zinc/02/35/41/494023541.db2.gz VYSDXGUQIYRWKV-UHFFFAOYSA-N -1 1 358.828 3.277 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COC)c1 ZINC000067123938 494478832 /nfs/dbraw/zinc/47/88/32/494478832.db2.gz ZCVRSSFVZKRVJV-UHFFFAOYSA-N -1 1 350.396 3.104 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000023390788 494564730 /nfs/dbraw/zinc/56/47/30/494564730.db2.gz GGOMKPQWCNSSFY-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2ccnc2)c1 ZINC000116601976 494823255 /nfs/dbraw/zinc/82/32/55/494823255.db2.gz XZIPJJCGDZNNMV-UHFFFAOYSA-N -1 1 372.406 3.144 20 5 FGBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000119094878 495091174 /nfs/dbraw/zinc/09/11/74/495091174.db2.gz LOFLGGBEENYWSZ-UHFFFAOYSA-N -1 1 362.816 3.428 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c([N+](=O)[O-])c1 ZINC000142057339 495513266 /nfs/dbraw/zinc/51/32/66/495513266.db2.gz XNDLSELXIALTHF-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c1 ZINC000145454046 495556533 /nfs/dbraw/zinc/55/65/33/495556533.db2.gz QHSSUDPACGCPSN-UHFFFAOYSA-N -1 1 370.390 3.298 20 5 FGBDMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000158877920 495607277 /nfs/dbraw/zinc/60/72/77/495607277.db2.gz TZOXKIANDSAGGG-UHFFFAOYSA-N -1 1 353.375 3.355 20 5 FGBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000186000434 495816295 /nfs/dbraw/zinc/81/62/95/495816295.db2.gz HJDSZCRYCPXRPL-UHFFFAOYSA-N -1 1 351.313 3.222 20 5 FGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)[nH]n1 ZINC000159876544 495830696 /nfs/dbraw/zinc/83/06/96/495830696.db2.gz WXFREWHMOOPBGS-SNVBAGLBSA-N -1 1 368.415 3.031 20 5 FGBDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000159936942 495845583 /nfs/dbraw/zinc/84/55/83/495845583.db2.gz HMHQGSTULCMLHU-UHFFFAOYSA-N -1 1 358.807 3.115 20 5 FGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000180819470 496158921 /nfs/dbraw/zinc/15/89/21/496158921.db2.gz RJPFFLMKYXRCEX-NSHDSACASA-N -1 1 352.416 3.163 20 5 FGBDMM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175273748 496318193 /nfs/dbraw/zinc/31/81/93/496318193.db2.gz RDAZFLJKKZDCCV-CMPLNLGQSA-N -1 1 364.876 3.201 20 5 FGBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000187162805 496320624 /nfs/dbraw/zinc/32/06/24/496320624.db2.gz RZBSYBIXOHWFQL-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM CC(C)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000188395946 496776030 /nfs/dbraw/zinc/77/60/30/496776030.db2.gz AHUADCLLFBPXSL-CQSZACIVSA-N -1 1 369.381 3.089 20 5 FGBDMM CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000264710918 496969331 /nfs/dbraw/zinc/96/93/31/496969331.db2.gz DVMMDGURDDIWSL-UHFFFAOYSA-N -1 1 364.789 3.309 20 5 FGBDMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000190396816 497463603 /nfs/dbraw/zinc/46/36/03/497463603.db2.gz VQACKFKQCUSWPY-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2Cl)CC1 ZINC000373194215 499456499 /nfs/dbraw/zinc/45/64/99/499456499.db2.gz SXNAKXKQWNFSFS-UHFFFAOYSA-N -1 1 359.769 3.278 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c(C)c1O ZINC000414367458 499781577 /nfs/dbraw/zinc/78/15/77/499781577.db2.gz FCLMWVKNILQGNI-UHFFFAOYSA-N -1 1 350.396 3.335 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cc1C ZINC000431617576 500398641 /nfs/dbraw/zinc/39/86/41/500398641.db2.gz AUFZGWLOYHAZLT-OAHLLOKOSA-N -1 1 370.377 3.496 20 5 FGBDMM CC(C)(C)n1cnc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC000448343787 500750028 /nfs/dbraw/zinc/75/00/28/500750028.db2.gz CIHVTHDIFIDGOZ-UHFFFAOYSA-N -1 1 357.292 3.212 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000445180333 500952593 /nfs/dbraw/zinc/95/25/93/500952593.db2.gz ZJSKYGLALIDZGX-UHFFFAOYSA-N -1 1 372.768 3.029 20 5 FGBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000436148135 501078233 /nfs/dbraw/zinc/07/82/33/501078233.db2.gz OBPXZXSGVWSUBA-UHFFFAOYSA-N -1 1 373.294 3.071 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([C@H]2CCOC2)cc1 ZINC000451064015 501242906 /nfs/dbraw/zinc/24/29/06/501242906.db2.gz QVOJBOVHUOHEFT-AWEZNQCLSA-N -1 1 362.407 3.208 20 5 FGBDMM O=C(c1cc(F)cc2nn[nH]c21)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456135749 501462187 /nfs/dbraw/zinc/46/21/87/501462187.db2.gz HWVXYOBMEXHNDU-LBPRGKRZSA-N -1 1 369.356 3.025 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000474416858 501828463 /nfs/dbraw/zinc/82/84/63/501828463.db2.gz PQJMACHBMAHYBN-UHFFFAOYSA-N -1 1 364.427 3.393 20 5 FGBDMM CCCCc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[nH]n1 ZINC000471505479 502048327 /nfs/dbraw/zinc/04/83/27/502048327.db2.gz QXLZIJZLFILUGV-UHFFFAOYSA-N -1 1 352.416 3.078 20 5 FGBDMM O=c1cc(/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])s2)nc2nc[n-]n21 ZINC000486173099 502071572 /nfs/dbraw/zinc/07/15/72/502071572.db2.gz SWELAHLPMDVMJP-AATRIKPKSA-N -1 1 365.374 3.225 20 5 FGBDMM COc1ccc(F)cc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000476945462 502629382 /nfs/dbraw/zinc/62/93/82/502629382.db2.gz ZQRZJEBQAHYKBV-UHFFFAOYSA-N -1 1 362.342 3.446 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000473755446 502698852 /nfs/dbraw/zinc/69/88/52/502698852.db2.gz FZMWNQUHMYKIGZ-UHFFFAOYSA-N -1 1 362.407 3.337 20 5 FGBDMM Cc1ccc(Cl)c(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000498018743 503089187 /nfs/dbraw/zinc/08/91/87/503089187.db2.gz IVIDCUKBDHOJLO-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000515631869 503377453 /nfs/dbraw/zinc/37/74/53/503377453.db2.gz CSCKVIVQHPAFOI-UHFFFAOYSA-N -1 1 366.395 3.191 20 5 FGBDMM CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000507953874 503402887 /nfs/dbraw/zinc/40/28/87/503402887.db2.gz VWZNJFKHIMGYFX-UHFFFAOYSA-N -1 1 366.826 3.084 20 5 FGBDMM Cc1cccc(OC(F)F)c1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000508008833 503412593 /nfs/dbraw/zinc/41/25/93/503412593.db2.gz FZPKCEJIJVKBIV-UHFFFAOYSA-N -1 1 374.321 3.011 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC000499717659 503466261 /nfs/dbraw/zinc/46/62/61/503466261.db2.gz HNOKXUWEIPXRKK-SECBINFHSA-N -1 1 368.789 3.352 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc3c(s2)CCCC3)s1 ZINC000516247140 503480259 /nfs/dbraw/zinc/48/02/59/503480259.db2.gz PETHPPFOVNUWSL-UHFFFAOYSA-N -1 1 358.466 3.075 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)s1 ZINC000503995395 503508083 /nfs/dbraw/zinc/50/80/83/503508083.db2.gz YWWGKJOYGBHUEJ-UHFFFAOYSA-N -1 1 360.844 3.221 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000517708512 503813700 /nfs/dbraw/zinc/81/37/00/503813700.db2.gz CERGWFDTDNLDHZ-GFCCVEGCSA-N -1 1 366.826 3.257 20 5 FGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000544327170 504088923 /nfs/dbraw/zinc/08/89/23/504088923.db2.gz MFVRFOBNWLHQFD-UHFFFAOYSA-N -1 1 373.756 3.294 20 5 FGBDMM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 ZINC000519491814 504232648 /nfs/dbraw/zinc/23/26/48/504232648.db2.gz NICZDIYTGFEVTM-LBPRGKRZSA-N -1 1 354.453 3.183 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1Cl ZINC000542003209 504331636 /nfs/dbraw/zinc/33/16/36/504331636.db2.gz SCFAYKMUHDMKED-UHFFFAOYSA-N -1 1 372.786 3.066 20 5 FGBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(CN2CCSCC2)cc1 ZINC000538870513 504400010 /nfs/dbraw/zinc/40/00/10/504400010.db2.gz KGAHCOZTEABOOZ-UHFFFAOYSA-N -1 1 373.434 3.102 20 5 FGBDMM O=C(N[C@H]1CCCc2sc(Cl)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000553829486 505021591 /nfs/dbraw/zinc/02/15/91/505021591.db2.gz ZAFCAELHGZZISB-VIFPVBQESA-N -1 1 353.787 3.218 20 5 FGBDMM CCS(=O)(=O)[N-]c1cc(-c2ccc(C)c([N+](=O)[O-])c2)ccc1OC ZINC000596638862 506504204 /nfs/dbraw/zinc/50/42/04/506504204.db2.gz DVGXLQSGPQGSLM-UHFFFAOYSA-N -1 1 350.396 3.340 20 5 FGBDMM CN(CCCOc1ccc(F)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740994 506755794 /nfs/dbraw/zinc/75/57/94/506755794.db2.gz YQUUELCYSVNQDZ-UHFFFAOYSA-N -1 1 362.357 3.333 20 5 FGBDMM Cc1c(Cl)ccc(C(=O)[O-])c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000604307282 506780870 /nfs/dbraw/zinc/78/08/70/506780870.db2.gz CIXAIGZHTDNFGX-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)s1 ZINC000609196194 506810197 /nfs/dbraw/zinc/81/01/97/506810197.db2.gz BBWVKORZMWCOJL-HNNXBMFYSA-N -1 1 352.437 3.476 20 5 FGBDMM CO[C@@H](C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-])C1CC1 ZINC000593949137 506843175 /nfs/dbraw/zinc/84/31/75/506843175.db2.gz WQLCKWICCGXSMY-AEFFLSMTSA-N -1 1 374.393 3.213 20 5 FGBDMM CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600426413 506949874 /nfs/dbraw/zinc/94/98/74/506949874.db2.gz PVXKREHMCSBCKN-AWEZNQCLSA-N -1 1 359.357 3.243 20 5 FGBDMM Cc1c(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)cccc1[N+](=O)[O-] ZINC000600673683 507059071 /nfs/dbraw/zinc/05/90/71/507059071.db2.gz AAWQOSSQNUQVCZ-UHFFFAOYSA-N -1 1 361.423 3.438 20 5 FGBDMM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610265365 507166665 /nfs/dbraw/zinc/16/66/65/507166665.db2.gz FRSAVNKJVPVTFQ-HOCLYGCPSA-N -1 1 366.826 3.257 20 5 FGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c2ccccc21 ZINC000584743732 507479792 /nfs/dbraw/zinc/47/97/92/507479792.db2.gz YSLFVXHOXLEJLA-JTQLQIEISA-N -1 1 355.325 3.479 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cc1OC ZINC000598708463 507560970 /nfs/dbraw/zinc/56/09/70/507560970.db2.gz GWLZJJQFTMBAHM-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000826190302 607450792 /nfs/dbraw/zinc/45/07/92/607450792.db2.gz XBXOAKRXMYUVOS-INIZCTEOSA-N -1 1 366.381 3.125 20 5 FGBDMM COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC000826190302 607450793 /nfs/dbraw/zinc/45/07/93/607450793.db2.gz XBXOAKRXMYUVOS-INIZCTEOSA-N -1 1 366.381 3.125 20 5 FGBDMM COc1ccc([C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000832253187 601115257 /nfs/dbraw/zinc/11/52/57/601115257.db2.gz VWYVGPDKBLGQFS-OAHLLOKOSA-N -1 1 350.758 3.172 20 5 FGBDMM O=C([O-])CCCN(Cc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000833226763 604765633 /nfs/dbraw/zinc/76/56/33/604765633.db2.gz FDEGJFKQDZSQGW-UHFFFAOYSA-N -1 1 368.393 3.269 20 5 FGBDMM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000833811693 605604552 /nfs/dbraw/zinc/60/45/52/605604552.db2.gz DOMDHEVTAUFIRF-JSGCOSHPSA-N -1 1 374.397 3.118 20 5 FGBDMM CCC[C@H](CCc1ccccc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821021209 606712217 /nfs/dbraw/zinc/71/22/17/606712217.db2.gz LWMYVYJVANNWKS-CQSZACIVSA-N -1 1 367.413 3.383 20 5 FGBDMM CCC[C@H](CCc1ccccc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821021209 606712218 /nfs/dbraw/zinc/71/22/18/606712218.db2.gz LWMYVYJVANNWKS-CQSZACIVSA-N -1 1 367.413 3.383 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1cc(Cl)ccc1Cl ZINC000823629902 607162189 /nfs/dbraw/zinc/16/21/89/607162189.db2.gz LKYOGZUGLJQEOZ-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1cc(Cl)ccc1Cl ZINC000823629902 607162190 /nfs/dbraw/zinc/16/21/90/607162190.db2.gz LKYOGZUGLJQEOZ-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Br)c([N+](=O)[O-])c1 ZINC000127482625 700762124 /nfs/dbraw/zinc/76/21/24/700762124.db2.gz VMILTLMRGWKMNY-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(OCCF)c2)cc([N+](=O)[O-])c1F ZINC000132505107 700828233 /nfs/dbraw/zinc/82/82/33/700828233.db2.gz WEPPKVSLTLBSRY-UHFFFAOYSA-N -1 1 372.349 3.191 20 5 FGBDMM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000179392785 705700008 /nfs/dbraw/zinc/70/00/08/705700008.db2.gz KPGCWEJLUCNHBN-CMDGGOBGSA-N -1 1 366.370 3.293 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000525698132 714369074 /nfs/dbraw/zinc/36/90/74/714369074.db2.gz HQYJXXZLXPBJBT-LBPRGKRZSA-N -1 1 355.803 3.073 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1[N+](=O)[O-] ZINC000782259667 724645213 /nfs/dbraw/zinc/64/52/13/724645213.db2.gz BSQFJHPINVDCAR-UHFFFAOYSA-N -1 1 362.407 3.283 20 5 FGBDMM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742311261 722554955 /nfs/dbraw/zinc/55/49/55/722554955.db2.gz ALTQXAXPDPDHLK-CVEARBPZSA-N -1 1 366.826 3.257 20 5 FGBDMM O=C([N-]c1nc(-c2cccnc2)ns1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000756730940 722969221 /nfs/dbraw/zinc/96/92/21/722969221.db2.gz PIQGADNZTAUMJJ-UHFFFAOYSA-N -1 1 361.770 3.414 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(C)cc1C ZINC000794612156 723535308 /nfs/dbraw/zinc/53/53/08/723535308.db2.gz FMUDMSYBMHPIHG-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM Cc1ccc([C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000768803372 723667674 /nfs/dbraw/zinc/66/76/74/723667674.db2.gz LEGPEICHCIOLKD-HNNXBMFYSA-N -1 1 352.437 3.394 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N(C)C)c1C ZINC000776092641 724109467 /nfs/dbraw/zinc/10/94/67/724109467.db2.gz ZPYXOHPPUBPFMW-UHFFFAOYSA-N -1 1 363.439 3.332 20 5 FGBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000788216597 725050539 /nfs/dbraw/zinc/05/05/39/725050539.db2.gz KTSVSRVEJVOSTR-UHFFFAOYSA-N -1 1 371.758 3.098 20 5 FGBDMM CC1(CC[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809840334 725272325 /nfs/dbraw/zinc/27/23/25/725272325.db2.gz QXDPRRXIMLOOKV-UHFFFAOYSA-N -1 1 353.227 3.370 20 5 FGBDMM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815029108 727022693 /nfs/dbraw/zinc/02/26/93/727022693.db2.gz NZJVJQKWRIAIDP-SECBINFHSA-N -1 1 373.793 3.130 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C(C2CC2)C2CC2)c1Cl ZINC000829864316 729517947 /nfs/dbraw/zinc/51/79/47/729517947.db2.gz MPJQGXFIPLIDDI-UHFFFAOYSA-N -1 1 365.238 3.369 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCS2)c1Cl ZINC000830845069 729597183 /nfs/dbraw/zinc/59/71/83/729597183.db2.gz HRLOMGALCYUDJW-SSDOTTSWSA-N -1 1 371.267 3.076 20 5 FGBDMM O=C([O-])C1(C(F)(F)F)CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000905740722 744050425 /nfs/dbraw/zinc/05/04/25/744050425.db2.gz YXBORFWQYUQXCM-HYXAFXHYSA-N -1 1 358.316 3.337 20 5 FGBDMM O=C([O-])CC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923249363 759090336 /nfs/dbraw/zinc/09/03/36/759090336.db2.gz VKILSTYGCBDTFF-NSHDSACASA-N -1 1 371.231 3.434 20 5 FGBDMM C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923255011 759090912 /nfs/dbraw/zinc/09/09/12/759090912.db2.gz WXEJBQXSJLAOEI-VHSXEESVSA-N -1 1 357.204 3.042 20 5 FGBDMM O=C(CSc1ccc2c(c1)CCC2)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000924781863 759390207 /nfs/dbraw/zinc/39/02/07/759390207.db2.gz IENDIBZLCCGBRJ-UHFFFAOYSA-N -1 1 356.403 3.132 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)c(F)c1 ZINC000067123995 494478748 /nfs/dbraw/zinc/47/87/48/494478748.db2.gz XRXIREIENXVKHE-UHFFFAOYSA-N -1 1 354.359 3.106 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000104759935 495303291 /nfs/dbraw/zinc/30/32/91/495303291.db2.gz KXNXEASNXGKNDV-LLVKDONJSA-N -1 1 355.441 3.098 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000159979971 495855517 /nfs/dbraw/zinc/85/55/17/495855517.db2.gz BTXRVORQVYUUCD-SNVBAGLBSA-N -1 1 361.832 3.134 20 5 FGBDMM Cc1ccc([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000177865182 496230322 /nfs/dbraw/zinc/23/03/22/496230322.db2.gz UAKYPGCONINOHL-LLVKDONJSA-N -1 1 372.425 3.083 20 5 FGBDMM CC(C)Oc1ccc(CC[C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186976511 496236403 /nfs/dbraw/zinc/23/64/03/496236403.db2.gz DNNFYLGKBDYTTJ-ZDUSSCGKSA-N -1 1 373.409 3.234 20 5 FGBDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000175118257 496253813 /nfs/dbraw/zinc/25/38/13/496253813.db2.gz RMWRCIVJGHFAFH-SNVBAGLBSA-N -1 1 356.350 3.221 20 5 FGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000187162072 496319417 /nfs/dbraw/zinc/31/94/17/496319417.db2.gz SEZJCVFHZJTCPT-LBPRGKRZSA-N -1 1 364.361 3.248 20 5 FGBDMM COc1c(F)cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000187173161 496325519 /nfs/dbraw/zinc/32/55/19/496325519.db2.gz NETZIFCEKWMEOQ-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187206487 496338442 /nfs/dbraw/zinc/33/84/42/496338442.db2.gz QUMAKYKEEFWGFB-JTQLQIEISA-N -1 1 364.427 3.417 20 5 FGBDMM CCOc1cc(C(=O)[N-]c2c(C)noc2C2CC2)c([N+](=O)[O-])cc1OC ZINC000154145417 496695225 /nfs/dbraw/zinc/69/52/25/496695225.db2.gz WQIZAVDZJQHLFM-UHFFFAOYSA-N -1 1 361.354 3.428 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000191565654 496814783 /nfs/dbraw/zinc/81/47/83/496814783.db2.gz MGGJWCKUUHVKOU-LBPRGKRZSA-N -1 1 362.407 3.336 20 5 FGBDMM Cc1nn(CCc2nc(-c3ccc([O-])cc3Cl)no2)c(C)c1[N+](=O)[O-] ZINC000278084528 496999066 /nfs/dbraw/zinc/99/90/66/496999066.db2.gz GOKDEDZSHRVHQD-UHFFFAOYSA-N -1 1 363.761 3.060 20 5 FGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000193662044 497440365 /nfs/dbraw/zinc/44/03/65/497440365.db2.gz BXXATRXXNNINBZ-LBPRGKRZSA-N -1 1 364.361 3.248 20 5 FGBDMM O=C([N-]c1nnc(C2CCOCC2)s1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000294462123 498699965 /nfs/dbraw/zinc/69/99/65/498699965.db2.gz WKQHBTUCRVQTTD-UHFFFAOYSA-N -1 1 368.802 3.246 20 5 FGBDMM CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000295161525 498929422 /nfs/dbraw/zinc/92/94/22/498929422.db2.gz GXNFXKPXHFBWMJ-INIZCTEOSA-N -1 1 364.423 3.341 20 5 FGBDMM O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000409636859 499610934 /nfs/dbraw/zinc/61/09/34/499610934.db2.gz VEXRIPWFXQQXEH-UHFFFAOYSA-N -1 1 372.362 3.070 20 5 FGBDMM CC[C@@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CC(F)(F)F ZINC000416596640 500069718 /nfs/dbraw/zinc/06/97/18/500069718.db2.gz MYSQLSKUHQWLCI-MRVPVSSYSA-N -1 1 360.379 3.222 20 5 FGBDMM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000426745006 500314558 /nfs/dbraw/zinc/31/45/58/500314558.db2.gz SEIYHNHZODQWHW-OAHLLOKOSA-N -1 1 350.758 3.172 20 5 FGBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC000444213348 500818824 /nfs/dbraw/zinc/81/88/24/500818824.db2.gz BQEKYNFXAREGPH-OLZOCXBDSA-N -1 1 372.491 3.085 20 5 FGBDMM COc1cc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)cc([N+](=O)[O-])c1O ZINC000439271462 500878234 /nfs/dbraw/zinc/87/82/34/500878234.db2.gz GVDZWLJTZHAMJQ-AATRIKPKSA-N -1 1 356.290 3.319 20 5 FGBDMM Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444959939 500925607 /nfs/dbraw/zinc/92/56/07/500925607.db2.gz SMKHDDUNMPMTAN-NVXWUHKLSA-N -1 1 371.393 3.124 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000444997385 500931178 /nfs/dbraw/zinc/93/11/78/500931178.db2.gz FMVSJTGNVJHADF-FQEVSTJZSA-N -1 1 367.405 3.206 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000445151434 500949267 /nfs/dbraw/zinc/94/92/67/500949267.db2.gz MFINPUCPCLYKRI-LBPRGKRZSA-N -1 1 359.357 3.244 20 5 FGBDMM CCCC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000445199360 500953536 /nfs/dbraw/zinc/95/35/36/500953536.db2.gz YACYRLMUCFMUPC-OAHLLOKOSA-N -1 1 359.382 3.365 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@H]2CCOC2)cc1 ZINC000451058081 501242674 /nfs/dbraw/zinc/24/26/74/501242674.db2.gz FPQZZLLYOJSKQK-AWEZNQCLSA-N -1 1 362.407 3.208 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([C@@H]2CCOC2)cc1 ZINC000451064016 501242865 /nfs/dbraw/zinc/24/28/65/501242865.db2.gz QVOJBOVHUOHEFT-CQSZACIVSA-N -1 1 362.407 3.208 20 5 FGBDMM Cc1c(CNC(=O)c2ccc(Br)c([O-])c2)cccc1[N+](=O)[O-] ZINC000481490708 501789996 /nfs/dbraw/zinc/78/99/96/501789996.db2.gz IXNFJSBXMZFOCX-UHFFFAOYSA-N -1 1 365.183 3.301 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)c1C ZINC000468876990 502215090 /nfs/dbraw/zinc/21/50/90/502215090.db2.gz ICGBLZWSCARDSY-UHFFFAOYSA-N -1 1 366.443 3.324 20 5 FGBDMM Cc1ccc(SC[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000472701095 502422235 /nfs/dbraw/zinc/42/22/35/502422235.db2.gz GDRAKDIXCCGOQZ-LLVKDONJSA-N -1 1 372.493 3.424 20 5 FGBDMM O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000484425384 502641203 /nfs/dbraw/zinc/64/12/03/502641203.db2.gz NPGFWUGUWNIDJP-UHFFFAOYSA-N -1 1 350.334 3.428 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000484739497 502727027 /nfs/dbraw/zinc/72/70/27/502727027.db2.gz SBYZTILDXBUUQY-GFCCVEGCSA-N -1 1 359.357 3.244 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC000481261687 502799529 /nfs/dbraw/zinc/79/95/29/502799529.db2.gz PQKCJVWRLLTYHM-YPMHNXCESA-N -1 1 370.427 3.410 20 5 FGBDMM CN(C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1)c1ccccc1 ZINC000488940993 502842731 /nfs/dbraw/zinc/84/27/31/502842731.db2.gz OHWHOGQZJHOJTN-UHFFFAOYSA-N -1 1 364.361 3.452 20 5 FGBDMM CCCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000507008446 503211716 /nfs/dbraw/zinc/21/17/16/503211716.db2.gz SWKRBXCMVFXLEW-UHFFFAOYSA-N -1 1 350.396 3.493 20 5 FGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(CCC(=O)[O-])CC1 ZINC000514867924 503214796 /nfs/dbraw/zinc/21/47/96/503214796.db2.gz XYZMYNDWFZTTEF-UHFFFAOYSA-N -1 1 350.415 3.459 20 5 FGBDMM O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000490833822 503234296 /nfs/dbraw/zinc/23/42/96/503234296.db2.gz HTCRZKZSTSGBII-GFCCVEGCSA-N -1 1 369.299 3.161 20 5 FGBDMM CNS(=O)(=O)c1cccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)c1 ZINC000515438233 503337812 /nfs/dbraw/zinc/33/78/12/503337812.db2.gz AFUVYWURWWKOOG-UHFFFAOYSA-N -1 1 365.414 3.064 20 5 FGBDMM O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000516796286 503589330 /nfs/dbraw/zinc/58/93/30/503589330.db2.gz SVHXSMASQBNCHE-UHFFFAOYSA-N -1 1 351.366 3.375 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(OC(F)(F)F)cc3)no2)[n-]1 ZINC000546313712 503708719 /nfs/dbraw/zinc/70/87/19/503708719.db2.gz PWLYJTBMTNIZBJ-UHFFFAOYSA-N -1 1 354.244 3.462 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)cc1[N+](=O)[O-] ZINC000543859765 503918364 /nfs/dbraw/zinc/91/83/64/503918364.db2.gz YHURULRLJFUZGB-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM CN(C)c1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c2ccccc2n1 ZINC000547152395 504002651 /nfs/dbraw/zinc/00/26/51/504002651.db2.gz VYQAZHXKDWTLFO-UHFFFAOYSA-N -1 1 350.338 3.254 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000544646731 504203279 /nfs/dbraw/zinc/20/32/79/504203279.db2.gz OTGJNVKPSUQRQK-UHFFFAOYSA-N -1 1 368.386 3.361 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CC1 ZINC000531206234 504226642 /nfs/dbraw/zinc/22/66/42/504226642.db2.gz XQFHPGNEGPZHJS-UHFFFAOYSA-N -1 1 370.789 3.355 20 5 FGBDMM CC(F)(F)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000549572892 504851772 /nfs/dbraw/zinc/85/17/72/504851772.db2.gz UZPXLHFSMUQSJU-UHFFFAOYSA-N -1 1 371.365 3.463 20 5 FGBDMM Cc1cc(N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549568013 504852115 /nfs/dbraw/zinc/85/21/15/504852115.db2.gz RMSHNTCODVIATH-SECBINFHSA-N -1 1 372.303 3.395 20 5 FGBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C)cc1[N+](=O)[O-] ZINC000566229887 505118662 /nfs/dbraw/zinc/11/86/62/505118662.db2.gz RGESDYGSXDQIDA-UHFFFAOYSA-N -1 1 350.396 3.275 20 5 FGBDMM O=C([O-])c1ccccc1OCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000567343565 505435886 /nfs/dbraw/zinc/43/58/86/505435886.db2.gz SPCWZMUBAAPSBR-UHFFFAOYSA-N -1 1 356.378 3.336 20 5 FGBDMM COc1cc(CN2CCCC[C@@H]2CC(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000593290489 506515862 /nfs/dbraw/zinc/51/58/62/506515862.db2.gz JVOLTHVNUZRSLP-LLVKDONJSA-N -1 1 374.340 3.034 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000608834525 506722396 /nfs/dbraw/zinc/72/23/96/506722396.db2.gz AHJSNOYGUNHTJP-UHFFFAOYSA-N -1 1 352.799 3.216 20 5 FGBDMM COc1ccc2c(c1)CCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000593734160 506751848 /nfs/dbraw/zinc/75/18/48/506751848.db2.gz XBMNRWSVYBKBKH-UHFFFAOYSA-N -1 1 356.378 3.250 20 5 FGBDMM Cc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC000609661577 506965586 /nfs/dbraw/zinc/96/55/86/506965586.db2.gz VABNQRHPGLMPAO-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](CCc1ccccc1)C(F)F ZINC000600792554 507123730 /nfs/dbraw/zinc/12/37/30/507123730.db2.gz GILIACSQKUWNLA-CYBMUJFWSA-N -1 1 365.336 3.034 20 5 FGBDMM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000610882404 507428810 /nfs/dbraw/zinc/42/88/10/507428810.db2.gz YKHNXNPUPLDIEU-OAHLLOKOSA-N -1 1 369.421 3.037 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[nH]nc1C(C)C ZINC000592385246 507632998 /nfs/dbraw/zinc/63/29/98/507632998.db2.gz XEZYTQKFKOXANT-UHFFFAOYSA-N -1 1 352.416 3.167 20 5 FGBDMM Cc1c(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000738288526 599865597 /nfs/dbraw/zinc/86/55/97/599865597.db2.gz FYOQUTXKRKCYTP-UHFFFAOYSA-N -1 1 350.321 3.268 20 5 FGBDMM C[C@H](OCCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824732060 607450092 /nfs/dbraw/zinc/45/00/92/607450092.db2.gz ZQSXCYJQGARRMW-ZDUSSCGKSA-N -1 1 368.397 3.355 20 5 FGBDMM C[C@H](OCCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824732060 607450095 /nfs/dbraw/zinc/45/00/95/607450095.db2.gz ZQSXCYJQGARRMW-ZDUSSCGKSA-N -1 1 368.397 3.355 20 5 FGBDMM O=[N+]([O-])c1cc(N2CCC[C@@H]2CCc2ccccc2)ccc1-c1nn[n-]n1 ZINC000826497980 607452339 /nfs/dbraw/zinc/45/23/39/607452339.db2.gz BMMZMQCSNIAXEX-OAHLLOKOSA-N -1 1 364.409 3.377 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(c2ccccc2)CCCC1 ZINC000823620385 607166662 /nfs/dbraw/zinc/16/66/62/607166662.db2.gz KNLCKCSBOZTOQL-UHFFFAOYSA-N -1 1 365.397 3.094 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(c2ccccc2)CCCC1 ZINC000823620385 607166663 /nfs/dbraw/zinc/16/66/63/607166663.db2.gz KNLCKCSBOZTOQL-UHFFFAOYSA-N -1 1 365.397 3.094 20 5 FGBDMM CC(C)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000820021077 607168390 /nfs/dbraw/zinc/16/83/90/607168390.db2.gz OZVUJHTXVWRXIF-CQSZACIVSA-N -1 1 353.386 3.022 20 5 FGBDMM CC(C)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000820021077 607168392 /nfs/dbraw/zinc/16/83/92/607168392.db2.gz OZVUJHTXVWRXIF-CQSZACIVSA-N -1 1 353.386 3.022 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1F ZINC000032586464 695746508 /nfs/dbraw/zinc/74/65/08/695746508.db2.gz BIFREWADGALLQO-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1O ZINC000047383628 695858788 /nfs/dbraw/zinc/85/87/88/695858788.db2.gz MBVLLAPZFPTEFV-UHFFFAOYSA-N -1 1 356.787 3.371 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1 ZINC000134649075 704829547 /nfs/dbraw/zinc/82/95/47/704829547.db2.gz GYXOCRPGSWUPDW-LBPRGKRZSA-N -1 1 374.846 3.018 20 5 FGBDMM COCc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000171330183 705380809 /nfs/dbraw/zinc/38/08/09/705380809.db2.gz BQRZMZNARAGQOC-UHFFFAOYSA-N -1 1 356.787 3.195 20 5 FGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccccc1C(F)(F)F ZINC000521769868 714147137 /nfs/dbraw/zinc/14/71/37/714147137.db2.gz FBILPTSJJRPDNV-UHFFFAOYSA-N -1 1 360.313 3.092 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2Cc2ccccc2)s1 ZINC000523417082 714233254 /nfs/dbraw/zinc/23/32/54/714233254.db2.gz QBTVJBGUYPXUEH-UONOGXRCSA-N -1 1 366.464 3.346 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000523624482 714243937 /nfs/dbraw/zinc/24/39/37/714243937.db2.gz LLJBMAZZWSIKRR-UHFFFAOYSA-N -1 1 368.176 3.201 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000525185992 714328041 /nfs/dbraw/zinc/32/80/41/714328041.db2.gz IZJOFZOOLSCVAO-LBPRGKRZSA-N -1 1 355.803 3.073 20 5 FGBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1F ZINC000725819788 722423465 /nfs/dbraw/zinc/42/34/65/722423465.db2.gz AMVGCHCIBZSRHQ-UHFFFAOYSA-N -1 1 358.778 3.174 20 5 FGBDMM CCc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000725823211 722423741 /nfs/dbraw/zinc/42/37/41/722423741.db2.gz WAGYSEFTHWKEFN-UHFFFAOYSA-N -1 1 360.844 3.351 20 5 FGBDMM CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000729486939 722460043 /nfs/dbraw/zinc/46/00/43/722460043.db2.gz OPCDIUBIDMQLMN-CYBMUJFWSA-N -1 1 369.830 3.463 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C)c(C)c1 ZINC000731782658 722478051 /nfs/dbraw/zinc/47/80/51/722478051.db2.gz JWJTYEMGEQPQOG-UHFFFAOYSA-N -1 1 363.439 3.332 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000734739407 722509518 /nfs/dbraw/zinc/50/95/18/722509518.db2.gz ADCNFUWHFLJICT-UHFFFAOYSA-N -1 1 369.830 3.423 20 5 FGBDMM O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)c1c([O-])cc(F)cc1F ZINC000751658737 722818928 /nfs/dbraw/zinc/81/89/28/722818928.db2.gz WFMFHJFHAWTFII-UHFFFAOYSA-N -1 1 350.233 3.077 20 5 FGBDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1Cl ZINC000753770196 722912104 /nfs/dbraw/zinc/91/21/04/722912104.db2.gz KHQWBZCAKHUXEY-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(F)c([N+](=O)[O-])c3)cc2s1 ZINC000793349268 723427797 /nfs/dbraw/zinc/42/77/97/723427797.db2.gz MYMZXWMIWPDLGX-UHFFFAOYSA-N -1 1 367.383 3.453 20 5 FGBDMM Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769046905 723675521 /nfs/dbraw/zinc/67/55/21/723675521.db2.gz MSCKZNVZUZGQOA-UHFFFAOYSA-N -1 1 364.741 3.058 20 5 FGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 ZINC000769050504 723675708 /nfs/dbraw/zinc/67/57/08/723675708.db2.gz XNCLFDSITDECQW-SECBINFHSA-N -1 1 364.741 3.138 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2cccc(F)c2)cc1Cl ZINC000798226072 723915754 /nfs/dbraw/zinc/91/57/54/723915754.db2.gz XUUYTDHHVQAFKN-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM C[C@H]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000818329977 727307403 /nfs/dbraw/zinc/30/74/03/727307403.db2.gz JTLKQGCZGAYACE-TVQRCGJNSA-N -1 1 357.204 3.042 20 5 FGBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CS1 ZINC000841559511 730256142 /nfs/dbraw/zinc/25/61/42/730256142.db2.gz MDRYQIGECUQWLB-NKWVEPMBSA-N -1 1 371.267 3.074 20 5 FGBDMM CC[C@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000848583340 731185444 /nfs/dbraw/zinc/18/54/44/731185444.db2.gz BJPWSUAGPJAREY-NSHDSACASA-N -1 1 357.338 3.290 20 5 FGBDMM O=C(CSC1CCC(F)(F)CC1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000901734793 743628807 /nfs/dbraw/zinc/62/88/07/743628807.db2.gz XMSKBOMGGJOKSH-UHFFFAOYSA-N -1 1 358.366 3.162 20 5 FGBDMM CC(C)c1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000918192056 758314427 /nfs/dbraw/zinc/31/44/27/758314427.db2.gz YOLRHIYZKHAOCQ-UHFFFAOYSA-N -1 1 366.414 3.378 20 5 FGBDMM CC[C@@]1(C(=O)[O-])CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923473677 759127252 /nfs/dbraw/zinc/12/72/52/759127252.db2.gz UDGUHAYIQOBCSK-OAHLLOKOSA-N -1 1 371.231 3.434 20 5 FGBDMM COc1c(C)ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000031722564 493957142 /nfs/dbraw/zinc/95/71/42/493957142.db2.gz NUQVYPYHICVIJJ-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM C[C@@H](OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000064244421 494109132 /nfs/dbraw/zinc/10/91/32/494109132.db2.gz DACWTYXJIMELQH-GFCCVEGCSA-N -1 1 370.452 3.103 20 5 FGBDMM Cc1ccc(CCC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000010963359 494166398 /nfs/dbraw/zinc/16/63/98/494166398.db2.gz IADYAOXXOBRMCB-UHFFFAOYSA-N -1 1 369.421 3.489 20 5 FGBDMM Cc1ccc(OCCCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066000753 494266360 /nfs/dbraw/zinc/26/63/60/494266360.db2.gz HANTZKTYFDEXAT-UHFFFAOYSA-N -1 1 370.452 3.102 20 5 FGBDMM CC(C)n1c(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[n-]c1=S ZINC000066639852 494373478 /nfs/dbraw/zinc/37/34/78/494373478.db2.gz YKMXKMCSLFSQIX-UHFFFAOYSA-N -1 1 355.807 3.013 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)c([N+](=O)[O-])c1 ZINC000126776367 494836738 /nfs/dbraw/zinc/83/67/38/494836738.db2.gz BLICFXUNQJLYPH-UHFFFAOYSA-N -1 1 352.416 3.016 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000580385077 505745865 /nfs/dbraw/zinc/74/58/65/505745865.db2.gz YPODXLLTWSTMLD-UHFFFAOYSA-N -1 1 362.407 3.283 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000132806508 494927279 /nfs/dbraw/zinc/92/72/79/494927279.db2.gz FPCMWZBRAQKUSW-UHFFFAOYSA-N -1 1 359.363 3.359 20 5 FGBDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000133256183 494990824 /nfs/dbraw/zinc/99/08/24/494990824.db2.gz DUDZZGPSSVYBKG-UHFFFAOYSA-N -1 1 363.395 3.053 20 5 FGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000129617633 495271327 /nfs/dbraw/zinc/27/13/27/495271327.db2.gz PYMAIUSWORADMF-UHFFFAOYSA-N -1 1 359.725 3.048 20 5 FGBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000146516702 495567441 /nfs/dbraw/zinc/56/74/41/495567441.db2.gz SOLZLCXOHXBMOQ-NSHDSACASA-N -1 1 354.815 3.330 20 5 FGBDMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000171013658 495688429 /nfs/dbraw/zinc/68/84/29/495688429.db2.gz PHCQRLLXDZECEB-GFCCVEGCSA-N -1 1 350.396 3.411 20 5 FGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000182860228 495731780 /nfs/dbraw/zinc/73/17/80/495731780.db2.gz QVIXPULCORIJEZ-UHFFFAOYSA-N -1 1 358.741 3.392 20 5 FGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]n1 ZINC000177773332 496190207 /nfs/dbraw/zinc/19/02/07/496190207.db2.gz AEEHAUWAIQDWRD-JTQLQIEISA-N -1 1 352.416 3.331 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c2ncccc12 ZINC000184768221 496523926 /nfs/dbraw/zinc/52/39/26/496523926.db2.gz AIYPGHXVBRPTMQ-UHFFFAOYSA-N -1 1 365.317 3.222 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1[N+](=O)[O-] ZINC000195447796 496925646 /nfs/dbraw/zinc/92/56/46/496925646.db2.gz SNMGPEZHIZZVGA-UHFFFAOYSA-N -1 1 365.392 3.014 20 5 FGBDMM CCOc1cc([N-]C(=O)c2snnc2CC)c([N+](=O)[O-])cc1OCC ZINC000280436548 497753837 /nfs/dbraw/zinc/75/38/37/497753837.db2.gz JRQCRPDLWUQNRE-UHFFFAOYSA-N -1 1 366.399 3.058 20 5 FGBDMM Cc1noc(C)c1[N-]C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000581778143 506066203 /nfs/dbraw/zinc/06/62/03/506066203.db2.gz UUYYKDIEBYMSIE-UHFFFAOYSA-N -1 1 359.260 3.393 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417618125 500126947 /nfs/dbraw/zinc/12/69/47/500126947.db2.gz CPMBPCKESLEDSU-IRXDYDNUSA-N -1 1 356.378 3.396 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000437295980 500625580 /nfs/dbraw/zinc/62/55/80/500625580.db2.gz WBUUPWUQZIEGFZ-IUCAKERBSA-N -1 1 372.390 3.303 20 5 FGBDMM Cc1ccccc1[C@@H](CC(F)(F)F)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444630378 500869618 /nfs/dbraw/zinc/86/96/18/500869618.db2.gz ZVDWENGBVOWMTQ-GFCCVEGCSA-N -1 1 369.299 3.427 20 5 FGBDMM O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccc([O-])cc4F)no3)n2)cc1 ZINC000445454936 500988666 /nfs/dbraw/zinc/98/86/66/500988666.db2.gz NGSULUTZFNBJBJ-UHFFFAOYSA-N -1 1 367.296 3.342 20 5 FGBDMM O=[N+]([O-])c1ccc(-n2ccc(-c3nc(-c4ccc([O-])c(F)c4)no3)n2)cc1 ZINC000445485316 500993625 /nfs/dbraw/zinc/99/36/25/500993625.db2.gz ZCAWUFJQSHCESP-UHFFFAOYSA-N -1 1 367.296 3.342 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436915223 501231888 /nfs/dbraw/zinc/23/18/88/501231888.db2.gz NSAKEJPAMKSFHN-UHFFFAOYSA-N -1 1 373.756 3.300 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915223 501231889 /nfs/dbraw/zinc/23/18/89/501231889.db2.gz NSAKEJPAMKSFHN-UHFFFAOYSA-N -1 1 373.756 3.300 20 5 FGBDMM O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(Br)c([O-])c1 ZINC000485559941 501859690 /nfs/dbraw/zinc/85/96/90/501859690.db2.gz GUXGLQZNZPLFSB-UHFFFAOYSA-N -1 1 365.183 3.035 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c1C ZINC000486561715 502191540 /nfs/dbraw/zinc/19/15/40/502191540.db2.gz DMHNTUMLYKLYDM-UHFFFAOYSA-N -1 1 364.358 3.028 20 5 FGBDMM O=C([O-])c1cc(NS(=O)(=O)c2cccc3ccccc32)cc([N+](=O)[O-])c1 ZINC000484559228 502669227 /nfs/dbraw/zinc/66/92/27/502669227.db2.gz XGBIHOURHNZVSV-UHFFFAOYSA-N -1 1 372.358 3.247 20 5 FGBDMM COC1(C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[O-])CCC1 ZINC000593012533 506334996 /nfs/dbraw/zinc/33/49/96/506334996.db2.gz XYUOIYQLTLCYJA-MRXNPFEDSA-N -1 1 374.393 3.357 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C(C1CCC1)C1CCC1 ZINC000510982818 503230123 /nfs/dbraw/zinc/23/01/23/503230123.db2.gz KGTWSJCDWQJAEK-UHFFFAOYSA-N -1 1 358.847 3.495 20 5 FGBDMM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000511296082 503295311 /nfs/dbraw/zinc/29/53/11/503295311.db2.gz MZQPWBKHVYVGSK-UHFFFAOYSA-N -1 1 364.379 3.217 20 5 FGBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(C)C ZINC000499165628 503347283 /nfs/dbraw/zinc/34/72/83/503347283.db2.gz ANAXOMAZNZHNTF-UHFFFAOYSA-N -1 1 366.395 3.197 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000500144598 503563656 /nfs/dbraw/zinc/56/36/56/503563656.db2.gz BQRDESXAVJMOIM-UHFFFAOYSA-N -1 1 366.395 3.193 20 5 FGBDMM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000516787746 503587482 /nfs/dbraw/zinc/58/74/82/503587482.db2.gz FBNGLAUDWLREMM-SNVBAGLBSA-N -1 1 370.814 3.296 20 5 FGBDMM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000546885347 503914990 /nfs/dbraw/zinc/91/49/90/503914990.db2.gz VJOHXJIKKNZHHG-MRVPVSSYSA-N -1 1 360.741 3.258 20 5 FGBDMM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)c3cccc([N+](=O)[O-])c3)cnc2n1 ZINC000520412201 504492637 /nfs/dbraw/zinc/49/26/37/504492637.db2.gz ZWZJXDNVWQHHGW-NSHDSACASA-N -1 1 352.350 3.043 20 5 FGBDMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)c2=O ZINC000520412201 504492640 /nfs/dbraw/zinc/49/26/40/504492640.db2.gz ZWZJXDNVWQHHGW-NSHDSACASA-N -1 1 352.350 3.043 20 5 FGBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1[O-] ZINC000521356036 504716936 /nfs/dbraw/zinc/71/69/36/504716936.db2.gz KLWLPKMTGVGGGP-UHFFFAOYSA-N -1 1 352.346 3.262 20 5 FGBDMM O=[N+]([O-])c1cc(Br)cc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000560010178 504970110 /nfs/dbraw/zinc/97/01/10/504970110.db2.gz PSNZJDKVHQAVTP-UHFFFAOYSA-N -1 1 357.185 3.158 20 5 FGBDMM CCc1ccc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000567641182 505521763 /nfs/dbraw/zinc/52/17/63/505521763.db2.gz UCVDCEHLNRIUOK-HNNXBMFYSA-N -1 1 355.394 3.278 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000589186974 506475591 /nfs/dbraw/zinc/47/55/91/506475591.db2.gz NQQPGFKPTHAHJP-GGPKGHCWSA-N -1 1 354.406 3.305 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000593737863 506753718 /nfs/dbraw/zinc/75/37/18/506753718.db2.gz XKKGRNDRIBFDRC-CQSZACIVSA-N -1 1 358.369 3.497 20 5 FGBDMM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000604467329 506838859 /nfs/dbraw/zinc/83/88/59/506838859.db2.gz WGCMJYNLASYCPZ-UHFFFAOYSA-N -1 1 370.346 3.094 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)c(Cl)c1 ZINC000590597568 506874462 /nfs/dbraw/zinc/87/44/62/506874462.db2.gz DMKDUHWMVZDAKO-UHFFFAOYSA-N -1 1 363.178 3.408 20 5 FGBDMM O=C([O-])c1cccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000617338540 598194444 /nfs/dbraw/zinc/19/44/44/598194444.db2.gz ZOCSZKDWNCUYEH-UHFFFAOYSA-N -1 1 352.293 3.184 20 5 FGBDMM CN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830852871 601903240 /nfs/dbraw/zinc/90/32/40/601903240.db2.gz VVMDZWYBDKQHJM-OAHLLOKOSA-N -1 1 354.284 3.270 20 5 FGBDMM CC[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000820925593 606644713 /nfs/dbraw/zinc/64/47/13/606644713.db2.gz KCEQYPNVGVZBGD-OAHLLOKOSA-N -1 1 354.370 3.347 20 5 FGBDMM CN(C)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000077673562 700261297 /nfs/dbraw/zinc/26/12/97/700261297.db2.gz HKOKWLRHKDYREP-UHFFFAOYSA-N -1 1 355.803 3.115 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc([N+](=O)[O-])c1F ZINC000131557099 700816897 /nfs/dbraw/zinc/81/68/97/700816897.db2.gz KRGBJCVPFHJBRZ-UHFFFAOYSA-N -1 1 367.383 3.453 20 5 FGBDMM CCC(CC)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000134378565 704821996 /nfs/dbraw/zinc/82/19/96/704821996.db2.gz NGCRMBROAATIEK-UHFFFAOYSA-N -1 1 365.249 3.072 20 5 FGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 ZINC000159865569 705236325 /nfs/dbraw/zinc/23/63/25/705236325.db2.gz YDIVITUINKZXLM-SECBINFHSA-N -1 1 356.379 3.161 20 5 FGBDMM O=C([N-]c1ccc(Br)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])o1 ZINC000180622687 705750763 /nfs/dbraw/zinc/75/07/63/705750763.db2.gz JQDMKZQACXOYEE-UHFFFAOYSA-N -1 1 356.088 3.111 20 5 FGBDMM CCc1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000525386539 714348682 /nfs/dbraw/zinc/34/86/82/714348682.db2.gz UJRHDUBWNCQRDE-UHFFFAOYSA-N -1 1 354.815 3.289 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(F)ccc1F ZINC000729490511 722460075 /nfs/dbraw/zinc/46/00/75/722460075.db2.gz JSSQSBGXKPPCCZ-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)cc1[N+](=O)[O-] ZINC000762586130 723258411 /nfs/dbraw/zinc/25/84/11/723258411.db2.gz BXGRIXQZEAMRMC-UHFFFAOYSA-N -1 1 361.423 3.086 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1C ZINC000766584269 723582358 /nfs/dbraw/zinc/58/23/58/723582358.db2.gz KJJHKBHFJXQDKV-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])c(Cl)c3)ccc2O1 ZINC000768881715 723670847 /nfs/dbraw/zinc/67/08/47/723670847.db2.gz JGDJABLIPCPZMB-SECBINFHSA-N -1 1 368.798 3.372 20 5 FGBDMM C[C@H](CC(=O)[O-])c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768892403 723671417 /nfs/dbraw/zinc/67/14/17/723671417.db2.gz SDBZODSJDYDNSR-SECBINFHSA-N -1 1 370.408 3.035 20 5 FGBDMM Cc1oc2ccccc2c1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768900825 723671635 /nfs/dbraw/zinc/67/16/35/723671635.db2.gz NUISYLUCMOFBMF-UHFFFAOYSA-N -1 1 352.393 3.189 20 5 FGBDMM Cc1c([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c(F)ccc1[N+](=O)[O-] ZINC000800147991 724155058 /nfs/dbraw/zinc/15/50/58/724155058.db2.gz DGFFFWAVEUFREE-UHFFFAOYSA-N -1 1 355.228 3.481 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c(Cl)n1 ZINC000800930595 724250115 /nfs/dbraw/zinc/25/01/15/724250115.db2.gz OGEXQDDNCNXXAW-UHFFFAOYSA-N -1 1 362.194 3.406 20 5 FGBDMM COc1cc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)cc(Cl)c1[O-] ZINC000785626750 724926759 /nfs/dbraw/zinc/92/67/59/724926759.db2.gz XVCWATDWJJSJTF-UHFFFAOYSA-N -1 1 362.769 3.474 20 5 FGBDMM Cc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000805143211 725052891 /nfs/dbraw/zinc/05/28/91/725052891.db2.gz GEECNYAMRSNSNT-LLVKDONJSA-N -1 1 354.762 3.023 20 5 FGBDMM CC[C@H](CSC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829985 725271681 /nfs/dbraw/zinc/27/16/81/725271681.db2.gz PNLOKOSIJCTCNA-SSDOTTSWSA-N -1 1 373.283 3.322 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCSC2)c1Cl ZINC000830787314 729593623 /nfs/dbraw/zinc/59/36/23/729593623.db2.gz SZLQDKHANLRHES-SSDOTTSWSA-N -1 1 371.267 3.076 20 5 FGBDMM CC[C@@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000848584157 731185956 /nfs/dbraw/zinc/18/59/56/731185956.db2.gz PKPITOUQOVJWCH-LLVKDONJSA-N -1 1 357.338 3.290 20 5 FGBDMM CC(C)c1ccc(CN2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000901965521 743688594 /nfs/dbraw/zinc/68/85/94/743688594.db2.gz LUDFTEPFWORBGF-STQMWFEESA-N -1 1 360.332 3.413 20 5 FGBDMM O=C([O-])c1cnc([C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)s1 ZINC000905748333 744051415 /nfs/dbraw/zinc/05/14/15/744051415.db2.gz FYTHUFCPJVXKQO-SECBINFHSA-N -1 1 367.814 3.392 20 5 FGBDMM O=C([O-])c1cnc([C@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)s1 ZINC000905749722 744051971 /nfs/dbraw/zinc/05/19/71/744051971.db2.gz NARRFSNNCGPMIE-VIFPVBQESA-N -1 1 367.814 3.392 20 5 FGBDMM CC[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000918191072 758313720 /nfs/dbraw/zinc/31/37/20/758313720.db2.gz HDYAJHCHCYAFDE-GFCCVEGCSA-N -1 1 352.387 3.206 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)s1 ZINC000064240965 494108362 /nfs/dbraw/zinc/10/83/62/494108362.db2.gz VRXPTSFIPQFEHB-UHFFFAOYSA-N -1 1 367.235 3.442 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000032586474 493996955 /nfs/dbraw/zinc/99/69/55/493996955.db2.gz NWHZMRWCJMKDOC-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1OC ZINC000007323430 494016002 /nfs/dbraw/zinc/01/60/02/494016002.db2.gz XEKMEKBEUJHFNB-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1F ZINC000055619110 494374217 /nfs/dbraw/zinc/37/42/17/494374217.db2.gz QFVSBENCBKPQEM-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1O ZINC000126090197 494633492 /nfs/dbraw/zinc/63/34/92/494633492.db2.gz JVCVFLGBCTWVAC-UHFFFAOYSA-N -1 1 356.787 3.371 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(C)[nH]nc2c1 ZINC000093909402 494934228 /nfs/dbraw/zinc/93/42/28/494934228.db2.gz WFRBNNONHCVQFR-UHFFFAOYSA-N -1 1 360.395 3.143 20 5 FGBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCc1n[n-]c(=S)n1C1CC1 ZINC000094122016 494951349 /nfs/dbraw/zinc/95/13/49/494951349.db2.gz UWVMFNBUVKMYTN-UHFFFAOYSA-N -1 1 361.427 3.039 20 5 FGBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(-c3ccc(C)cc3C)s2)c1[N+](=O)[O-] ZINC000122291571 494952987 /nfs/dbraw/zinc/95/29/87/494952987.db2.gz ZPIOJVFKHIECJQ-UHFFFAOYSA-N -1 1 372.410 3.024 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000102748782 495158817 /nfs/dbraw/zinc/15/88/17/495158817.db2.gz TZHYSYXCDLXDRB-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM O=C(Nc1cc(Br)ccc1[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC000136991633 495416145 /nfs/dbraw/zinc/41/61/45/495416145.db2.gz SHKRYHJTBDHVBH-UHFFFAOYSA-N -1 1 355.119 3.454 20 5 FGBDMM CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185684815 495678359 /nfs/dbraw/zinc/67/83/59/495678359.db2.gz MZELLMLZUBYTRA-LLVKDONJSA-N -1 1 369.381 3.117 20 5 FGBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Sc1ccccc1 ZINC000173782042 495689752 /nfs/dbraw/zinc/68/97/52/495689752.db2.gz RUBKVVMZZQTWSG-JTQLQIEISA-N -1 1 358.466 3.115 20 5 FGBDMM CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@@H]1c1ccccc1 ZINC000174094372 495818472 /nfs/dbraw/zinc/81/84/72/495818472.db2.gz IAGRNNRVQNLDOH-CJNGLKHVSA-N -1 1 355.394 3.351 20 5 FGBDMM CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1C(C)C ZINC000156111134 496160781 /nfs/dbraw/zinc/16/07/81/496160781.db2.gz LUIVKNKCMUYHMT-UHFFFAOYSA-N -1 1 353.356 3.197 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)cc1[N+](=O)[O-] ZINC000175009513 496204722 /nfs/dbraw/zinc/20/47/22/496204722.db2.gz PWFUXXIXYIMXTF-UHFFFAOYSA-N -1 1 360.391 3.223 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000187066790 496277021 /nfs/dbraw/zinc/27/70/21/496277021.db2.gz YKZHPSBHOLTGHN-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM CCC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000187185250 496329762 /nfs/dbraw/zinc/32/97/62/496329762.db2.gz YQTBZYSXRYZUFQ-ZDUSSCGKSA-N -1 1 351.309 3.245 20 5 FGBDMM CC(C)(C)OC(=O)N1CCC(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CC1 ZINC000273950348 496969807 /nfs/dbraw/zinc/96/98/07/496969807.db2.gz OBFRKXKMDWMIDN-UHFFFAOYSA-N -1 1 363.374 3.087 20 5 FGBDMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000190399190 497464424 /nfs/dbraw/zinc/46/44/24/497464424.db2.gz QUKNARTTZLTQOD-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000330550579 498150883 /nfs/dbraw/zinc/15/08/83/498150883.db2.gz WVHHMFHYRQXNPS-UHFFFAOYSA-N -1 1 354.762 3.104 20 5 FGBDMM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc1[N+](=O)[O-] ZINC000326423187 498843249 /nfs/dbraw/zinc/84/32/49/498843249.db2.gz PZRNSSWKMCWGCU-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@](F)(c2ccccc2Cl)C1 ZINC000367343911 499184997 /nfs/dbraw/zinc/18/49/97/499184997.db2.gz QPQMDNXONDEWQE-INIZCTEOSA-N -1 1 365.748 3.060 20 5 FGBDMM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000377173874 499668002 /nfs/dbraw/zinc/66/80/02/499668002.db2.gz BICIZDUECMNWRZ-UHFFFAOYSA-N -1 1 360.276 3.484 20 5 FGBDMM CCCc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1ccc(F)cc1 ZINC000430168856 500203375 /nfs/dbraw/zinc/20/33/75/500203375.db2.gz OPVPOMCYAITWAD-UHFFFAOYSA-N -1 1 357.345 3.453 20 5 FGBDMM CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445004963 500931567 /nfs/dbraw/zinc/93/15/67/500931567.db2.gz BKEDDDUHAHLCGD-LBPRGKRZSA-N -1 1 359.382 3.111 20 5 FGBDMM O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(Br)ccc1[O-] ZINC000436570254 501159655 /nfs/dbraw/zinc/15/96/55/501159655.db2.gz OEHZRGCPFHTKMD-UHFFFAOYSA-N -1 1 365.183 3.035 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCCCC1(F)F ZINC000451640045 501341618 /nfs/dbraw/zinc/34/16/18/501341618.db2.gz JQOPYSXJPBLBKB-SECBINFHSA-N -1 1 368.789 3.352 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000481942263 501924305 /nfs/dbraw/zinc/92/43/05/501924305.db2.gz CHRPWYNUDDDGIF-UHFFFAOYSA-N -1 1 372.349 3.348 20 5 FGBDMM O=C(NCc1ccccc1Oc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484255236 502608553 /nfs/dbraw/zinc/60/85/53/502608553.db2.gz BWOKEEIHLACZCF-UHFFFAOYSA-N -1 1 365.345 3.418 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)c(F)c1 ZINC000490002507 503087304 /nfs/dbraw/zinc/08/73/04/503087304.db2.gz MFECWQGMLHWJBT-JTQLQIEISA-N -1 1 366.361 3.228 20 5 FGBDMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491578783 503320936 /nfs/dbraw/zinc/32/09/36/503320936.db2.gz JZHXVHREOOMICA-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000491604579 503323786 /nfs/dbraw/zinc/32/37/86/503323786.db2.gz NPDCQUVTXHXNML-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(F)c(F)c1 ZINC000516363945 503502186 /nfs/dbraw/zinc/50/21/86/503502186.db2.gz OJGZWIQTUSYDKQ-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1C(F)(F)F ZINC000509080550 503637249 /nfs/dbraw/zinc/63/72/49/503637249.db2.gz GJYMPKHADIDODE-QMMMGPOBSA-N -1 1 355.272 3.205 20 5 FGBDMM CCOC(=O)c1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c([O-])c1 ZINC000516987038 503638753 /nfs/dbraw/zinc/63/87/53/503638753.db2.gz ZKUUWOHXZBYJEN-UHFFFAOYSA-N -1 1 364.741 3.383 20 5 FGBDMM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000541072651 503997051 /nfs/dbraw/zinc/99/70/51/503997051.db2.gz PCHZHPRUEHJQRQ-UHFFFAOYSA-N -1 1 350.396 3.430 20 5 FGBDMM CC(C)(C)n1cnc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000544107170 504010136 /nfs/dbraw/zinc/01/01/36/504010136.db2.gz POUBHGJGLRYGAF-UHFFFAOYSA-N -1 1 357.292 3.212 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1F ZINC000544640369 504201325 /nfs/dbraw/zinc/20/13/25/504201325.db2.gz WGRHBWDSZSCXAT-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc2c(cc1Cl)OCO2 ZINC000536107594 504636160 /nfs/dbraw/zinc/63/61/60/504636160.db2.gz KBVIRJIZPXKWND-UHFFFAOYSA-N -1 1 370.770 3.086 20 5 FGBDMM CCc1oc(C(=O)[O-])cc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000566362041 505153457 /nfs/dbraw/zinc/15/34/57/505153457.db2.gz NFBRZVURZIYOHY-UHFFFAOYSA-N -1 1 374.393 3.492 20 5 FGBDMM COc1ccc(OCCSc2nc(C(F)F)cc(=O)[n-]2)c([N+](=O)[O-])c1 ZINC000554944401 505306296 /nfs/dbraw/zinc/30/62/96/505306296.db2.gz POPLJMSJQDBGDR-UHFFFAOYSA-N -1 1 373.337 3.208 20 5 FGBDMM Cc1ccc(C2(c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)CCOCC2)cc1 ZINC000558390957 505374094 /nfs/dbraw/zinc/37/40/94/505374094.db2.gz CYDNNCHWJGTDGM-UHFFFAOYSA-N -1 1 354.366 3.378 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1c(F)cccc1F ZINC000604042402 506696509 /nfs/dbraw/zinc/69/65/09/506696509.db2.gz SKDDNGCAIRECSJ-MRVPVSSYSA-N -1 1 360.313 3.052 20 5 FGBDMM CCC1(CC)[C@H]([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000593743544 506757448 /nfs/dbraw/zinc/75/74/48/506757448.db2.gz IYHUPSDJHZVKCN-CVEARBPZSA-N -1 1 350.415 3.319 20 5 FGBDMM CCC1(CC)[C@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1OC ZINC000593743544 506757454 /nfs/dbraw/zinc/75/74/54/506757454.db2.gz IYHUPSDJHZVKCN-CVEARBPZSA-N -1 1 350.415 3.319 20 5 FGBDMM CCc1nc(SCc2cc(C(=O)OC)ccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000594903627 507309429 /nfs/dbraw/zinc/30/94/29/507309429.db2.gz KOEYJVMIYKKUTR-UHFFFAOYSA-N -1 1 363.395 3.040 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000598733465 507571979 /nfs/dbraw/zinc/57/19/79/507571979.db2.gz DWTJQJDCCLSCQL-UHFFFAOYSA-N -1 1 364.427 3.393 20 5 FGBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1[O-] ZINC000588099160 507761485 /nfs/dbraw/zinc/76/14/85/507761485.db2.gz JGXSAEFABXDZIV-UHFFFAOYSA-N -1 1 364.741 3.301 20 5 FGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1sccc1-c1nn[n-]n1 ZINC000737265517 599302310 /nfs/dbraw/zinc/30/23/10/599302310.db2.gz WHYMFPSRJURUCS-UHFFFAOYSA-N -1 1 365.758 3.017 20 5 FGBDMM CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825148841 607449836 /nfs/dbraw/zinc/44/98/36/607449836.db2.gz UQMJJFPQSDFNBF-HNNXBMFYSA-N -1 1 354.370 3.347 20 5 FGBDMM CC[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825148841 607449839 /nfs/dbraw/zinc/44/98/39/607449839.db2.gz UQMJJFPQSDFNBF-HNNXBMFYSA-N -1 1 354.370 3.347 20 5 FGBDMM COc1ccc([C@@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)[O-])cc1 ZINC000832253160 604789101 /nfs/dbraw/zinc/78/91/01/604789101.db2.gz VICGFHWEWPDINR-OAHLLOKOSA-N -1 1 350.758 3.172 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000823634101 606442137 /nfs/dbraw/zinc/44/21/37/606442137.db2.gz ASHSUXDCVMJQRO-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000823634101 606442138 /nfs/dbraw/zinc/44/21/38/606442138.db2.gz ASHSUXDCVMJQRO-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000174071950 705485317 /nfs/dbraw/zinc/48/53/17/705485317.db2.gz UWNQNHPEVZDVNJ-SECBINFHSA-N -1 1 352.865 3.058 20 5 FGBDMM CCCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000194225840 713514832 /nfs/dbraw/zinc/51/48/32/713514832.db2.gz QCLCZOFYMUENHY-UHFFFAOYSA-N -1 1 350.396 3.493 20 5 FGBDMM O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000521778511 714148227 /nfs/dbraw/zinc/14/82/27/714148227.db2.gz DZSOGIFRUXQOFX-UHFFFAOYSA-N -1 1 358.335 3.027 20 5 FGBDMM Cn1c(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc2cc(Cl)ccc21 ZINC000780073009 724445207 /nfs/dbraw/zinc/44/52/07/724445207.db2.gz WPTFJKHMKVRJGV-UHFFFAOYSA-N -1 1 361.741 3.198 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(c2ccccc2)CC1 ZINC000725820962 722423528 /nfs/dbraw/zinc/42/35/28/722423528.db2.gz WLTJTDSBPHBENU-UHFFFAOYSA-N -1 1 366.826 3.258 20 5 FGBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000725826356 722423996 /nfs/dbraw/zinc/42/39/96/722423996.db2.gz DKAGAQORAZDLKW-JTQLQIEISA-N -1 1 372.805 3.469 20 5 FGBDMM C[C@]1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCc2ccccc21 ZINC000725837833 722424416 /nfs/dbraw/zinc/42/44/16/722424416.db2.gz LIHFLRGSWVEZDY-KRWDZBQOSA-N -1 1 364.398 3.264 20 5 FGBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccn1 ZINC000736635634 722523954 /nfs/dbraw/zinc/52/39/54/722523954.db2.gz PMUSNBXVAGNKAD-OAHLLOKOSA-N -1 1 369.830 3.319 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000758458166 722990151 /nfs/dbraw/zinc/99/01/51/722990151.db2.gz DEVUNGKOTZPLLB-HNNXBMFYSA-N -1 1 367.814 3.073 20 5 FGBDMM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000769088540 723676548 /nfs/dbraw/zinc/67/65/48/723676548.db2.gz SQTCEQREIMHUCM-MRVPVSSYSA-N -1 1 360.757 3.321 20 5 FGBDMM Cc1ccsc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000773344916 723783240 /nfs/dbraw/zinc/78/32/40/723783240.db2.gz OXWFOWYDRAHUNA-UHFFFAOYSA-N -1 1 360.844 3.139 20 5 FGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C1CC1)C(F)(F)F ZINC000808327880 725194368 /nfs/dbraw/zinc/19/43/68/725194368.db2.gz HSAJUFQLPFSRIB-LLVKDONJSA-N -1 1 372.752 3.176 20 5 FGBDMM O=C([N-]c1nc2ccc(F)cn2n1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813033718 726831892 /nfs/dbraw/zinc/83/18/92/726831892.db2.gz IJOJEOWWVHQGAZ-UHFFFAOYSA-N -1 1 370.127 3.336 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccncc1 ZINC000815017939 727020309 /nfs/dbraw/zinc/02/03/09/727020309.db2.gz AGGFHDFNXCOTLG-GFCCVEGCSA-N -1 1 373.793 3.212 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000815018823 727020728 /nfs/dbraw/zinc/02/07/28/727020728.db2.gz CDMIHZPRRFCYCJ-UHFFFAOYSA-N -1 1 362.810 3.102 20 5 FGBDMM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815033834 727023985 /nfs/dbraw/zinc/02/39/85/727023985.db2.gz VAGRTHCWBAYFMB-MRVPVSSYSA-N -1 1 350.799 3.244 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000815038645 727024629 /nfs/dbraw/zinc/02/46/29/727024629.db2.gz LRSSWURZGRINON-UHFFFAOYSA-N -1 1 362.810 3.388 20 5 FGBDMM O=C([N-]c1nnc(C(F)(F)F)s1)c1cccc([N+](=O)[O-])c1Cl ZINC000816854353 727201112 /nfs/dbraw/zinc/20/11/12/727201112.db2.gz JOCWTIBGAJMKFR-UHFFFAOYSA-N -1 1 352.681 3.371 20 5 FGBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)cc1[N+](=O)[O-] ZINC000842586881 730516146 /nfs/dbraw/zinc/51/61/46/730516146.db2.gz YYPBCDBPORITQA-SNVBAGLBSA-N -1 1 368.386 3.150 20 5 FGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccc2c1OCCC2 ZINC000844831756 730776454 /nfs/dbraw/zinc/77/64/54/730776454.db2.gz VLMXHYLJJXVMGB-UHFFFAOYSA-N -1 1 366.370 3.168 20 5 FGBDMM CO[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl)C1CCCC1 ZINC000849337126 731249547 /nfs/dbraw/zinc/24/95/47/731249547.db2.gz MQFNXPYZXZTAAJ-CYBMUJFWSA-N -1 1 362.835 3.195 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H]1CC1(Cl)Cl ZINC000856748998 732053336 /nfs/dbraw/zinc/05/33/36/732053336.db2.gz BDYVVCLVRMZZSY-ZETCQYMHSA-N -1 1 373.645 3.110 20 5 FGBDMM Cc1nc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)sc1C(=O)[O-] ZINC000872165074 735598509 /nfs/dbraw/zinc/59/85/09/735598509.db2.gz ODHWBYIEYGLPQB-UHFFFAOYSA-N -1 1 361.423 3.438 20 5 FGBDMM O=C([O-])[C@]1(F)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000901514272 743293857 /nfs/dbraw/zinc/29/38/57/743293857.db2.gz DTOSSIXDGZMOKC-INIZCTEOSA-N -1 1 350.371 3.322 20 5 FGBDMM CC[C@@]1(C(=O)[O-])CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000903785923 743883604 /nfs/dbraw/zinc/88/36/04/743883604.db2.gz BNPYMJIQDJIISQ-OAHLLOKOSA-N -1 1 371.231 3.434 20 5 FGBDMM Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000022356713 257334616 /nfs/dbraw/zinc/33/46/16/257334616.db2.gz RSZAAJLSDCWGHY-UHFFFAOYSA-N -1 1 368.389 3.344 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000579895357 505639271 /nfs/dbraw/zinc/63/92/71/505639271.db2.gz BKMVEWXLMNKVQL-UHFFFAOYSA-N -1 1 370.337 3.067 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000005126791 493914258 /nfs/dbraw/zinc/91/42/58/493914258.db2.gz HJUGUVSLVUEOQD-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])c([O-])c3)[nH]c2c1 ZINC000061633058 493987312 /nfs/dbraw/zinc/98/73/12/493987312.db2.gz HWFGGTJKGFENFL-INIZCTEOSA-N -1 1 366.377 3.462 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000055598491 494370262 /nfs/dbraw/zinc/37/02/62/494370262.db2.gz JXGYAWPHGSGJRP-UHFFFAOYSA-N -1 1 358.322 3.305 20 5 FGBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000134541862 495165318 /nfs/dbraw/zinc/16/53/18/495165318.db2.gz ZVKMSZPUNXSSTI-UHFFFAOYSA-N -1 1 361.305 3.096 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCc2cc(F)ccc21 ZINC000119584387 495195370 /nfs/dbraw/zinc/19/53/70/495195370.db2.gz NTYNLAUWRSLMFW-ZDUSSCGKSA-N -1 1 370.789 3.353 20 5 FGBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000158685971 495567600 /nfs/dbraw/zinc/56/76/00/495567600.db2.gz ZBPFRKKRDNQAGJ-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM COCc1cccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000180159757 495885385 /nfs/dbraw/zinc/88/53/85/495885385.db2.gz ZYWFAZOTXCMCPC-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)c([N+](=O)[O-])c1 ZINC000161063596 496095885 /nfs/dbraw/zinc/09/58/85/496095885.db2.gz WTOVMQZJOSZNIA-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM COc1cccc(-c2nc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])[nH]2)c1 ZINC000180770264 496139932 /nfs/dbraw/zinc/13/99/32/496139932.db2.gz XHGYWOTUEKBCPQ-UHFFFAOYSA-N -1 1 368.349 3.260 20 5 FGBDMM CCCc1ccccc1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000187263436 496366650 /nfs/dbraw/zinc/36/66/50/496366650.db2.gz BUZQUHHIRSRZFL-UHFFFAOYSA-N -1 1 368.386 3.496 20 5 FGBDMM O=C(Nc1ccc(Cl)cc1[O-])c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153599172 496512393 /nfs/dbraw/zinc/51/23/93/496512393.db2.gz CMNHTWDWGZPZQU-UHFFFAOYSA-N -1 1 358.741 3.392 20 5 FGBDMM CN(CCc1cccc2ccccc21)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188346663 496758777 /nfs/dbraw/zinc/75/87/77/496758777.db2.gz VQWYSRJFEPTHSE-UHFFFAOYSA-N -1 1 351.362 3.163 20 5 FGBDMM O=C(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000275148776 497244785 /nfs/dbraw/zinc/24/47/85/497244785.db2.gz VIHKHKWJVPSIAL-JTQLQIEISA-N -1 1 365.773 3.244 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])c1nccs1 ZINC000189982186 497314531 /nfs/dbraw/zinc/31/45/31/497314531.db2.gz DNDPAJSGANXSEW-LLVKDONJSA-N -1 1 355.441 3.098 20 5 FGBDMM Cn1ccc2ccc([N-]c3sc(S(C)(=O)=O)cc3[N+](=O)[O-])cc21 ZINC000302696190 498535665 /nfs/dbraw/zinc/53/56/65/498535665.db2.gz WKOQGXNUCYEDGR-UHFFFAOYSA-N -1 1 351.409 3.295 20 5 FGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000581964186 506101151 /nfs/dbraw/zinc/10/11/51/506101151.db2.gz BIKUMGHPSGKVQV-HOTGVXAUSA-N -1 1 371.393 3.014 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000367350251 499186564 /nfs/dbraw/zinc/18/65/64/499186564.db2.gz SZIJOBVXAAKPBJ-MRXNPFEDSA-N -1 1 365.748 3.060 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c([N+](=O)[O-])c1 ZINC000431635611 500400942 /nfs/dbraw/zinc/40/09/42/500400942.db2.gz LKOGOXAHTAMCKF-AWEZNQCLSA-N -1 1 356.350 3.188 20 5 FGBDMM COc1cc(C)cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000447273080 500583224 /nfs/dbraw/zinc/58/32/24/500583224.db2.gz ZCJVJGQFABQJMS-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000437295973 500625380 /nfs/dbraw/zinc/62/53/80/500625380.db2.gz WBUUPWUQZIEGFZ-BDAKNGLRSA-N -1 1 372.390 3.303 20 5 FGBDMM CC(C)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000437344395 500633719 /nfs/dbraw/zinc/63/37/19/500633719.db2.gz SGRVVOKRUKVMNL-CYBMUJFWSA-N -1 1 372.443 3.341 20 5 FGBDMM O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445186652 500953095 /nfs/dbraw/zinc/95/30/95/500953095.db2.gz SDOSISHCNAKXAZ-CMPLNLGQSA-N -1 1 367.283 3.000 20 5 FGBDMM COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC000436505191 501142389 /nfs/dbraw/zinc/14/23/89/501142389.db2.gz PJUXKLZBMLMVCQ-UHFFFAOYSA-N -1 1 358.350 3.463 20 5 FGBDMM CCCn1ncc([N-]c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])c1C1CC1 ZINC000450638693 501172217 /nfs/dbraw/zinc/17/22/17/501172217.db2.gz JINFUFWVQNNGBJ-UHFFFAOYSA-N -1 1 359.386 3.312 20 5 FGBDMM Cc1ccc(-c2cc(=NC(=O)CCc3cccc([N+](=O)[O-])c3)[nH][n-]2)s1 ZINC000446872727 501176127 /nfs/dbraw/zinc/17/61/27/501176127.db2.gz UQMFLDNNRYIELS-UHFFFAOYSA-N -1 1 356.407 3.348 20 5 FGBDMM O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000478975663 502133755 /nfs/dbraw/zinc/13/37/55/502133755.db2.gz KQSMDEOCDRTUEU-UHFFFAOYSA-N -1 1 363.223 3.378 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)cc1C ZINC000486567424 502192703 /nfs/dbraw/zinc/19/27/03/502192703.db2.gz WUOWVUATCUOISQ-UHFFFAOYSA-N -1 1 364.358 3.028 20 5 FGBDMM COCCc1ccccc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000466420493 502566683 /nfs/dbraw/zinc/56/66/83/502566683.db2.gz BNBQZVQTLJMNOQ-UHFFFAOYSA-N -1 1 364.423 3.201 20 5 FGBDMM C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000476952329 502632135 /nfs/dbraw/zinc/63/21/35/502632135.db2.gz NRKXYSVMLVVSNZ-VIFPVBQESA-N -1 1 360.844 3.219 20 5 FGBDMM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000510683720 503171975 /nfs/dbraw/zinc/17/19/75/503171975.db2.gz RGWZPEDAAUUALQ-UHFFFAOYSA-N -1 1 373.818 3.067 20 5 FGBDMM COc1ccc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 ZINC000516130580 503452226 /nfs/dbraw/zinc/45/22/26/503452226.db2.gz IXFSNQFSAWXVBC-LBPRGKRZSA-N -1 1 371.393 3.145 20 5 FGBDMM COc1ccc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 ZINC000516130579 503452429 /nfs/dbraw/zinc/45/24/29/503452429.db2.gz IXFSNQFSAWXVBC-GFCCVEGCSA-N -1 1 371.393 3.145 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c(F)cc(C(C)=O)cc1F ZINC000538541115 504278714 /nfs/dbraw/zinc/27/87/14/504278714.db2.gz VHGCHSMVCAYCQX-UHFFFAOYSA-N -1 1 350.277 3.337 20 5 FGBDMM Cc1ccc2c([O-])c(C(=O)N[C@H](C)c3cccc([N+](=O)[O-])c3)cnc2n1 ZINC000520412200 504492058 /nfs/dbraw/zinc/49/20/58/504492058.db2.gz ZWZJXDNVWQHHGW-LLVKDONJSA-N -1 1 352.350 3.043 20 5 FGBDMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)c2=O ZINC000520412200 504492061 /nfs/dbraw/zinc/49/20/61/504492061.db2.gz ZWZJXDNVWQHHGW-LLVKDONJSA-N -1 1 352.350 3.043 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000536459431 504740089 /nfs/dbraw/zinc/74/00/89/504740089.db2.gz LNOUMFOTICCLIW-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM CCN(CCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1)CCC(F)(F)F ZINC000563625675 505195424 /nfs/dbraw/zinc/19/54/24/505195424.db2.gz SUMRMDLAAZLLGH-UHFFFAOYSA-N -1 1 363.336 3.288 20 5 FGBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ccccc3F)c2C)n1 ZINC000561281024 505302919 /nfs/dbraw/zinc/30/29/19/505302919.db2.gz ADQXILFKIIJSRO-UHFFFAOYSA-N -1 1 371.328 3.153 20 5 FGBDMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000603983060 506679461 /nfs/dbraw/zinc/67/94/61/506679461.db2.gz GJETWCGJXUQRKZ-UHFFFAOYSA-N -1 1 350.396 3.491 20 5 FGBDMM C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743582 506757657 /nfs/dbraw/zinc/75/76/57/506757657.db2.gz KEOVFBHWXITHJM-XIKOKIGWSA-N -1 1 356.378 3.117 20 5 FGBDMM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743582 506757662 /nfs/dbraw/zinc/75/76/62/506757662.db2.gz KEOVFBHWXITHJM-XIKOKIGWSA-N -1 1 356.378 3.117 20 5 FGBDMM CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743545 506757927 /nfs/dbraw/zinc/75/79/27/506757927.db2.gz IYHUPSDJHZVKCN-HOTGVXAUSA-N -1 1 350.415 3.319 20 5 FGBDMM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743545 506757930 /nfs/dbraw/zinc/75/79/30/506757930.db2.gz IYHUPSDJHZVKCN-HOTGVXAUSA-N -1 1 350.415 3.319 20 5 FGBDMM CO[C@H](C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-])C1CC1 ZINC000593949138 506843251 /nfs/dbraw/zinc/84/32/51/506843251.db2.gz WQLCKWICCGXSMY-FUHWJXTLSA-N -1 1 374.393 3.213 20 5 FGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000610259577 507165211 /nfs/dbraw/zinc/16/52/11/507165211.db2.gz IIBUYLUKYBLRKU-AWEZNQCLSA-N -1 1 367.814 3.073 20 5 FGBDMM CO[C@@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C)C1CCCCC1 ZINC000594696234 507241766 /nfs/dbraw/zinc/24/17/66/507241766.db2.gz MMGIYDGBJYYIGT-INIZCTEOSA-N -1 1 356.444 3.240 20 5 FGBDMM C[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N1CCc2sccc2C1 ZINC000584369772 507307974 /nfs/dbraw/zinc/30/79/74/507307974.db2.gz OVIDPRCRKAXVHU-NSHDSACASA-N -1 1 361.423 3.213 20 5 FGBDMM Cc1cnc([C@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C2CC2)s1 ZINC000826317995 607452587 /nfs/dbraw/zinc/45/25/87/607452587.db2.gz RUSVTEZJZAKKBT-CYBMUJFWSA-N -1 1 357.399 3.103 20 5 FGBDMM Cc1cnc([C@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C2CC2)s1 ZINC000826317995 607452589 /nfs/dbraw/zinc/45/25/89/607452589.db2.gz RUSVTEZJZAKKBT-CYBMUJFWSA-N -1 1 357.399 3.103 20 5 FGBDMM Cc1cc(Cl)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000753057894 601782124 /nfs/dbraw/zinc/78/21/24/601782124.db2.gz BPVRDFSSPWFMOP-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822200799 606178716 /nfs/dbraw/zinc/17/87/16/606178716.db2.gz BGFOYOHGGCKREV-UHFFFAOYSA-N -1 1 365.758 3.017 20 5 FGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822200799 606178717 /nfs/dbraw/zinc/17/87/17/606178717.db2.gz BGFOYOHGGCKREV-UHFFFAOYSA-N -1 1 365.758 3.017 20 5 FGBDMM CCN(c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1)C(C)C ZINC000821241182 607160774 /nfs/dbraw/zinc/16/07/74/607160774.db2.gz KROSHOCLQCVMNU-UHFFFAOYSA-N -1 1 368.401 3.148 20 5 FGBDMM Cc1cc([C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C2CC2)ccc1F ZINC000826262561 607968888 /nfs/dbraw/zinc/96/88/88/607968888.db2.gz RZYCKKMECGATNO-CQSZACIVSA-N -1 1 369.360 3.181 20 5 FGBDMM Cc1cc([C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C2CC2)ccc1F ZINC000826262561 607968889 /nfs/dbraw/zinc/96/88/89/607968889.db2.gz RZYCKKMECGATNO-CQSZACIVSA-N -1 1 369.360 3.181 20 5 FGBDMM O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000131098704 700810133 /nfs/dbraw/zinc/81/01/33/700810133.db2.gz FLERKVOMBLMPCP-UHFFFAOYSA-N -1 1 361.720 3.425 20 5 FGBDMM CN(Cc1ccccc1[N+](=O)[O-])Cn1[n-]c(-c2ccccn2)nc1=S ZINC000172236643 705411684 /nfs/dbraw/zinc/41/16/84/705411684.db2.gz RTBPYFBIPNHZCN-UHFFFAOYSA-N -1 1 356.411 3.000 20 5 FGBDMM Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000180350045 705736353 /nfs/dbraw/zinc/73/63/53/705736353.db2.gz UGHVCYZRGNIYAY-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1cc([N+](=O)[O-])ccc1SCCO ZINC000780992502 724519815 /nfs/dbraw/zinc/51/98/15/724519815.db2.gz XWUOBMYSSLLHAZ-UHFFFAOYSA-N -1 1 368.798 3.291 20 5 FGBDMM COc1cc(C)cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000752015060 722841259 /nfs/dbraw/zinc/84/12/59/722841259.db2.gz HGLIHZQPOSAAKB-UHFFFAOYSA-N -1 1 370.814 3.044 20 5 FGBDMM Cc1c(C(=O)Nc2nc(Cl)ccc2[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000790050667 723099328 /nfs/dbraw/zinc/09/93/28/723099328.db2.gz GMLZAULJCMIUHW-UHFFFAOYSA-N -1 1 366.717 3.126 20 5 FGBDMM O=C(Nc1nc(Cl)ccc1[O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000790052295 723099822 /nfs/dbraw/zinc/09/98/22/723099822.db2.gz UOQLWLAERNPQNV-UHFFFAOYSA-N -1 1 372.562 3.364 20 5 FGBDMM O=C(CSc1cc(Cl)ccc1F)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000795242746 723575179 /nfs/dbraw/zinc/57/51/79/723575179.db2.gz CXNGORNXCZWILL-UHFFFAOYSA-N -1 1 368.773 3.436 20 5 FGBDMM COc1cc(Cl)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000775295592 723978770 /nfs/dbraw/zinc/97/87/70/723978770.db2.gz TUZPSHNWJSHTHY-UHFFFAOYSA-N -1 1 372.786 3.072 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c(F)cc1F ZINC000800052100 724136380 /nfs/dbraw/zinc/13/63/80/724136380.db2.gz GKAQJNCONFLOPY-UHFFFAOYSA-N -1 1 360.313 3.430 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)c1 ZINC000800942878 724252117 /nfs/dbraw/zinc/25/21/17/724252117.db2.gz JXJUVHFDJGMYFY-UHFFFAOYSA-N -1 1 374.768 3.423 20 5 FGBDMM C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809815493 725270421 /nfs/dbraw/zinc/27/04/21/725270421.db2.gz ITXZJPLLPPCAPB-XCBNKYQSSA-N -1 1 353.227 3.369 20 5 FGBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cccc([N+](=O)[O-])c1Cl ZINC000816895439 727203096 /nfs/dbraw/zinc/20/30/96/727203096.db2.gz KUJKSQQEZWYRRX-UHFFFAOYSA-N -1 1 361.770 3.414 20 5 FGBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000832148128 729692718 /nfs/dbraw/zinc/69/27/18/729692718.db2.gz LJWYZJKOIIRZRV-SNVBAGLBSA-N -1 1 373.645 3.110 20 5 FGBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(COC)cc2)cc1[N+](=O)[O-] ZINC000842586328 730516285 /nfs/dbraw/zinc/51/62/85/730516285.db2.gz QPPQEKGJPBQZNF-UHFFFAOYSA-N -1 1 350.396 3.104 20 5 FGBDMM Cc1ccc(CN2CCC(c3ncc(C(=O)[O-])s3)CC2)cc1[N+](=O)[O-] ZINC000872160241 735597958 /nfs/dbraw/zinc/59/79/58/735597958.db2.gz BPGWFYGZASXPLD-UHFFFAOYSA-N -1 1 361.423 3.438 20 5 FGBDMM O=C([O-])CCN(Cc1c(Br)cccc1[N+](=O)[O-])CC1CC1 ZINC000901613371 743602561 /nfs/dbraw/zinc/60/25/61/743602561.db2.gz WUSMAKYWBPINFG-UHFFFAOYSA-N -1 1 357.204 3.044 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000918194763 758314920 /nfs/dbraw/zinc/31/49/20/758314920.db2.gz VNSZBYYZYDZNKK-RWMBFGLXSA-N -1 1 356.419 3.371 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc2ccccc2c1 ZINC000921064015 758641369 /nfs/dbraw/zinc/64/13/69/758641369.db2.gz OTEIVOFABCOIMB-UHFFFAOYSA-N -1 1 360.366 3.366 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000006316102 493959495 /nfs/dbraw/zinc/95/94/95/493959495.db2.gz DHUPGKRCEOUWEQ-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(SC)cc2)cc1[N+](=O)[O-] ZINC000007745794 494040435 /nfs/dbraw/zinc/04/04/35/494040435.db2.gz DOJWFRJXFQRGPI-UHFFFAOYSA-N -1 1 354.409 3.126 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)s1 ZINC000064244668 494109139 /nfs/dbraw/zinc/10/91/39/494109139.db2.gz CUZOXHRWYAKZEY-SNVBAGLBSA-N -1 1 374.440 3.311 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)cc1[N+](=O)[O-] ZINC000066588306 494360233 /nfs/dbraw/zinc/36/02/33/494360233.db2.gz LXMBIFHONQVFJT-UHFFFAOYSA-N -1 1 368.436 3.267 20 5 FGBDMM CCOc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)ccc1OC ZINC000055631743 494376641 /nfs/dbraw/zinc/37/66/41/494376641.db2.gz WJDDVJLQUXYMJZ-UHFFFAOYSA-N -1 1 366.395 3.111 20 5 FGBDMM O=C(Nc1cc(F)ccc1[O-])c1ccc(Br)cc1[N+](=O)[O-] ZINC000080035861 494575102 /nfs/dbraw/zinc/57/51/02/494575102.db2.gz GXSMWZYWBBTMGH-UHFFFAOYSA-N -1 1 355.119 3.454 20 5 FGBDMM COc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1[N+](=O)[O-] ZINC000126695703 494820802 /nfs/dbraw/zinc/82/08/02/494820802.db2.gz NYTQFFCCAWZAQT-UHFFFAOYSA-N -1 1 367.155 3.324 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000104759930 495303132 /nfs/dbraw/zinc/30/31/32/495303132.db2.gz KXNXEASNXGKNDV-NSHDSACASA-N -1 1 355.441 3.098 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1nccs1 ZINC000120785983 495457815 /nfs/dbraw/zinc/45/78/15/495457815.db2.gz OPADXFMTBCZHNK-NSHDSACASA-N -1 1 355.441 3.098 20 5 FGBDMM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146967688 495570560 /nfs/dbraw/zinc/57/05/60/495570560.db2.gz OBWBZMFLHXUFKD-VIFPVBQESA-N -1 1 360.844 3.219 20 5 FGBDMM CCCCc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[nH]n1 ZINC000159959198 495850299 /nfs/dbraw/zinc/85/02/99/495850299.db2.gz DRUFAAVUMKTAAR-UHFFFAOYSA-N -1 1 352.416 3.078 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000186830385 496171592 /nfs/dbraw/zinc/17/15/92/496171592.db2.gz OOWBOBXRTJBIEZ-UHFFFAOYSA-N -1 1 366.377 3.197 20 5 FGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000162945654 496437567 /nfs/dbraw/zinc/43/75/67/496437567.db2.gz LHIWWIUBNXEDHV-JTQLQIEISA-N -1 1 352.416 3.331 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c1 ZINC000571988937 505863410 /nfs/dbraw/zinc/86/34/10/505863410.db2.gz KHJPCMMOAFWYOY-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM COc1cc(C(=O)[N-]c2ncn(C3CCCCC3)n2)c([N+](=O)[O-])cc1F ZINC000294927754 498853149 /nfs/dbraw/zinc/85/31/49/498853149.db2.gz KKNVPZXHFFOMNF-UHFFFAOYSA-N -1 1 363.349 3.092 20 5 FGBDMM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1c(C)cccc1C ZINC000295296191 498970343 /nfs/dbraw/zinc/97/03/43/498970343.db2.gz LWHKPOMNOPAQGZ-UHFFFAOYSA-N -1 1 364.423 3.300 20 5 FGBDMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc([O-])c3[N+](=O)[O-])[nH]c2c1 ZINC000576482800 506168965 /nfs/dbraw/zinc/16/89/65/506168965.db2.gz CYOCOKJROXYXPE-OAHLLOKOSA-N -1 1 366.377 3.462 20 5 FGBDMM O=C([O-])c1ccc(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000426685396 500306487 /nfs/dbraw/zinc/30/64/87/500306487.db2.gz HOMBIVPPCFOGEE-UHFFFAOYSA-N -1 1 352.293 3.184 20 5 FGBDMM O=C(Nc1cccc(-c2noc(C(F)(F)F)n2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000428204569 500481146 /nfs/dbraw/zinc/48/11/46/500481146.db2.gz JIBLHFSMAXYBLO-UHFFFAOYSA-N -1 1 367.243 3.244 20 5 FGBDMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000444465498 500850939 /nfs/dbraw/zinc/85/09/39/500850939.db2.gz RIFSKJBWKIUUDH-UHFFFAOYSA-N -1 1 370.350 3.143 20 5 FGBDMM CN(Cc1c(Cl)cccc1Cl)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444859111 500912163 /nfs/dbraw/zinc/91/21/63/500912163.db2.gz MPGLQNRODQCZOM-UHFFFAOYSA-N -1 1 356.165 3.274 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000434971993 500917518 /nfs/dbraw/zinc/91/75/18/500917518.db2.gz LVGGTZHZMUTEPQ-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1F ZINC000445214118 500955195 /nfs/dbraw/zinc/95/51/95/500955195.db2.gz PELZUACTMRFQSR-UHFFFAOYSA-N -1 1 367.764 3.196 20 5 FGBDMM Cc1c(NC(=O)[C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000436252045 501095521 /nfs/dbraw/zinc/09/55/21/501095521.db2.gz HKVDKAMGTSFFRR-SNVBAGLBSA-N -1 1 374.422 3.396 20 5 FGBDMM Cc1c(NC(=O)[C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000436252044 501095575 /nfs/dbraw/zinc/09/55/75/501095575.db2.gz HKVDKAMGTSFFRR-JTQLQIEISA-N -1 1 374.422 3.396 20 5 FGBDMM CC(C)c1[nH]nc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000436721265 501197436 /nfs/dbraw/zinc/19/74/36/501197436.db2.gz IJNFUYYCSOYHDI-UHFFFAOYSA-N -1 1 358.276 3.418 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436915362 501231721 /nfs/dbraw/zinc/23/17/21/501231721.db2.gz ODTJIEDMJBCQMY-UHFFFAOYSA-N -1 1 373.756 3.300 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC000436915362 501231723 /nfs/dbraw/zinc/23/17/23/501231723.db2.gz ODTJIEDMJBCQMY-UHFFFAOYSA-N -1 1 373.756 3.300 20 5 FGBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccc(C2CCC2)cn1 ZINC000451048341 501241841 /nfs/dbraw/zinc/24/18/41/501241841.db2.gz DYDMJYOUGQSZCX-UHFFFAOYSA-N -1 1 361.423 3.242 20 5 FGBDMM O=C(N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000457100852 501650887 /nfs/dbraw/zinc/65/08/87/501650887.db2.gz WEBAFGQGDXRRJU-RISCZKNCSA-N -1 1 361.785 3.415 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)n[nH]2)s1 ZINC000471494641 502044612 /nfs/dbraw/zinc/04/46/12/502044612.db2.gz DELPLFXAMORPCL-UHFFFAOYSA-N -1 1 370.456 3.303 20 5 FGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000476320151 502455250 /nfs/dbraw/zinc/45/52/50/502455250.db2.gz VCLAFMFBNBBISE-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM CCc1ccccc1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000488288517 502677651 /nfs/dbraw/zinc/67/76/51/502677651.db2.gz DNWZMISOUHDXGE-UHFFFAOYSA-N -1 1 372.406 3.348 20 5 FGBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCCc2cc(Br)ccc21 ZINC000491197420 503284969 /nfs/dbraw/zinc/28/49/69/503284969.db2.gz VWUKWACEPOWFSJ-UHFFFAOYSA-N -1 1 350.172 3.278 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCC1 ZINC000511360193 503307255 /nfs/dbraw/zinc/30/72/55/503307255.db2.gz NVVAOUCBBOWCRP-UHFFFAOYSA-N -1 1 372.752 3.259 20 5 FGBDMM COc1c(Cl)cccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000499158932 503346748 /nfs/dbraw/zinc/34/67/48/503346748.db2.gz BPMFZMSWSUWDOU-UHFFFAOYSA-N -1 1 372.786 3.072 20 5 FGBDMM Cc1nc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[n-]c(=O)c1C ZINC000540713221 503864803 /nfs/dbraw/zinc/86/48/03/503864803.db2.gz NWOCWOQLCSTTBV-UHFFFAOYSA-N -1 1 359.367 3.050 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000533918100 503990036 /nfs/dbraw/zinc/99/00/36/503990036.db2.gz PLAGPLXOGMWTLZ-OAHLLOKOSA-N -1 1 367.814 3.073 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c(C)c1C ZINC000537654273 503993566 /nfs/dbraw/zinc/99/35/66/503993566.db2.gz KDCUDOXZRAIOGK-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM Cc1cc(N2CCC[C@H](c3n[n-]c(=O)o3)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549568014 504851987 /nfs/dbraw/zinc/85/19/87/504851987.db2.gz RMSHNTCODVIATH-VIFPVBQESA-N -1 1 372.303 3.395 20 5 FGBDMM CC(=C([O-])Nc1nc(-c2ccccc2)ns1)c1cccc([N+](=O)[O-])c1 ZINC000565340729 504859125 /nfs/dbraw/zinc/85/91/25/504859125.db2.gz BZEAZNYLBRRPMK-LLVKDONJSA-N -1 1 354.391 3.277 20 5 FGBDMM CC[C@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H](C)CC(=O)[O-])cc1OC ZINC000565786532 504987128 /nfs/dbraw/zinc/98/71/28/504987128.db2.gz DLGZYFXWMGSISH-QWHCGFSZSA-N -1 1 368.430 3.323 20 5 FGBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000550574771 505067173 /nfs/dbraw/zinc/06/71/73/505067173.db2.gz UNAGQPXOUFBAKB-UHFFFAOYSA-N -1 1 362.798 3.303 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)c(F)c1 ZINC000599503038 506475682 /nfs/dbraw/zinc/47/56/82/506475682.db2.gz PKQQBTOHSHSXPE-UHFFFAOYSA-N -1 1 370.324 3.135 20 5 FGBDMM C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)C1 ZINC000604106063 506715345 /nfs/dbraw/zinc/71/53/45/506715345.db2.gz ZACOBFCFGHFNCE-STQMWFEESA-N -1 1 370.409 3.293 20 5 FGBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCc2ccc(Cl)cc21 ZINC000593814847 506786403 /nfs/dbraw/zinc/78/64/03/506786403.db2.gz USOJJBIAZLTGFQ-SNVBAGLBSA-N -1 1 361.785 3.151 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(O)c(C)cc2C)c1C ZINC000612997962 506857510 /nfs/dbraw/zinc/85/75/10/506857510.db2.gz ZODFXTRJWBNBOJ-UHFFFAOYSA-N -1 1 350.396 3.335 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCOC2 ZINC000594697486 507243607 /nfs/dbraw/zinc/24/36/07/507243607.db2.gz YESUDJMYPUJCAB-UHFFFAOYSA-N -1 1 362.407 3.085 20 5 FGBDMM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cc1 ZINC000594758149 507269926 /nfs/dbraw/zinc/26/99/26/507269926.db2.gz BRTFNRKLWRCIRM-NSHDSACASA-N -1 1 367.452 3.141 20 5 FGBDMM Cc1cnc([C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)C2CC2)s1 ZINC000826317996 607452617 /nfs/dbraw/zinc/45/26/17/607452617.db2.gz RUSVTEZJZAKKBT-ZDUSSCGKSA-N -1 1 357.399 3.103 20 5 FGBDMM Cc1cnc([C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)C2CC2)s1 ZINC000826317996 607452619 /nfs/dbraw/zinc/45/26/19/607452619.db2.gz RUSVTEZJZAKKBT-ZDUSSCGKSA-N -1 1 357.399 3.103 20 5 FGBDMM CC(C)(C)c1nc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC000833451179 605715065 /nfs/dbraw/zinc/71/50/65/605715065.db2.gz TUERFFWWTBXICX-UHFFFAOYSA-N -1 1 365.367 3.005 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(NC2CCCC2)c1 ZINC000823624520 606711538 /nfs/dbraw/zinc/71/15/38/606711538.db2.gz BKTKJUKDQFQWDN-UHFFFAOYSA-N -1 1 366.385 3.268 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(NC2CCCC2)c1 ZINC000823624520 606711539 /nfs/dbraw/zinc/71/15/39/606711539.db2.gz BKTKJUKDQFQWDN-UHFFFAOYSA-N -1 1 366.385 3.268 20 5 FGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c1 ZINC000194196152 713513713 /nfs/dbraw/zinc/51/37/13/713513713.db2.gz AUDKLYGIRFRCIY-UHFFFAOYSA-N -1 1 365.386 3.135 20 5 FGBDMM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000755179836 722951080 /nfs/dbraw/zinc/95/10/80/722951080.db2.gz MWCNJVLRTQPDTR-MRVPVSSYSA-N -1 1 358.313 3.133 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000725827476 722424134 /nfs/dbraw/zinc/42/41/34/722424134.db2.gz DKPBCFORLCPOJK-QWHCGFSZSA-N -1 1 370.789 3.222 20 5 FGBDMM CC(C)(C)SCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000727460847 722444716 /nfs/dbraw/zinc/44/47/16/722444716.db2.gz XVHMWCXIDNTNDD-UHFFFAOYSA-N -1 1 352.865 3.058 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000742318972 722555220 /nfs/dbraw/zinc/55/52/20/722555220.db2.gz LREYCLOZZDQXKW-GMXVVIOVSA-N -1 1 358.847 3.495 20 5 FGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC000794608055 723534937 /nfs/dbraw/zinc/53/49/37/723534937.db2.gz ORXIOURPBAETAL-UHFFFAOYSA-N -1 1 368.798 3.292 20 5 FGBDMM CCc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768837928 723668846 /nfs/dbraw/zinc/66/88/46/723668846.db2.gz HIIQYTSIUMTVRL-ZDUSSCGKSA-N -1 1 368.436 3.021 20 5 FGBDMM Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045965 723675499 /nfs/dbraw/zinc/67/54/99/723675499.db2.gz FHHIALXMYCWAQA-UHFFFAOYSA-N -1 1 364.741 3.058 20 5 FGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)c1 ZINC000799534050 724040523 /nfs/dbraw/zinc/04/05/23/724040523.db2.gz MUKVBSKPBXYMCQ-UHFFFAOYSA-N -1 1 370.799 3.054 20 5 FGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000800052141 724136493 /nfs/dbraw/zinc/13/64/93/724136493.db2.gz IMNCNCPJAQZXRU-UHFFFAOYSA-N -1 1 360.313 3.262 20 5 FGBDMM Cc1ccc(N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000808079170 725182576 /nfs/dbraw/zinc/18/25/76/725182576.db2.gz RONXSJUNKBAEFW-MJVIPROJSA-N -1 1 359.348 3.185 20 5 FGBDMM O=C([N-]c1cccc2nonc21)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000808801682 725218286 /nfs/dbraw/zinc/21/82/86/725218286.db2.gz VDBYYBLBHRAYCM-UHFFFAOYSA-N -1 1 352.228 3.402 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)cc1Cl ZINC000809809569 725270053 /nfs/dbraw/zinc/27/00/53/725270053.db2.gz RICWLPSSSQDDPA-SNVBAGLBSA-N -1 1 370.789 3.006 20 5 FGBDMM C[C@H](C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809810419 725270086 /nfs/dbraw/zinc/27/00/86/725270086.db2.gz XIODVFYRBZDHSB-SSDOTTSWSA-N -1 1 353.227 3.226 20 5 FGBDMM CC[C@@H](CSC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809829987 725271727 /nfs/dbraw/zinc/27/17/27/725271727.db2.gz PNLOKOSIJCTCNA-ZETCQYMHSA-N -1 1 373.283 3.322 20 5 FGBDMM Cc1ccsc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815000627 727018476 /nfs/dbraw/zinc/01/84/76/727018476.db2.gz MSSVHNCRJYTWRU-UHFFFAOYSA-N -1 1 364.807 3.236 20 5 FGBDMM CC(F)(F)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000831687025 729661133 /nfs/dbraw/zinc/66/11/33/729661133.db2.gz FXOKHRZRKRDGKL-UHFFFAOYSA-N -1 1 363.169 3.225 20 5 FGBDMM C[C@]1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000845980437 730914866 /nfs/dbraw/zinc/91/48/66/730914866.db2.gz LTLCKZWJZZNDDH-RYUDHWBXSA-N -1 1 371.217 3.231 20 5 FGBDMM Cc1csc([C@H](C)[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)n1 ZINC000848582124 731185400 /nfs/dbraw/zinc/18/54/00/731185400.db2.gz WXDQLAZJZCECEX-VIFPVBQESA-N -1 1 357.338 3.209 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)c(C)c1[N+](=O)[O-] ZINC000857226061 732113614 /nfs/dbraw/zinc/11/36/14/732113614.db2.gz ZHYIJGDNWTUROJ-NSHDSACASA-N -1 1 368.386 3.205 20 5 FGBDMM Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000884157704 737639176 /nfs/dbraw/zinc/63/91/76/737639176.db2.gz HQBWKTKYHZALQU-UHFFFAOYSA-N -1 1 361.354 3.391 20 5 FGBDMM Cc1cc(NCc2ccc(CN(C)C)c(F)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571169001 505670876 /nfs/dbraw/zinc/67/08/76/505670876.db2.gz GJGZSJVOCIHKPY-UHFFFAOYSA-N -1 1 361.373 3.414 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000032587713 493998323 /nfs/dbraw/zinc/99/83/23/493998323.db2.gz GERRFOFKGIBDMB-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM COC(=O)c1cc(C(=O)[N-]c2c(F)cc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000072505616 494187752 /nfs/dbraw/zinc/18/77/52/494187752.db2.gz QUXWHAGNIFBCFD-UHFFFAOYSA-N -1 1 354.240 3.051 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000078657466 494338057 /nfs/dbraw/zinc/33/80/57/494338057.db2.gz TYKMXCRYSXIYPK-UHFFFAOYSA-N -1 1 370.405 3.404 20 5 FGBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(C(F)(F)F)c1 ZINC000015611625 494362358 /nfs/dbraw/zinc/36/23/58/494362358.db2.gz PDYJXJIGBTUHGW-MRVPVSSYSA-N -1 1 355.272 3.205 20 5 FGBDMM CCOc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1OC ZINC000055631839 494376584 /nfs/dbraw/zinc/37/65/84/494376584.db2.gz NMFZXKQZVSAXFR-UHFFFAOYSA-N -1 1 366.395 3.111 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000055663384 494385377 /nfs/dbraw/zinc/38/53/77/494385377.db2.gz OYYDPCBSTFGBLR-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM COc1cc(F)c([N+](=O)[O-])c(NCCc2n[n-]c(=S)n2C(C)C)c1 ZINC000092655463 494698680 /nfs/dbraw/zinc/69/86/80/494698680.db2.gz ZQKLNLKDAVWQRJ-UHFFFAOYSA-N -1 1 355.395 3.232 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c1C ZINC000116601811 494823618 /nfs/dbraw/zinc/82/36/18/494823618.db2.gz ISNZDLXJDIYNOV-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-c2ncco2)c1 ZINC000132810172 494927823 /nfs/dbraw/zinc/92/78/23/494927823.db2.gz PNCUNZUBGWASLS-UHFFFAOYSA-N -1 1 359.363 3.359 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OC2CCC2)s1 ZINC000118437753 495002113 /nfs/dbraw/zinc/00/21/13/495002113.db2.gz ZGCVRJXOZKSBOM-UHFFFAOYSA-N -1 1 368.436 3.066 20 5 FGBDMM COc1c(C)cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C ZINC000135675451 495324877 /nfs/dbraw/zinc/32/48/77/495324877.db2.gz SRRANLUPWXSCJT-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000186270483 495921669 /nfs/dbraw/zinc/92/16/69/495921669.db2.gz AKQYWHWHKYPTNZ-LBPRGKRZSA-N -1 1 374.340 3.219 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c(C)c1F ZINC000181118228 496276875 /nfs/dbraw/zinc/27/68/75/496276875.db2.gz KBDSSAHWPLISKK-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000187155226 496316312 /nfs/dbraw/zinc/31/63/12/496316312.db2.gz MHEPDXKLTZQJRY-BXUZGUMPSA-N -1 1 359.382 3.464 20 5 FGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000162683507 496395692 /nfs/dbraw/zinc/39/56/92/496395692.db2.gz WGVWLZQGYDKURN-SNVBAGLBSA-N -1 1 352.416 3.331 20 5 FGBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Br)cc1[O-] ZINC000195297836 496879687 /nfs/dbraw/zinc/87/96/87/496879687.db2.gz CFFZPAYDMKGKPM-UHFFFAOYSA-N -1 1 365.183 3.335 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000191902841 496925189 /nfs/dbraw/zinc/92/51/89/496925189.db2.gz MAWBOOKTNYMQGP-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM COCCc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000271473737 497358587 /nfs/dbraw/zinc/35/85/87/497358587.db2.gz WGLWZQCSGWSJSQ-UHFFFAOYSA-N -1 1 364.423 3.201 20 5 FGBDMM Cc1cc(C)cc(C2=CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000193796125 497484421 /nfs/dbraw/zinc/48/44/21/497484421.db2.gz HUNJPTOFCMBXBC-UHFFFAOYSA-N -1 1 353.378 3.242 20 5 FGBDMM CCc1nc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C ZINC000569745196 506006616 /nfs/dbraw/zinc/00/66/16/506006616.db2.gz OKQVSTAMGHLZJZ-JTQLQIEISA-N -1 1 362.411 3.081 20 5 FGBDMM CCc1nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C ZINC000569745200 506006423 /nfs/dbraw/zinc/00/64/23/506006423.db2.gz OKQVSTAMGHLZJZ-SNVBAGLBSA-N -1 1 362.411 3.081 20 5 FGBDMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372478907 499132794 /nfs/dbraw/zinc/13/27/94/499132794.db2.gz XVRKOXOMGVGMQW-AWEZNQCLSA-N -1 1 366.377 3.127 20 5 FGBDMM O=C(c1ccc([O-])cc1)C1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000372211586 499409474 /nfs/dbraw/zinc/40/94/74/499409474.db2.gz MECSQKDAXNLUNB-UHFFFAOYSA-N -1 1 372.406 3.109 20 5 FGBDMM CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000425327405 500075635 /nfs/dbraw/zinc/07/56/35/500075635.db2.gz NITYPJFYLIOEFK-OAHLLOKOSA-N -1 1 361.373 3.174 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C2CC2)s1 ZINC000431598889 500396977 /nfs/dbraw/zinc/39/69/77/500396977.db2.gz ZQYJJVQOPWQTSK-ZDUSSCGKSA-N -1 1 352.437 3.128 20 5 FGBDMM Cc1ccc2nc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)[nH]c2c1 ZINC000427639041 500414976 /nfs/dbraw/zinc/41/49/76/500414976.db2.gz NKWCCTCZUDXWBX-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM CCCc1[nH]nc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1[N+](=O)[O-] ZINC000442926538 500648206 /nfs/dbraw/zinc/64/82/06/500648206.db2.gz QDARVLFDLGIYJZ-UHFFFAOYSA-N -1 1 374.275 3.127 20 5 FGBDMM COc1cc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)cc([N+](=O)[O-])c1O ZINC000439267370 500877942 /nfs/dbraw/zinc/87/79/42/500877942.db2.gz DHWYXNKGBNFPQV-DJWKRKHSSA-N -1 1 356.290 3.319 20 5 FGBDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cccc([N+](=O)[O-])c3C)[nH][n-]2)c1 ZINC000444783394 500900534 /nfs/dbraw/zinc/90/05/34/500900534.db2.gz SWNQCOSNMSQVGB-UHFFFAOYSA-N -1 1 354.341 3.415 20 5 FGBDMM Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000611617411 506230131 /nfs/dbraw/zinc/23/01/31/506230131.db2.gz ORYPSVIEJPUUAA-UHFFFAOYSA-N -1 1 355.394 3.412 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C ZINC000435727354 501018962 /nfs/dbraw/zinc/01/89/62/501018962.db2.gz WMPVIWMJPGINJZ-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM COC(=O)c1ccc([O-])c(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)c1 ZINC000436502693 501141673 /nfs/dbraw/zinc/14/16/73/501141673.db2.gz DDYWNFVSLWRECC-UHFFFAOYSA-N -1 1 358.350 3.265 20 5 FGBDMM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000461209987 502040212 /nfs/dbraw/zinc/04/02/12/502040212.db2.gz YWIMGKDPEPQBKW-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)cc1C ZINC000478676807 502054116 /nfs/dbraw/zinc/05/41/16/502054116.db2.gz CVOJUWPCQSBONP-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM O=c1cc(/C=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)nc2nc[n-]n21 ZINC000486123470 502055113 /nfs/dbraw/zinc/05/51/13/502055113.db2.gz GRMKKKOKWFWTSC-UTCJRWHESA-N -1 1 365.374 3.225 20 5 FGBDMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cc(F)cc([N+](=O)[O-])c3)ccc2O1 ZINC000475839815 502306519 /nfs/dbraw/zinc/30/65/19/502306519.db2.gz XVZSKOVIMRGOTO-UHFFFAOYSA-N -1 1 366.370 3.248 20 5 FGBDMM CC(C)CCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488640485 502771088 /nfs/dbraw/zinc/77/10/88/502771088.db2.gz BDJOEIOMJUBTBJ-UHFFFAOYSA-N -1 1 365.249 3.072 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1[N+](=O)[O-] ZINC000515149915 503281256 /nfs/dbraw/zinc/28/12/56/503281256.db2.gz QIAPIRHNQFTLGE-UHFFFAOYSA-N -1 1 373.390 3.195 20 5 FGBDMM CC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1F ZINC000507569007 503324343 /nfs/dbraw/zinc/32/43/43/503324343.db2.gz VPRQUHPNQRQWLM-UHFFFAOYSA-N -1 1 366.370 3.354 20 5 FGBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OCC(F)(F)F ZINC000515788750 503401692 /nfs/dbraw/zinc/40/16/92/503401692.db2.gz CPUSETGKXHURHS-UHFFFAOYSA-N -1 1 359.260 3.125 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCC2)s1 ZINC000512775349 503629920 /nfs/dbraw/zinc/62/99/20/503629920.db2.gz UFPRHOQFEMYDHC-UHFFFAOYSA-N -1 1 366.464 3.447 20 5 FGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000536702219 503688524 /nfs/dbraw/zinc/68/85/24/503688524.db2.gz BTTBSHOARKTUBQ-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1Cc1ccccc1 ZINC000546817150 503889910 /nfs/dbraw/zinc/88/99/10/503889910.db2.gz UDVQHXWWQINFTA-KRWDZBQOSA-N -1 1 369.421 3.037 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC000543859008 503918499 /nfs/dbraw/zinc/91/84/99/503918499.db2.gz XODPEQANUGAQJA-UHFFFAOYSA-N -1 1 366.395 3.111 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cccc1[N+](=O)[O-] ZINC000534206392 504070826 /nfs/dbraw/zinc/07/08/26/504070826.db2.gz CTVPAYIHCHEYOG-UHFFFAOYSA-N -1 1 362.407 3.418 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)c1 ZINC000544622905 504195657 /nfs/dbraw/zinc/19/56/57/504195657.db2.gz ZCGNVOCOTBPODW-UHFFFAOYSA-N 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Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000565268065 504838293 /nfs/dbraw/zinc/83/82/93/504838293.db2.gz FCHCIESVIKBKBA-NSHDSACASA-N -1 1 372.752 3.176 20 5 FGBDMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)n1 ZINC000556334459 504847918 /nfs/dbraw/zinc/84/79/18/504847918.db2.gz FMJHWSUCHNETPZ-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM O=C(N[C@@H]1CCCc2sc(Cl)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000553829485 505021674 /nfs/dbraw/zinc/02/16/74/505021674.db2.gz ZAFCAELHGZZISB-SECBINFHSA-N -1 1 353.787 3.218 20 5 FGBDMM O=C([O-])c1ccccc1OCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000583305996 506706177 /nfs/dbraw/zinc/70/61/77/506706177.db2.gz SAMAQVQJJIFCEB-UHFFFAOYSA-N -1 1 356.378 3.336 20 5 FGBDMM CO[C@@H](C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-])C1CC1 ZINC000593949235 506843077 /nfs/dbraw/zinc/84/30/77/506843077.db2.gz ZOIGHIPIRQNISH-YJBOKZPZSA-N -1 1 374.393 3.213 20 5 FGBDMM O=C(Nc1c([O-])cccc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000609851140 507023321 /nfs/dbraw/zinc/02/33/21/507023321.db2.gz GZBFKMRBUBLFNU-UHFFFAOYSA-N -1 1 359.357 3.295 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCC(F)(F)CC1 ZINC000594487586 507152717 /nfs/dbraw/zinc/15/27/17/507152717.db2.gz NREROKCCLQLIGM-MRVPVSSYSA-N -1 1 354.400 3.149 20 5 FGBDMM CCc1ccc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)cc1[N+](=O)[O-] ZINC000592385237 507631423 /nfs/dbraw/zinc/63/14/23/507631423.db2.gz VSBMPKADJFIGRE-UHFFFAOYSA-N -1 1 352.416 3.113 20 5 FGBDMM CCc1c([N-]c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cnn1CC(C)C ZINC000588007554 507731920 /nfs/dbraw/zinc/73/19/20/507731920.db2.gz DNZINKAZUBNGSF-UHFFFAOYSA-N -1 1 361.402 3.243 20 5 FGBDMM O=C([O-])/C=C\c1ccc(Nc2cnn(-c3ccncc3)c2)c([N+](=O)[O-])c1 ZINC000739626913 600023953 /nfs/dbraw/zinc/02/39/53/600023953.db2.gz WBRJCAWYUSETFF-RQOWECAXSA-N -1 1 351.322 3.017 20 5 FGBDMM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000832006496 603567975 /nfs/dbraw/zinc/56/79/75/603567975.db2.gz SWCCAGYMJGJXPY-DOMZBBRYSA-N -1 1 374.397 3.090 20 5 FGBDMM CC(C)CN(CCC(=O)[O-])Cc1c(Br)cccc1[N+](=O)[O-] ZINC000833486570 604578452 /nfs/dbraw/zinc/57/84/52/604578452.db2.gz NNGIZMKZMZBDBE-UHFFFAOYSA-N -1 1 359.220 3.290 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1snc(Cl)c1-c1nn[n-]n1 ZINC000826498394 608171364 /nfs/dbraw/zinc/17/13/64/608171364.db2.gz SLOYHEZWULSDOB-UHFFFAOYSA-N -1 1 359.154 3.331 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000101575734 700468830 /nfs/dbraw/zinc/46/88/30/700468830.db2.gz DKBAXTBMNFRAOP-UHFFFAOYSA-N -1 1 365.798 3.208 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000107700893 700518999 /nfs/dbraw/zinc/51/89/99/700518999.db2.gz ZMNBMVQMJCCKKE-WCQYABFASA-N -1 1 370.789 3.222 20 5 FGBDMM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000115583713 700586590 /nfs/dbraw/zinc/58/65/90/700586590.db2.gz HUATVVILHMKGAV-AWEZNQCLSA-N -1 1 367.402 3.113 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(C)c1O ZINC000176056791 705569306 /nfs/dbraw/zinc/56/93/06/705569306.db2.gz ZIWKTKBOZAYAEG-UHFFFAOYSA-N -1 1 354.359 3.166 20 5 FGBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000525185250 714328031 /nfs/dbraw/zinc/32/80/31/714328031.db2.gz GKNFDNUEFATYMD-AWEZNQCLSA-N -1 1 369.830 3.319 20 5 FGBDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(Cl)c([N+](=O)[O-])c3)ccc2O1 ZINC000729964657 722463760 /nfs/dbraw/zinc/46/37/60/722463760.db2.gz KKRUDVISQCKQRD-VIFPVBQESA-N -1 1 368.798 3.372 20 5 FGBDMM CCCCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n[nH]1 ZINC000760322887 723048599 /nfs/dbraw/zinc/04/85/99/723048599.db2.gz OJNRZVPUOMEVCB-UHFFFAOYSA-N -1 1 372.834 3.423 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760406945 723054558 /nfs/dbraw/zinc/05/45/58/723054558.db2.gz UYYHXKVTIQWHSI-SSDOTTSWSA-N -1 1 364.210 3.269 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1CCC(F)(F)CC1 ZINC000761330405 723145820 /nfs/dbraw/zinc/14/58/20/723145820.db2.gz DISDAEBQECFRGK-UHFFFAOYSA-N -1 1 354.762 3.104 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1 ZINC000796139975 723623201 /nfs/dbraw/zinc/62/32/01/723623201.db2.gz QZBDBURHJNMPGY-UHFFFAOYSA-N -1 1 372.752 3.177 20 5 FGBDMM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000796387035 723635884 /nfs/dbraw/zinc/63/58/84/723635884.db2.gz XLUFYNQPNSOEPR-QMMMGPOBSA-N -1 1 360.757 3.321 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)cs1 ZINC000768862622 723670033 /nfs/dbraw/zinc/67/00/33/723670033.db2.gz WBYHNUSWJLRAFB-UHFFFAOYSA-N -1 1 356.429 3.228 20 5 FGBDMM C[C@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768883911 723670890 /nfs/dbraw/zinc/67/08/90/723670890.db2.gz ZCPIENXMLCPGNM-ZUZCIYMTSA-N -1 1 352.437 3.258 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc2ncsc2c1 ZINC000776785787 724183022 /nfs/dbraw/zinc/18/30/22/724183022.db2.gz PCIBIJLATBFSDV-MRVPVSSYSA-N -1 1 369.449 3.306 20 5 FGBDMM CO[C@@H](COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000801289803 724288318 /nfs/dbraw/zinc/28/83/18/724288318.db2.gz KMIWZAKZBDTFJJ-HNNXBMFYSA-N -1 1 351.742 3.498 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)cc1Cl ZINC000809810454 725270035 /nfs/dbraw/zinc/27/00/35/725270035.db2.gz YUFUMICICKWXMO-GWCFXTLKSA-N -1 1 370.789 3.222 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cs1 ZINC000811832115 725382161 /nfs/dbraw/zinc/38/21/61/725382161.db2.gz LGFSRWOSEPAMRN-UHFFFAOYSA-N -1 1 363.760 3.019 20 5 FGBDMM CC(C)OCCON=c1cc(C(F)(F)C(F)(F)F)[n-]cc1[N+](=O)[O-] ZINC000812489002 725398114 /nfs/dbraw/zinc/39/81/14/725398114.db2.gz QFRFYURUHYSDSU-UHFFFAOYSA-N -1 1 359.251 3.412 20 5 FGBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])s1 ZINC000814992922 727017767 /nfs/dbraw/zinc/01/77/67/727017767.db2.gz SFJGHCQFLMCVGP-UHFFFAOYSA-N -1 1 364.807 3.236 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000815015754 727019869 /nfs/dbraw/zinc/01/98/69/727019869.db2.gz PSKIJASIGIMTJL-MRVPVSSYSA-N -1 1 374.777 3.132 20 5 FGBDMM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000845979538 730914892 /nfs/dbraw/zinc/91/48/92/730914892.db2.gz HVWVPZUIYPCNNF-VXGBXAGGSA-N -1 1 371.217 3.231 20 5 FGBDMM O=C([N-]c1nc(C2CCOCC2)ns1)c1cc([N+](=O)[O-])ccc1Cl ZINC000863259240 732933824 /nfs/dbraw/zinc/93/38/24/732933824.db2.gz SFFXEWPLWPCEEI-UHFFFAOYSA-N -1 1 368.802 3.246 20 5 FGBDMM Cc1cccc(C)c1OCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001566 494267404 /nfs/dbraw/zinc/26/74/04/494267404.db2.gz AIZRXBZLZUGUHE-UHFFFAOYSA-N -1 1 370.452 3.021 20 5 FGBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(-c2ccncc2)cc1 ZINC000126743792 494830109 /nfs/dbraw/zinc/83/01/09/494830109.db2.gz BNFPTXZOZZLYHJ-GFCCVEGCSA-N -1 1 364.361 3.248 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000135504731 495302822 /nfs/dbraw/zinc/30/28/22/495302822.db2.gz GQFUQAKFZXWQNV-UHFFFAOYSA-N -1 1 368.321 3.210 20 5 FGBDMM O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1csc([N+](=O)[O-])c1 ZINC000171520886 495910036 /nfs/dbraw/zinc/91/00/36/495910036.db2.gz OFVHMPKZHAENPT-UHFFFAOYSA-N -1 1 364.383 3.490 20 5 FGBDMM COc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)on1 ZINC000183463008 495994754 /nfs/dbraw/zinc/99/47/54/495994754.db2.gz RTQSRXGBOJVHRM-UHFFFAOYSA-N -1 1 367.317 3.075 20 5 FGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000180819452 496158848 /nfs/dbraw/zinc/15/88/48/496158848.db2.gz RJPFFLMKYXRCEX-LLVKDONJSA-N -1 1 352.416 3.163 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(OC)cc1C ZINC000187068183 496278478 /nfs/dbraw/zinc/27/84/78/496278478.db2.gz WMUOSWMKISWJTL-UHFFFAOYSA-N -1 1 368.386 3.414 20 5 FGBDMM C[C@H]1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000172810546 496441255 /nfs/dbraw/zinc/44/12/55/496441255.db2.gz FNTFSPDXRPWNSK-ZDUSSCGKSA-N -1 1 361.423 3.384 20 5 FGBDMM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000175629293 496473092 /nfs/dbraw/zinc/47/30/92/496473092.db2.gz LVWYYAQQTQNTAB-QMMMGPOBSA-N -1 1 361.832 3.053 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000181659912 496492204 /nfs/dbraw/zinc/49/22/04/496492204.db2.gz TXGJXVANBYEZCL-UHFFFAOYSA-N -1 1 372.349 3.348 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)cc1[N+](=O)[O-] ZINC000191795601 496891595 /nfs/dbraw/zinc/89/15/95/496891595.db2.gz ROMLFPAAQPAOTI-UHFFFAOYSA-N -1 1 374.378 3.062 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc(F)cc(F)c1 ZINC000194439910 497668534 /nfs/dbraw/zinc/66/85/34/497668534.db2.gz KQXVCLILCGMLQY-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM CC(C)c1c([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000569538070 505957445 /nfs/dbraw/zinc/95/74/45/505957445.db2.gz RKMFWPYQGZCVGV-UHFFFAOYSA-N -1 1 366.381 3.141 20 5 FGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000330818451 498200028 /nfs/dbraw/zinc/20/00/28/498200028.db2.gz NQQDSEDJPYKBDY-GHMZBOCLSA-N -1 1 366.361 3.242 20 5 FGBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000360680497 498297676 /nfs/dbraw/zinc/29/76/76/498297676.db2.gz LLLMVLGVUGNUJB-UHFFFAOYSA-N -1 1 354.362 3.036 20 5 FGBDMM Cc1cc(F)ccc1C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000293747682 498475090 /nfs/dbraw/zinc/47/50/90/498475090.db2.gz VZQOOWGPRDIRKC-UHFFFAOYSA-N -1 1 359.357 3.163 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1OC ZINC000298668484 498844735 /nfs/dbraw/zinc/84/47/35/498844735.db2.gz SDLVDITZLBSZAW-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM O=C(Nc1ccnc(N2CCc3ccccc3C2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000576214760 506104469 /nfs/dbraw/zinc/10/44/69/506104469.db2.gz IUQNGIYKEPJRDU-UHFFFAOYSA-N -1 1 363.377 3.133 20 5 FGBDMM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000373091295 499450902 /nfs/dbraw/zinc/45/09/02/499450902.db2.gz BIPPWNQJDFMRBC-UHFFFAOYSA-N -1 1 368.389 3.344 20 5 FGBDMM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c1[N+](=O)[O-] ZINC000431619713 500399621 /nfs/dbraw/zinc/39/96/21/500399621.db2.gz HPIOPIFREZPUDF-CYBMUJFWSA-N -1 1 370.377 3.496 20 5 FGBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000442315847 500581468 /nfs/dbraw/zinc/58/14/68/500581468.db2.gz RPOYUAAARYCHKM-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000447266550 500582199 /nfs/dbraw/zinc/58/21/99/500582199.db2.gz WXGMOVORWXGJJC-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000443051095 500669068 /nfs/dbraw/zinc/66/90/68/500669068.db2.gz VSRPBWBTTWNJQJ-LLVKDONJSA-N -1 1 354.350 3.240 20 5 FGBDMM Cc1ccc([C@H]2CCC[C@@H]2N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444959552 500925618 /nfs/dbraw/zinc/92/56/18/500925618.db2.gz NGWATMZIYBJNSQ-CVEARBPZSA-N -1 1 355.394 3.412 20 5 FGBDMM Cc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OC(C)(C)C)c1 ZINC000445000713 500931091 /nfs/dbraw/zinc/93/10/91/500931091.db2.gz OSJCNJANZSKBMX-UHFFFAOYSA-N -1 1 359.382 3.111 20 5 FGBDMM CC(C)c1[nH]nc(C(=O)Nc2cc(Br)ccc2[O-])c1[N+](=O)[O-] ZINC000436798026 501213140 /nfs/dbraw/zinc/21/31/40/501213140.db2.gz JMCCJKZZDRSKBV-UHFFFAOYSA-N -1 1 369.175 3.162 20 5 FGBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1[O-] ZINC000436822129 501216797 /nfs/dbraw/zinc/21/67/97/501216797.db2.gz RWGMMWOLQROVAS-UHFFFAOYSA-N -1 1 365.183 3.035 20 5 FGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1 ZINC000470572259 501731246 /nfs/dbraw/zinc/73/12/46/501731246.db2.gz AJWILNYIHGCUAC-JTQLQIEISA-N -1 1 352.416 3.331 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)n[nH]1 ZINC000474432075 501834297 /nfs/dbraw/zinc/83/42/97/501834297.db2.gz PFYJFJXKDUYZHL-UHFFFAOYSA-N -1 1 366.443 3.270 20 5 FGBDMM CCCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471122430 501927188 /nfs/dbraw/zinc/92/71/88/501927188.db2.gz BHECTXMPNDKGKY-UHFFFAOYSA-N -1 1 364.379 3.046 20 5 FGBDMM COC(=O)c1cc(NC(=O)c2cc([O-])c3ccccc3c2)cc([N+](=O)[O-])c1 ZINC000472149121 502249315 /nfs/dbraw/zinc/24/93/15/502249315.db2.gz CCBLRSQZXVAXHD-UHFFFAOYSA-N -1 1 366.329 3.493 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(SC)c2C)cc1[N+](=O)[O-] ZINC000536991046 503772334 /nfs/dbraw/zinc/77/23/34/503772334.db2.gz YMOIOLHBQDYMBR-UHFFFAOYSA-N -1 1 368.436 3.435 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c1 ZINC000544639439 504201384 /nfs/dbraw/zinc/20/13/84/504201384.db2.gz HHPFNOUJRZCXMG-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM CCN(CC)C(=O)CCC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000559149104 504791926 /nfs/dbraw/zinc/79/19/26/504791926.db2.gz DFYITLAGNQWPQO-UHFFFAOYSA-N -1 1 363.458 3.161 20 5 FGBDMM CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC(F)(F)CC1 ZINC000612140208 506458524 /nfs/dbraw/zinc/45/85/24/506458524.db2.gz BBVYDFRNJPTIIS-UHFFFAOYSA-N -1 1 368.789 3.495 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000593743514 506757557 /nfs/dbraw/zinc/75/75/57/506757557.db2.gz IBXWNQMTLURFSB-GOSISDBHSA-N -1 1 370.405 3.127 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN(CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000593743514 506757561 /nfs/dbraw/zinc/75/75/61/506757561.db2.gz IBXWNQMTLURFSB-GOSISDBHSA-N -1 1 370.405 3.127 20 5 FGBDMM CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609041095 506766115 /nfs/dbraw/zinc/76/61/15/506766115.db2.gz CLRISAWGEUXZEX-CYBMUJFWSA-N -1 1 354.453 3.346 20 5 FGBDMM Cc1c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)oc2ccccc12 ZINC000609678906 506972834 /nfs/dbraw/zinc/97/28/34/506972834.db2.gz NTZTUMNDJKFDMT-UHFFFAOYSA-N -1 1 364.354 3.267 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2cncnc2)cc1 ZINC000609795905 507004299 /nfs/dbraw/zinc/00/42/99/507004299.db2.gz GTHRMZUZTVAPAB-UHFFFAOYSA-N -1 1 370.390 3.161 20 5 FGBDMM COc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cn2)cc1 ZINC000610203946 507137857 /nfs/dbraw/zinc/13/78/57/507137857.db2.gz WSZHSKYFMVNYAT-UHFFFAOYSA-N -1 1 354.322 3.371 20 5 FGBDMM CSCC1(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000594819574 507289677 /nfs/dbraw/zinc/28/96/77/507289677.db2.gz LCLXPKXUCIVEPC-UHFFFAOYSA-N -1 1 364.876 3.060 20 5 FGBDMM COc1ccc(CSCC(=O)Nc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000611294852 507608261 /nfs/dbraw/zinc/60/82/61/507608261.db2.gz JDUZQQBAGPLADA-UHFFFAOYSA-N -1 1 366.370 3.320 20 5 FGBDMM COc1ccc(C)cc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826190247 607450293 /nfs/dbraw/zinc/45/02/93/607450293.db2.gz VHENUZXJEGEWPN-LLVKDONJSA-N -1 1 354.370 3.265 20 5 FGBDMM COc1ccc(C)cc1[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826190247 607450294 /nfs/dbraw/zinc/45/02/94/607450294.db2.gz VHENUZXJEGEWPN-LLVKDONJSA-N -1 1 354.370 3.265 20 5 FGBDMM O=[N+]([O-])c1ccc(N(Cc2ccco2)Cc2ccco2)cc1-c1nnn[n-]1 ZINC000826498133 607450961 /nfs/dbraw/zinc/45/09/61/607450961.db2.gz IKAPUAOTXMFQQH-UHFFFAOYSA-N -1 1 366.337 3.168 20 5 FGBDMM O=[N+]([O-])c1ccc(N(Cc2ccco2)Cc2ccco2)cc1-c1nn[n-]n1 ZINC000826498133 607450963 /nfs/dbraw/zinc/45/09/63/607450963.db2.gz IKAPUAOTXMFQQH-UHFFFAOYSA-N -1 1 366.337 3.168 20 5 FGBDMM C[C@@H](CN(Cc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000736584918 600685901 /nfs/dbraw/zinc/68/59/01/600685901.db2.gz ZBXOPGGNZQAXQS-AWEZNQCLSA-N -1 1 368.393 3.125 20 5 FGBDMM C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CCC(=O)[O-])CC1 ZINC000827966779 601844604 /nfs/dbraw/zinc/84/46/04/601844604.db2.gz UZZXYWIEDQQCBY-GFCCVEGCSA-N -1 1 374.397 3.283 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])ccc12 ZINC000093909124 700456409 /nfs/dbraw/zinc/45/64/09/700456409.db2.gz OCJKGFCFLRWIIB-UHFFFAOYSA-N -1 1 366.786 3.234 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000101570630 700468379 /nfs/dbraw/zinc/46/83/79/700468379.db2.gz UXAJSAGZMOMRDD-NSHDSACASA-N -1 1 356.787 3.197 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)ccc1Cl ZINC000132876319 700832430 /nfs/dbraw/zinc/83/24/30/700832430.db2.gz CFISRSOKOAEDNC-UHFFFAOYSA-N -1 1 354.771 3.079 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000192731500 712872313 /nfs/dbraw/zinc/87/23/13/712872313.db2.gz RJQZUVMCNBPRQK-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000522752046 714204800 /nfs/dbraw/zinc/20/48/00/714204800.db2.gz PPVASGSQXNRLDW-NSHDSACASA-N -1 1 370.839 3.374 20 5 FGBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000619466300 714839647 /nfs/dbraw/zinc/83/96/47/714839647.db2.gz KLVTYJBYTRTPAA-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1cc(F)ccc1F ZINC000780071385 724445315 /nfs/dbraw/zinc/44/53/15/724445315.db2.gz GKUOXCDDEWCRDT-QMMMGPOBSA-N -1 1 351.261 3.007 20 5 FGBDMM COc1ccc(C)cc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725823554 722423709 /nfs/dbraw/zinc/42/37/09/722423709.db2.gz VLQOYMAKVFIUQN-UHFFFAOYSA-N -1 1 370.814 3.044 20 5 FGBDMM CCOc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725827157 722424199 /nfs/dbraw/zinc/42/41/99/722424199.db2.gz NQIKAKMKTOFIJK-UHFFFAOYSA-N -1 1 370.814 3.125 20 5 FGBDMM CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000727836510 722447958 /nfs/dbraw/zinc/44/79/58/722447958.db2.gz GFTWCGWWYKPXJL-CYBMUJFWSA-N -1 1 352.387 3.034 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC000732221791 722482679 /nfs/dbraw/zinc/48/26/79/722482679.db2.gz JGXYKYUJQWLTHI-LBPRGKRZSA-N -1 1 366.826 3.257 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1nc2ccccc2s1 ZINC000734154771 722504751 /nfs/dbraw/zinc/50/47/51/722504751.db2.gz QPVWZJHQHLQFNM-QMMMGPOBSA-N -1 1 369.449 3.306 20 5 FGBDMM CC(C)(C)[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742281889 722554426 /nfs/dbraw/zinc/55/44/26/722554426.db2.gz STCWUTGIQNZWPT-STQMWFEESA-N -1 1 355.460 3.121 20 5 FGBDMM CC(C)(C(=O)Nc1nc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000790047543 723098761 /nfs/dbraw/zinc/09/87/61/723098761.db2.gz JAZAIBGOHFNVPB-UHFFFAOYSA-N -1 1 353.737 3.404 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCc1cccs1 ZINC000769672448 723691880 /nfs/dbraw/zinc/69/18/80/723691880.db2.gz VBKKOBFUNUQFEA-UHFFFAOYSA-N -1 1 360.844 3.221 20 5 FGBDMM COc1ccccc1CO[N-]C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000799096927 723988254 /nfs/dbraw/zinc/98/82/54/723988254.db2.gz ZGRFSBKOVVEQFT-UHFFFAOYSA-N -1 1 368.748 3.186 20 5 FGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000800052341 724136983 /nfs/dbraw/zinc/13/69/83/724136983.db2.gz RFMLKSVCXRVGLX-UHFFFAOYSA-N -1 1 367.383 3.453 20 5 FGBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)s1 ZINC000809809199 725269887 /nfs/dbraw/zinc/26/98/87/725269887.db2.gz RPPHWPBSGDIGOJ-UHFFFAOYSA-N -1 1 364.807 3.236 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2(c3ccccc3)CC2)cc1Cl ZINC000809814574 725270433 /nfs/dbraw/zinc/27/04/33/725270433.db2.gz RCLOVPLWSFYRRK-UHFFFAOYSA-N -1 1 370.789 3.355 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCC2(F)CCC2)c(Cl)cc1Cl ZINC000809846666 725272873 /nfs/dbraw/zinc/27/28/73/725272873.db2.gz LBMDUDMNRLKPCI-UHFFFAOYSA-N -1 1 371.217 3.462 20 5 FGBDMM O=C(Nc1nc(Br)ccc1[O-])c1cccc([N+](=O)[O-])c1Cl ZINC000816952859 727209574 /nfs/dbraw/zinc/20/95/74/727209574.db2.gz UEGONHAECRBAKU-UHFFFAOYSA-N -1 1 372.562 3.364 20 5 FGBDMM CC(C)Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)n1 ZINC000855706495 731948113 /nfs/dbraw/zinc/94/81/13/731948113.db2.gz JBLFIHIEHCVJEX-UHFFFAOYSA-N -1 1 367.406 3.102 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@H]1CC1(Cl)Cl ZINC000856751034 732054192 /nfs/dbraw/zinc/05/41/92/732054192.db2.gz WCVACEBOKBBIDU-ZETCQYMHSA-N -1 1 373.645 3.110 20 5 FGBDMM O=C([O-])[C@@]1(F)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000901514273 743293434 /nfs/dbraw/zinc/29/34/34/743293434.db2.gz DTOSSIXDGZMOKC-MRXNPFEDSA-N -1 1 350.371 3.322 20 5 FGBDMM C[C@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000903703075 743877373 /nfs/dbraw/zinc/87/73/73/743877373.db2.gz QQRWGUTVTMGHAB-TVQRCGJNSA-N -1 1 357.204 3.042 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000031555893 493948720 /nfs/dbraw/zinc/94/87/20/493948720.db2.gz GDIDBHWGPAOILE-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)c2)no1 ZINC000063849832 494093504 /nfs/dbraw/zinc/09/35/04/494093504.db2.gz SRLXWQAGLHGFPB-UHFFFAOYSA-N -1 1 374.378 3.062 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000055567677 494362891 /nfs/dbraw/zinc/36/28/91/494362891.db2.gz CHWUNZHSNLCSOX-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cc1[N+](=O)[O-] ZINC000045095906 494396542 /nfs/dbraw/zinc/39/65/42/494396542.db2.gz BRRLHHLKNAISDB-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM COc1cc(C(=O)Nc2cc(Cl)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000067139172 494482083 /nfs/dbraw/zinc/48/20/83/494482083.db2.gz JKXHVICHFZXIAJ-UHFFFAOYSA-N -1 1 352.730 3.223 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1C ZINC000091054530 494519713 /nfs/dbraw/zinc/51/97/13/494519713.db2.gz MDRGBYJLZQIVIA-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000126832833 494845806 /nfs/dbraw/zinc/84/58/06/494845806.db2.gz OPACUIXQGXVELP-UHFFFAOYSA-N -1 1 370.818 3.430 20 5 FGBDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000093929045 494936266 /nfs/dbraw/zinc/93/62/66/494936266.db2.gz WUEQBSZKWUOTPU-UHFFFAOYSA-N -1 1 363.395 3.053 20 5 FGBDMM CCc1nc(S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000574339395 505750725 /nfs/dbraw/zinc/75/07/25/505750725.db2.gz GNYXZIJGRIXDLT-SNVBAGLBSA-N -1 1 362.411 3.081 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000119315400 495140384 /nfs/dbraw/zinc/14/03/84/495140384.db2.gz RHLSETBBSBMCHB-NSHDSACASA-N -1 1 373.818 3.283 20 5 FGBDMM COc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000123673299 495169144 /nfs/dbraw/zinc/16/91/44/495169144.db2.gz RDZCDHBNJSVHRE-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM Cc1cc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc([N+](=O)[O-])c1 ZINC000139739644 495482474 /nfs/dbraw/zinc/48/24/74/495482474.db2.gz OXKGFQNUVRYWOL-UHFFFAOYSA-N -1 1 368.389 3.344 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000580653681 505806665 /nfs/dbraw/zinc/80/66/65/505806665.db2.gz VUZNHSDGWQVRLF-UHFFFAOYSA-N -1 1 370.337 3.067 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 ZINC000172183099 496198103 /nfs/dbraw/zinc/19/81/03/496198103.db2.gz AVUGMFUXEUYPDK-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM O=C(N[C@H](Cc1ccccc1)c1cccs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187101383 496292834 /nfs/dbraw/zinc/29/28/34/496292834.db2.gz RCIYYVPOFJVJIR-CQSZACIVSA-N -1 1 369.402 3.471 20 5 FGBDMM CCc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1 ZINC000187175158 496324904 /nfs/dbraw/zinc/32/49/04/496324904.db2.gz MYIUCSWAAJRNKD-UHFFFAOYSA-N -1 1 354.359 3.106 20 5 FGBDMM CCc1oc2ccccc2c1CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193361896 497361421 /nfs/dbraw/zinc/36/14/21/497361421.db2.gz ZSDRRFZZEKDGIE-UHFFFAOYSA-N -1 1 355.350 3.276 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000193814718 497490590 /nfs/dbraw/zinc/49/05/90/497490590.db2.gz RYZMTDBGTDMCKR-QMMMGPOBSA-N -1 1 360.313 3.052 20 5 FGBDMM O=C(Nc1ccc(Cl)cc1C(=O)N1CCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000263789693 497815659 /nfs/dbraw/zinc/81/56/59/497815659.db2.gz ILCYSIWLVXFKAK-UHFFFAOYSA-N -1 1 362.773 3.065 20 5 FGBDMM O=C([O-])c1cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000311164717 498749582 /nfs/dbraw/zinc/74/95/82/498749582.db2.gz PUQNEZRMCVEFJP-MRXNPFEDSA-N -1 1 355.394 3.370 20 5 FGBDMM O=C([O-])[C@H](CCN1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000570106633 506092176 /nfs/dbraw/zinc/09/21/76/506092176.db2.gz FURZMJFJIWIBJG-QGZVFWFLSA-N -1 1 356.378 3.048 20 5 FGBDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000322102308 498814852 /nfs/dbraw/zinc/81/48/52/498814852.db2.gz AOXWKTIULNSTQB-UHFFFAOYSA-N -1 1 358.807 3.070 20 5 FGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000581964185 506101075 /nfs/dbraw/zinc/10/10/75/506101075.db2.gz BIKUMGHPSGKVQV-CVEARBPZSA-N -1 1 371.393 3.014 20 5 FGBDMM O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298863905 498900827 /nfs/dbraw/zinc/90/08/27/498900827.db2.gz RTVXHKDDAKZTSX-UHFFFAOYSA-N -1 1 366.381 3.160 20 5 FGBDMM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000299097824 498964448 /nfs/dbraw/zinc/96/44/48/498964448.db2.gz VPIXFZWFCIYLNF-GFCCVEGCSA-N -1 1 356.382 3.190 20 5 FGBDMM CCOc1cccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000410330277 499655415 /nfs/dbraw/zinc/65/54/15/499655415.db2.gz WVEBEIPNKWGDEF-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C2CC2)s1 ZINC000431598888 500396774 /nfs/dbraw/zinc/39/67/74/500396774.db2.gz ZQYJJVQOPWQTSK-CYBMUJFWSA-N -1 1 352.437 3.128 20 5 FGBDMM CCOC(=O)c1ccnc([N-]c2cnn(-c3ccccc3)c2C)c1[N+](=O)[O-] ZINC000434953241 500915738 /nfs/dbraw/zinc/91/57/38/500915738.db2.gz AKMACUPIGQWFGA-UHFFFAOYSA-N -1 1 367.365 3.404 20 5 FGBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[nH]n1 ZINC000434972440 500917320 /nfs/dbraw/zinc/91/73/20/500917320.db2.gz OGNBPMXTJPOVET-UHFFFAOYSA-N -1 1 364.408 3.156 20 5 FGBDMM O=[N+]([O-])c1ccc2c(ccn2Cc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445454568 500988652 /nfs/dbraw/zinc/98/86/52/500988652.db2.gz LZMRUNSUPUZERX-UHFFFAOYSA-N -1 1 354.297 3.493 20 5 FGBDMM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000446762467 501162356 /nfs/dbraw/zinc/16/23/56/501162356.db2.gz UCJSYUBZDBSKRV-UHFFFAOYSA-N -1 1 352.350 3.262 20 5 FGBDMM O=C(Nc1cccc(CN2CCSCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436671965 501183790 /nfs/dbraw/zinc/18/37/90/501183790.db2.gz XIMALINUMYEINT-UHFFFAOYSA-N -1 1 373.434 3.102 20 5 FGBDMM O=c1cc(/C=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)nc2nc[n-]n21 ZINC000486168224 502068991 /nfs/dbraw/zinc/06/89/91/502068991.db2.gz FGTVPMZBLIYOTG-PLNGDYQASA-N -1 1 365.374 3.225 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000592901181 506300744 /nfs/dbraw/zinc/30/07/44/506300744.db2.gz KBFMEJWYMZTYMK-MRXNPFEDSA-N -1 1 351.362 3.229 20 5 FGBDMM CC(C)(C)c1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1[N+](=O)[O-] ZINC000588828584 506349504 /nfs/dbraw/zinc/34/95/04/506349504.db2.gz KVYRQQBAZQNDKL-UHFFFAOYSA-N -1 1 374.397 3.001 20 5 FGBDMM O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000508708906 503548912 /nfs/dbraw/zinc/54/89/12/503548912.db2.gz GKUMFYBUSNNEMP-MRXNPFEDSA-N -1 1 368.349 3.281 20 5 FGBDMM O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000512468356 503562581 /nfs/dbraw/zinc/56/25/81/503562581.db2.gz LTXKPFUIQLCPAA-ZWNOBZJWSA-N -1 1 367.283 3.000 20 5 FGBDMM COCCOc1ccc(Cl)cc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000547175179 504010019 /nfs/dbraw/zinc/01/00/19/504010019.db2.gz IQKVEXOGWSRBST-UHFFFAOYSA-N -1 1 364.745 3.319 20 5 FGBDMM CCOc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000541801310 504259338 /nfs/dbraw/zinc/25/93/38/504259338.db2.gz LIBMRBLDPYRABH-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM O=C(Nc1ccccc1)[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000549750679 504888403 /nfs/dbraw/zinc/88/84/03/504888403.db2.gz NEAJXCDMKLOWKC-AWEZNQCLSA-N -1 1 355.394 3.151 20 5 FGBDMM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2)n1 ZINC000551084625 505154095 /nfs/dbraw/zinc/15/40/95/505154095.db2.gz AVGKGVBIHHBACN-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM CC(C)c1noc(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)n1 ZINC000558909371 505527397 /nfs/dbraw/zinc/52/73/97/505527397.db2.gz ILDQEOMBFRQDAL-UHFFFAOYSA-N -1 1 355.354 3.272 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000589559319 506587334 /nfs/dbraw/zinc/58/73/34/506587334.db2.gz KNFUHZPIBFPIKJ-UHFFFAOYSA-N -1 1 350.396 3.275 20 5 FGBDMM O=C([O-])c1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 ZINC000593738837 506756270 /nfs/dbraw/zinc/75/62/70/506756270.db2.gz ZTDIPPQNBWOYNM-UHFFFAOYSA-N -1 1 374.368 3.476 20 5 FGBDMM COc1ccc2oc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c(C)c2c1 ZINC000609316328 506849101 /nfs/dbraw/zinc/84/91/01/506849101.db2.gz KZHJFRKANHNYFS-SNVBAGLBSA-N -1 1 371.349 3.250 20 5 FGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCCC1 ZINC000610261249 507165169 /nfs/dbraw/zinc/16/51/69/507165169.db2.gz UTRIBMGYTUIVCK-MRXNPFEDSA-N -1 1 361.423 3.200 20 5 FGBDMM Cc1sc(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000595417552 507487970 /nfs/dbraw/zinc/48/79/70/507487970.db2.gz IUGRWPNSNCXWMI-UHFFFAOYSA-N -1 1 360.379 3.222 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cc(OC)c1 ZINC000598709655 507562835 /nfs/dbraw/zinc/56/28/35/507562835.db2.gz LKRPEUYZQZDVKP-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[nH]nc1C(C)C ZINC000592384978 507630030 /nfs/dbraw/zinc/63/00/30/507630030.db2.gz FQAWVSVQDSMRJP-UHFFFAOYSA-N -1 1 352.416 3.167 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[nH]nc1C(C)C ZINC000592385022 507632057 /nfs/dbraw/zinc/63/20/57/507632057.db2.gz JFMOQGZUQHFBFG-UHFFFAOYSA-N -1 1 352.416 3.167 20 5 FGBDMM CC1(C(=O)[O-])CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000592424020 507652489 /nfs/dbraw/zinc/65/24/89/507652489.db2.gz RSFZIYZWUNIMIU-UHFFFAOYSA-N -1 1 361.423 3.405 20 5 FGBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)cc2Cl)c(-c2nnn[n-]2)c1 ZINC000738374935 599325334 /nfs/dbraw/zinc/32/53/34/599325334.db2.gz UDLBNRIEBJMGFO-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM O=[N+]([O-])c1cnc(Oc2ccc(Cl)cc2Cl)c(-c2nn[n-]n2)c1 ZINC000738374935 599325336 /nfs/dbraw/zinc/32/53/36/599325336.db2.gz UDLBNRIEBJMGFO-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM C[C@H](CN(Cc1ccccc1)Cn1ncc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000736584921 600685933 /nfs/dbraw/zinc/68/59/33/600685933.db2.gz ZBXOPGGNZQAXQS-CQSZACIVSA-N -1 1 368.393 3.125 20 5 FGBDMM Cc1ccc2nc(CNc3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000832958822 600804731 /nfs/dbraw/zinc/80/47/31/600804731.db2.gz LEKAHSZWONXTNK-DAXSKMNVSA-N -1 1 352.350 3.489 20 5 FGBDMM O=C([O-])N1CCC[C@@H]1[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000740514706 602378034 /nfs/dbraw/zinc/37/80/34/602378034.db2.gz DWYVKYWNDOGATB-IUODEOHRSA-N -1 1 351.378 3.088 20 5 FGBDMM CC[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820927129 606479112 /nfs/dbraw/zinc/47/91/12/606479112.db2.gz ZJBOSXSGGKGTDO-SECBINFHSA-N -1 1 365.806 3.448 20 5 FGBDMM CC[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820927129 606479114 /nfs/dbraw/zinc/47/91/14/606479114.db2.gz ZJBOSXSGGKGTDO-SECBINFHSA-N -1 1 365.806 3.448 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CC(c2cccc(Cl)c2)C1 ZINC000823620872 606714319 /nfs/dbraw/zinc/71/43/19/606714319.db2.gz RQYCUCRNOARHHC-UHFFFAOYSA-N -1 1 371.788 3.181 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CC(c2cccc(Cl)c2)C1 ZINC000823620872 606714321 /nfs/dbraw/zinc/71/43/21/606714321.db2.gz RQYCUCRNOARHHC-UHFFFAOYSA-N -1 1 371.788 3.181 20 5 FGBDMM CC(C)(C)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(-c2nnn[n-]2)s1 ZINC000824131187 607929205 /nfs/dbraw/zinc/92/92/05/607929205.db2.gz WNVLJSVCGKKYTE-UHFFFAOYSA-N -1 1 372.410 3.386 20 5 FGBDMM CC(C)(C)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(-c2nn[n-]n2)s1 ZINC000824131187 607929206 /nfs/dbraw/zinc/92/92/06/607929206.db2.gz WNVLJSVCGKKYTE-UHFFFAOYSA-N -1 1 372.410 3.386 20 5 FGBDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000120493630 700655608 /nfs/dbraw/zinc/65/56/08/700655608.db2.gz QGHDIKPIODOMJC-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM CCC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525702864 714370165 /nfs/dbraw/zinc/37/01/65/714370165.db2.gz PDXGRWIDYYRSHH-OAHLLOKOSA-N -1 1 363.439 3.070 20 5 FGBDMM COc1cc(C)cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1C ZINC000782486593 724674641 /nfs/dbraw/zinc/67/46/41/724674641.db2.gz XMAGJNMERUYUML-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCc1cccc(Cl)c1 ZINC000746188739 722594518 /nfs/dbraw/zinc/59/45/18/722594518.db2.gz LFBSLSMUTRAWPQ-UHFFFAOYSA-N -1 1 372.805 3.298 20 5 FGBDMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000753952972 722919941 /nfs/dbraw/zinc/91/99/41/722919941.db2.gz DPBIWZFPDXQBLA-UHFFFAOYSA-N -1 1 372.834 3.443 20 5 FGBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000789930231 723085828 /nfs/dbraw/zinc/08/58/28/723085828.db2.gz LPYINGABGBEFKS-QMMMGPOBSA-N -1 1 353.787 3.468 20 5 FGBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(Cl)ccc1[O-] ZINC000789930230 723085959 /nfs/dbraw/zinc/08/59/59/723085959.db2.gz LPYINGABGBEFKS-MRVPVSSYSA-N -1 1 353.787 3.468 20 5 FGBDMM Cc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1O ZINC000762455935 723244594 /nfs/dbraw/zinc/24/45/94/723244594.db2.gz OERMYGAUBDVMJR-UHFFFAOYSA-N -1 1 354.359 3.166 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC000768845525 723669350 /nfs/dbraw/zinc/66/93/50/723669350.db2.gz FDKYPKZLZHPRMG-ZETCQYMHSA-N -1 1 364.807 3.488 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2)C1 ZINC000797841618 723871073 /nfs/dbraw/zinc/87/10/73/723871073.db2.gz VZENXNAMFRLKRG-MQMHXKEQSA-N -1 1 366.826 3.473 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCCC(F)(F)C1 ZINC000800146337 724154750 /nfs/dbraw/zinc/15/47/50/724154750.db2.gz QZEHWCVQPZUNGM-VIFPVBQESA-N -1 1 368.789 3.352 20 5 FGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC000808327881 725194521 /nfs/dbraw/zinc/19/45/21/725194521.db2.gz HSAJUFQLPFSRIB-NSHDSACASA-N -1 1 372.752 3.176 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C(C2CC2)C2CC2)c(Cl)cc1Cl ZINC000809807798 725269811 /nfs/dbraw/zinc/26/98/11/725269811.db2.gz SPPSXXRTCWGNAD-UHFFFAOYSA-N -1 1 365.238 3.369 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCC2CC2)c(Cl)cc1Cl ZINC000809818180 725270597 /nfs/dbraw/zinc/27/05/97/725270597.db2.gz CPSJDDNATVHHLA-UHFFFAOYSA-N -1 1 353.227 3.370 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c(Cl)cc1Cl ZINC000809828967 725271479 /nfs/dbraw/zinc/27/14/79/725271479.db2.gz TYLTZPQTJMXAID-UHFFFAOYSA-N -1 1 365.238 3.370 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)c1 ZINC000841563507 730257001 /nfs/dbraw/zinc/25/70/01/730257001.db2.gz OYUXIKZGDHZIRT-MRVPVSSYSA-N -1 1 374.768 3.423 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Cl)s1 ZINC000098117902 495058083 /nfs/dbraw/zinc/05/80/83/495058083.db2.gz KVYHNSSSHFGRCT-LLVKDONJSA-N -1 1 358.828 3.276 20 5 FGBDMM Cc1sc(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)cc1[N+](=O)[O-] ZINC000180880197 496183631 /nfs/dbraw/zinc/18/36/31/496183631.db2.gz ODBQKTNGIDNZFM-UHFFFAOYSA-N -1 1 361.358 3.065 20 5 FGBDMM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)o1 ZINC000186919416 496211055 /nfs/dbraw/zinc/21/10/55/496211055.db2.gz VYWQJMZLIBWVPB-QMTHXVAHSA-N -1 1 357.366 3.217 20 5 FGBDMM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000175621832 496469531 /nfs/dbraw/zinc/46/95/31/496469531.db2.gz IEWLPLXZGLDJTD-QMMMGPOBSA-N -1 1 361.832 3.053 20 5 FGBDMM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000173378339 496664919 /nfs/dbraw/zinc/66/49/19/496664919.db2.gz SRLGHSHTUDEARR-NSHDSACASA-N -1 1 370.452 3.137 20 5 FGBDMM COc1ccc(N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1[N-]S(C)(=O)=O ZINC000266448903 497344366 /nfs/dbraw/zinc/34/43/66/497344366.db2.gz ITHSWDJLVQGAIX-NSHDSACASA-N -1 1 365.411 3.148 20 5 FGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1C(=O)N1CCCCC1 ZINC000279177099 497357272 /nfs/dbraw/zinc/35/72/72/497357272.db2.gz HWFHAVHEJKUJBU-UHFFFAOYSA-N -1 1 356.382 3.110 20 5 FGBDMM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193434654 497379603 /nfs/dbraw/zinc/37/96/03/497379603.db2.gz ZRPMWYGIVSQFMZ-UHFFFAOYSA-N -1 1 356.165 3.274 20 5 FGBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000280135556 497659526 /nfs/dbraw/zinc/65/95/26/497659526.db2.gz VOEJQMGZCSJNSW-UHFFFAOYSA-N -1 1 359.386 3.343 20 5 FGBDMM COc1cccc(C=C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1 ZINC000268534604 497775658 /nfs/dbraw/zinc/77/56/58/497775658.db2.gz FGWJHYPKAMESGH-UHFFFAOYSA-N -1 1 369.377 3.024 20 5 FGBDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288122992 498948950 /nfs/dbraw/zinc/94/89/50/498948950.db2.gz BTMIJCCLYCNRSY-UHFFFAOYSA-N -1 1 372.425 3.011 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000412667637 499874116 /nfs/dbraw/zinc/87/41/16/499874116.db2.gz HUQQKAAJOLQJQK-HNNXBMFYSA-N -1 1 353.378 3.105 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000442241356 500574597 /nfs/dbraw/zinc/57/45/97/500574597.db2.gz KQOIEMFKEURHMV-UHFFFAOYSA-N -1 1 366.395 3.191 20 5 FGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c1 ZINC000447787422 500661628 /nfs/dbraw/zinc/66/16/28/500661628.db2.gz KKTYUUXGPFMJNF-UHFFFAOYSA-N -1 1 362.285 3.136 20 5 FGBDMM O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000448286912 500744069 /nfs/dbraw/zinc/74/40/69/500744069.db2.gz DYZOGVCNUCBAMJ-UHFFFAOYSA-N -1 1 365.271 3.380 20 5 FGBDMM Cc1ccc(C(=O)c2ccsc2[N-]C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000448453191 500761362 /nfs/dbraw/zinc/76/13/62/500761362.db2.gz WDNPHKBZLDBVEL-UHFFFAOYSA-N -1 1 370.390 3.182 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N=c2cc(-c3cc(C)ccc3F)[n-][nH]2)c1 ZINC000444809639 500904830 /nfs/dbraw/zinc/90/48/30/500904830.db2.gz YKFHPADKBCKXHH-UHFFFAOYSA-N -1 1 354.341 3.415 20 5 FGBDMM O=C(N[C@@H](c1ccccc1F)C1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445008689 500932254 /nfs/dbraw/zinc/93/22/54/500932254.db2.gz QHQGKOANRGLGOE-MRXNPFEDSA-N -1 1 359.357 3.496 20 5 FGBDMM C[C@]1(CCc2ccccc2)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445010758 500932904 /nfs/dbraw/zinc/93/29/04/500932904.db2.gz OMUMMFVUXQTOKF-IBGZPJMESA-N -1 1 355.394 3.180 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)ccc1F ZINC000436170506 501083206 /nfs/dbraw/zinc/08/32/06/501083206.db2.gz DBCCFADQBLETHC-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM COc1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1[N+](=O)[O-] ZINC000436826391 501217284 /nfs/dbraw/zinc/21/72/84/501217284.db2.gz OUJQDCHDHMQSRB-UHFFFAOYSA-N -1 1 352.346 3.392 20 5 FGBDMM O=C(NC1(c2cccc(C(F)(F)F)c2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000456386294 501514706 /nfs/dbraw/zinc/51/47/06/501514706.db2.gz AFPUDGFZXGDEIX-UHFFFAOYSA-N -1 1 367.283 3.133 20 5 FGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(CC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000474432566 501834583 /nfs/dbraw/zinc/83/45/83/501834583.db2.gz LYOFSHWNUODHSB-UHFFFAOYSA-N -1 1 372.834 3.279 20 5 FGBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000471113528 501923986 /nfs/dbraw/zinc/92/39/86/501923986.db2.gz AVZQLEISRTZVSY-UHFFFAOYSA-N -1 1 372.358 3.247 20 5 FGBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]n1 ZINC000485878604 501972336 /nfs/dbraw/zinc/97/23/36/501972336.db2.gz BLCNFUKVKKXFFR-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1cccs1 ZINC000462492076 502462772 /nfs/dbraw/zinc/46/27/72/502462772.db2.gz FUJVLOJCRODRIA-JTQLQIEISA-N -1 1 374.871 3.467 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000476930569 502624300 /nfs/dbraw/zinc/62/43/00/502624300.db2.gz GYZYBZYTJDKHQH-UHFFFAOYSA-N -1 1 366.826 3.473 20 5 FGBDMM O=C(N[C@H]1CCCC[C@H]1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484728198 502722847 /nfs/dbraw/zinc/72/28/47/502722847.db2.gz NLYVRNXHQGQPTK-HOCLYGCPSA-N -1 1 355.394 3.227 20 5 FGBDMM CCCOc1cc(F)ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000470460737 502783471 /nfs/dbraw/zinc/78/34/71/502783471.db2.gz YVYSTQAXDSKUBR-UHFFFAOYSA-N -1 1 370.358 3.029 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc2[nH]ncc21 ZINC000499270266 503370240 /nfs/dbraw/zinc/37/02/40/503370240.db2.gz WMUSGPRCLCSEHC-UHFFFAOYSA-N -1 1 366.786 3.234 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(SC)ccc2C)cc1[N+](=O)[O-] ZINC000540498452 503793950 /nfs/dbraw/zinc/79/39/50/503793950.db2.gz APMILEOZZBAXOU-UHFFFAOYSA-N -1 1 368.436 3.435 20 5 FGBDMM Cc1cccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1Cl ZINC000537197119 503836250 /nfs/dbraw/zinc/83/62/50/503836250.db2.gz LPTPOXCPLZPEHM-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1Cc1ccccc1 ZINC000546817151 503889746 /nfs/dbraw/zinc/88/97/46/503889746.db2.gz UDVQHXWWQINFTA-QGZVFWFLSA-N -1 1 369.421 3.037 20 5 FGBDMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000538754257 504358446 /nfs/dbraw/zinc/35/84/46/504358446.db2.gz HGROHRCGJMBDTE-UHFFFAOYSA-N -1 1 350.396 3.493 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n[nH]c1-c1ccccc1 ZINC000536308118 504693212 /nfs/dbraw/zinc/69/32/12/504693212.db2.gz AVSWWMHGCSWQOU-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1CN(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000521257542 504695965 /nfs/dbraw/zinc/69/59/65/504695965.db2.gz LUXPDEMMIITHJR-CQSZACIVSA-N -1 1 358.394 3.326 20 5 FGBDMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000539853645 504718202 /nfs/dbraw/zinc/71/82/02/504718202.db2.gz JRDJEUKSROWPKD-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000549522834 504841540 /nfs/dbraw/zinc/84/15/40/504841540.db2.gz ZXISHDSMZCFETQ-STQMWFEESA-N -1 1 366.826 3.330 20 5 FGBDMM C[C@@H](c1ccsc1)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000566012932 505054756 /nfs/dbraw/zinc/05/47/56/505054756.db2.gz YUOXKTPQVMFVIC-LBPRGKRZSA-N -1 1 361.423 3.238 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000593737862 506754108 /nfs/dbraw/zinc/75/41/08/506754108.db2.gz XKKGRNDRIBFDRC-AWEZNQCLSA-N -1 1 358.369 3.497 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)c1ccccc1 ZINC000609075925 506771568 /nfs/dbraw/zinc/77/15/68/506771568.db2.gz CNTMZYPHLSTUAR-LLVKDONJSA-N -1 1 354.453 3.301 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000609673791 506971515 /nfs/dbraw/zinc/97/15/15/506971515.db2.gz SWLQZGCHTDEQFJ-AWEZNQCLSA-N -1 1 374.340 3.485 20 5 FGBDMM CC(C)c1ccc(C(C)(C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610262960 507167271 /nfs/dbraw/zinc/16/72/71/507167271.db2.gz MQPKRJFTCBRYJE-UHFFFAOYSA-N -1 1 363.439 3.327 20 5 FGBDMM CO[C@@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)C1CCCC1 ZINC000594695864 507241911 /nfs/dbraw/zinc/24/19/11/507241911.db2.gz KEJFIMPDHOHVRM-INIZCTEOSA-N -1 1 356.444 3.159 20 5 FGBDMM CCN(CCOc1ccccc1OC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000595279687 507447043 /nfs/dbraw/zinc/44/70/43/507447043.db2.gz WQYNYZDORORYNU-UHFFFAOYSA-N -1 1 374.393 3.203 20 5 FGBDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cc1O ZINC000598711826 507564033 /nfs/dbraw/zinc/56/40/33/507564033.db2.gz HDDDTMJNROOOLY-UHFFFAOYSA-N -1 1 350.396 3.335 20 5 FGBDMM C[C@@H](CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CC1)C(=O)[O-] ZINC000736584729 599933646 /nfs/dbraw/zinc/93/36/46/599933646.db2.gz XWOWXWRAOWXDFD-VIFPVBQESA-N -1 1 351.384 3.015 20 5 FGBDMM COc1ccc([C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737968544 600215814 /nfs/dbraw/zinc/21/58/14/600215814.db2.gz HDKQGATXRBKFSU-HNNXBMFYSA-N -1 1 350.758 3.172 20 5 FGBDMM CC[C@@H](C)Oc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820876122 606700937 /nfs/dbraw/zinc/70/09/37/606700937.db2.gz MALNZFDHKHZAPF-SNVBAGLBSA-N -1 1 355.358 3.091 20 5 FGBDMM CC[C@@H](C)Oc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820876122 606700941 /nfs/dbraw/zinc/70/09/41/606700941.db2.gz MALNZFDHKHZAPF-SNVBAGLBSA-N -1 1 355.358 3.091 20 5 FGBDMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000132645407 700829719 /nfs/dbraw/zinc/82/97/19/700829719.db2.gz PURSBXNGPMFMAH-UHFFFAOYSA-N -1 1 366.370 3.436 20 5 FGBDMM O=C(Cc1ccccc1[N+](=O)[O-])[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160707285 705259788 /nfs/dbraw/zinc/25/97/88/705259788.db2.gz JKWULWPSWYEDNT-UHFFFAOYSA-N -1 1 354.284 3.404 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc([N+](=O)[O-])c1F ZINC000180069212 705727108 /nfs/dbraw/zinc/72/71/08/705727108.db2.gz SXYQIIWLTZJBJI-UHFFFAOYSA-N -1 1 366.370 3.168 20 5 FGBDMM O=c1cc(C(F)(F)F)nc(SCCOc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000522830757 714207579 /nfs/dbraw/zinc/20/75/79/714207579.db2.gz WEBHWGXNWQMTNE-UHFFFAOYSA-N -1 1 361.301 3.280 20 5 FGBDMM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc([O-])c(F)c1 ZINC000618872588 714784049 /nfs/dbraw/zinc/78/40/49/714784049.db2.gz VUNQYOHEWJZNPF-UHFFFAOYSA-N -1 1 358.247 3.388 20 5 FGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nnc(-c2cccs2)o1 ZINC000780074050 724445365 /nfs/dbraw/zinc/44/53/65/724445365.db2.gz BMXOJFXBWGCAJA-QMMMGPOBSA-N -1 1 361.335 3.330 20 5 FGBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000725818494 722423373 /nfs/dbraw/zinc/42/33/73/722423373.db2.gz PDYFOFQJIVDPOA-LLVKDONJSA-N -1 1 354.815 3.330 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(F)cc1F ZINC000725828179 722424188 /nfs/dbraw/zinc/42/41/88/722424188.db2.gz ADFFPMXSYLCAQV-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c3nsnc3ccc2Cl)cc1 ZINC000742231675 722553587 /nfs/dbraw/zinc/55/35/87/722553587.db2.gz CCPGVUDKGNLZAE-UHFFFAOYSA-N -1 1 370.799 3.054 20 5 FGBDMM Cc1noc(C)c1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754986074 722948864 /nfs/dbraw/zinc/94/88/64/722948864.db2.gz FLSZIXFXEJBDCY-UHFFFAOYSA-N -1 1 358.123 3.354 20 5 FGBDMM C[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000755315033 722952270 /nfs/dbraw/zinc/95/22/70/722952270.db2.gz GCPNHLCJIAFPGY-MRVPVSSYSA-N -1 1 360.757 3.321 20 5 FGBDMM Cc1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])ccc1Cl ZINC000758634844 722992756 /nfs/dbraw/zinc/99/27/56/722992756.db2.gz IJBHBPNRVHZGRU-UHFFFAOYSA-N -1 1 358.778 3.174 20 5 FGBDMM Cc1noc(C2CC2)c1[N-]C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798177907 723910786 /nfs/dbraw/zinc/91/07/86/723910786.db2.gz SNPJDUHTXCZACI-UHFFFAOYSA-N -1 1 367.159 3.178 20 5 FGBDMM O=C([N-]CC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000798403042 723929586 /nfs/dbraw/zinc/92/95/86/723929586.db2.gz IVCWVVIAZBTNJY-UHFFFAOYSA-N -1 1 365.739 3.143 20 5 FGBDMM CO[C@H](COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000801289806 724288176 /nfs/dbraw/zinc/28/81/76/724288176.db2.gz KMIWZAKZBDTFJJ-OAHLLOKOSA-N -1 1 351.742 3.498 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000814979445 727016577 /nfs/dbraw/zinc/01/65/77/727016577.db2.gz OGVJFRRLRHWGKC-UHFFFAOYSA-N -1 1 369.157 3.112 20 5 FGBDMM Cc1cscc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815039979 727024699 /nfs/dbraw/zinc/02/46/99/727024699.db2.gz RRXVKLVWINWSOU-UHFFFAOYSA-N -1 1 364.807 3.236 20 5 FGBDMM Cc1csc([C@@H](C)[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000848581737 731185516 /nfs/dbraw/zinc/18/55/16/731185516.db2.gz QEXQXUQKFZQAFY-SECBINFHSA-N -1 1 357.338 3.209 20 5 FGBDMM C[C@@H](CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1)C(=O)[O-] ZINC000901993019 743694066 /nfs/dbraw/zinc/69/40/66/743694066.db2.gz NQVIGDOWWMGHHA-NSHDSACASA-N -1 1 361.423 3.403 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000918194765 758315273 /nfs/dbraw/zinc/31/52/73/758315273.db2.gz VNSZBYYZYDZNKK-YNEHKIRRSA-N -1 1 356.419 3.371 20 5 FGBDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)no1 ZINC000063849670 205296384 /nfs/dbraw/zinc/29/63/84/205296384.db2.gz OBBZZAAKAHXAOX-UHFFFAOYSA-N -1 1 374.378 3.062 20 5 FGBDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000029403513 493837390 /nfs/dbraw/zinc/83/73/90/493837390.db2.gz IBZUWBOGCIJAPQ-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM CCc1onc(C)c1[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000089409654 494301067 /nfs/dbraw/zinc/30/10/67/494301067.db2.gz ZWMRJXCJXWBYBH-UHFFFAOYSA-N -1 1 354.160 3.468 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSc3c(F)cccc32)s1 ZINC000066327587 494311952 /nfs/dbraw/zinc/31/19/52/494311952.db2.gz LQULDEGCQUKXKK-JTQLQIEISA-N -1 1 374.440 3.311 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)cc1[N+](=O)[O-] ZINC000016130706 494378960 /nfs/dbraw/zinc/37/89/60/494378960.db2.gz YNYMRZRTDRTWPT-UHFFFAOYSA-N -1 1 362.407 3.283 20 5 FGBDMM CSCCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000067899602 494688217 /nfs/dbraw/zinc/68/82/17/494688217.db2.gz BSEGMIWSLWDEHK-UHFFFAOYSA-N 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358.416 3.052 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000119797613 700638935 /nfs/dbraw/zinc/63/89/35/700638935.db2.gz DUVNIQJXILSTQJ-GFCCVEGCSA-N -1 1 362.379 3.364 20 5 FGBDMM CCCc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n[nH]1 ZINC000126520931 700749528 /nfs/dbraw/zinc/74/95/28/700749528.db2.gz ZMMFILJVBPPTMF-UHFFFAOYSA-N -1 1 358.807 3.033 20 5 FGBDMM O=C([N-]c1nncs1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000135939996 704855568 /nfs/dbraw/zinc/85/55/68/704855568.db2.gz IBMFDDKIPCNFRH-UHFFFAOYSA-N -1 1 363.580 3.115 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCSc2ccccc21 ZINC000194335503 713519009 /nfs/dbraw/zinc/51/90/09/713519009.db2.gz BFVCSBMHDLKGDB-GFCCVEGCSA-N -1 1 368.411 3.249 20 5 FGBDMM CCC(C)(C)C1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525601431 714361769 /nfs/dbraw/zinc/36/17/69/714361769.db2.gz GKLSHTOXDZKOPU-UHFFFAOYSA-N -1 1 355.460 3.263 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000728060876 722449882 /nfs/dbraw/zinc/44/98/82/722449882.db2.gz WEKBLXGMYYVFOR-LBPRGKRZSA-N -1 1 366.414 3.379 20 5 FGBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000728590668 722452914 /nfs/dbraw/zinc/45/29/14/722452914.db2.gz HHNDGOJDYLVFSZ-UHFFFAOYSA-N -1 1 370.377 3.129 20 5 FGBDMM Cc1cccc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C ZINC000734502136 722507956 /nfs/dbraw/zinc/50/79/56/722507956.db2.gz FRUPAAMNRTUERM-LBPRGKRZSA-N -1 1 352.387 3.390 20 5 FGBDMM Cc1cccc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C ZINC000734502135 722507972 /nfs/dbraw/zinc/50/79/72/722507972.db2.gz FRUPAAMNRTUERM-GFCCVEGCSA-N -1 1 352.387 3.390 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1csc2ccccc21 ZINC000742293966 722554653 /nfs/dbraw/zinc/55/46/53/722554653.db2.gz QDQUPORNFOJFCW-JTQLQIEISA-N -1 1 363.420 3.244 20 5 FGBDMM O=C(Nc1ccc(N2CCSCC2)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000748778097 722703925 /nfs/dbraw/zinc/70/39/25/722703925.db2.gz SSIHDOAFJJOONN-UHFFFAOYSA-N -1 1 366.830 3.382 20 5 FGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)CC2Cc3ccccc3C2)ccc1Cl ZINC000753021461 722882203 /nfs/dbraw/zinc/88/22/03/722882203.db2.gz VYZNRFHNPVUDPS-UHFFFAOYSA-N -1 1 366.826 3.405 20 5 FGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2CN(C)C)c1[N+](=O)[O-] ZINC000790634532 723161617 /nfs/dbraw/zinc/16/16/17/723161617.db2.gz OFPUGQKQZHCRIV-UHFFFAOYSA-N -1 1 363.439 3.074 20 5 FGBDMM COC(=O)c1cc([N-]C(=O)c2nc(Cl)ccc2F)c(C)c([N+](=O)[O-])c1 ZINC000792630711 723352228 /nfs/dbraw/zinc/35/22/28/723352228.db2.gz DKZJLIPYWVFBIP-UHFFFAOYSA-N -1 1 367.720 3.130 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c(C)cc1C ZINC000794614124 723535127 /nfs/dbraw/zinc/53/51/27/723535127.db2.gz RAIQBCTYXMUFFV-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)c1ccncc1 ZINC000786980221 725011374 /nfs/dbraw/zinc/01/13/74/725011374.db2.gz XYGBYCGHGGJQHN-GFCCVEGCSA-N -1 1 373.793 3.212 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c(Cl)n1 ZINC000788218215 725050688 /nfs/dbraw/zinc/05/06/88/725050688.db2.gz YSHUAQINOLANKF-UHFFFAOYSA-N -1 1 362.194 3.406 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c(Cl)cc1Cl ZINC000809818714 725270722 /nfs/dbraw/zinc/27/07/22/725270722.db2.gz OZHGZOTXFVBBGD-MRVPVSSYSA-N -1 1 351.211 3.289 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)c1Cl ZINC000828364240 729442685 /nfs/dbraw/zinc/44/26/85/729442685.db2.gz CCBFQVVGEOHEAV-IWSPIJDZSA-N -1 1 365.238 3.369 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CC=CCC2)c1Cl ZINC000830564807 729572035 /nfs/dbraw/zinc/57/20/35/729572035.db2.gz VTDDKYCMFUUPEL-MRVPVSSYSA-N -1 1 351.211 3.289 20 5 FGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000903123453 743809601 /nfs/dbraw/zinc/80/96/01/743809601.db2.gz OJMXMWAXJBTSAR-NSHDSACASA-N -1 1 371.217 3.368 20 5 FGBDMM C[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000903703074 743877465 /nfs/dbraw/zinc/87/74/65/743877465.db2.gz QQRWGUTVTMGHAB-RNCFNFMXSA-N -1 1 357.204 3.042 20 5 FGBDMM C[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H](C(=O)[O-])C1 ZINC000903904590 743894882 /nfs/dbraw/zinc/89/48/82/743894882.db2.gz LXDCTTKYNWPVNP-TVQRCGJNSA-N -1 1 357.204 3.042 20 5 FGBDMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903911439 743896492 /nfs/dbraw/zinc/89/64/92/743896492.db2.gz GPOBRBXQMVKARZ-JGPRNRPPSA-N -1 1 371.231 3.431 20 5 FGBDMM CC[C@]1(C(=O)[O-])CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923473675 759126810 /nfs/dbraw/zinc/12/68/10/759126810.db2.gz UDGUHAYIQOBCSK-HNNXBMFYSA-N -1 1 371.231 3.434 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)cc1[N+](=O)[O-] ZINC000119770446 206105180 /nfs/dbraw/zinc/10/51/80/206105180.db2.gz HCLMWESUSWXLOY-UHFFFAOYSA-N -1 1 359.363 3.359 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)ccc1Br ZINC000006919662 206243254 /nfs/dbraw/zinc/24/32/54/206243254.db2.gz ZIUWCWVQRJAOTA-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM Cc1cc(NC2CCN(Cc3ccccn3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570804885 505584762 /nfs/dbraw/zinc/58/47/62/505584762.db2.gz FYBPCVQIQQUPLC-UHFFFAOYSA-N -1 1 370.409 3.073 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1OC ZINC000030529992 493895080 /nfs/dbraw/zinc/89/50/80/493895080.db2.gz XORGTINHPZTVEY-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000580179147 505696877 /nfs/dbraw/zinc/69/68/77/505696877.db2.gz GNWNJIUQDWMLAA-SSDOTTSWSA-N -1 1 370.337 3.147 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)n[nH]1 ZINC000126781587 494837518 /nfs/dbraw/zinc/83/75/18/494837518.db2.gz SLCQLDFCKCYIFV-UHFFFAOYSA-N -1 1 352.416 3.016 20 5 FGBDMM Cc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1Br ZINC000132476449 494880571 /nfs/dbraw/zinc/88/05/71/494880571.db2.gz XAXJYHPLCSTXJZ-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000122964483 495060476 /nfs/dbraw/zinc/06/04/76/495060476.db2.gz MEGHBDKSUJYVCK-DTWKUNHWSA-N -1 1 372.390 3.364 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000120391510 495366682 /nfs/dbraw/zinc/36/66/82/495366682.db2.gz UJOWRCJUTCWPHZ-LBPRGKRZSA-N -1 1 369.468 3.406 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1nccs1 ZINC000120786113 495458017 /nfs/dbraw/zinc/45/80/17/495458017.db2.gz OPADXFMTBCZHNK-LLVKDONJSA-N -1 1 355.441 3.098 20 5 FGBDMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1ccc([N+](=O)[O-])cc1F ZINC000107198797 495523495 /nfs/dbraw/zinc/52/34/95/495523495.db2.gz NUMYNGLDXZXSPM-UHFFFAOYSA-N -1 1 358.354 3.429 20 5 FGBDMM CC(C)CCn1ncc([N-]c2nccc(C(N)=O)c2[N+](=O)[O-])c1C(C)C ZINC000580607702 505795927 /nfs/dbraw/zinc/79/59/27/505795927.db2.gz FDSLRVXQMKOLEI-UHFFFAOYSA-N -1 1 360.418 3.198 20 5 FGBDMM O=C([N-]c1nnc(Cc2ccccc2F)s1)c1csc([N+](=O)[O-])c1 ZINC000170971965 495673450 /nfs/dbraw/zinc/67/34/50/495673450.db2.gz LKFRXVXHXHDUAU-UHFFFAOYSA-N -1 1 364.383 3.490 20 5 FGBDMM CSc1cccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1[N+](=O)[O-] ZINC000186082486 495848909 /nfs/dbraw/zinc/84/89/09/495848909.db2.gz BTEUCUGZOZIQED-UHFFFAOYSA-N -1 1 364.330 3.439 20 5 FGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]n1 ZINC000177773319 496190261 /nfs/dbraw/zinc/19/02/61/496190261.db2.gz AEEHAUWAIQDWRD-SNVBAGLBSA-N -1 1 352.416 3.331 20 5 FGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000186896789 496199220 /nfs/dbraw/zinc/19/92/20/496199220.db2.gz PEHHUWVNQWXJTA-QMMMGPOBSA-N -1 1 355.272 3.205 20 5 FGBDMM Cc1ccc([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)cc1[N+](=O)[O-] ZINC000177865196 496230459 /nfs/dbraw/zinc/23/04/59/496230459.db2.gz UAKYPGCONINOHL-NSHDSACASA-N -1 1 372.425 3.083 20 5 FGBDMM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000187165034 496321886 /nfs/dbraw/zinc/32/18/86/496321886.db2.gz JNQKAMKVLVGCQN-UHFFFAOYSA-N -1 1 368.386 3.414 20 5 FGBDMM O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cc(F)c([O-])c(F)c1 ZINC000175321225 496338935 /nfs/dbraw/zinc/33/89/35/496338935.db2.gz TWDAYMRECHWBAY-BJMVGYQFSA-N -1 1 371.299 3.233 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1F ZINC000191799298 496893019 /nfs/dbraw/zinc/89/30/19/496893019.db2.gz KDLWULCSYYKYFX-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM O=[N+]([O-])c1c[n-]c(C(F)(F)C(F)(F)F)cc1=NOC[C@H]1CCOC1 ZINC000278572772 497155582 /nfs/dbraw/zinc/15/55/82/497155582.db2.gz XMYBYQLLCHHWFN-ZETCQYMHSA-N -1 1 357.235 3.024 20 5 FGBDMM O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cc(F)c([O-])c(F)c1 ZINC000255392462 497366671 /nfs/dbraw/zinc/36/66/71/497366671.db2.gz TWDAYMRECHWBAY-YHYXMXQVSA-N -1 1 371.299 3.233 20 5 FGBDMM COc1ccc2oc([C@@H](C)NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c(C)c2c1 ZINC000193558842 497413556 /nfs/dbraw/zinc/41/35/56/497413556.db2.gz SILYNSQPYAOTQX-SNVBAGLBSA-N -1 1 371.349 3.250 20 5 FGBDMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193577138 497417563 /nfs/dbraw/zinc/41/75/63/497417563.db2.gz YPNGEFZIMIUMQT-VIFPVBQESA-N -1 1 369.299 3.075 20 5 FGBDMM CSCC[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000277255087 497788882 /nfs/dbraw/zinc/78/88/82/497788882.db2.gz KEYIQOPXNASLGM-CQSZACIVSA-N -1 1 350.396 3.151 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000578555504 505966329 /nfs/dbraw/zinc/96/63/29/505966329.db2.gz KWZZIXCCKGXZCS-LJQANCHMSA-N -1 1 354.406 3.484 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1CN(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000569700524 505996511 /nfs/dbraw/zinc/99/65/11/505996511.db2.gz AUYOIAJFMYJLFR-AWEZNQCLSA-N -1 1 358.394 3.326 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@](F)(c2ccccc2Cl)C1 ZINC000367343912 499184911 /nfs/dbraw/zinc/18/49/11/499184911.db2.gz QPQMDNXONDEWQE-MRXNPFEDSA-N -1 1 365.748 3.060 20 5 FGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000444549332 500858581 /nfs/dbraw/zinc/85/85/81/500858581.db2.gz PUVHEOPPIIELSC-LURJTMIESA-N -1 1 372.200 3.010 20 5 FGBDMM Cc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444970216 500927367 /nfs/dbraw/zinc/92/73/67/500927367.db2.gz ULSDYYHKVAEAMM-PBHICJAKSA-N -1 1 371.393 3.124 20 5 FGBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436238155 501093666 /nfs/dbraw/zinc/09/36/66/501093666.db2.gz CQWTUZVKFIOYOK-UHFFFAOYSA-N -1 1 360.395 3.007 20 5 FGBDMM O=C(c1csc(=NC2CC2)[n-]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452853596 501574861 /nfs/dbraw/zinc/57/48/61/501574861.db2.gz OGGJOMSABYPFMT-CYBMUJFWSA-N -1 1 372.450 3.067 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000485378768 501802933 /nfs/dbraw/zinc/80/29/33/501802933.db2.gz DBGPNXDGHGEUCX-UHFFFAOYSA-N -1 1 361.301 3.410 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c(C)c1C ZINC000475830089 502303249 /nfs/dbraw/zinc/30/32/49/502303249.db2.gz ITIQFTDZPKJHIE-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM CCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000469269990 502356841 /nfs/dbraw/zinc/35/68/41/502356841.db2.gz ZHVPGLADLDNFNE-UHFFFAOYSA-N -1 1 372.786 3.153 20 5 FGBDMM O=C(CCCNc1ccc([N+](=O)[O-])cc1)N=c1cc(-c2cccs2)[n-][nH]1 ZINC000472555702 502383214 /nfs/dbraw/zinc/38/32/14/502383214.db2.gz VHODJCQKJRLSMI-UHFFFAOYSA-N -1 1 371.422 3.299 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000462488299 502460670 /nfs/dbraw/zinc/46/06/70/502460670.db2.gz HZCJWJVYZGPLLB-GXTWGEPZSA-N -1 1 366.826 3.158 20 5 FGBDMM O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000485114827 502816468 /nfs/dbraw/zinc/81/64/68/502816468.db2.gz VRBUTNCKQBURBX-UHFFFAOYSA-N -1 1 365.305 3.084 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc2[nH]ncc21 ZINC000499261255 503367687 /nfs/dbraw/zinc/36/76/87/503367687.db2.gz BTFVYNLIGZUQKB-UHFFFAOYSA-N -1 1 366.786 3.234 20 5 FGBDMM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000515708842 503388625 /nfs/dbraw/zinc/38/86/25/503388625.db2.gz CYGXKFSKVJWUKI-CABZTGNLSA-N -1 1 370.814 3.443 20 5 FGBDMM Cn1ccnc1Sc1ccc(F)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000503610646 503446318 /nfs/dbraw/zinc/44/63/18/503446318.db2.gz GZVCIOVPEOTNLX-UHFFFAOYSA-N -1 1 361.358 3.199 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(Br)s3)no2)[n-]1 ZINC000546292341 503701347 /nfs/dbraw/zinc/70/13/47/503701347.db2.gz JHGZTAWSUPAELB-UHFFFAOYSA-N -1 1 355.173 3.388 20 5 FGBDMM CCC(C)(C)c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000533097627 503730471 /nfs/dbraw/zinc/73/04/71/503730471.db2.gz XQESVGLTAYWSOL-UHFFFAOYSA-N -1 1 363.439 3.156 20 5 FGBDMM COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1F ZINC000534286195 504095292 /nfs/dbraw/zinc/09/52/92/504095292.db2.gz ZMHRNDRYCPNOHG-UHFFFAOYSA-N -1 1 366.370 3.430 20 5 FGBDMM Cc1n[nH]c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1-c1ccccc1 ZINC000535394807 504423671 /nfs/dbraw/zinc/42/36/71/504423671.db2.gz QQNRUFZKNUKWKR-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])cn3)n[nH]2)cc1 ZINC000531888913 504460812 /nfs/dbraw/zinc/46/08/12/504460812.db2.gz RQKDDTVOYDYGMO-UHFFFAOYSA-N -1 1 366.381 3.325 20 5 FGBDMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000535655204 504496410 /nfs/dbraw/zinc/49/64/10/504496410.db2.gz JQJQALBELZDLRP-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM CCOc1ccc(F)c([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1F ZINC000536282357 504687103 /nfs/dbraw/zinc/68/71/03/504687103.db2.gz XGYGLWPRVVIJQH-UHFFFAOYSA-N -1 1 366.276 3.253 20 5 FGBDMM O=C(Nc1cccc(C(=O)NCc2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000536508790 504750924 /nfs/dbraw/zinc/75/09/24/504750924.db2.gz RVVMPXKBFLXHRN-UHFFFAOYSA-N -1 1 364.361 3.105 20 5 FGBDMM COc1ccccc1[C@H]1CC[C@H](C)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000553219838 504855104 /nfs/dbraw/zinc/85/51/04/504855104.db2.gz OZKZOTLBCIKKBN-SWLSCSKDSA-N -1 1 371.393 3.317 20 5 FGBDMM O=C(Nc1ccccc1NC(=O)c1cccs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000555163447 505367943 /nfs/dbraw/zinc/36/79/43/505367943.db2.gz JQEIEJXTXXNIQI-UHFFFAOYSA-N -1 1 356.363 3.489 20 5 FGBDMM Cc1sc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)cc1[N+](=O)[O-] ZINC000599502704 506475419 /nfs/dbraw/zinc/47/54/19/506475419.db2.gz GXODZWCLZGJHOZ-UHFFFAOYSA-N -1 1 372.390 3.366 20 5 FGBDMM CC[C@@H](OCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000593627348 506707840 /nfs/dbraw/zinc/70/78/40/506707840.db2.gz QQLVCBVIAOPBSQ-CYBMUJFWSA-N -1 1 370.452 3.103 20 5 FGBDMM CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000594724471 507254556 /nfs/dbraw/zinc/25/45/56/507254556.db2.gz WELDVLURCTYTAY-OAHLLOKOSA-N -1 1 356.444 3.159 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592176672 507524220 /nfs/dbraw/zinc/52/42/20/507524220.db2.gz BNOXCXSIWYJXLI-LJQANCHMSA-N -1 1 354.406 3.460 20 5 FGBDMM O=[N+]([O-])c1c(NCCC2CC2)cc(NCCC2CC2)cc1-c1nnn[n-]1 ZINC000823629806 599078329 /nfs/dbraw/zinc/07/83/29/599078329.db2.gz HSOCWIUTRVVDSR-UHFFFAOYSA-N -1 1 357.418 3.199 20 5 FGBDMM O=[N+]([O-])c1c(NCCC2CC2)cc(NCCC2CC2)cc1-c1nn[n-]n1 ZINC000823629806 599078332 /nfs/dbraw/zinc/07/83/32/599078332.db2.gz HSOCWIUTRVVDSR-UHFFFAOYSA-N -1 1 357.418 3.199 20 5 FGBDMM Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000738477184 600613091 /nfs/dbraw/zinc/61/30/91/600613091.db2.gz UDGDFQUNUIGUOG-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM C[C@H](CN(Cc1ccccc1)Cn1ncc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000736584994 600685876 /nfs/dbraw/zinc/68/58/76/600685876.db2.gz ZONJCAYBVMRKEN-CQSZACIVSA-N -1 1 368.393 3.125 20 5 FGBDMM COc1cccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC000821863502 607494824 /nfs/dbraw/zinc/49/48/24/607494824.db2.gz MBBPNUSDQZCOHF-MRXNPFEDSA-N -1 1 366.381 3.125 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000823639890 606801792 /nfs/dbraw/zinc/80/17/92/606801792.db2.gz KTDJXHDCYFPWPL-UHFFFAOYSA-N -1 1 372.197 3.150 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000823639890 606801794 /nfs/dbraw/zinc/80/17/94/606801794.db2.gz KTDJXHDCYFPWPL-UHFFFAOYSA-N -1 1 372.197 3.150 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(Cl)cc1Cl ZINC000823624721 607161743 /nfs/dbraw/zinc/16/17/43/607161743.db2.gz GTGVCZNGGGAXDL-UHFFFAOYSA-N -1 1 366.168 3.089 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(Cl)cc1Cl ZINC000823624721 607161745 /nfs/dbraw/zinc/16/17/45/607161745.db2.gz GTGVCZNGGGAXDL-UHFFFAOYSA-N -1 1 366.168 3.089 20 5 FGBDMM C[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824670547 608416607 /nfs/dbraw/zinc/41/66/07/608416607.db2.gz QZIDVFTYNRFAQT-LURJTMIESA-N -1 1 351.779 3.058 20 5 FGBDMM C[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824670547 608416609 /nfs/dbraw/zinc/41/66/09/608416609.db2.gz QZIDVFTYNRFAQT-LURJTMIESA-N -1 1 351.779 3.058 20 5 FGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Br ZINC000094189017 700458124 /nfs/dbraw/zinc/45/81/24/700458124.db2.gz QNZZHUXOXMMQLI-UHFFFAOYSA-N -1 1 357.185 3.158 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000122943016 700697992 /nfs/dbraw/zinc/69/79/92/700697992.db2.gz HFPGPBFCGOUKNK-UHFFFAOYSA-N -1 1 373.843 3.061 20 5 FGBDMM CC(C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000175897684 705563369 /nfs/dbraw/zinc/56/33/69/705563369.db2.gz HDAQWTXOGRLZKP-UHFFFAOYSA-N -1 1 374.340 3.226 20 5 FGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc(-c2cccs2)no1 ZINC000780070406 724445015 /nfs/dbraw/zinc/44/50/15/724445015.db2.gz XGLGMRCOQPCJHQ-MRVPVSSYSA-N -1 1 361.335 3.330 20 5 FGBDMM O=C(OCc1csc(Br)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780073534 724445203 /nfs/dbraw/zinc/44/52/03/724445203.db2.gz AKKZAORHPVBYDS-UHFFFAOYSA-N -1 1 358.169 3.481 20 5 FGBDMM CCO[C@@H](C)c1nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cs1 ZINC000780072444 724445223 /nfs/dbraw/zinc/44/52/23/724445223.db2.gz PYCCRTVBZYOAPE-VIFPVBQESA-N -1 1 352.368 3.211 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000725827475 722424172 /nfs/dbraw/zinc/42/41/72/722424172.db2.gz DKPBCFORLCPOJK-OLZOCXBDSA-N -1 1 370.789 3.222 20 5 FGBDMM COc1cc(C)ccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000757918689 722981237 /nfs/dbraw/zinc/98/12/37/722981237.db2.gz CWFIYSSDKZDXSN-UHFFFAOYSA-N -1 1 370.814 3.044 20 5 FGBDMM CC(C)c1ncc(S(=O)(=O)Oc2cc(F)c([N+](=O)[O-])cc2Cl)[n-]1 ZINC000796208656 723626343 /nfs/dbraw/zinc/62/63/43/723626343.db2.gz SRLWZINHTICRLS-UHFFFAOYSA-N -1 1 363.754 3.002 20 5 FGBDMM CC(C)c1nc(S(=O)(=O)Oc2cc(F)c([N+](=O)[O-])cc2Cl)c[n-]1 ZINC000796208656 723626344 /nfs/dbraw/zinc/62/63/44/723626344.db2.gz SRLWZINHTICRLS-UHFFFAOYSA-N -1 1 363.754 3.002 20 5 FGBDMM C[C@@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768883910 723670939 /nfs/dbraw/zinc/67/09/39/723670939.db2.gz ZCPIENXMLCPGNM-MEBBXXQBSA-N -1 1 352.437 3.258 20 5 FGBDMM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000772964354 723773436 /nfs/dbraw/zinc/77/34/36/723773436.db2.gz QRUYZJOJKHLXDS-MRVPVSSYSA-N -1 1 360.757 3.321 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c(F)c1 ZINC000811832832 725382139 /nfs/dbraw/zinc/38/21/39/725382139.db2.gz ZPMXXXPQIKFMAL-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM CCSCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831393379 729638832 /nfs/dbraw/zinc/63/88/32/729638832.db2.gz NIQFMVKYCCWDQJ-UHFFFAOYSA-N -1 1 373.283 3.323 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)c(C)cc1[N+](=O)[O-] ZINC000840913100 730190654 /nfs/dbraw/zinc/19/06/54/730190654.db2.gz ARWKODWUHNPSKA-LLVKDONJSA-N -1 1 368.386 3.205 20 5 FGBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CS1 ZINC000841559518 730256203 /nfs/dbraw/zinc/25/62/03/730256203.db2.gz MDRYQIGECUQWLB-RQJHMYQMSA-N -1 1 371.267 3.074 20 5 FGBDMM C[C@@]1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000845980440 730914870 /nfs/dbraw/zinc/91/48/70/730914870.db2.gz LTLCKZWJZZNDDH-VXGBXAGGSA-N -1 1 371.217 3.231 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2=CCCC2)c1Cl ZINC000851826328 731504412 /nfs/dbraw/zinc/50/44/12/731504412.db2.gz IOGCLOUGNGKLLM-UHFFFAOYSA-N -1 1 351.211 3.290 20 5 FGBDMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903911440 743896328 /nfs/dbraw/zinc/89/63/28/743896328.db2.gz GPOBRBXQMVKARZ-NXEZZACHSA-N -1 1 371.231 3.431 20 5 FGBDMM O=C([O-])c1cnc([C@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)s1 ZINC000905749349 744051880 /nfs/dbraw/zinc/05/18/80/744051880.db2.gz LHDHZDNKRWZWDH-DXTPNHAXSA-N -1 1 359.407 3.252 20 5 FGBDMM CN(C)[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccsc1 ZINC000914571082 757801213 /nfs/dbraw/zinc/80/12/13/757801213.db2.gz KNECGPNWIZOIJT-DQOPKJQZSA-N -1 1 361.423 3.469 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cc2c(s1)CCCC2 ZINC000918193929 758315075 /nfs/dbraw/zinc/31/50/75/758315075.db2.gz RNYZVKKDZNXSBW-UHFFFAOYSA-N -1 1 370.427 3.153 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000007709374 204304702 /nfs/dbraw/zinc/30/47/02/204304702.db2.gz DHCHITOILRBNGJ-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM O=C(NC1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CCCC1)c1ccccc1 ZINC000570885762 505602577 /nfs/dbraw/zinc/60/25/77/505602577.db2.gz JHBMAIYLMGCQEK-UHFFFAOYSA-N -1 1 367.365 3.172 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000032588623 493997850 /nfs/dbraw/zinc/99/78/50/493997850.db2.gz CGEFAAZFGPLWRP-UHFFFAOYSA-N -1 1 366.395 3.111 20 5 FGBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000036744298 494097406 /nfs/dbraw/zinc/09/74/06/494097406.db2.gz JRMQRFNMHXRUEL-UHFFFAOYSA-N -1 1 357.273 3.199 20 5 FGBDMM CCOc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OC ZINC000055631835 494376486 /nfs/dbraw/zinc/37/64/86/494376486.db2.gz CPOAJDDRNRKZCR-UHFFFAOYSA-N -1 1 366.395 3.111 20 5 FGBDMM Cc1c(C(=O)Nc2cc(Cl)ccc2[O-])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000067145603 494483860 /nfs/dbraw/zinc/48/38/60/494483860.db2.gz UAGRTLZWQHYGET-UHFFFAOYSA-N -1 1 373.756 3.095 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1C ZINC000024577603 494642986 /nfs/dbraw/zinc/64/29/86/494642986.db2.gz FZHMQWHKLHRGHW-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000126156454 494656224 /nfs/dbraw/zinc/65/62/24/494656224.db2.gz RJIYIHCWVVYTJV-UHFFFAOYSA-N -1 1 358.807 3.204 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000101575729 495080387 /nfs/dbraw/zinc/08/03/87/495080387.db2.gz DSZUHAIGNSSTQR-UHFFFAOYSA-N -1 1 365.798 3.208 20 5 FGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000134406532 495144598 /nfs/dbraw/zinc/14/45/98/495144598.db2.gz BJMITVJXAPPRCI-UHFFFAOYSA-N -1 1 358.741 3.392 20 5 FGBDMM CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)on1 ZINC000173494446 495557450 /nfs/dbraw/zinc/55/74/50/495557450.db2.gz UTFPUZYJSCRHSC-UHFFFAOYSA-N -1 1 367.427 3.273 20 5 FGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[nH]n1 ZINC000159887757 495832344 /nfs/dbraw/zinc/83/23/44/495832344.db2.gz CZSOGZVHYOYTQN-LLVKDONJSA-N -1 1 352.416 3.331 20 5 FGBDMM Cc1ccccc1S(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000153195901 496380714 /nfs/dbraw/zinc/38/07/14/496380714.db2.gz AKHWFNUNAGDUGJ-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188190895 496711992 /nfs/dbraw/zinc/71/19/92/496711992.db2.gz DPKVOUMFLMCMGR-SECBINFHSA-N -1 1 358.379 3.138 20 5 FGBDMM COCCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000191886857 496920876 /nfs/dbraw/zinc/92/08/76/496920876.db2.gz CUWGIOUXTQAAFP-UHFFFAOYSA-N -1 1 364.423 3.201 20 5 FGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(OC(F)(F)F)c1 ZINC000193684473 497446494 /nfs/dbraw/zinc/44/64/94/497446494.db2.gz ZKINEWYWWUJJSJ-MRVPVSSYSA-N -1 1 371.271 3.085 20 5 FGBDMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263372915 497770803 /nfs/dbraw/zinc/77/08/03/497770803.db2.gz VYJCMVSCVMKHNP-DGCLKSJQSA-N -1 1 361.423 3.403 20 5 FGBDMM C[C@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000301137764 497967460 /nfs/dbraw/zinc/96/74/60/497967460.db2.gz DEBZOUWOANDWFI-ZDUSSCGKSA-N -1 1 361.423 3.242 20 5 FGBDMM COc1ccccc1[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-])N(C)C ZINC000578774993 506018335 /nfs/dbraw/zinc/01/83/35/506018335.db2.gz ZLDZTAMECHEWSE-QGZVFWFLSA-N -1 1 373.409 3.325 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000326518125 498843890 /nfs/dbraw/zinc/84/38/90/498843890.db2.gz LOVCOAQICVTHPE-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000295161529 498929839 /nfs/dbraw/zinc/92/98/39/498929839.db2.gz GXNFXKPXHFBWMJ-MRXNPFEDSA-N -1 1 364.423 3.341 20 5 FGBDMM O=C(N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000412622053 499869920 /nfs/dbraw/zinc/86/99/20/499869920.db2.gz ZJGHVCFOICLDDO-SMDDNHRTSA-N -1 1 361.785 3.415 20 5 FGBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(F)(F)F ZINC000416603703 500071204 /nfs/dbraw/zinc/07/12/04/500071204.db2.gz KVUVXGHQGKWPAY-SSDOTTSWSA-N -1 1 360.741 3.115 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000417618123 500126922 /nfs/dbraw/zinc/12/69/22/500126922.db2.gz CPMBPCKESLEDSU-DLBZAZTESA-N -1 1 356.378 3.396 20 5 FGBDMM O=[N+]([O-])c1ccc(CCS(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cc1 ZINC000431636267 500401627 /nfs/dbraw/zinc/40/16/27/500401627.db2.gz OPHZXRPYMVQKKO-OAHLLOKOSA-N -1 1 370.377 3.063 20 5 FGBDMM COc1cc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000442734535 500617160 /nfs/dbraw/zinc/61/71/60/500617160.db2.gz DORBBHOFJBNDAI-VIFPVBQESA-N -1 1 350.758 3.453 20 5 FGBDMM CC(C)(C)c1ccc2c(c1)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000445155294 500949890 /nfs/dbraw/zinc/94/98/90/500949890.db2.gz CCDCUWOXRQJKQV-UHFFFAOYSA-N -1 1 355.394 3.191 20 5 FGBDMM CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O1 ZINC000442221635 501208929 /nfs/dbraw/zinc/20/89/29/501208929.db2.gz LQGYMQSRGWXWLR-MRXNPFEDSA-N -1 1 364.379 3.293 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3c(F)cccc32)s1 ZINC000451593193 501332325 /nfs/dbraw/zinc/33/23/25/501332325.db2.gz SBUCWQQDRJTBGV-LBPRGKRZSA-N -1 1 356.400 3.151 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](c3ccccc3F)C2)s1 ZINC000481578223 501821048 /nfs/dbraw/zinc/82/10/48/501821048.db2.gz MITFUHQUNCOISN-MNOVXSKESA-N -1 1 370.427 3.410 20 5 FGBDMM COc1c(C)cc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1C ZINC000475797430 502294262 /nfs/dbraw/zinc/29/42/62/502294262.db2.gz VURMDLVMXDBLDR-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM COc1ccc(-c2nc(Cc3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)co2)cc1 ZINC000505102230 502851325 /nfs/dbraw/zinc/85/13/25/502851325.db2.gz IQPGYPJJHFOTOC-UHFFFAOYSA-N -1 1 367.321 3.227 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2c2ccccc2)s1 ZINC000510986252 503230657 /nfs/dbraw/zinc/23/06/57/503230657.db2.gz UUICSDTXZXDNQN-QWHCGFSZSA-N -1 1 352.437 3.271 20 5 FGBDMM O=C([N-]c1nc2ccc(Cl)cn2n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000508315317 503473558 /nfs/dbraw/zinc/47/35/58/503473558.db2.gz HZMNVDRLMIPZBY-UHFFFAOYSA-N -1 1 357.713 3.289 20 5 FGBDMM COc1cc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)cc(Cl)c1[O-] ZINC000527195995 503714647 /nfs/dbraw/zinc/71/46/47/503714647.db2.gz FTEIRYBHXKJUJV-UHFFFAOYSA-N -1 1 362.769 3.161 20 5 FGBDMM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000536906578 503757821 /nfs/dbraw/zinc/75/78/21/503757821.db2.gz UCIQKUXSWHVCKE-JTQLQIEISA-N -1 1 369.830 3.245 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)c1 ZINC000543662859 503845079 /nfs/dbraw/zinc/84/50/79/503845079.db2.gz QDZLHAGPXWHPGC-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000546885348 503915566 /nfs/dbraw/zinc/91/55/66/503915566.db2.gz VJOHXJIKKNZHHG-QMMMGPOBSA-N -1 1 360.741 3.258 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000533918099 503989601 /nfs/dbraw/zinc/98/96/01/503989601.db2.gz PLAGPLXOGMWTLZ-HNNXBMFYSA-N -1 1 367.814 3.073 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cnc(Oc4ccccc4)cn3)no2)[n-]1 ZINC000547221449 504025496 /nfs/dbraw/zinc/02/54/96/504025496.db2.gz JAIFTTUPGBRYMF-UHFFFAOYSA-N -1 1 350.294 3.222 20 5 FGBDMM CC(C)(C)OCCOc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)n1 ZINC000547231730 504027685 /nfs/dbraw/zinc/02/76/85/504027685.db2.gz KAEHJJDMQZBBPT-UHFFFAOYSA-N -1 1 373.369 3.229 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000519174436 504157642 /nfs/dbraw/zinc/15/76/42/504157642.db2.gz PBUTYSYSNONMNC-UHFFFAOYSA-N -1 1 350.396 3.104 20 5 FGBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1-c1ccccc1 ZINC000534681316 504213863 /nfs/dbraw/zinc/21/38/63/504213863.db2.gz SYDQNFYYGYNGEY-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM O=C(Nc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1)c1ccco1 ZINC000545031824 504336279 /nfs/dbraw/zinc/33/62/79/504336279.db2.gz GNKWLOIKDDTTKZ-UHFFFAOYSA-N -1 1 365.305 3.485 20 5 FGBDMM COc1ccc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)cc1[N+](=O)[O-] ZINC000538856228 504395222 /nfs/dbraw/zinc/39/52/22/504395222.db2.gz YDKXXFYTQQQDKF-UHFFFAOYSA-N -1 1 368.267 3.476 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(F)cc1F ZINC000521156823 504663931 /nfs/dbraw/zinc/66/39/31/504663931.db2.gz BOTCQNMZAPGUFD-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1CN(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000521257541 504695760 /nfs/dbraw/zinc/69/57/60/504695760.db2.gz LUXPDEMMIITHJR-AWEZNQCLSA-N -1 1 358.394 3.326 20 5 FGBDMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000536459296 504739634 /nfs/dbraw/zinc/73/96/34/504739634.db2.gz NAPFEIJXGJUDQI-UHFFFAOYSA-N -1 1 350.396 3.493 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c2cccnc12 ZINC000536459361 504740032 /nfs/dbraw/zinc/74/00/32/504740032.db2.gz MFPPRPUFZBQFJR-UHFFFAOYSA-N -1 1 373.390 3.261 20 5 FGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCc2sc(Cl)cc21 ZINC000565692918 504959597 /nfs/dbraw/zinc/95/95/97/504959597.db2.gz OYJMUTSURZTNEN-VIFPVBQESA-N -1 1 373.843 3.061 20 5 FGBDMM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000567645043 505523792 /nfs/dbraw/zinc/52/37/92/505523792.db2.gz ZYGWXXGJWCDSST-RFAUZJTJSA-N -1 1 368.798 3.049 20 5 FGBDMM COc1cc(CN2CCCC[C@H]2CC(=O)[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000593290490 506515827 /nfs/dbraw/zinc/51/58/27/506515827.db2.gz JVOLTHVNUZRSLP-NSHDSACASA-N -1 1 374.340 3.034 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1Cc1ccccc1F ZINC000593827398 506793621 /nfs/dbraw/zinc/79/36/21/506793621.db2.gz FIOURJDGJNXBHF-CQSZACIVSA-N -1 1 359.357 3.072 20 5 FGBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000609441457 506881681 /nfs/dbraw/zinc/88/16/81/506881681.db2.gz CXWUXHJJMRDURU-UHFFFAOYSA-N -1 1 372.352 3.175 20 5 FGBDMM CC(C)c1ccc(CCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610264318 507167173 /nfs/dbraw/zinc/16/71/73/507167173.db2.gz LRHCMMSPGUDLDO-UHFFFAOYSA-N -1 1 363.439 3.024 20 5 FGBDMM CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000594724470 507255036 /nfs/dbraw/zinc/25/50/36/507255036.db2.gz WELDVLURCTYTAY-HNNXBMFYSA-N -1 1 356.444 3.159 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[nH]nc1C(C)C ZINC000592384949 507630507 /nfs/dbraw/zinc/63/05/07/507630507.db2.gz AJJJGPPPOJSRHE-UHFFFAOYSA-N -1 1 352.416 3.167 20 5 FGBDMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738227880 600186893 /nfs/dbraw/zinc/18/68/93/600186893.db2.gz HUYHTRLOCYMXHW-UHFFFAOYSA-N -1 1 366.333 3.244 20 5 FGBDMM C[C@H](C(=O)[O-])[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000826051158 601650195 /nfs/dbraw/zinc/65/01/95/601650195.db2.gz BDBLELYOFOJWIL-SJCJKPOMSA-N -1 1 372.377 3.013 20 5 FGBDMM C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CCC(=O)[O-])CC1 ZINC000827966781 601844630 /nfs/dbraw/zinc/84/46/30/601844630.db2.gz UZZXYWIEDQQCBY-LBPRGKRZSA-N -1 1 374.397 3.283 20 5 FGBDMM Cc1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1[N+](=O)[O-] ZINC000822228999 606427807 /nfs/dbraw/zinc/42/78/07/606427807.db2.gz KJJSLNBNWPAQCO-SECBINFHSA-N -1 1 359.777 3.305 20 5 FGBDMM Cc1ccc([C@@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC000822228999 606427809 /nfs/dbraw/zinc/42/78/09/606427809.db2.gz KJJSLNBNWPAQCO-SECBINFHSA-N -1 1 359.777 3.305 20 5 FGBDMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000048801730 695889653 /nfs/dbraw/zinc/88/96/53/695889653.db2.gz HYGQHAUWJAFLOR-IUCAKERBSA-N -1 1 365.249 3.070 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000119364713 700626899 /nfs/dbraw/zinc/62/68/99/700626899.db2.gz HQUVGPHDYCXPSW-VIFPVBQESA-N -1 1 352.393 3.442 20 5 FGBDMM CCCOCc1ccccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119606703 700634096 /nfs/dbraw/zinc/63/40/96/700634096.db2.gz NGTOJFQKHKFQPQ-UHFFFAOYSA-N -1 1 370.452 3.061 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1[N+](=O)[O-] ZINC000132272954 700825865 /nfs/dbraw/zinc/82/58/65/700825865.db2.gz WCYSHAAYAOQUAD-UHFFFAOYSA-N -1 1 369.330 3.060 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)cc1 ZINC000134060717 704811475 /nfs/dbraw/zinc/81/14/75/704811475.db2.gz XHPFZYJOBSLCEX-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccncc1 ZINC000173223847 705449852 /nfs/dbraw/zinc/44/98/52/705449852.db2.gz VANODZMTWARYJO-GFCCVEGCSA-N -1 1 355.803 3.073 20 5 FGBDMM CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175702226 705556262 /nfs/dbraw/zinc/55/62/62/705556262.db2.gz FSNSYSTZQNDTJU-NWDGAFQWSA-N -1 1 362.448 3.077 20 5 FGBDMM Cc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1O ZINC000617203439 714636267 /nfs/dbraw/zinc/63/62/67/714636267.db2.gz YUJAYYRQDMSVTM-UHFFFAOYSA-N -1 1 350.396 3.335 20 5 FGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc(-c2cccs2)no1 ZINC000780070409 724444771 /nfs/dbraw/zinc/44/47/71/724444771.db2.gz XGLGMRCOQPCJHQ-QMMMGPOBSA-N -1 1 361.335 3.330 20 5 FGBDMM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000780502366 724472846 /nfs/dbraw/zinc/47/28/46/724472846.db2.gz UATNBBSDWWUWNN-QMMMGPOBSA-N -1 1 360.757 3.321 20 5 FGBDMM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000727836512 722447947 /nfs/dbraw/zinc/44/79/47/722447947.db2.gz GFTWCGWWYKPXJL-ZDUSSCGKSA-N -1 1 352.387 3.034 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000728298529 722451008 /nfs/dbraw/zinc/45/10/08/722451008.db2.gz VZENXNAMFRLKRG-UHFFFAOYSA-N -1 1 366.826 3.473 20 5 FGBDMM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000732816731 722489074 /nfs/dbraw/zinc/48/90/74/722489074.db2.gz DUYKAUPFFIFCOD-INIZCTEOSA-N -1 1 364.398 3.472 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1 ZINC000742308289 722554939 /nfs/dbraw/zinc/55/49/39/722554939.db2.gz FLUWWMRQIISNBX-OCCSQVGLSA-N -1 1 366.826 3.158 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC000749697666 722737597 /nfs/dbraw/zinc/73/75/97/722737597.db2.gz SYDBQHLAWKEQSG-UHFFFAOYSA-N -1 1 372.805 3.298 20 5 FGBDMM CCOc1cc(COC(=O)c2c([O-])cc(F)cc2F)ccc1[N+](=O)[O-] ZINC000755532293 722954205 /nfs/dbraw/zinc/95/42/05/722954205.db2.gz XCTJHXDAOBIZNH-UHFFFAOYSA-N -1 1 353.277 3.334 20 5 FGBDMM C[C@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000762543873 723253540 /nfs/dbraw/zinc/25/35/40/723253540.db2.gz WQNMPDLFNYERRL-ZBEGNZNMSA-N -1 1 364.398 3.336 20 5 FGBDMM COc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1F ZINC000769890098 723699169 /nfs/dbraw/zinc/69/91/69/723699169.db2.gz MHDVBUKPKKUURS-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2F)cc1Cl ZINC000798224444 723915478 /nfs/dbraw/zinc/91/54/78/723915478.db2.gz ITRCFWZHTIUIDT-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM Cc1nc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000776864307 724190504 /nfs/dbraw/zinc/19/05/04/724190504.db2.gz IGELLGSIMYNZAD-UHFFFAOYSA-N -1 1 368.802 3.091 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)Cc2c(F)cccc2F)c1 ZINC000800930615 724250033 /nfs/dbraw/zinc/25/00/33/724250033.db2.gz PBCOSZXKLIXGEG-UHFFFAOYSA-N -1 1 362.741 3.468 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000786133580 724961962 /nfs/dbraw/zinc/96/19/62/724961962.db2.gz BZHXKUFFPQUFGC-UHFFFAOYSA-N -1 1 365.798 3.208 20 5 FGBDMM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822397 725271193 /nfs/dbraw/zinc/27/11/93/725271193.db2.gz JTGVEIFBCJYMCR-MRVPVSSYSA-N -1 1 370.855 3.197 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1cccc(F)c1 ZINC000814986747 727017733 /nfs/dbraw/zinc/01/77/33/727017733.db2.gz SRTYECPKOSBGJU-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000815074928 727032240 /nfs/dbraw/zinc/03/22/40/727032240.db2.gz IXUIFRLCWWIONN-JSGCOSHPSA-N -1 1 366.826 3.330 20 5 FGBDMM Cc1ccc([C@@H](C)OC(=O)c2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000822231040 729155505 /nfs/dbraw/zinc/15/55/05/729155505.db2.gz YFZMLEWMDNBWEL-SECBINFHSA-N -1 1 359.367 3.063 20 5 FGBDMM Cc1ccc([C@@H](C)OC(=O)c2ccc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000822231040 729155508 /nfs/dbraw/zinc/15/55/08/729155508.db2.gz YFZMLEWMDNBWEL-SECBINFHSA-N -1 1 359.367 3.063 20 5 FGBDMM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ccc([O-])c(Cl)c1 ZINC000872727168 735667680 /nfs/dbraw/zinc/66/76/80/735667680.db2.gz ZEKJONLGWPIDNE-UHFFFAOYSA-N -1 1 350.684 3.318 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@H](Cc3nccs3)C2)c1 ZINC000903630531 743865486 /nfs/dbraw/zinc/86/54/86/743865486.db2.gz DRSNRFGVQAPKDR-GFCCVEGCSA-N -1 1 361.423 3.204 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NC)c(C)c1 ZINC000577062904 505655833 /nfs/dbraw/zinc/65/58/33/505655833.db2.gz SYNGBMRZWGNTNP-UHFFFAOYSA-N -1 1 365.411 3.144 20 5 FGBDMM Cc1ccccc1CN1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000580196852 505701377 /nfs/dbraw/zinc/70/13/77/505701377.db2.gz GJSAGNKGPGGBDC-UHFFFAOYSA-N -1 1 369.421 3.232 20 5 FGBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000054152050 494200816 /nfs/dbraw/zinc/20/08/16/494200816.db2.gz VPVPQWJPUJISJP-UHFFFAOYSA-N -1 1 372.352 3.175 20 5 FGBDMM CSc1ccc([N+](=O)[O-])c(C(=O)NCc2n[n-]c(=S)n2C(C)C)c1 ZINC000066639474 494373795 /nfs/dbraw/zinc/37/37/95/494373795.db2.gz KSWBFDNDFOKIPV-UHFFFAOYSA-N -1 1 367.456 3.082 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000018895726 494433757 /nfs/dbraw/zinc/43/37/57/494433757.db2.gz TYVFKOGESNTDAW-UHFFFAOYSA-N -1 1 366.395 3.111 20 5 FGBDMM CC(C)n1c(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[n-]c1=S ZINC000067072350 494470250 /nfs/dbraw/zinc/47/02/50/494470250.db2.gz YUMACVHPVZBFJQ-UHFFFAOYSA-N -1 1 355.807 3.013 20 5 FGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2nc(C(F)F)[nH]c2c1 ZINC000135513232 495303951 /nfs/dbraw/zinc/30/39/51/495303951.db2.gz PAFYIVVLJKLIKT-UHFFFAOYSA-N -1 1 368.321 3.210 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000151664123 495911198 /nfs/dbraw/zinc/91/11/98/495911198.db2.gz HDHKBGVSDPOQHD-UHFFFAOYSA-N -1 1 370.789 3.355 20 5 FGBDMM O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184215083 496289956 /nfs/dbraw/zinc/28/99/56/496289956.db2.gz XMESCXFVXSWUMV-INIZCTEOSA-N -1 1 368.349 3.281 20 5 FGBDMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc([N+](=O)[O-])c3[O-])[nH]c2c1 ZINC000178212624 496372267 /nfs/dbraw/zinc/37/22/67/496372267.db2.gz MEZYTSRHVJRUAG-MRXNPFEDSA-N -1 1 366.377 3.462 20 5 FGBDMM CC(C)c1nnc(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[nH]1 ZINC000184686969 496493580 /nfs/dbraw/zinc/49/35/80/496493580.db2.gz TXQANVLFFPRZOW-UHFFFAOYSA-N -1 1 367.365 3.461 20 5 FGBDMM O=c1cc(C2CC2)nc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)[n-]1 ZINC000188128438 496695114 /nfs/dbraw/zinc/69/51/14/496695114.db2.gz IITXHSLNKZIANY-UHFFFAOYSA-N -1 1 371.378 3.310 20 5 FGBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)c2ncc(-c3ccc(F)cc3)[n-]2)c1 ZINC000571985356 505862628 /nfs/dbraw/zinc/86/26/28/505862628.db2.gz COKQYDRRPZFZQA-UHFFFAOYSA-N -1 1 361.354 3.098 20 5 FGBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)c2nc(-c3ccc(F)cc3)c[n-]2)c1 ZINC000571985356 505862629 /nfs/dbraw/zinc/86/26/29/505862629.db2.gz COKQYDRRPZFZQA-UHFFFAOYSA-N -1 1 361.354 3.098 20 5 FGBDMM COCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000191787486 496889716 /nfs/dbraw/zinc/88/97/16/496889716.db2.gz SRKHVORQHFEQHO-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)c1ccc([N+](=O)[O-])[n-]1)CC2 ZINC000274889701 497191978 /nfs/dbraw/zinc/19/19/78/497191978.db2.gz RDJYNXDVHVLRGM-UHFFFAOYSA-N -1 1 372.381 3.473 20 5 FGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000330818457 498199646 /nfs/dbraw/zinc/19/96/46/498199646.db2.gz NQQDSEDJPYKBDY-WDEREUQCSA-N -1 1 366.361 3.242 20 5 FGBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3scnc3c2)s1 ZINC000302708199 498541154 /nfs/dbraw/zinc/54/11/54/498541154.db2.gz HJRTYJHRULEURM-UHFFFAOYSA-N -1 1 355.422 3.413 20 5 FGBDMM CCOc1cc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)cc(Cl)c1[O-] ZINC000291026540 498762993 /nfs/dbraw/zinc/76/29/93/498762993.db2.gz DLZLMFGCUSZHHV-UHFFFAOYSA-N -1 1 355.778 3.482 20 5 FGBDMM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1 ZINC000443557338 500738120 /nfs/dbraw/zinc/73/81/20/500738120.db2.gz HUPFFCMAPSCIJF-UHFFFAOYSA-N -1 1 372.255 3.460 20 5 FGBDMM Cc1c(CC(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cccc1[N+](=O)[O-] ZINC000440116269 500976591 /nfs/dbraw/zinc/97/65/91/500976591.db2.gz DBDHEBOQAAIRPA-UHFFFAOYSA-N -1 1 352.350 3.180 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000440293626 500994612 /nfs/dbraw/zinc/99/46/12/500994612.db2.gz SLGZGUYUZACQEA-UHFFFAOYSA-N -1 1 362.407 3.418 20 5 FGBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000436514921 501144849 /nfs/dbraw/zinc/14/48/49/501144849.db2.gz QYCXZUQCNPWZAG-UHFFFAOYSA-N -1 1 356.290 3.086 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@@H]2CCOC2)cc1 ZINC000451058082 501242619 /nfs/dbraw/zinc/24/26/19/501242619.db2.gz FPQZZLLYOJSKQK-CQSZACIVSA-N -1 1 362.407 3.208 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(CC1)OCCc1ccccc12 ZINC000453583420 501354113 /nfs/dbraw/zinc/35/41/13/501354113.db2.gz YAYRQMALKGBBMP-UHFFFAOYSA-N -1 1 354.406 3.364 20 5 FGBDMM CC(C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000452853635 501574695 /nfs/dbraw/zinc/57/46/95/501574695.db2.gz UQIAYCDMUQMMGR-UHFFFAOYSA-N -1 1 369.299 3.379 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccccc3F)C2)s1 ZINC000481578222 501821154 /nfs/dbraw/zinc/82/11/54/501821154.db2.gz MITFUHQUNCOISN-GHMZBOCLSA-N -1 1 370.427 3.410 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000474410113 501826447 /nfs/dbraw/zinc/82/64/47/501826447.db2.gz HDWKREQPYGDEJL-UHFFFAOYSA-N -1 1 364.427 3.475 20 5 FGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000474430520 501833040 /nfs/dbraw/zinc/83/30/40/501833040.db2.gz IQFSMRIKZTUCGK-UHFFFAOYSA-N -1 1 350.400 3.166 20 5 FGBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000485879791 501973009 /nfs/dbraw/zinc/97/30/09/501973009.db2.gz BRIVGSJBQSODEO-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000592901180 506300463 /nfs/dbraw/zinc/30/04/63/506300463.db2.gz KBFMEJWYMZTYMK-INIZCTEOSA-N -1 1 351.362 3.229 20 5 FGBDMM O=C(Nc1cccc(CN2CCSCC2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469636831 502487379 /nfs/dbraw/zinc/48/73/79/502487379.db2.gz DCAZEBCMDHYKGU-UHFFFAOYSA-N -1 1 373.434 3.102 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000462699833 502539204 /nfs/dbraw/zinc/53/92/04/502539204.db2.gz LMCXIJVCNGIVLK-SDDRHHMPSA-N -1 1 358.847 3.495 20 5 FGBDMM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000462719195 502548103 /nfs/dbraw/zinc/54/81/03/502548103.db2.gz FDONSZDGCBKLAA-JTQLQIEISA-N -1 1 372.830 3.449 20 5 FGBDMM O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000473653120 502668789 /nfs/dbraw/zinc/66/87/89/502668789.db2.gz FGRXHQIVCGXZHE-UHFFFAOYSA-N -1 1 362.267 3.076 20 5 FGBDMM CCCOC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000484775940 502738295 /nfs/dbraw/zinc/73/82/95/502738295.db2.gz KWNNMEBIDOBDFV-UHFFFAOYSA-N -1 1 362.473 3.064 20 5 FGBDMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000470440476 502775296 /nfs/dbraw/zinc/77/52/96/502775296.db2.gz HXJQQDJMSFLEOE-VIFPVBQESA-N -1 1 360.395 3.087 20 5 FGBDMM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1C ZINC000500917859 502892254 /nfs/dbraw/zinc/89/22/54/502892254.db2.gz SYOVKVUSIJFFID-UHFFFAOYSA-N -1 1 354.366 3.032 20 5 FGBDMM CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000588821071 506346326 /nfs/dbraw/zinc/34/63/26/506346326.db2.gz ZWFOMUHOEGZALQ-GFCCVEGCSA-N -1 1 374.397 3.001 20 5 FGBDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000507023122 503215139 /nfs/dbraw/zinc/21/51/39/503215139.db2.gz TXFXYGKIIQPODR-UHFFFAOYSA-N -1 1 366.395 3.193 20 5 FGBDMM COc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000508215022 503455424 /nfs/dbraw/zinc/45/54/24/503455424.db2.gz HFTGWHCOTDJNFW-UHFFFAOYSA-N -1 1 372.786 3.072 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000516341676 503497499 /nfs/dbraw/zinc/49/74/99/503497499.db2.gz REXGDIZYXOQUOX-UHFFFAOYSA-N -1 1 366.782 3.473 20 5 FGBDMM COc1cc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000516888906 503609771 /nfs/dbraw/zinc/60/97/71/503609771.db2.gz LYSRJFZNZWMPEO-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCc2ccccc2C1 ZINC000518660509 504037891 /nfs/dbraw/zinc/03/78/91/504037891.db2.gz RZYVQRZMJNFDDK-CYBMUJFWSA-N -1 1 366.826 3.084 20 5 FGBDMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])[nH]n2)c1 ZINC000530780847 504085394 /nfs/dbraw/zinc/08/53/94/504085394.db2.gz GAOSPGIHOUQNLS-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1 ZINC000544622953 504195229 /nfs/dbraw/zinc/19/52/29/504195229.db2.gz BXIDLXAESFUYTB-UHFFFAOYSA-N -1 1 364.427 3.393 20 5 FGBDMM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 ZINC000519491813 504233323 /nfs/dbraw/zinc/23/33/23/504233323.db2.gz NICZDIYTGFEVTM-GFCCVEGCSA-N -1 1 354.453 3.183 20 5 FGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1NC(=O)c1ccncc1 ZINC000520064773 504406266 /nfs/dbraw/zinc/40/62/66/504406266.db2.gz DRQXIQIOPNQBMC-UHFFFAOYSA-N -1 1 365.349 3.131 20 5 FGBDMM COc1ccc([N-]C(=O)c2ncsc2Br)c([N+](=O)[O-])c1 ZINC000520450223 504502385 /nfs/dbraw/zinc/50/23/85/504502385.db2.gz HBUFCBWWODVMIT-UHFFFAOYSA-N -1 1 358.173 3.075 20 5 FGBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ccc(C)cc3C)c2)n1 ZINC000553535874 504942820 /nfs/dbraw/zinc/94/28/20/504942820.db2.gz VUBZNZMGCOILKE-UHFFFAOYSA-N -1 1 367.365 3.323 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)c1 ZINC000558960473 505539308 /nfs/dbraw/zinc/53/93/08/505539308.db2.gz ULBBAGRIIGIOJB-UHFFFAOYSA-N -1 1 372.406 3.428 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000552733249 505545243 /nfs/dbraw/zinc/54/52/43/505545243.db2.gz KBOIAMMNCNEEDH-DGCLKSJQSA-N -1 1 370.789 3.222 20 5 FGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC000600673641 507058620 /nfs/dbraw/zinc/05/86/20/507058620.db2.gz GTKSENQCCUDUJN-YESZJQIVSA-N -1 1 362.426 3.457 20 5 FGBDMM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000595383422 507478220 /nfs/dbraw/zinc/47/82/20/507478220.db2.gz NIABJXFDUFXRET-UHFFFAOYSA-N -1 1 373.381 3.103 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cc1F ZINC000598712755 507563548 /nfs/dbraw/zinc/56/35/48/507563548.db2.gz JISLDQQQMLRSFQ-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM C[C@H]1CC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2ccccc21 ZINC000824916521 607738893 /nfs/dbraw/zinc/73/88/93/607738893.db2.gz KIBGNBOVMZULMA-HZMBPMFUSA-N -1 1 351.370 3.220 20 5 FGBDMM C[C@H]1CC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c2ccccc21 ZINC000824916521 607738894 /nfs/dbraw/zinc/73/88/94/607738894.db2.gz KIBGNBOVMZULMA-HZMBPMFUSA-N -1 1 351.370 3.220 20 5 FGBDMM CC1(CNc2cc(NCC3(C)CC3)c([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000820623045 606423332 /nfs/dbraw/zinc/42/33/32/606423332.db2.gz CLSHUTLJXFYWJG-UHFFFAOYSA-N -1 1 357.418 3.199 20 5 FGBDMM CC1(CNc2cc(NCC3(C)CC3)c([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000820623045 606423333 /nfs/dbraw/zinc/42/33/33/606423333.db2.gz CLSHUTLJXFYWJG-UHFFFAOYSA-N -1 1 357.418 3.199 20 5 FGBDMM CC[C@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc([N+](=O)[O-])c1 ZINC000820925297 606479039 /nfs/dbraw/zinc/47/90/39/606479039.db2.gz GJHNUXKALADKLN-LBPRGKRZSA-N -1 1 359.777 3.387 20 5 FGBDMM CC[C@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC000820925297 606479042 /nfs/dbraw/zinc/47/90/42/606479042.db2.gz GJHNUXKALADKLN-LBPRGKRZSA-N -1 1 359.777 3.387 20 5 FGBDMM CCC(CC)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000820887827 606713705 /nfs/dbraw/zinc/71/37/05/606713705.db2.gz SXDAUEXUFPSYAJ-UHFFFAOYSA-N -1 1 367.413 3.340 20 5 FGBDMM CCC(CC)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000820887827 606713707 /nfs/dbraw/zinc/71/37/07/606713707.db2.gz SXDAUEXUFPSYAJ-UHFFFAOYSA-N -1 1 367.413 3.340 20 5 FGBDMM O=[N+]([O-])c1ccc(CSc2snc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826497976 608193291 /nfs/dbraw/zinc/19/32/91/608193291.db2.gz BHOMTIOBHLESIU-UHFFFAOYSA-N -1 1 354.804 3.177 20 5 FGBDMM O=[N+]([O-])c1ccc(CSc2snc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826497976 608193292 /nfs/dbraw/zinc/19/32/92/608193292.db2.gz BHOMTIOBHLESIU-UHFFFAOYSA-N -1 1 354.804 3.177 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000826324395 609419368 /nfs/dbraw/zinc/41/93/68/609419368.db2.gz PEJQKUVSGLPZEC-JTQLQIEISA-N -1 1 371.426 3.343 20 5 FGBDMM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000115583712 700586702 /nfs/dbraw/zinc/58/67/02/700586702.db2.gz HUATVVILHMKGAV-CQSZACIVSA-N -1 1 367.402 3.113 20 5 FGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000129580076 700789705 /nfs/dbraw/zinc/78/97/05/700789705.db2.gz NNQSULSSXNDFIW-UHFFFAOYSA-N -1 1 358.741 3.392 20 5 FGBDMM CCCCCc1nnc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])s1 ZINC000193823435 713500761 /nfs/dbraw/zinc/50/07/61/713500761.db2.gz DGNCMGZVYHPQDK-UHFFFAOYSA-N -1 1 350.400 3.440 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000194343358 713519228 /nfs/dbraw/zinc/51/92/28/713519228.db2.gz FKZDBMCUUJYDKQ-SSDOTTSWSA-N -1 1 364.807 3.488 20 5 FGBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000619466424 714839678 /nfs/dbraw/zinc/83/96/78/714839678.db2.gz GXSPDECLGFWBCA-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM CS(=O)(=O)c1cccc(Cl)c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000779471273 724415393 /nfs/dbraw/zinc/41/53/93/724415393.db2.gz DBGKJUHLWGMNAZ-UHFFFAOYSA-N -1 1 372.761 3.043 20 5 FGBDMM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075759 724445621 /nfs/dbraw/zinc/44/56/21/724445621.db2.gz MBXFEVAVMFLOTJ-UHFFFAOYSA-N -1 1 352.686 3.219 20 5 FGBDMM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742311264 722555003 /nfs/dbraw/zinc/55/50/03/722555003.db2.gz ALTQXAXPDPDHLK-JKSUJKDBSA-N -1 1 366.826 3.257 20 5 FGBDMM O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Br)c([O-])c1 ZINC000750551331 722772180 /nfs/dbraw/zinc/77/21/80/722772180.db2.gz MRHBHVZCTCZNJW-UHFFFAOYSA-N -1 1 352.140 3.420 20 5 FGBDMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2[nH]1 ZINC000759146525 723000358 /nfs/dbraw/zinc/00/03/58/723000358.db2.gz GVVISFQYYPOUKT-UHFFFAOYSA-N -1 1 366.786 3.234 20 5 FGBDMM Cc1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2[nH]1 ZINC000759147473 723000439 /nfs/dbraw/zinc/00/04/39/723000439.db2.gz LXMNITMYYUFYOF-UHFFFAOYSA-N -1 1 366.786 3.234 20 5 FGBDMM CC(C)COc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768810704 723667964 /nfs/dbraw/zinc/66/79/64/723667964.db2.gz LTDRSFFJDKPQKK-UHFFFAOYSA-N -1 1 370.452 3.170 20 5 FGBDMM C[C@H]1CCc2c(F)cccc2[C@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768852591 723669611 /nfs/dbraw/zinc/66/96/11/723669611.db2.gz HWTGLSWIBGHCNL-VFZGTOFNSA-N -1 1 370.427 3.397 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)ccc1[N+](=O)[O-] ZINC000769672974 723691850 /nfs/dbraw/zinc/69/18/50/723691850.db2.gz MUFIMEVDORZXIL-UHFFFAOYSA-N -1 1 361.423 3.086 20 5 FGBDMM Cc1c([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc(Br)cc1[N+](=O)[O-] ZINC000797580492 723837343 /nfs/dbraw/zinc/83/73/43/723837343.db2.gz YNIQYEVPFZCEBV-UHFFFAOYSA-N -1 1 370.115 3.419 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCCc3occc32)cc1Cl ZINC000798225720 723915850 /nfs/dbraw/zinc/91/58/50/723915850.db2.gz IHVITSOHXVMTDA-NSHDSACASA-N -1 1 374.777 3.336 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1CC(c2ccccc2)C1 ZINC000801703867 724326248 /nfs/dbraw/zinc/32/62/48/724326248.db2.gz TUSZQCKOOYHGEA-UHFFFAOYSA-N -1 1 364.398 3.206 20 5 FGBDMM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000788215824 725050473 /nfs/dbraw/zinc/05/04/73/725050473.db2.gz AMHCEBYJDQCKAE-UHFFFAOYSA-N -1 1 372.786 3.066 20 5 FGBDMM CSC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809840823 725272483 /nfs/dbraw/zinc/27/24/83/725272483.db2.gz YIKVFCHDYWTAQZ-UHFFFAOYSA-N -1 1 371.267 3.076 20 5 FGBDMM Cc1cnc([C@H](C)[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)s1 ZINC000848588201 731185817 /nfs/dbraw/zinc/18/58/17/731185817.db2.gz QMOITEVPIOBESN-VIFPVBQESA-N -1 1 357.338 3.209 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C)c(Cl)c1 ZINC000916729728 758122279 /nfs/dbraw/zinc/12/22/79/758122279.db2.gz FCRFPTCBYPCMCJ-UHFFFAOYSA-N -1 1 369.830 3.423 20 5 FGBDMM O=C([O-])C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923255099 759091314 /nfs/dbraw/zinc/09/13/14/759091314.db2.gz BYVCYYVWAKECCV-LLVKDONJSA-N -1 1 357.204 3.187 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 ZINC000007417341 494021077 /nfs/dbraw/zinc/02/10/77/494021077.db2.gz AOOOFIQCGNBZCC-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] ZINC000040414207 494141902 /nfs/dbraw/zinc/14/19/02/494141902.db2.gz GWISPLIZEKUVSG-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(C(F)(F)F)c1 ZINC000015611626 494362698 /nfs/dbraw/zinc/36/26/98/494362698.db2.gz PDYJXJIGBTUHGW-QMMMGPOBSA-N -1 1 355.272 3.205 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000055663430 494385499 /nfs/dbraw/zinc/38/54/99/494385499.db2.gz UIDPGHNDQPJIGQ-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM COc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c([N+](=O)[O-])cc1[O-] ZINC000124932409 495366158 /nfs/dbraw/zinc/36/61/58/495366158.db2.gz XYVIGSKVIHEHSP-UHFFFAOYSA-N -1 1 373.390 3.153 20 5 FGBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000120626138 495420547 /nfs/dbraw/zinc/42/05/47/495420547.db2.gz WDELONBHHRRATE-UHFFFAOYSA-N -1 1 369.181 3.003 20 5 FGBDMM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146534790 495567364 /nfs/dbraw/zinc/56/73/64/495567364.db2.gz YMRUNAGTCHCBDD-JTQLQIEISA-N -1 1 358.803 3.141 20 5 FGBDMM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000171013939 495690101 /nfs/dbraw/zinc/69/01/01/495690101.db2.gz LCQFKYGWGNRNII-GFCCVEGCSA-N -1 1 350.396 3.411 20 5 FGBDMM CC[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[C@@H]1c1ccccc1 ZINC000185783459 495724346 /nfs/dbraw/zinc/72/43/46/495724346.db2.gz NHXNOTZWVXSAQV-CJNGLKHVSA-N -1 1 355.394 3.351 20 5 FGBDMM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000151883165 495980298 /nfs/dbraw/zinc/98/02/98/495980298.db2.gz QTJJBNXGTQQCIZ-UHFFFAOYSA-N -1 1 370.814 3.158 20 5 FGBDMM O=C(NCC(c1ccccc1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186740004 496130404 /nfs/dbraw/zinc/13/04/04/496130404.db2.gz OHHPEOKBZMJCAG-UHFFFAOYSA-N -1 1 363.373 3.257 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000177752528 496182397 /nfs/dbraw/zinc/18/23/97/496182397.db2.gz QFPHHPDXBKHQHF-UHFFFAOYSA-N -1 1 352.416 3.016 20 5 FGBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000165163300 496651378 /nfs/dbraw/zinc/65/13/78/496651378.db2.gz RKUVBMDKUYTUAE-LBPRGKRZSA-N -1 1 362.407 3.336 20 5 FGBDMM O=c1cc(C2CC2)nc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[n-]1 ZINC000195085384 496817637 /nfs/dbraw/zinc/81/76/37/496817637.db2.gz JYJBOSFRCUVRAE-UHFFFAOYSA-N -1 1 371.378 3.310 20 5 FGBDMM Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl ZINC000193057413 497289463 /nfs/dbraw/zinc/28/94/63/497289463.db2.gz PYIBJDBORRQFDN-UHFFFAOYSA-N -1 1 362.194 3.406 20 5 FGBDMM CC(C)OCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000194034356 497553475 /nfs/dbraw/zinc/55/34/75/497553475.db2.gz SFLFNISYMNJXFS-UHFFFAOYSA-N -1 1 350.396 3.321 20 5 FGBDMM C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303437361 498674085 /nfs/dbraw/zinc/67/40/85/498674085.db2.gz DUWXYDMUAHLVGM-VIFPVBQESA-N -1 1 369.299 3.075 20 5 FGBDMM O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000570153306 506103350 /nfs/dbraw/zinc/10/33/50/506103350.db2.gz QOWJKIVPIJVYAQ-OAHLLOKOSA-N -1 1 373.365 3.415 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3ccsc32)ccc1[O-] ZINC000386454652 499549340 /nfs/dbraw/zinc/54/93/40/499549340.db2.gz RHPMBPHLBSBEOC-UHFFFAOYSA-N -1 1 350.377 3.316 20 5 FGBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)cc1[N+](=O)[O-] ZINC000576400122 506149437 /nfs/dbraw/zinc/14/94/37/506149437.db2.gz WLMQIPWYGFNDDV-UHFFFAOYSA-N -1 1 350.396 3.280 20 5 FGBDMM COc1cc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)cc([N+](=O)[O-])c1O ZINC000439266363 500877786 /nfs/dbraw/zinc/87/77/86/500877786.db2.gz AUZZDQOAALPIST-DJWKRKHSSA-N -1 1 356.290 3.319 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(C)c1 ZINC000434967336 500916829 /nfs/dbraw/zinc/91/68/29/500916829.db2.gz ODMQOLLGRKOLBR-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1ccc(F)cc1F ZINC000444984177 500929324 /nfs/dbraw/zinc/92/93/24/500929324.db2.gz JAQLHCMLZFBPFN-CQSZACIVSA-N -1 1 363.320 3.341 20 5 FGBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC000445003039 500931817 /nfs/dbraw/zinc/93/18/17/500931817.db2.gz CKSFSUVGHLTJGS-UHFFFAOYSA-N -1 1 367.764 3.196 20 5 FGBDMM O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445149470 500949280 /nfs/dbraw/zinc/94/92/80/500949280.db2.gz LAOCNNSXKSQLEB-OAHLLOKOSA-N -1 1 357.341 3.200 20 5 FGBDMM C[C@@]1(Cc2ccccc2F)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000592832630 506270870 /nfs/dbraw/zinc/27/08/70/506270870.db2.gz ULUGPNMLRDMJDW-SFHVURJKSA-N -1 1 359.357 3.072 20 5 FGBDMM O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484233922 502603766 /nfs/dbraw/zinc/60/37/66/502603766.db2.gz KCXMPRBDHXPGIV-KRWDZBQOSA-N -1 1 363.373 3.409 20 5 FGBDMM COCc1ccccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C ZINC000463427955 502797360 /nfs/dbraw/zinc/79/73/60/502797360.db2.gz JGSVRUBOWMDPTP-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000497945059 503072074 /nfs/dbraw/zinc/07/20/74/503072074.db2.gz VBVHLCVUQOBPAL-UHFFFAOYSA-N -1 1 362.407 3.493 20 5 FGBDMM CCc1nc2cc(S(=O)(=O)[N-]c3ccc(C)c([N+](=O)[O-])c3)ccc2o1 ZINC000543858310 503918372 /nfs/dbraw/zinc/91/83/72/503918372.db2.gz LNWAFKPRMAJBQC-UHFFFAOYSA-N -1 1 361.379 3.408 20 5 FGBDMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)ccc12 ZINC000544646826 504203462 /nfs/dbraw/zinc/20/34/62/504203462.db2.gz YAMFPVFJYUXXFG-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)ccc12 ZINC000544646826 504203463 /nfs/dbraw/zinc/20/34/63/504203463.db2.gz YAMFPVFJYUXXFG-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000519535045 504244305 /nfs/dbraw/zinc/24/43/05/504244305.db2.gz CLHPGSVOMXYARU-UHFFFAOYSA-N -1 1 365.411 3.063 20 5 FGBDMM Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c1 ZINC000548226159 504371173 /nfs/dbraw/zinc/37/11/73/504371173.db2.gz UDGNXHVUIXWWFC-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1 ZINC000531951068 504484598 /nfs/dbraw/zinc/48/45/98/504484598.db2.gz MHCLWPKRRKIDLP-UHFFFAOYSA-N -1 1 372.406 3.144 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000536459088 504739292 /nfs/dbraw/zinc/73/92/92/504739292.db2.gz JWYGOERIQIXRIY-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000563902923 505271395 /nfs/dbraw/zinc/27/13/95/505271395.db2.gz KINFATVXKVBCMS-UHFFFAOYSA-N -1 1 363.333 3.424 20 5 FGBDMM CC12CC(C1)CN2c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000596574227 506467420 /nfs/dbraw/zinc/46/74/20/506467420.db2.gz GFSNXJXDNKDDNX-UHFFFAOYSA-N -1 1 373.434 3.384 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000589186977 506476210 /nfs/dbraw/zinc/47/62/10/506476210.db2.gz NQQPGFKPTHAHJP-WSTZPKSXSA-N -1 1 354.406 3.305 20 5 FGBDMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000582993376 506527238 /nfs/dbraw/zinc/52/72/38/506527238.db2.gz QIWSCILKGMPUOA-ZETCQYMHSA-N -1 1 370.337 3.147 20 5 FGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000597779304 507098455 /nfs/dbraw/zinc/09/84/55/507098455.db2.gz LBBUUDPEJUKTEF-HZPDHXFCSA-N -1 1 355.394 3.494 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[nH]nc1C(C)C ZINC000592385065 507632538 /nfs/dbraw/zinc/63/25/38/507632538.db2.gz NHXVJBGRNWPHQO-UHFFFAOYSA-N -1 1 352.416 3.167 20 5 FGBDMM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000614857033 507675993 /nfs/dbraw/zinc/67/59/93/507675993.db2.gz WFDCCDXHWPSYRH-UHFFFAOYSA-N -1 1 360.741 3.258 20 5 FGBDMM CCC(CC)c1cc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)on1 ZINC000825114501 607451768 /nfs/dbraw/zinc/45/17/68/607451768.db2.gz NIVLFQVNLSFYCA-UHFFFAOYSA-N -1 1 357.374 3.279 20 5 FGBDMM CCC(CC)c1cc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)on1 ZINC000825114501 607451770 /nfs/dbraw/zinc/45/17/70/607451770.db2.gz NIVLFQVNLSFYCA-UHFFFAOYSA-N -1 1 357.374 3.279 20 5 FGBDMM C[C@@H](C(=O)[O-])[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000826051159 601650114 /nfs/dbraw/zinc/65/01/14/601650114.db2.gz BDBLELYOFOJWIL-SJKOYZFVSA-N -1 1 372.377 3.013 20 5 FGBDMM COc1cc(OC)cc([C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC000832050893 602176336 /nfs/dbraw/zinc/17/63/36/602176336.db2.gz RVXJHFXBNQJELU-SGTLLEGYSA-N -1 1 374.393 3.397 20 5 FGBDMM CCC[C@@H](CCc1ccccc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821021207 606712346 /nfs/dbraw/zinc/71/23/46/606712346.db2.gz LWMYVYJVANNWKS-AWEZNQCLSA-N -1 1 367.413 3.383 20 5 FGBDMM CCC[C@@H](CCc1ccccc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821021207 606712348 /nfs/dbraw/zinc/71/23/48/606712348.db2.gz LWMYVYJVANNWKS-AWEZNQCLSA-N -1 1 367.413 3.383 20 5 FGBDMM Cc1ccc([C@@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826284567 608189257 /nfs/dbraw/zinc/18/92/57/608189257.db2.gz YBRMIFSJLBMARA-SSDOTTSWSA-N -1 1 365.806 3.366 20 5 FGBDMM Cc1ccc([C@@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826284567 608189258 /nfs/dbraw/zinc/18/92/58/608189258.db2.gz YBRMIFSJLBMARA-SSDOTTSWSA-N -1 1 365.806 3.366 20 5 FGBDMM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825961260 608507469 /nfs/dbraw/zinc/50/74/69/608507469.db2.gz DFNMZBYJMFFMFO-UHFFFAOYSA-N -1 1 364.818 3.122 20 5 FGBDMM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000159639136 705230068 /nfs/dbraw/zinc/23/00/68/705230068.db2.gz VYUPUBFANCACNR-VIFPVBQESA-N -1 1 358.416 3.013 20 5 FGBDMM COc1cccc(C(=O)Nc2cc(Br)ccc2[O-])c1[N+](=O)[O-] ZINC000192827059 712874569 /nfs/dbraw/zinc/87/45/69/712874569.db2.gz JSWYLKADWJLUIK-UHFFFAOYSA-N -1 1 367.155 3.324 20 5 FGBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000194347959 713519416 /nfs/dbraw/zinc/51/94/16/713519416.db2.gz IZNRNMXEYMJPDW-UHFFFAOYSA-N -1 1 368.386 3.001 20 5 FGBDMM C[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000577875108 714470344 /nfs/dbraw/zinc/47/03/44/714470344.db2.gz OAQOZMOMXXAHHW-LLVKDONJSA-N -1 1 361.423 3.213 20 5 FGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1F ZINC000780067206 724444879 /nfs/dbraw/zinc/44/48/79/724444879.db2.gz FMXOEKIBZYQENT-QMMMGPOBSA-N -1 1 351.261 3.007 20 5 FGBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1F ZINC000749911308 722747472 /nfs/dbraw/zinc/74/74/72/722747472.db2.gz AJUIKPZOBKTOJJ-UHFFFAOYSA-N -1 1 370.377 3.129 20 5 FGBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1[N+](=O)[O-] ZINC000752196562 722848548 /nfs/dbraw/zinc/84/85/48/722848548.db2.gz WUHSTRFXOZDDJT-UHFFFAOYSA-N -1 1 366.786 3.005 20 5 FGBDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000767056929 723605744 /nfs/dbraw/zinc/60/57/44/723605744.db2.gz AZUFIBHFVRJGQA-UHFFFAOYSA-N -1 1 368.802 3.037 20 5 FGBDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C(F)(F)F ZINC000767603961 723625376 /nfs/dbraw/zinc/62/53/76/723625376.db2.gz ITBOYLHZKPMVEG-JVXZTZIISA-N -1 1 372.340 3.298 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000788707420 725082352 /nfs/dbraw/zinc/08/23/52/725082352.db2.gz ULSUXKLZDYUUIE-QWHCGFSZSA-N -1 1 370.789 3.222 20 5 FGBDMM Cc1ccsc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809810219 725270039 /nfs/dbraw/zinc/27/00/39/725270039.db2.gz PCFALRZOISGCDF-UHFFFAOYSA-N -1 1 364.807 3.236 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCS2)c(Cl)cc1Cl ZINC000809825587 725271260 /nfs/dbraw/zinc/27/12/60/725271260.db2.gz JBBCIPDGKFVYTD-SSDOTTSWSA-N -1 1 371.267 3.076 20 5 FGBDMM CCSc1cccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000813747533 726910815 /nfs/dbraw/zinc/91/08/15/726910815.db2.gz UUNILQSJAZVOBZ-UHFFFAOYSA-N -1 1 370.427 3.324 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1Cc2ccccc21 ZINC000814995650 727018188 /nfs/dbraw/zinc/01/81/88/727018188.db2.gz MLYZJCZDRPBCCM-SNVBAGLBSA-N -1 1 370.789 3.006 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(c2ccccc2F)CCC1 ZINC000828021345 729438649 /nfs/dbraw/zinc/43/86/49/729438649.db2.gz POLWQCOOFHCRDZ-UHFFFAOYSA-N -1 1 368.361 3.231 20 5 FGBDMM CC[C@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000848584158 731185846 /nfs/dbraw/zinc/18/58/46/731185846.db2.gz PKPITOUQOVJWCH-NSHDSACASA-N -1 1 357.338 3.290 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OC(F)(F)O2 ZINC000014869133 494327185 /nfs/dbraw/zinc/32/71/85/494327185.db2.gz QFEKSRKYMKNQJP-UHFFFAOYSA-N -1 1 372.305 3.026 20 5 FGBDMM Cc1sc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1[N+](=O)[O-] ZINC000045142880 494400176 /nfs/dbraw/zinc/40/01/76/494400176.db2.gz NAIZAGKLCSYFCB-UHFFFAOYSA-N -1 1 374.418 3.405 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-c2cnco2)cc1 ZINC000119778923 495239196 /nfs/dbraw/zinc/23/91/96/495239196.db2.gz DYWIYJIDSPDXQR-UHFFFAOYSA-N -1 1 359.363 3.359 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000135603708 495317185 /nfs/dbraw/zinc/31/71/85/495317185.db2.gz VWXKQVGLGOTTFT-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)c1C ZINC000135942232 495344759 /nfs/dbraw/zinc/34/47/59/495344759.db2.gz JXPXMISYKZTHLP-UHFFFAOYSA-N -1 1 374.378 3.062 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC000146414938 495565929 /nfs/dbraw/zinc/56/59/29/495565929.db2.gz HNBYYMSWCXOUPY-UHFFFAOYSA-N -1 1 361.206 3.380 20 5 FGBDMM COc1cccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])cnc3C)n2)c1 ZINC000170849540 495626449 /nfs/dbraw/zinc/62/64/49/495626449.db2.gz BBBIXOVMKIZPFW-UHFFFAOYSA-N -1 1 371.378 3.078 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000159954711 495849041 /nfs/dbraw/zinc/84/90/41/495849041.db2.gz CIZPYSKNYGVZIM-SECBINFHSA-N -1 1 361.832 3.134 20 5 FGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2Br)cc1 ZINC000577913573 505816513 /nfs/dbraw/zinc/81/65/13/505816513.db2.gz PPLAPGKMYASMBB-UHFFFAOYSA-N -1 1 371.212 3.299 20 5 FGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000186896805 496199562 /nfs/dbraw/zinc/19/95/62/496199562.db2.gz PEHHUWVNQWXJTA-MRVPVSSYSA-N -1 1 355.272 3.205 20 5 FGBDMM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175273791 496318453 /nfs/dbraw/zinc/31/84/53/496318453.db2.gz RDAZFLJKKZDCCV-ZYHUDNBSSA-N -1 1 364.876 3.201 20 5 FGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])[nH]n1 ZINC000162941165 496437761 /nfs/dbraw/zinc/43/77/61/496437761.db2.gz HFYZBIZKBDLYCI-JTQLQIEISA-N -1 1 368.415 3.031 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cccc1[N+](=O)[O-] ZINC000181664000 496492954 /nfs/dbraw/zinc/49/29/54/496492954.db2.gz GTRAUIGFRWUMIA-UHFFFAOYSA-N -1 1 372.349 3.348 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1F ZINC000165172656 496651093 /nfs/dbraw/zinc/65/10/93/496651093.db2.gz PBTPAGWHASIJJK-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC000173374998 496664155 /nfs/dbraw/zinc/66/41/55/496664155.db2.gz XXUQNWCJACDSML-CQSZACIVSA-N -1 1 373.431 3.103 20 5 FGBDMM O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193363908 497362411 /nfs/dbraw/zinc/36/24/11/497362411.db2.gz OSSQYYUVPSXKEI-NSHDSACASA-N -1 1 365.798 3.316 20 5 FGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263024674 497684191 /nfs/dbraw/zinc/68/41/91/497684191.db2.gz AJJVYKTZOCWDEY-AWEZNQCLSA-N -1 1 350.415 3.459 20 5 FGBDMM COc1cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000364947227 498222800 /nfs/dbraw/zinc/22/28/00/498222800.db2.gz ILXHHGCTMVDTJR-UHFFFAOYSA-N -1 1 356.378 3.408 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1C ZINC000325850000 498839596 /nfs/dbraw/zinc/83/95/96/498839596.db2.gz YDOMOXGWXPSEHW-UHFFFAOYSA-N -1 1 352.416 3.033 20 5 FGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C(c1ccccc1)c1ccccc1 ZINC000579174151 506109282 /nfs/dbraw/zinc/10/92/82/506109282.db2.gz PWVLSXISNLVKKB-UHFFFAOYSA-N -1 1 369.402 3.058 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000412680771 499875081 /nfs/dbraw/zinc/87/50/81/499875081.db2.gz SZJXRBIWCMAXIO-INIZCTEOSA-N -1 1 353.378 3.105 20 5 FGBDMM COc1cc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc(OC)c1C ZINC000431480936 500382625 /nfs/dbraw/zinc/38/26/25/500382625.db2.gz ACKAXXTXAZKNGH-UHFFFAOYSA-N -1 1 372.424 3.129 20 5 FGBDMM O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000447545008 500621729 /nfs/dbraw/zinc/62/17/29/500621729.db2.gz QDDOQVBCPMGXPW-UHFFFAOYSA-N -1 1 365.271 3.380 20 5 FGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Br)s1 ZINC000443399050 500718792 /nfs/dbraw/zinc/71/87/92/500718792.db2.gz PUVHEOPPIIELSC-ZCFIWIBFSA-N -1 1 372.200 3.010 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1C ZINC000434966900 500916662 /nfs/dbraw/zinc/91/66/62/500916662.db2.gz ZSKLVOPVAPEQKX-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM COc1cccc(C(=O)[N-]c2nnc(-c3ccccc3)s2)c1[N+](=O)[O-] ZINC000435659622 501007709 /nfs/dbraw/zinc/00/77/09/501007709.db2.gz LWEVLTFBMPTPOG-UHFFFAOYSA-N -1 1 356.363 3.374 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000435716947 501016482 /nfs/dbraw/zinc/01/64/82/501016482.db2.gz JGQLGAHYIWCJFQ-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](Cc3ccccc3)C2)s1 ZINC000445705860 501022297 /nfs/dbraw/zinc/02/22/97/501022297.db2.gz XQCKARQNQDVVOC-KGLIPLIRSA-N -1 1 366.464 3.346 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436252855 501096172 /nfs/dbraw/zinc/09/61/72/501096172.db2.gz MWTVWHMRLPUCFD-UHFFFAOYSA-N -1 1 360.395 3.007 20 5 FGBDMM O=C(c1cc2ccccc2cc1[O-])N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000436614934 501170247 /nfs/dbraw/zinc/17/02/47/501170247.db2.gz CHXYKKOXVJTZTG-UHFFFAOYSA-N -1 1 364.357 3.488 20 5 FGBDMM COc1ccc(NC(=O)c2cc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000436739899 501201678 /nfs/dbraw/zinc/20/16/78/501201678.db2.gz QZIMTWGLYAEYFW-UHFFFAOYSA-N -1 1 367.155 3.324 20 5 FGBDMM Cc1cccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)c1[N+](=O)[O-] ZINC000436913831 501232262 /nfs/dbraw/zinc/23/22/62/501232262.db2.gz HGMSUCJJSIWHQV-UHFFFAOYSA-N -1 1 373.756 3.300 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cccc(-n2cccn2)c1 ZINC000481941690 501924583 /nfs/dbraw/zinc/92/45/83/501924583.db2.gz BIOFHSKJRZGMSK-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000481945291 501925544 /nfs/dbraw/zinc/92/55/44/501925544.db2.gz IVYYNDYELGNGNR-UHFFFAOYSA-N -1 1 362.407 3.337 20 5 FGBDMM O=c1cc(/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)nc2nc[n-]n21 ZINC000486168225 502068793 /nfs/dbraw/zinc/06/87/93/502068793.db2.gz FGTVPMZBLIYOTG-SNAWJCMRSA-N -1 1 365.374 3.225 20 5 FGBDMM Cc1nn(C)c2cc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)ccc12 ZINC000461332473 502072826 /nfs/dbraw/zinc/07/28/26/502072826.db2.gz OQQOQFUQKLKOHE-UHFFFAOYSA-N -1 1 374.422 3.208 20 5 FGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)c1[N+](=O)[O-] ZINC000479130883 502171571 /nfs/dbraw/zinc/17/15/71/502171571.db2.gz DLGMPXVRWICKAM-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM CCCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000475796128 502294735 /nfs/dbraw/zinc/29/47/35/502294735.db2.gz SVCTZCCOMYHGGT-UHFFFAOYSA-N -1 1 354.359 3.324 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](c3ccc(F)cc3)C2)s1 ZINC000480713406 502651173 /nfs/dbraw/zinc/65/11/73/502651173.db2.gz MARNTNRYLNUJLG-AAEUAGOBSA-N -1 1 370.427 3.410 20 5 FGBDMM COc1c(C(=O)N=c2cc(-c3cc(C)ccc3F)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000481069766 502747088 /nfs/dbraw/zinc/74/70/88/502747088.db2.gz FNNIXLOLGMVFNT-UHFFFAOYSA-N -1 1 370.340 3.115 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(CCC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000494488826 503550145 /nfs/dbraw/zinc/55/01/45/503550145.db2.gz ZWZUEQJOPLRKJR-UHFFFAOYSA-N -1 1 366.443 3.324 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(CSC)c2)cc1[N+](=O)[O-] ZINC000517594215 503781007 /nfs/dbraw/zinc/78/10/07/503781007.db2.gz NWLYNFCFKLROCM-UHFFFAOYSA-N -1 1 368.436 3.267 20 5 FGBDMM COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1OC(F)F ZINC000547087956 503979118 /nfs/dbraw/zinc/97/91/18/503979118.db2.gz IANZGNYTKAPYRC-UHFFFAOYSA-N -1 1 366.280 3.174 20 5 FGBDMM COc1cc(CSc2ncc(C)c(=O)[n-]2)c([N+](=O)[O-])cc1OC(F)F ZINC000518564052 504016709 /nfs/dbraw/zinc/01/67/09/504016709.db2.gz FGVBVPHENSQTSR-UHFFFAOYSA-N -1 1 373.337 3.301 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000538003696 504108955 /nfs/dbraw/zinc/10/89/55/504108955.db2.gz BHWQAZPQGSWADB-UHFFFAOYSA-N -1 1 350.396 3.491 20 5 FGBDMM Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000520030888 504401277 /nfs/dbraw/zinc/40/12/77/504401277.db2.gz CDEQOLAACAHSTI-GFCCVEGCSA-N -1 1 368.842 3.466 20 5 FGBDMM O=C([O-])Cc1ccc(NC[C@H](c2ccco2)N2CCCCC2)c([N+](=O)[O-])c1 ZINC000565038952 504777948 /nfs/dbraw/zinc/77/79/48/504777948.db2.gz WTTVIDOTYZUCDM-QGZVFWFLSA-N -1 1 373.409 3.454 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000552733250 505545361 /nfs/dbraw/zinc/54/53/61/505545361.db2.gz KBOIAMMNCNEEDH-YPMHNXCESA-N -1 1 370.789 3.222 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(C)c1 ZINC000603983599 506679608 /nfs/dbraw/zinc/67/96/08/506679608.db2.gz GXXDGNUMUJUKAC-UHFFFAOYSA-N -1 1 366.395 3.111 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCc2ccc(F)cc21 ZINC000609319555 506850618 /nfs/dbraw/zinc/85/06/18/506850618.db2.gz IFYJGCWFSBEABB-CYBMUJFWSA-N -1 1 370.789 3.353 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCc1cccc(F)c1 ZINC000609465717 506890372 /nfs/dbraw/zinc/89/03/72/506890372.db2.gz MMKOTEJSRVUXFD-UHFFFAOYSA-N -1 1 372.805 3.298 20 5 FGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1[N+](=O)[O-] ZINC000610032589 507077227 /nfs/dbraw/zinc/07/72/27/507077227.db2.gz LQLOQJPKIRTNFP-UHFFFAOYSA-N -1 1 366.786 3.005 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c(C)cc1[N+](=O)[O-] ZINC000591257822 507172553 /nfs/dbraw/zinc/17/25/53/507172553.db2.gz OWTOAJQOTNABOA-UHFFFAOYSA-N -1 1 352.416 3.033 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000610957381 507454371 /nfs/dbraw/zinc/45/43/71/507454371.db2.gz JVFKGZRPVGAHTP-SSDOTTSWSA-N -1 1 374.287 3.080 20 5 FGBDMM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc([O-])c(F)c1 ZINC000586836006 507688947 /nfs/dbraw/zinc/68/89/47/507688947.db2.gz DIJWNQZXCBEESM-UHFFFAOYSA-N -1 1 355.119 3.454 20 5 FGBDMM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611535463 507726052 /nfs/dbraw/zinc/72/60/52/507726052.db2.gz DGIJGDAXJSRACP-OAHLLOKOSA-N -1 1 369.421 3.037 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1Oc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000738359654 598956928 /nfs/dbraw/zinc/95/69/28/598956928.db2.gz LFPOYJYELJAWSR-UHFFFAOYSA-N -1 1 369.728 3.164 20 5 FGBDMM O=C([O-])[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000739503997 599788912 /nfs/dbraw/zinc/78/89/12/599788912.db2.gz GWIOWFJFCFFDKW-LBPRGKRZSA-N -1 1 371.212 3.334 20 5 FGBDMM CC(C)[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)NC(=O)[O-] ZINC000738792397 602791300 /nfs/dbraw/zinc/79/13/00/602791300.db2.gz GUCRRLHZZFISLG-CQSZACIVSA-N -1 1 364.427 3.100 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(OC2CCCC2)cc1 ZINC000823624527 607167657 /nfs/dbraw/zinc/16/76/57/607167657.db2.gz BRHLNDRIQOYMHI-UHFFFAOYSA-N -1 1 367.369 3.235 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(OC2CCCC2)cc1 ZINC000823624527 607167658 /nfs/dbraw/zinc/16/76/58/607167658.db2.gz BRHLNDRIQOYMHI-UHFFFAOYSA-N -1 1 367.369 3.235 20 5 FGBDMM C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000047670817 695866162 /nfs/dbraw/zinc/86/61/62/695866162.db2.gz ZJOWFSORXTWQPY-GFCCVEGCSA-N -1 1 352.387 3.034 20 5 FGBDMM CCC[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000050165099 695900620 /nfs/dbraw/zinc/90/06/20/695900620.db2.gz KHPNHNNQYGDBFC-SNVBAGLBSA-N -1 1 365.249 3.214 20 5 FGBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)cc1[N+](=O)[O-] ZINC000160645384 705258098 /nfs/dbraw/zinc/25/80/98/705258098.db2.gz GQSJEGFSAWSBDY-UHFFFAOYSA-N -1 1 358.807 3.204 20 5 FGBDMM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175702281 705556459 /nfs/dbraw/zinc/55/64/59/705556459.db2.gz FSNSYSTZQNDTJU-NEPJUHHUSA-N -1 1 362.448 3.077 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000617203407 714636162 /nfs/dbraw/zinc/63/61/62/714636162.db2.gz AKADUSAGOSMICD-UHFFFAOYSA-N -1 1 352.416 3.033 20 5 FGBDMM O=C(Nc1c([O-])cccc1F)c1cccc([N+](=O)[O-])c1Br ZINC000782168776 724633901 /nfs/dbraw/zinc/63/39/01/724633901.db2.gz DFWXZUYYKUBXGC-UHFFFAOYSA-N -1 1 355.119 3.454 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000725823501 722423735 /nfs/dbraw/zinc/42/37/35/722423735.db2.gz QRKRVOFNHQUEAJ-UHFFFAOYSA-N -1 1 367.235 3.442 20 5 FGBDMM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732579968 722486194 /nfs/dbraw/zinc/48/61/94/722486194.db2.gz OMQYBKXRGSINJU-MRVPVSSYSA-N -1 1 360.757 3.321 20 5 FGBDMM Cc1cccc(F)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000742326118 722555461 /nfs/dbraw/zinc/55/54/61/722555461.db2.gz LAYRQYKWBLRORZ-UHFFFAOYSA-N -1 1 358.778 3.174 20 5 FGBDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000760339238 723049980 /nfs/dbraw/zinc/04/99/80/723049980.db2.gz TYDBZILTMDZLIA-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM Cc1cnc(Cl)c([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000790638857 723161899 /nfs/dbraw/zinc/16/18/99/723161899.db2.gz SBLLCBQLGIADIE-UHFFFAOYSA-N -1 1 355.803 3.369 20 5 FGBDMM COc1c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)cccc1[N+](=O)[O-] ZINC000796558996 723643875 /nfs/dbraw/zinc/64/38/75/723643875.db2.gz QQPNWPZOJXSTAR-UHFFFAOYSA-N -1 1 353.237 3.042 20 5 FGBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000768862555 723670012 /nfs/dbraw/zinc/67/00/12/723670012.db2.gz VHFHDTZMOPCRIS-ZDUSSCGKSA-N -1 1 352.437 3.357 20 5 FGBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc21 ZINC000769929971 723701275 /nfs/dbraw/zinc/70/12/75/723701275.db2.gz KAOMIUBJEHUKSS-AWEZNQCLSA-N -1 1 364.398 3.435 20 5 FGBDMM CC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000775211170 723971650 /nfs/dbraw/zinc/97/16/50/723971650.db2.gz XTKSBGVXTKJNMT-JTQLQIEISA-N -1 1 360.741 3.258 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000775471584 723993704 /nfs/dbraw/zinc/99/37/04/723993704.db2.gz ZUCUSFDNGKNEHE-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCSC2)c(Cl)cc1Cl ZINC000809823988 725271247 /nfs/dbraw/zinc/27/12/47/725271247.db2.gz XDLQFEFWGHOWPZ-ZETCQYMHSA-N -1 1 371.267 3.076 20 5 FGBDMM CC(C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1F ZINC000813758033 726912093 /nfs/dbraw/zinc/91/20/93/726912093.db2.gz GGOQGYFPLGXRFY-UHFFFAOYSA-N -1 1 356.350 3.087 20 5 FGBDMM COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000844248493 730695113 /nfs/dbraw/zinc/69/51/13/730695113.db2.gz CVCYRSYKBOTSMR-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC(F)(F)C1 ZINC000872668085 735659341 /nfs/dbraw/zinc/65/93/41/735659341.db2.gz VOPOJTPLAINHIO-UHFFFAOYSA-N -1 1 374.287 3.080 20 5 FGBDMM O=C([O-])[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000901900975 743672131 /nfs/dbraw/zinc/67/21/31/743672131.db2.gz STBZWZGIAMGBSZ-NWDGAFQWSA-N -1 1 359.209 3.444 20 5 FGBDMM O=C([N-]c1n[nH]c(-c2cccs2)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000917128438 758182406 /nfs/dbraw/zinc/18/24/06/758182406.db2.gz XQUVRCOEMVEAHI-UHFFFAOYSA-N -1 1 355.335 3.440 20 5 FGBDMM O=C([O-])C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923241555 759088111 /nfs/dbraw/zinc/08/81/11/759088111.db2.gz QIISAFYMXAMMOY-LLVKDONJSA-N -1 1 371.231 3.434 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)cc1[N+](=O)[O-] ZINC000048230693 493805713 /nfs/dbraw/zinc/80/57/13/493805713.db2.gz NTWFACBWCQDRQE-UHFFFAOYSA-N -1 1 359.363 3.359 20 5 FGBDMM C[C@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000580179148 505697004 /nfs/dbraw/zinc/69/70/04/505697004.db2.gz GNWNJIUQDWMLAA-ZETCQYMHSA-N -1 1 370.337 3.147 20 5 FGBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000066000313 494266349 /nfs/dbraw/zinc/26/63/49/494266349.db2.gz IZRGZAANMCXPER-ZDUSSCGKSA-N -1 1 354.453 3.374 20 5 FGBDMM O=C(Nc1ccc(Br)cc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000054777341 494269401 /nfs/dbraw/zinc/26/94/01/494269401.db2.gz OXSLZTMGVQNYKP-UHFFFAOYSA-N -1 1 355.119 3.454 20 5 FGBDMM Cc1ccsc1-c1nsc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)n1 ZINC000131423402 494613463 /nfs/dbraw/zinc/61/34/63/494613463.db2.gz DVMFNQJWQYWNGG-UHFFFAOYSA-N -1 1 361.408 3.439 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(-c2ccsc2)ns1 ZINC000109111412 494833535 /nfs/dbraw/zinc/83/35/35/494833535.db2.gz RMVVIROOQKHACD-UHFFFAOYSA-N -1 1 362.392 3.436 20 5 FGBDMM CN(CCc1cccc2ccccc21)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000101673503 495090527 /nfs/dbraw/zinc/09/05/27/495090527.db2.gz GKYZGWAMRGJSDY-UHFFFAOYSA-N -1 1 351.362 3.163 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCc1ccccc1 ZINC000145549239 495556948 /nfs/dbraw/zinc/55/69/48/495556948.db2.gz VLGBOURKPPAGFZ-UHFFFAOYSA-N -1 1 354.815 3.159 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC000180284699 495936199 /nfs/dbraw/zinc/93/61/99/495936199.db2.gz NYURPIPTNOAYJJ-UHFFFAOYSA-N -1 1 362.194 3.406 20 5 FGBDMM Cc1csc(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)CCCC2)n1 ZINC000171838827 496059245 /nfs/dbraw/zinc/05/92/45/496059245.db2.gz MCGFSPKNMYIUCG-UHFFFAOYSA-N -1 1 373.481 3.169 20 5 FGBDMM Cc1ccccc1CS(=O)(=O)[N-]c1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000186615438 496073892 /nfs/dbraw/zinc/07/38/92/496073892.db2.gz JRMQVNQNXVUZHD-UHFFFAOYSA-N -1 1 372.406 3.235 20 5 FGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000162683649 496396592 /nfs/dbraw/zinc/39/65/92/496396592.db2.gz WGVWLZQGYDKURN-JTQLQIEISA-N -1 1 352.416 3.331 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1C ZINC000191565167 496814799 /nfs/dbraw/zinc/81/47/99/496814799.db2.gz IJBGNNHRLDAJTQ-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)c(C)c1 ZINC000191565587 496814857 /nfs/dbraw/zinc/81/48/57/496814857.db2.gz WLFJOWBNXOUYTQ-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000569243795 505887363 /nfs/dbraw/zinc/88/73/63/505887363.db2.gz RGISVXZOHSDFAF-CQSZACIVSA-N -1 1 374.400 3.496 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000193376512 497364144 /nfs/dbraw/zinc/36/41/44/497364144.db2.gz NTVDGUODRJGXQP-UHFFFAOYSA-N -1 1 364.361 3.106 20 5 FGBDMM COc1ccc2oc([C@H](C)NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c(C)c2c1 ZINC000193558853 497413467 /nfs/dbraw/zinc/41/34/67/497413467.db2.gz SILYNSQPYAOTQX-JTQLQIEISA-N -1 1 371.349 3.250 20 5 FGBDMM O=C(N[C@H](CC(F)(F)F)c1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193791631 497483474 /nfs/dbraw/zinc/48/34/74/497483474.db2.gz PMJXGXFTNUHNEE-LLVKDONJSA-N -1 1 373.262 3.258 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000575356539 505967874 /nfs/dbraw/zinc/96/78/74/505967874.db2.gz JRPJHEVWXNDKPC-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000581480205 505998028 /nfs/dbraw/zinc/99/80/28/505998028.db2.gz IHVGGROCIJSIAM-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM O=C(N[C@H](c1cccs1)c1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000570153305 506103237 /nfs/dbraw/zinc/10/32/37/506103237.db2.gz QOWJKIVPIJVYAQ-HNNXBMFYSA-N -1 1 373.365 3.415 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431136077 500339738 /nfs/dbraw/zinc/33/97/38/500339738.db2.gz DPFBYVRTQQKQJA-UHFFFAOYSA-N -1 1 360.313 3.375 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1nc2ccc(C)cc2[nH]1 ZINC000427626746 500413009 /nfs/dbraw/zinc/41/30/09/500413009.db2.gz SMRFVPHCCAQVQU-UHFFFAOYSA-N -1 1 360.395 3.143 20 5 FGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1 ZINC000442351178 500583027 /nfs/dbraw/zinc/58/30/27/500583027.db2.gz NTOSAPDGWNKCHK-UHFFFAOYSA-N -1 1 358.322 3.040 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(-c2cc(C)ccc2F)[n-][nH]1 ZINC000444808554 500904824 /nfs/dbraw/zinc/90/48/24/500904824.db2.gz SPZWTQQMLZPOAK-UHFFFAOYSA-N -1 1 370.340 3.115 20 5 FGBDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3ccc(F)cc3[N+](=O)[O-])[nH][n-]2)c1 ZINC000444815708 500906369 /nfs/dbraw/zinc/90/63/69/500906369.db2.gz WDRYWXBPEZYLTI-UHFFFAOYSA-N -1 1 358.304 3.246 20 5 FGBDMM CCc1ccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000434975363 500918374 /nfs/dbraw/zinc/91/83/74/500918374.db2.gz BLTWVFOKCXQCPE-UHFFFAOYSA-N -1 1 372.406 3.348 20 5 FGBDMM CCc1cccc(CC)c1NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000445320022 500973274 /nfs/dbraw/zinc/97/32/74/500973274.db2.gz NNQILJSMMYJGEA-UHFFFAOYSA-N -1 1 369.381 3.279 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(F)c3)C2)s1 ZINC000435596349 500998906 /nfs/dbraw/zinc/99/89/06/500998906.db2.gz HMKLOQKUMVLGSW-UMSPYCQHSA-N -1 1 356.400 3.020 20 5 FGBDMM COc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1[N+](=O)[O-] ZINC000436762458 501206975 /nfs/dbraw/zinc/20/69/75/501206975.db2.gz DYSZFXQKOMUZRM-UHFFFAOYSA-N -1 1 370.283 3.258 20 5 FGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451722825 501360209 /nfs/dbraw/zinc/36/02/09/501360209.db2.gz WCZQKZWYNIWQQI-QWRGUYRKSA-N -1 1 366.361 3.384 20 5 FGBDMM CCCCc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000471523620 502054990 /nfs/dbraw/zinc/05/49/90/502054990.db2.gz STXXUXLQPJZZGN-UHFFFAOYSA-N -1 1 372.834 3.423 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)cc1C ZINC000478710440 502065444 /nfs/dbraw/zinc/06/54/44/502065444.db2.gz QDKPRRJNAJBVOA-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000479130328 502171879 /nfs/dbraw/zinc/17/18/79/502171879.db2.gz RQKUIQWGUZKEFR-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000471944923 502179647 /nfs/dbraw/zinc/17/96/47/502179647.db2.gz UBIGZYAFHIWBEU-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(CCC(C)C)n[nH]1 ZINC000468932576 502235235 /nfs/dbraw/zinc/23/52/35/502235235.db2.gz JZQDBKUACOEIMD-UHFFFAOYSA-N -1 1 352.416 3.016 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1F ZINC000479537308 502290187 /nfs/dbraw/zinc/29/01/87/502290187.db2.gz BKIKCXOLHXTGHU-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM Cc1cc(C)cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000462723105 502549778 /nfs/dbraw/zinc/54/97/78/502549778.db2.gz SFEZPRKGSKKINZ-GFCCVEGCSA-N -1 1 354.453 3.183 20 5 FGBDMM O=c1cc(C(F)(F)F)nc(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[n-]1 ZINC000473793981 502708512 /nfs/dbraw/zinc/70/85/12/502708512.db2.gz IJASEUISWRCLTC-UHFFFAOYSA-N -1 1 371.300 3.278 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](c3cccc(F)c3)C2)s1 ZINC000481261681 502799368 /nfs/dbraw/zinc/79/93/68/502799368.db2.gz PQKCJVWRLLTYHM-AAEUAGOBSA-N -1 1 370.427 3.410 20 5 FGBDMM CC(C)(C)c1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000512507598 503572582 /nfs/dbraw/zinc/57/25/82/503572582.db2.gz BTQQFHXBQPPCLU-UHFFFAOYSA-N -1 1 355.394 3.191 20 5 FGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CC1CCC1)c1ccccc1 ZINC000537594157 503966049 /nfs/dbraw/zinc/96/60/49/503966049.db2.gz ZFXABWRXOSJZBN-OAHLLOKOSA-N -1 1 361.423 3.200 20 5 FGBDMM CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c([O-])c1 ZINC000534828482 504253412 /nfs/dbraw/zinc/25/34/12/504253412.db2.gz YRKPOOAMGDYNLX-UHFFFAOYSA-N -1 1 364.741 3.383 20 5 FGBDMM Cc1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])c1Cl ZINC000547899122 504260525 /nfs/dbraw/zinc/26/05/25/504260525.db2.gz YNJQOFHAGWTZRM-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000538687079 504327477 /nfs/dbraw/zinc/32/74/77/504327477.db2.gz LACRNVHKXYIDAH-UHFFFAOYSA-N -1 1 353.363 3.202 20 5 FGBDMM C[C@H](c1ccc(C(=O)[O-])o1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000566920569 505312206 /nfs/dbraw/zinc/31/22/06/505312206.db2.gz OZCUMRJEIDQYEW-GFCCVEGCSA-N -1 1 360.366 3.490 20 5 FGBDMM Cc1cc(I)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000561328216 505315609 /nfs/dbraw/zinc/31/56/09/505315609.db2.gz KDEGYSQLBCLHMX-UHFFFAOYSA-N -1 1 371.134 3.088 20 5 FGBDMM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC000567375762 505444785 /nfs/dbraw/zinc/44/47/85/505444785.db2.gz HGIUJRUGAFBCET-UHFFFAOYSA-N -1 1 350.396 3.275 20 5 FGBDMM COC(=O)c1ccc([N+](=O)[O-])c(CSc2nc(C3CC3)cc(=O)[n-]2)c1 ZINC000593422064 506611196 /nfs/dbraw/zinc/61/11/96/506611196.db2.gz HSGWTYVLUFKMDE-UHFFFAOYSA-N -1 1 361.379 3.047 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000603983217 506680103 /nfs/dbraw/zinc/68/01/03/506680103.db2.gz MZNRABVHUPHFOK-UHFFFAOYSA-N -1 1 374.321 3.006 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(Cl)cc3)CC2)s1 ZINC000608981923 506758739 /nfs/dbraw/zinc/75/87/39/506758739.db2.gz USELFOLGHKVNPT-UHFFFAOYSA-N -1 1 372.855 3.320 20 5 FGBDMM CO[C@@H](C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-])C1CC1 ZINC000593947893 506842010 /nfs/dbraw/zinc/84/20/10/506842010.db2.gz CRHROMVSHVIFKS-AEFFLSMTSA-N -1 1 374.393 3.213 20 5 FGBDMM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c(F)ccc([O-])c1F ZINC000583596524 506866791 /nfs/dbraw/zinc/86/67/91/506866791.db2.gz PJKDVKSVXWRZRY-UHFFFAOYSA-N -1 1 361.304 3.032 20 5 FGBDMM C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@H]1C(=O)[O-] ZINC000600799000 507127245 /nfs/dbraw/zinc/12/72/45/507127245.db2.gz CTBGXGBSQYNNCR-XHDPSFHLSA-N -1 1 361.423 3.261 20 5 FGBDMM O=C(Cc1ccc([N+](=O)[O-])cc1Br)Nc1c([O-])cccc1F ZINC000610674145 507341473 /nfs/dbraw/zinc/34/14/73/507341473.db2.gz IJYPZVDKTVSTJE-UHFFFAOYSA-N -1 1 369.146 3.383 20 5 FGBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SCC(F)(F)F)n1 ZINC000611537494 507726929 /nfs/dbraw/zinc/72/69/29/507726929.db2.gz BFQYMEJPAXIULN-UHFFFAOYSA-N -1 1 360.317 3.235 20 5 FGBDMM O=[N+]([O-])c1cnc(Oc2cc(Cl)cc(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000823651694 599258318 /nfs/dbraw/zinc/25/83/18/599258318.db2.gz NRMJWDBMDTVSAK-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM O=[N+]([O-])c1cnc(Oc2cc(Cl)cc(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000823651694 599258319 /nfs/dbraw/zinc/25/83/19/599258319.db2.gz NRMJWDBMDTVSAK-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM C[C@H](C(=O)[O-])[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000826051160 601649880 /nfs/dbraw/zinc/64/98/80/601649880.db2.gz BDBLELYOFOJWIL-YVEFUNNKSA-N -1 1 372.377 3.013 20 5 FGBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000819984230 606702556 /nfs/dbraw/zinc/70/25/56/606702556.db2.gz RTGMYGSXWLAKHN-UHFFFAOYSA-N -1 1 373.804 3.213 20 5 FGBDMM CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000819984230 606702559 /nfs/dbraw/zinc/70/25/59/606702559.db2.gz RTGMYGSXWLAKHN-UHFFFAOYSA-N -1 1 373.804 3.213 20 5 FGBDMM CC(C)Oc1cccc([C@@H](C)Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820178476 607168419 /nfs/dbraw/zinc/16/84/19/607168419.db2.gz QUFRWEIARFMMOT-LLVKDONJSA-N -1 1 369.385 3.130 20 5 FGBDMM CC(C)Oc1cccc([C@@H](C)Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820178476 607168420 /nfs/dbraw/zinc/16/84/20/607168420.db2.gz QUFRWEIARFMMOT-LLVKDONJSA-N -1 1 369.385 3.130 20 5 FGBDMM CCC[C@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000050165101 695900590 /nfs/dbraw/zinc/90/05/90/695900590.db2.gz KHPNHNNQYGDBFC-JTQLQIEISA-N -1 1 365.249 3.214 20 5 FGBDMM COc1ccc([C@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000119379068 700627700 /nfs/dbraw/zinc/62/77/00/700627700.db2.gz RYIARVRWCNCZCK-OAHLLOKOSA-N -1 1 368.436 3.095 20 5 FGBDMM Cc1cccnc1[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)C ZINC000119769241 700638334 /nfs/dbraw/zinc/63/83/34/700638334.db2.gz VRGGDIVORZFOGN-ZDUSSCGKSA-N -1 1 355.441 3.035 20 5 FGBDMM CSc1cc(C)ccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119961175 700644224 /nfs/dbraw/zinc/64/42/24/700644224.db2.gz NSWPZMKAUMGLER-UHFFFAOYSA-N -1 1 358.466 3.165 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C1CC1 ZINC000122353655 700688412 /nfs/dbraw/zinc/68/84/12/700688412.db2.gz FZJUXMUYAWAKPT-HNNXBMFYSA-N -1 1 364.398 3.034 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000159608247 705228491 /nfs/dbraw/zinc/22/84/91/705228491.db2.gz DYPFWSBTCIRMHV-ZDUSSCGKSA-N -1 1 374.340 3.442 20 5 FGBDMM CCc1ccc([C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(C)C)cc1 ZINC000525129015 714321973 /nfs/dbraw/zinc/32/19/73/714321973.db2.gz APEYXVARTYVDRY-INIZCTEOSA-N -1 1 363.439 3.228 20 5 FGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c1[N+](=O)[O-] ZINC000616244694 714576749 /nfs/dbraw/zinc/57/67/49/714576749.db2.gz OFWIGZSHMNKGJC-UHFFFAOYSA-N -1 1 352.416 3.033 20 5 FGBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC000780073124 724445403 /nfs/dbraw/zinc/44/54/03/724445403.db2.gz YWGSXOVHWOOUQR-UHFFFAOYSA-N -1 1 353.689 3.133 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000725826634 722423976 /nfs/dbraw/zinc/42/39/76/722423976.db2.gz HINQOHGBCIFTKM-STQMWFEESA-N -1 1 352.799 3.083 20 5 FGBDMM Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045767 723675477 /nfs/dbraw/zinc/67/54/77/723675477.db2.gz IDSOVXREVWIBMD-UHFFFAOYSA-N -1 1 364.741 3.058 20 5 FGBDMM CSc1ccccc1[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000799822863 724101488 /nfs/dbraw/zinc/10/14/88/724101488.db2.gz PBIXIMYHLQQZGR-JTQLQIEISA-N -1 1 370.427 3.495 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000805143157 725052899 /nfs/dbraw/zinc/05/28/99/725052899.db2.gz DSEGRAQNJNBSDP-SNVBAGLBSA-N -1 1 354.762 3.023 20 5 FGBDMM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809822398 725271155 /nfs/dbraw/zinc/27/11/55/725271155.db2.gz JTGVEIFBCJYMCR-QMMMGPOBSA-N -1 1 370.855 3.197 20 5 FGBDMM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018802 727020712 /nfs/dbraw/zinc/02/07/12/727020712.db2.gz BONSXMMYPRIXIG-QMMMGPOBSA-N -1 1 370.855 3.197 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000829973918 729526776 /nfs/dbraw/zinc/52/67/76/729526776.db2.gz PXQQQZONMDWOMR-UHFFFAOYSA-N -1 1 362.407 3.499 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CCC1 ZINC000830954208 729605815 /nfs/dbraw/zinc/60/58/15/729605815.db2.gz XWFHWOSLQLBITF-ZETCQYMHSA-N -1 1 353.227 3.369 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000916729966 758122459 /nfs/dbraw/zinc/12/24/59/758122459.db2.gz NWHDOXGAXXRCMA-UHFFFAOYSA-N -1 1 369.830 3.423 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccccc32)s1 ZINC000064243725 494109037 /nfs/dbraw/zinc/10/90/37/494109037.db2.gz ZYNRRDJKFYBTRQ-JTQLQIEISA-N -1 1 356.450 3.172 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cccc3ccccc32)s1 ZINC000066000392 494266748 /nfs/dbraw/zinc/26/67/48/494266748.db2.gz LMNJGZLQTGHVIC-UHFFFAOYSA-N -1 1 362.432 3.331 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000079273030 494428934 /nfs/dbraw/zinc/42/89/34/494428934.db2.gz XHQOAPGKBPMWCH-CYBMUJFWSA-N -1 1 360.313 3.177 20 5 FGBDMM CCCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000022975050 494544664 /nfs/dbraw/zinc/54/46/64/494544664.db2.gz LWSNKGJVWNJEGR-UHFFFAOYSA-N -1 1 350.400 3.440 20 5 FGBDMM Cc1sc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)cc1[N+](=O)[O-] ZINC000577445329 505728549 /nfs/dbraw/zinc/72/85/49/505728549.db2.gz RRZZEDVDXTVZNU-UHFFFAOYSA-N -1 1 362.379 3.035 20 5 FGBDMM O=[N+]([O-])c1ccc(NCCc2n[n-]c(=S)n2C2CC2)c2ncccc12 ZINC000092651759 494697625 /nfs/dbraw/zinc/69/76/25/494697625.db2.gz MTNVOHFOSKMUTC-UHFFFAOYSA-N -1 1 356.411 3.387 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1nc(C)cs1 ZINC000123761690 495182629 /nfs/dbraw/zinc/18/26/29/495182629.db2.gz CXOZHDRNKGPWEB-SECBINFHSA-N -1 1 361.470 3.159 20 5 FGBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)c1[N+](=O)[O-] ZINC000115149687 495468493 /nfs/dbraw/zinc/46/84/93/495468493.db2.gz QPNFJWWOTLHZHP-UHFFFAOYSA-N -1 1 372.410 3.024 20 5 FGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[nH]n1 ZINC000159887867 495833113 /nfs/dbraw/zinc/83/31/13/495833113.db2.gz CZSOGZVHYOYTQN-NSHDSACASA-N -1 1 352.416 3.331 20 5 FGBDMM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)o1 ZINC000186919434 496211794 /nfs/dbraw/zinc/21/17/94/496211794.db2.gz VYWQJMZLIBWVPB-IINYFYTJSA-N -1 1 357.366 3.217 20 5 FGBDMM COc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc(Cl)c1[O-] ZINC000154029610 496660565 /nfs/dbraw/zinc/66/05/65/496660565.db2.gz SLWNILGWRGHVJT-UHFFFAOYSA-N -1 1 362.729 3.091 20 5 FGBDMM CCOc1cc([N-]C(=O)c2ncc(F)cc2F)c([N+](=O)[O-])cc1OCC ZINC000192101462 496995390 /nfs/dbraw/zinc/99/53/90/496995390.db2.gz GBELGNUFEPSADA-UHFFFAOYSA-N -1 1 367.308 3.318 20 5 FGBDMM CCOc1cccc2cc([C@@H](C)NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)oc21 ZINC000193360961 497361013 /nfs/dbraw/zinc/36/10/13/497361013.db2.gz IDDOLVFZDQCIRD-SNVBAGLBSA-N -1 1 371.349 3.331 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1-c1ncco1 ZINC000194648521 497728723 /nfs/dbraw/zinc/72/87/23/497728723.db2.gz FRISXCISHOJYRQ-UHFFFAOYSA-N -1 1 359.363 3.359 20 5 FGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1I ZINC000301182583 497988410 /nfs/dbraw/zinc/98/84/10/497988410.db2.gz PFBARSSYBFMXJE-UHFFFAOYSA-N -1 1 371.134 3.088 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000326512974 498844166 /nfs/dbraw/zinc/84/41/66/498844166.db2.gz BPJIZHYQLHNGJM-UHFFFAOYSA-N -1 1 370.408 3.026 20 5 FGBDMM CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000327323547 498855398 /nfs/dbraw/zinc/85/53/98/498855398.db2.gz VTRYAVGIHQGBLA-UHFFFAOYSA-N -1 1 366.395 3.104 20 5 FGBDMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)cc1[N+](=O)[O-] ZINC000426810642 500323799 /nfs/dbraw/zinc/32/37/99/500323799.db2.gz PQLMSQAIAQMGHG-MRXNPFEDSA-N -1 1 364.785 3.481 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000431178185 500346335 /nfs/dbraw/zinc/34/63/35/500346335.db2.gz IFIUEZYVOJVDDA-UHFFFAOYSA-N -1 1 360.313 3.430 20 5 FGBDMM Cc1ccc2nc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)[nH]c2c1 ZINC000427628076 500413199 /nfs/dbraw/zinc/41/31/99/500413199.db2.gz CTNSETMZDCOWQB-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM COc1cc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000442734531 500616703 /nfs/dbraw/zinc/61/67/03/500616703.db2.gz DORBBHOFJBNDAI-SECBINFHSA-N -1 1 350.758 3.453 20 5 FGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc(-c3ccccc3F)on2)c1 ZINC000448493388 500765219 /nfs/dbraw/zinc/76/52/19/500765219.db2.gz VQKOEWSQFCIRLR-UHFFFAOYSA-N -1 1 357.297 3.072 20 5 FGBDMM O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccc([O-])cc1F ZINC000436820268 501216294 /nfs/dbraw/zinc/21/62/94/501216294.db2.gz QVALRHQSMBHVBY-UHFFFAOYSA-N -1 1 358.247 3.388 20 5 FGBDMM Cc1ccc(C(=O)Nc2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cc1[N+](=O)[O-] ZINC000436914442 501232300 /nfs/dbraw/zinc/23/23/00/501232300.db2.gz LTIWCUBCYZHAMV-UHFFFAOYSA-N -1 1 373.756 3.300 20 5 FGBDMM Cc1ccc(C(=O)Nc2nc(-c3ccc([O-])c(Cl)c3)n[nH]2)cc1[N+](=O)[O-] ZINC000436914442 501232302 /nfs/dbraw/zinc/23/23/02/501232302.db2.gz LTIWCUBCYZHAMV-UHFFFAOYSA-N -1 1 373.756 3.300 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c2ncccc12 ZINC000463523066 501750410 /nfs/dbraw/zinc/75/04/10/501750410.db2.gz LMZHDGIALUZGRH-UHFFFAOYSA-N -1 1 365.317 3.222 20 5 FGBDMM COc1c(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000479852578 502397535 /nfs/dbraw/zinc/39/75/35/502397535.db2.gz QPZCTOQMKAUCDB-UHFFFAOYSA-N -1 1 358.379 3.038 20 5 FGBDMM O=C(C[C@H]1C=CCC1)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000500874918 502883782 /nfs/dbraw/zinc/88/37/82/502883782.db2.gz UWWMOQCCAHTPTM-LBPRGKRZSA-N -1 1 354.366 3.470 20 5 FGBDMM CC(=O)c1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)ccc1F ZINC000507549063 503319710 /nfs/dbraw/zinc/31/97/10/503319710.db2.gz JZYPUFJGLMDJAC-UHFFFAOYSA-N -1 1 366.370 3.354 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000536700059 503686212 /nfs/dbraw/zinc/68/62/12/503686212.db2.gz OJZXEDPCOXOVIC-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c1 ZINC000542731581 504590782 /nfs/dbraw/zinc/59/07/82/504590782.db2.gz KZYYWCOPNFTTCZ-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000549240610 504735263 /nfs/dbraw/zinc/73/52/63/504735263.db2.gz CDMDRVCIJPSNAM-UHFFFAOYSA-N -1 1 368.349 3.342 20 5 FGBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@@H](C)CC(=O)[O-])cc1OC ZINC000565786531 504987521 /nfs/dbraw/zinc/98/75/21/504987521.db2.gz DLGZYFXWMGSISH-OLZOCXBDSA-N -1 1 368.430 3.323 20 5 FGBDMM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1CCOc1ccccc1[N+](=O)[O-] ZINC000566509492 505192540 /nfs/dbraw/zinc/19/25/40/505192540.db2.gz FPTBYJHCLXUOED-RDJZCZTQSA-N -1 1 356.378 3.264 20 5 FGBDMM CO[C@@H](C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-])C1CC1 ZINC000593947896 506841757 /nfs/dbraw/zinc/84/17/57/506841757.db2.gz CRHROMVSHVIFKS-WMZOPIPTSA-N -1 1 374.393 3.213 20 5 FGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]1C ZINC000600676511 507060757 /nfs/dbraw/zinc/06/07/57/507060757.db2.gz YUUHXBMRERZXNX-BTTYYORXSA-N -1 1 350.415 3.456 20 5 FGBDMM CC(C)CCc1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000597870657 507145362 /nfs/dbraw/zinc/14/53/62/507145362.db2.gz RLONSDJNEWCHEI-UHFFFAOYSA-N -1 1 364.383 3.016 20 5 FGBDMM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610265364 507167305 /nfs/dbraw/zinc/16/73/05/507167305.db2.gz FRSAVNKJVPVTFQ-GOEBONIOSA-N -1 1 366.826 3.257 20 5 FGBDMM COc1ccc([C@@H](NCc2cc([N+](=O)[O-])ccc2OC(C)C)C(=O)[O-])cc1 ZINC000737970712 599857107 /nfs/dbraw/zinc/85/71/07/599857107.db2.gz NTGHLWOUKKUMFR-GOSISDBHSA-N -1 1 374.393 3.306 20 5 FGBDMM C[C@@H](CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1)C(=O)[O-] ZINC000827456039 601312212 /nfs/dbraw/zinc/31/22/12/601312212.db2.gz QZXBOHBSDSMBTN-ZDUSSCGKSA-N -1 1 369.377 3.459 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccc(F)c(Cl)c1 ZINC000823629566 607163834 /nfs/dbraw/zinc/16/38/34/607163834.db2.gz ADJMIAOMJNTMJF-UHFFFAOYSA-N -1 1 352.738 3.114 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ccc(F)c(Cl)c1 ZINC000823629566 607163836 /nfs/dbraw/zinc/16/38/36/607163836.db2.gz ADJMIAOMJNTMJF-UHFFFAOYSA-N -1 1 352.738 3.114 20 5 FGBDMM Cc1cc([C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C2CC2)ccc1F ZINC000826262560 607968824 /nfs/dbraw/zinc/96/88/24/607968824.db2.gz RZYCKKMECGATNO-AWEZNQCLSA-N -1 1 369.360 3.181 20 5 FGBDMM Cc1cc([C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C2CC2)ccc1F ZINC000826262560 607968825 /nfs/dbraw/zinc/96/88/25/607968825.db2.gz RZYCKKMECGATNO-AWEZNQCLSA-N -1 1 369.360 3.181 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nc(C)nc(C)c1-c1nn[n-]n1 ZINC000826324396 609419377 /nfs/dbraw/zinc/41/93/77/609419377.db2.gz PEJQKUVSGLPZEC-SNVBAGLBSA-N -1 1 371.426 3.343 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2cccc2)c1 ZINC000110539109 700542305 /nfs/dbraw/zinc/54/23/05/700542305.db2.gz VGQQJDQTSILZOV-UHFFFAOYSA-N -1 1 357.391 3.495 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c(C)c1C ZINC000117227331 700601267 /nfs/dbraw/zinc/60/12/67/700601267.db2.gz SQUQAYUHUFYFND-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000122535695 700691716 /nfs/dbraw/zinc/69/17/16/700691716.db2.gz LQULFMDUCQYIKM-UHFFFAOYSA-N -1 1 370.789 3.355 20 5 FGBDMM COc1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1C ZINC000146993640 704893388 /nfs/dbraw/zinc/89/33/88/704893388.db2.gz LRWHKIAOHMJFPY-UHFFFAOYSA-N -1 1 370.814 3.044 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc2ccccc2o1 ZINC000216595591 713568383 /nfs/dbraw/zinc/56/83/83/713568383.db2.gz WOIPCKWILQGYCR-UHFFFAOYSA-N -1 1 366.782 3.473 20 5 FGBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000779665050 724421289 /nfs/dbraw/zinc/42/12/89/724421289.db2.gz QBRGQEQDYQKALC-MRVPVSSYSA-N -1 1 360.757 3.321 20 5 FGBDMM CCO[C@H](C)c1nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cs1 ZINC000780072436 724445274 /nfs/dbraw/zinc/44/52/74/724445274.db2.gz PYCCRTVBZYOAPE-SECBINFHSA-N -1 1 352.368 3.211 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1Cl ZINC000725815564 722423223 /nfs/dbraw/zinc/42/32/23/722423223.db2.gz HZIVMFQVWVKDMU-UHFFFAOYSA-N -1 1 361.206 3.380 20 5 FGBDMM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C)c1 ZINC000731216765 722474059 /nfs/dbraw/zinc/47/40/59/722474059.db2.gz QXEBIIYLVXJANE-CYBMUJFWSA-N -1 1 366.414 3.260 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000735503158 722516990 /nfs/dbraw/zinc/51/69/90/722516990.db2.gz LGQBFUBZYZLNDR-LLVKDONJSA-N -1 1 370.839 3.374 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000736342408 722522826 /nfs/dbraw/zinc/52/28/26/722522826.db2.gz QAVPCTDYXHDPQH-UHFFFAOYSA-N -1 1 370.789 3.355 20 5 FGBDMM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000742322785 722555371 /nfs/dbraw/zinc/55/53/71/722555371.db2.gz CUAPTXRFDMXJER-SNVBAGLBSA-N -1 1 372.830 3.449 20 5 FGBDMM O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)c([O-])c1 ZINC000750551216 722772301 /nfs/dbraw/zinc/77/23/01/722772301.db2.gz KBODUOAWOWWRAC-UHFFFAOYSA-N -1 1 352.140 3.420 20 5 FGBDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1O ZINC000762456670 723244955 /nfs/dbraw/zinc/24/49/55/723244955.db2.gz UNYQADSMKDGAGX-UHFFFAOYSA-N -1 1 356.787 3.371 20 5 FGBDMM Cc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798224048 723915537 /nfs/dbraw/zinc/91/55/37/723915537.db2.gz AXAYBAHXUSHTLH-UHFFFAOYSA-N -1 1 358.778 3.174 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)cc1Cl ZINC000809810457 725270062 /nfs/dbraw/zinc/27/00/62/725270062.db2.gz YUFUMICICKWXMO-ZWNOBZJWSA-N -1 1 370.789 3.222 20 5 FGBDMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809834635 725272111 /nfs/dbraw/zinc/27/21/11/725272111.db2.gz DDKZYLGMEHYAGF-JGVFFNPUSA-N -1 1 353.227 3.369 20 5 FGBDMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809834637 725272143 /nfs/dbraw/zinc/27/21/43/725272143.db2.gz DDKZYLGMEHYAGF-YUMQZZPRSA-N -1 1 353.227 3.369 20 5 FGBDMM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815029110 727022559 /nfs/dbraw/zinc/02/25/59/727022559.db2.gz NZJVJQKWRIAIDP-VIFPVBQESA-N -1 1 373.793 3.130 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCC2)O1 ZINC000848512256 731173459 /nfs/dbraw/zinc/17/34/59/731173459.db2.gz JHHNDLLLBLGBTL-GFCCVEGCSA-N -1 1 374.846 3.018 20 5 FGBDMM Cc1c(C(=O)[N-]c2nc(CC(C)C)ns2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000857317241 732120644 /nfs/dbraw/zinc/12/06/44/732120644.db2.gz RJFVHNKYVBIUKW-UHFFFAOYSA-N -1 1 365.371 3.114 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCSc1ccccc1 ZINC000918190284 758314551 /nfs/dbraw/zinc/31/45/51/758314551.db2.gz BZVFUQCESAYIFS-UHFFFAOYSA-N -1 1 370.427 3.195 20 5 FGBDMM O=C([O-])C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923227093 759086074 /nfs/dbraw/zinc/08/60/74/759086074.db2.gz KSSGYIXCPKJUDN-JTQLQIEISA-N -1 1 357.204 3.044 20 5 FGBDMM CC(C)(C)CN(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Br ZINC000923258772 759091763 /nfs/dbraw/zinc/09/17/63/759091763.db2.gz DZAXGHFAPPVHQA-UHFFFAOYSA-N -1 1 359.220 3.290 20 5 FGBDMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000032599893 493999066 /nfs/dbraw/zinc/99/90/66/493999066.db2.gz DBEMYQHMQZGRFW-UHFFFAOYSA-N -1 1 350.396 3.493 20 5 FGBDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000055616679 494374191 /nfs/dbraw/zinc/37/41/91/494374191.db2.gz TXBNCXOZXXOTFG-UHFFFAOYSA-N -1 1 363.395 3.053 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c1C ZINC000045774260 494460084 /nfs/dbraw/zinc/46/00/84/494460084.db2.gz XKLKGLNPEZIZDE-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000091054694 494519951 /nfs/dbraw/zinc/51/99/51/494519951.db2.gz XEXHEJDYYALVNE-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM Cc1c(C(=O)[N-]c2nnc(C(C)C)s2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000026570890 494832535 /nfs/dbraw/zinc/83/25/35/494832535.db2.gz YSJADSMULOUFIN-UHFFFAOYSA-N -1 1 351.344 3.039 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000126788505 494838756 /nfs/dbraw/zinc/83/87/56/494838756.db2.gz RVYAXNIEVRXGQA-UHFFFAOYSA-N -1 1 352.416 3.016 20 5 FGBDMM O=C([N-]c1nnc(C(F)F)s1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000127066381 494888633 /nfs/dbraw/zinc/88/86/33/494888633.db2.gz VYBWENIBAOUJMZ-UHFFFAOYSA-N -1 1 351.294 3.184 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3c(C)cc([N+](=O)[O-])cc3C)ccc12 ZINC000093909643 494933871 /nfs/dbraw/zinc/93/38/71/494933871.db2.gz WWQZYGXGELDRTL-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000125303023 495422685 /nfs/dbraw/zinc/42/26/85/495422685.db2.gz KALFKPSFSGPZKR-LLVKDONJSA-N -1 1 356.787 3.197 20 5 FGBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Br)c([O-])c1 ZINC000179484318 495608987 /nfs/dbraw/zinc/60/89/87/495608987.db2.gz KXMIVNYSMJRNCD-UHFFFAOYSA-N -1 1 365.183 3.335 20 5 FGBDMM CC(C)c1nnc(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[nH]1 ZINC000183461203 495994109 /nfs/dbraw/zinc/99/41/09/495994109.db2.gz XGDSHZZFDCAGSP-UHFFFAOYSA-N -1 1 367.365 3.461 20 5 FGBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(F)cc2[nH]cnc21 ZINC000181538067 496437234 /nfs/dbraw/zinc/43/72/34/496437234.db2.gz CTUMFTQHVGJNBU-UHFFFAOYSA-N -1 1 350.693 3.222 20 5 FGBDMM CCc1oc2ccccc2c1CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000184809819 496540845 /nfs/dbraw/zinc/54/08/45/496540845.db2.gz YVOBXPQLXHRNFC-UHFFFAOYSA-N -1 1 355.350 3.276 20 5 FGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc([C@@H]2CCCO2)n1 ZINC000165583005 496662539 /nfs/dbraw/zinc/66/25/39/496662539.db2.gz JQFGHDXBYBYVCM-LBPRGKRZSA-N -1 1 355.322 3.433 20 5 FGBDMM CCc1cc(=O)[n-]c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000188104765 496684508 /nfs/dbraw/zinc/68/45/08/496684508.db2.gz CGCJMRFLUFHWDY-SECBINFHSA-N -1 1 373.394 3.144 20 5 FGBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000189921550 497293750 /nfs/dbraw/zinc/29/37/50/497293750.db2.gz RCDJRDUWWRJMFR-VIFPVBQESA-N -1 1 369.299 3.248 20 5 FGBDMM O=C(N[C@@H](CC(F)(F)F)c1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193791644 497482868 /nfs/dbraw/zinc/48/28/68/497482868.db2.gz PMJXGXFTNUHNEE-NSHDSACASA-N -1 1 373.262 3.258 20 5 FGBDMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000364020301 499088647 /nfs/dbraw/zinc/08/86/47/499088647.db2.gz JOJLHGIPPKNOLX-UHFFFAOYSA-N -1 1 364.774 3.051 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000376603864 499622313 /nfs/dbraw/zinc/62/23/13/499622313.db2.gz HWNILIOQYSASPW-QDMKHBRRSA-N -1 1 353.378 3.246 20 5 FGBDMM O=C(Nc1cc(F)c(F)cc1N1CCCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000427409562 500390966 /nfs/dbraw/zinc/39/09/66/500390966.db2.gz ZXCYMJAJHCTUQG-UHFFFAOYSA-N -1 1 350.325 3.444 20 5 FGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC000431637678 500401389 /nfs/dbraw/zinc/40/13/89/500401389.db2.gz SWDBZHVCXLNZCF-ZDUSSCGKSA-N -1 1 356.350 3.188 20 5 FGBDMM Cc1c(Cl)cccc1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000432195441 500482302 /nfs/dbraw/zinc/48/23/02/500482302.db2.gz VPDHBVPVQKYVGG-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000437295982 500625633 /nfs/dbraw/zinc/62/56/33/500625633.db2.gz WBUUPWUQZIEGFZ-RKDXNWHRSA-N -1 1 372.390 3.303 20 5 FGBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC000444213349 500818714 /nfs/dbraw/zinc/81/87/14/500818714.db2.gz BQEKYNFXAREGPH-QWHCGFSZSA-N -1 1 372.491 3.085 20 5 FGBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1 ZINC000434974870 500918312 /nfs/dbraw/zinc/91/83/12/500918312.db2.gz WSOPSABYTPGXGZ-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCc1ccccc1F)C1CCCC1 ZINC000444969620 500927212 /nfs/dbraw/zinc/92/72/12/500927212.db2.gz XHPCHBAFMHIUSM-UHFFFAOYSA-N -1 1 373.384 3.462 20 5 FGBDMM O=C(NCCCc1cccc(C(F)(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445172442 500951661 /nfs/dbraw/zinc/95/16/61/500951661.db2.gz KKBATBOOYKNGLI-UHFFFAOYSA-N -1 1 369.299 3.077 20 5 FGBDMM Cc1cc(C)c(NC(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c(C)c1 ZINC000445353829 500976793 /nfs/dbraw/zinc/97/67/93/500976793.db2.gz VMNFCGMZPMTNIS-UHFFFAOYSA-N -1 1 355.354 3.079 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440136440 500980070 /nfs/dbraw/zinc/98/00/70/500980070.db2.gz PSAKGXVDVKZEII-HXUWFJFHSA-N -1 1 367.405 3.206 20 5 FGBDMM CC(C)CCOc1ccccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000481501511 501792557 /nfs/dbraw/zinc/79/25/57/501792557.db2.gz JZSHIAOPTDAKQM-UHFFFAOYSA-N -1 1 359.382 3.050 20 5 FGBDMM O=C(Nc1ccc(OCc2ccccn2)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000472177930 502260280 /nfs/dbraw/zinc/26/02/80/502260280.db2.gz JMOYYPWBPKFAJR-UHFFFAOYSA-N -1 1 356.313 3.288 20 5 FGBDMM Cc1nc(-c2ccc(N(C)Cc3ccccc3[N+](=O)[O-])nc2)[n-]c(=O)c1C ZINC000462386610 502417033 /nfs/dbraw/zinc/41/70/33/502417033.db2.gz GFRFCVFKZWWHNS-UHFFFAOYSA-N -1 1 365.393 3.406 20 5 FGBDMM Cc1cc(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)cc([N+](=O)[O-])c1 ZINC000473655129 502668854 /nfs/dbraw/zinc/66/88/54/502668854.db2.gz WAXYEDKJVKYAJZ-UHFFFAOYSA-N -1 1 358.304 3.246 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000493104605 503406711 /nfs/dbraw/zinc/40/67/11/503406711.db2.gz JTOLAWOSMCXALJ-UHFFFAOYSA-N -1 1 366.443 3.324 20 5 FGBDMM O=C(NCCCc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000512934127 503660234 /nfs/dbraw/zinc/66/02/34/503660234.db2.gz PJUMOXKSHZVGNY-UHFFFAOYSA-N -1 1 369.299 3.077 20 5 FGBDMM O=C([O-])CCC1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000517576236 503776434 /nfs/dbraw/zinc/77/64/34/503776434.db2.gz MVKWUHTZILBGCT-UHFFFAOYSA-N -1 1 359.382 3.327 20 5 FGBDMM Cc1nc2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3[N+](=O)[O-])cc2[nH]1 ZINC000533950477 503999989 /nfs/dbraw/zinc/99/99/89/503999989.db2.gz WAVPDJUQZLEJNY-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000544600131 504187718 /nfs/dbraw/zinc/18/77/18/504187718.db2.gz BCHLJFVAAKSLIM-UHFFFAOYSA-N -1 1 352.437 3.055 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(SCC)s2)c1 ZINC000554882340 505288853 /nfs/dbraw/zinc/28/88/53/505288853.db2.gz UCEHAOQSYFNZLO-UHFFFAOYSA-N -1 1 354.413 3.209 20 5 FGBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ccc(Cl)cc3)c2)n1 ZINC000561305042 505309914 /nfs/dbraw/zinc/30/99/14/505309914.db2.gz PIGWZFREDGJJAJ-UHFFFAOYSA-N -1 1 373.756 3.359 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)s1 ZINC000567201689 505393508 /nfs/dbraw/zinc/39/35/08/505393508.db2.gz HQYBVPCDXNSXHA-SSDOTTSWSA-N -1 1 364.857 3.337 20 5 FGBDMM CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000609041097 506766787 /nfs/dbraw/zinc/76/67/87/506766787.db2.gz CLRISAWGEUXZEX-ZDUSSCGKSA-N -1 1 354.453 3.346 20 5 FGBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCc2ccc(Cl)cc21 ZINC000593900195 506826439 /nfs/dbraw/zinc/82/64/39/506826439.db2.gz LEEGTAKEXPSJGN-SNVBAGLBSA-N -1 1 361.785 3.151 20 5 FGBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000609767408 506994061 /nfs/dbraw/zinc/99/40/61/506994061.db2.gz FJTIHWSHEWKXNB-UHFFFAOYSA-N -1 1 354.453 3.204 20 5 FGBDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc(Cl)c2O1 ZINC000609871783 507032541 /nfs/dbraw/zinc/03/25/41/507032541.db2.gz MDYIKBHRXQIRAI-SECBINFHSA-N -1 1 368.798 3.372 20 5 FGBDMM O=[N+]([O-])c1ccc(CCCC[N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000610086289 507095980 /nfs/dbraw/zinc/09/59/80/507095980.db2.gz WIFPHAQKFMHXSY-UHFFFAOYSA-N -1 1 370.377 3.174 20 5 FGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000597779305 507098778 /nfs/dbraw/zinc/09/87/78/507098778.db2.gz LBBUUDPEJUKTEF-JKSUJKDBSA-N -1 1 355.394 3.494 20 5 FGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2c(O)cccc2F)cc1[N+](=O)[O-] ZINC000610254168 507163713 /nfs/dbraw/zinc/16/37/13/507163713.db2.gz DRKTWRXWEOXWGN-UHFFFAOYSA-N -1 1 360.750 3.202 20 5 FGBDMM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000591328564 507204225 /nfs/dbraw/zinc/20/42/25/507204225.db2.gz ILINVWFGFBVQHN-SNVBAGLBSA-N -1 1 374.287 3.080 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)c(C)c1[N+](=O)[O-] ZINC000598710399 507562523 /nfs/dbraw/zinc/56/25/23/507562523.db2.gz BWQRWDMNKHTJEC-UHFFFAOYSA-N -1 1 364.379 3.050 20 5 FGBDMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000533877054 562520444 /nfs/dbraw/zinc/52/04/44/562520444.db2.gz YTCDPZCCLUAYOW-UHFFFAOYSA-N -1 1 365.758 3.053 20 5 FGBDMM O=[N+]([O-])c1cnc(Oc2cc(Cl)ccc2Cl)c(-c2nnn[n-]2)c1 ZINC000823651755 599103823 /nfs/dbraw/zinc/10/38/23/599103823.db2.gz OXYCPEPEPRWYON-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM O=[N+]([O-])c1cnc(Oc2cc(Cl)ccc2Cl)c(-c2nn[n-]n2)c1 ZINC000823651755 599103824 /nfs/dbraw/zinc/10/38/24/599103824.db2.gz OXYCPEPEPRWYON-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM O=C([O-])C[C@@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000821517334 598151636 /nfs/dbraw/zinc/15/16/36/598151636.db2.gz ZNPPECVOTXCOEG-JTQLQIEISA-N -1 1 357.204 3.044 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc(Cl)c1Cl ZINC000823625426 606704209 /nfs/dbraw/zinc/70/42/09/606704209.db2.gz UVJNGCQPVBNFMX-UHFFFAOYSA-N -1 1 366.168 3.089 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc(Cl)c1Cl ZINC000823625426 606704211 /nfs/dbraw/zinc/70/42/11/606704211.db2.gz UVJNGCQPVBNFMX-UHFFFAOYSA-N -1 1 366.168 3.089 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1S[C@H]1CCCc2ccccc21 ZINC000823630097 606720637 /nfs/dbraw/zinc/72/06/37/606720637.db2.gz RGGIDKOPOISPIC-ZDUSSCGKSA-N -1 1 354.395 3.340 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1S[C@H]1CCCc2ccccc21 ZINC000823630097 606720639 /nfs/dbraw/zinc/72/06/39/606720639.db2.gz RGGIDKOPOISPIC-ZDUSSCGKSA-N -1 1 354.395 3.340 20 5 FGBDMM O=C(Nc1cc(Br)ccc1[O-])c1cc(F)ccc1[N+](=O)[O-] ZINC000179654116 705709287 /nfs/dbraw/zinc/70/92/87/705709287.db2.gz QFEJAUPRSDPSHG-UHFFFAOYSA-N -1 1 355.119 3.454 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc1C ZINC000526997468 714419367 /nfs/dbraw/zinc/41/93/67/714419367.db2.gz CMBXHPBXZMRJQS-UHFFFAOYSA-N -1 1 354.359 3.242 20 5 FGBDMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000781695191 724587777 /nfs/dbraw/zinc/58/77/77/724587777.db2.gz ONPBLNXFOYUZDZ-UHFFFAOYSA-N -1 1 364.774 3.051 20 5 FGBDMM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725827116 722424193 /nfs/dbraw/zinc/42/41/93/722424193.db2.gz MGNWROAAOWAEOV-VIFPVBQESA-N -1 1 360.844 3.219 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000742318970 722555271 /nfs/dbraw/zinc/55/52/71/722555271.db2.gz LREYCLOZZDQXKW-DMDPSCGWSA-N -1 1 358.847 3.495 20 5 FGBDMM CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]n1 ZINC000743046683 722563469 /nfs/dbraw/zinc/56/34/69/722563469.db2.gz KFDSJRJXAWTEFP-UHFFFAOYSA-N -1 1 358.807 3.070 20 5 FGBDMM O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1c([O-])cc(F)cc1F ZINC000749277424 722722766 /nfs/dbraw/zinc/72/27/66/722722766.db2.gz COAYIEOMOYNYLY-UHFFFAOYSA-N -1 1 353.277 3.205 20 5 FGBDMM C[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000755315036 722952288 /nfs/dbraw/zinc/95/22/88/722952288.db2.gz GCPNHLCJIAFPGY-QMMMGPOBSA-N -1 1 360.757 3.321 20 5 FGBDMM CC(C)N(CCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1)CC(F)(F)F ZINC000792034611 723305225 /nfs/dbraw/zinc/30/52/25/723305225.db2.gz LMJSLUZYMOVJSX-UHFFFAOYSA-N -1 1 364.320 3.120 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000768866183 723670229 /nfs/dbraw/zinc/67/02/29/723670229.db2.gz QEHWDFJWAWPYIJ-UHFFFAOYSA-N -1 1 356.787 3.448 20 5 FGBDMM CCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c([O-])c1 ZINC000770866704 723722246 /nfs/dbraw/zinc/72/22/46/723722246.db2.gz HQYRHQLHCGINOG-UHFFFAOYSA-N -1 1 364.741 3.383 20 5 FGBDMM O=C(CSc1ccc(Cl)cc1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000797762310 723858668 /nfs/dbraw/zinc/85/86/68/723858668.db2.gz WQCJNRXENRNMQQ-UHFFFAOYSA-N -1 1 350.783 3.297 20 5 FGBDMM C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809815491 725270472 /nfs/dbraw/zinc/27/04/72/725270472.db2.gz ITXZJPLLPPCAPB-OIBJUYFYSA-N -1 1 353.227 3.369 20 5 FGBDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809834634 725272157 /nfs/dbraw/zinc/27/21/57/725272157.db2.gz DDKZYLGMEHYAGF-HTQZYQBOSA-N -1 1 353.227 3.369 20 5 FGBDMM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1c([O-])cccc1Cl ZINC000811566168 725373645 /nfs/dbraw/zinc/37/36/45/725373645.db2.gz GGDIYHILRPJZCJ-UHFFFAOYSA-N -1 1 359.769 3.408 20 5 FGBDMM CSCCCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036502 727024209 /nfs/dbraw/zinc/02/42/09/727024209.db2.gz MNKCMDJNPICVSY-UHFFFAOYSA-N -1 1 370.855 3.199 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)c(C)cc1[N+](=O)[O-] ZINC000840945893 730195072 /nfs/dbraw/zinc/19/50/72/730195072.db2.gz ZWJUZVHIUZSEKL-UHFFFAOYSA-N -1 1 363.439 3.387 20 5 FGBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CS1 ZINC000841559515 730256156 /nfs/dbraw/zinc/25/61/56/730256156.db2.gz MDRYQIGECUQWLB-RNFRBKRXSA-N -1 1 371.267 3.074 20 5 FGBDMM CC[C@@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000848583338 731185528 /nfs/dbraw/zinc/18/55/28/731185528.db2.gz BJPWSUAGPJAREY-LLVKDONJSA-N -1 1 357.338 3.290 20 5 FGBDMM CCc1nc(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000849921054 731297328 /nfs/dbraw/zinc/29/73/28/731297328.db2.gz FDLDNOQFUNQGQA-UHFFFAOYSA-N -1 1 350.356 3.162 20 5 FGBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852759558 731631173 /nfs/dbraw/zinc/63/11/73/731631173.db2.gz RCZSGHJSIKSYLY-SUNKGSAMSA-N -1 1 359.348 3.045 20 5 FGBDMM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2nc(CC(C)C)ns2)cc1[N+](=O)[O-] ZINC000855707967 731948345 /nfs/dbraw/zinc/94/83/45/731948345.db2.gz WRSDOGLSISEDGC-UHFFFAOYSA-N -1 1 365.371 3.114 20 5 FGBDMM O=C([N-]c1nc(C2CCOCC2)ns1)c1cccc([N+](=O)[O-])c1Cl ZINC000863263971 732934389 /nfs/dbraw/zinc/93/43/89/732934389.db2.gz AKFINAAVIWTCPC-UHFFFAOYSA-N -1 1 368.802 3.246 20 5 FGBDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000914845732 757850497 /nfs/dbraw/zinc/85/04/97/757850497.db2.gz LVWWXYGYSDCKMW-UHFFFAOYSA-N -1 1 370.814 3.238 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cc2ccccc2s1 ZINC000920420498 758551930 /nfs/dbraw/zinc/55/19/30/758551930.db2.gz YQJBRGHVCOTJHG-UHFFFAOYSA-N -1 1 366.395 3.427 20 5 FGBDMM CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000029406607 493837335 /nfs/dbraw/zinc/83/73/35/493837335.db2.gz NBRVBUIZCBIPNH-UHFFFAOYSA-N -1 1 363.395 3.053 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000055663432 494385440 /nfs/dbraw/zinc/38/54/40/494385440.db2.gz HLMGCHORUYRBAJ-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000055676928 494386602 /nfs/dbraw/zinc/38/66/02/494386602.db2.gz JODWJXJPXSPMOT-UHFFFAOYSA-N -1 1 369.786 3.007 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091010529 494510066 /nfs/dbraw/zinc/51/00/66/494510066.db2.gz UXBTXAOPYUTQOB-UHFFFAOYSA-N -1 1 350.396 3.491 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cc1 ZINC000127291621 494923065 /nfs/dbraw/zinc/92/30/65/494923065.db2.gz PJYSGOCGTMRLDE-UHFFFAOYSA-N -1 1 365.386 3.135 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000147226374 495572997 /nfs/dbraw/zinc/57/29/97/495572997.db2.gz HSAXMPDYZBAXCP-AAEUAGOBSA-N -1 1 352.799 3.083 20 5 FGBDMM O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000185532752 495612695 /nfs/dbraw/zinc/61/26/95/495612695.db2.gz JRSMGATWJOESLF-MRXNPFEDSA-N -1 1 368.349 3.281 20 5 FGBDMM O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185831022 495742048 /nfs/dbraw/zinc/74/20/48/495742048.db2.gz BHZDUTGWQUOLKT-KRWDZBQOSA-N -1 1 367.336 3.354 20 5 FGBDMM CSCCCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185976998 495806074 /nfs/dbraw/zinc/80/60/74/495806074.db2.gz HZSFNJJSKWLEJE-UHFFFAOYSA-N -1 1 352.865 3.060 20 5 FGBDMM O=C([N-]c1nnc(C(F)F)s1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180957300 496219010 /nfs/dbraw/zinc/21/90/10/496219010.db2.gz AGYVMEIJTGATFJ-UHFFFAOYSA-N -1 1 366.252 3.238 20 5 FGBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000187162854 496320931 /nfs/dbraw/zinc/32/09/31/496320931.db2.gz NCJKSFAKKHOZHB-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[nH]c2c1 ZINC000164624872 496622883 /nfs/dbraw/zinc/62/28/83/496622883.db2.gz KBDGKHSLZFSDBN-OAHLLOKOSA-N -1 1 366.377 3.462 20 5 FGBDMM COc1ccc([C@H]2CCCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000188094637 496681355 /nfs/dbraw/zinc/68/13/55/496681355.db2.gz NAZNGJCEMNWBNG-MRXNPFEDSA-N -1 1 371.393 3.462 20 5 FGBDMM COCCc1ccccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000191887066 496921069 /nfs/dbraw/zinc/92/10/69/496921069.db2.gz PVAFXOVLNWJYJR-UHFFFAOYSA-N -1 1 364.423 3.201 20 5 FGBDMM O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193363897 497362561 /nfs/dbraw/zinc/36/25/61/497362561.db2.gz OSSQYYUVPSXKEI-LLVKDONJSA-N -1 1 365.798 3.316 20 5 FGBDMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000364621389 498055116 /nfs/dbraw/zinc/05/51/16/498055116.db2.gz HXRDQWJPLIZLMN-UHFFFAOYSA-N -1 1 364.774 3.051 20 5 FGBDMM O=C([O-])[C@H]1CC12CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC2 ZINC000572533030 505991178 /nfs/dbraw/zinc/99/11/78/505991178.db2.gz PDVQKAILOURGSQ-CYBMUJFWSA-N -1 1 358.316 3.300 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000365262231 498379082 /nfs/dbraw/zinc/37/90/82/498379082.db2.gz FREPZEDHQSOCSW-UHFFFAOYSA-N -1 1 362.392 3.436 20 5 FGBDMM C[C@@H](C(=O)N=c1cc(-c2cccc(F)c2F)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000581703912 506047965 /nfs/dbraw/zinc/04/79/65/506047965.db2.gz WJOLKEXFFWMOED-SNVBAGLBSA-N -1 1 372.331 3.427 20 5 FGBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc([N+](=O)[O-])cc2Cl)[n-]c1=O ZINC000432700090 500549887 /nfs/dbraw/zinc/54/98/87/500549887.db2.gz QEVQRYQSENEQBO-TWGQIWQCSA-N -1 1 363.757 3.481 20 5 FGBDMM CC(=O)Nc1ccc([O-])c(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c1 ZINC000436946190 500576853 /nfs/dbraw/zinc/57/68/53/500576853.db2.gz AAGNTZGMMFLHCG-UHFFFAOYSA-N -1 1 368.349 3.208 20 5 FGBDMM CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1F ZINC000443460903 500727377 /nfs/dbraw/zinc/72/73/77/500727377.db2.gz BKOCJDRKBUUJLJ-UHFFFAOYSA-N -1 1 354.359 3.106 20 5 FGBDMM CCOCc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000438714616 500814967 /nfs/dbraw/zinc/81/49/67/500814967.db2.gz FLKNDTLCNLKMAS-UHFFFAOYSA-N -1 1 350.396 3.241 20 5 FGBDMM O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000444861771 500912835 /nfs/dbraw/zinc/91/28/35/500912835.db2.gz UPADRTKNMAYKFZ-UHFFFAOYSA-N -1 1 373.294 3.071 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000434965546 500917029 /nfs/dbraw/zinc/91/70/29/500917029.db2.gz FZOKUWJZXLDADE-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444959555 500925538 /nfs/dbraw/zinc/92/55/38/500925538.db2.gz NGWATMZIYBJNSQ-JKSUJKDBSA-N -1 1 355.394 3.412 20 5 FGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000445013675 500932780 /nfs/dbraw/zinc/93/27/80/500932780.db2.gz VJQLLYQNAAKKJM-MRVPVSSYSA-N -1 1 355.272 3.205 20 5 FGBDMM O=[N+]([O-])c1cccc(-n2ccc(-c3nc(-c4ccc([O-])cc4F)no3)n2)c1 ZINC000445461471 500989737 /nfs/dbraw/zinc/98/97/37/500989737.db2.gz XAZHYTQINXUCLN-UHFFFAOYSA-N -1 1 367.296 3.342 20 5 FGBDMM COc1ccc(C(C)(C)c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1OC ZINC000445692075 501020452 /nfs/dbraw/zinc/02/04/52/501020452.db2.gz TZVQLYWVMQKQKO-UHFFFAOYSA-N -1 1 358.354 3.316 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000451065383 501242911 /nfs/dbraw/zinc/24/29/11/501242911.db2.gz VFDMGOUIHPVMKK-CQSZACIVSA-N -1 1 362.407 3.208 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)c1C ZINC000474423350 501831364 /nfs/dbraw/zinc/83/13/64/501831364.db2.gz ZHBJBSJNMNKZDA-UHFFFAOYSA-N -1 1 366.443 3.324 20 5 FGBDMM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464421650 501985301 /nfs/dbraw/zinc/98/53/01/501985301.db2.gz RXIOZNHHFSNULC-UHFFFAOYSA-N -1 1 361.354 3.391 20 5 FGBDMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000471926562 502173604 /nfs/dbraw/zinc/17/36/04/502173604.db2.gz FJWDVMDELIHZBS-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)OCO2 ZINC000479272484 502212317 /nfs/dbraw/zinc/21/23/17/502212317.db2.gz RDFDGPCNEQTHCM-UHFFFAOYSA-N -1 1 364.379 3.050 20 5 FGBDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1[N+](=O)[O-] ZINC000487082546 502351915 /nfs/dbraw/zinc/35/19/15/502351915.db2.gz DJFMYASWZDYOBA-SECBINFHSA-N -1 1 374.340 3.360 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3cccc(F)c3)C2)s1 ZINC000481261684 502799238 /nfs/dbraw/zinc/79/92/38/502799238.db2.gz PQKCJVWRLLTYHM-DGCLKSJQSA-N -1 1 370.427 3.410 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1[N+](=O)[O-] ZINC000497959116 503074262 /nfs/dbraw/zinc/07/42/62/503074262.db2.gz MWFPLMPEZYPTGI-UHFFFAOYSA-N -1 1 362.407 3.493 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)[n-]1 ZINC000544063432 503992547 /nfs/dbraw/zinc/99/25/47/503992547.db2.gz YCBWERYGXDPDGM-UHFFFAOYSA-N -1 1 350.294 3.222 20 5 FGBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000537752287 504027762 /nfs/dbraw/zinc/02/77/62/504027762.db2.gz LDWDTCWKHYSTIH-UHFFFAOYSA-N -1 1 366.733 3.018 20 5 FGBDMM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(F)ccc2[O-])cc1OC ZINC000534701230 504217827 /nfs/dbraw/zinc/21/78/27/504217827.db2.gz MJEXDQXRNFPDDV-UHFFFAOYSA-N -1 1 350.302 3.099 20 5 FGBDMM CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000542753556 504596592 /nfs/dbraw/zinc/59/65/92/504596592.db2.gz GYXGINGFYOIRDN-LLVKDONJSA-N -1 1 354.350 3.240 20 5 FGBDMM C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C(=O)[O-] ZINC000521043815 504636506 /nfs/dbraw/zinc/63/65/06/504636506.db2.gz KQHWYQXQARIIAB-ABAIWWIYSA-N -1 1 361.423 3.261 20 5 FGBDMM Cc1cc(N2CCC(c3n[n-]c(=O)o3)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000549177380 504713683 /nfs/dbraw/zinc/71/36/83/504713683.db2.gz HOOITVJHWXXLMC-UHFFFAOYSA-N -1 1 372.303 3.395 20 5 FGBDMM Cc1cc(N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000565815172 504995577 /nfs/dbraw/zinc/99/55/77/504995577.db2.gz YATOUFOYZKBFSM-OAHLLOKOSA-N -1 1 369.299 3.295 20 5 FGBDMM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000561724564 505419021 /nfs/dbraw/zinc/41/90/21/505419021.db2.gz MSCLOTOULUUSLY-BJOHPYRUSA-N -1 1 368.798 3.049 20 5 FGBDMM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000561724567 505419036 /nfs/dbraw/zinc/41/90/36/505419036.db2.gz MSCLOTOULUUSLY-RFAUZJTJSA-N -1 1 368.798 3.049 20 5 FGBDMM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000567645044 505523668 /nfs/dbraw/zinc/52/36/68/505523668.db2.gz ZYGWXXGJWCDSST-VFZGTOFNSA-N -1 1 368.798 3.049 20 5 FGBDMM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000599446488 506460014 /nfs/dbraw/zinc/46/00/14/506460014.db2.gz VNDMYXLMUOQLEN-UHFFFAOYSA-N -1 1 354.350 3.084 20 5 FGBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000590565870 506861473 /nfs/dbraw/zinc/86/14/73/506861473.db2.gz RRGCQYAORUUMEH-GHMZBOCLSA-N -1 1 373.413 3.067 20 5 FGBDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc(Cl)c2O1 ZINC000609871785 507032279 /nfs/dbraw/zinc/03/22/79/507032279.db2.gz MDYIKBHRXQIRAI-VIFPVBQESA-N -1 1 368.798 3.372 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CC2)s1 ZINC000610087045 507095098 /nfs/dbraw/zinc/09/50/98/507095098.db2.gz MBYGGXFVMYFSIT-UHFFFAOYSA-N -1 1 372.855 3.320 20 5 FGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000610259578 507165373 /nfs/dbraw/zinc/16/53/73/507165373.db2.gz IIBUYLUKYBLRKU-CQSZACIVSA-N -1 1 367.814 3.073 20 5 FGBDMM COc1ccc([C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000832253186 601115320 /nfs/dbraw/zinc/11/53/20/601115320.db2.gz VWYVGPDKBLGQFS-HNNXBMFYSA-N -1 1 350.758 3.172 20 5 FGBDMM Cc1cnc([C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000822389187 606645661 /nfs/dbraw/zinc/64/56/61/606645661.db2.gz OBORWLVIBSOKEL-CYBMUJFWSA-N -1 1 357.399 3.103 20 5 FGBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000820461638 606700754 /nfs/dbraw/zinc/70/07/54/606700754.db2.gz OHVVBTCBAWHKHV-ZETCQYMHSA-N -1 1 363.740 3.136 20 5 FGBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000820461638 606700755 /nfs/dbraw/zinc/70/07/55/606700755.db2.gz OHVVBTCBAWHKHV-ZETCQYMHSA-N -1 1 363.740 3.136 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1S[C@@H]1CCCc2ccccc21 ZINC000823630096 606720651 /nfs/dbraw/zinc/72/06/51/606720651.db2.gz RGGIDKOPOISPIC-CYBMUJFWSA-N -1 1 354.395 3.340 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1S[C@@H]1CCCc2ccccc21 ZINC000823630096 606720653 /nfs/dbraw/zinc/72/06/53/606720653.db2.gz RGGIDKOPOISPIC-CYBMUJFWSA-N -1 1 354.395 3.340 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1Oc1snc(Cl)c1-c1nn[n-]n1 ZINC000826498433 608179758 /nfs/dbraw/zinc/17/97/58/608179758.db2.gz UOPHLLGLBHNHJS-UHFFFAOYSA-N -1 1 359.154 3.331 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1F ZINC000045947294 695829135 /nfs/dbraw/zinc/82/91/35/695829135.db2.gz VFAHHOBFWSSXLM-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1F ZINC000126179486 700744779 /nfs/dbraw/zinc/74/47/79/700744779.db2.gz SLVOMALQSKHAPC-UHFFFAOYSA-N -1 1 364.276 3.260 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1F ZINC000130001100 700794540 /nfs/dbraw/zinc/79/45/40/700794540.db2.gz FDTOIHXXMOYMFI-UHFFFAOYSA-N -1 1 372.349 3.381 20 5 FGBDMM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000174071961 705485409 /nfs/dbraw/zinc/48/54/09/705485409.db2.gz UWNQNHPEVZDVNJ-VIFPVBQESA-N -1 1 352.865 3.058 20 5 FGBDMM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000194547356 713525508 /nfs/dbraw/zinc/52/55/08/713525508.db2.gz KUSOSYDJSZQEBI-LLVKDONJSA-N -1 1 368.386 3.172 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c(C)c1 ZINC000194726908 713532165 /nfs/dbraw/zinc/53/21/65/713532165.db2.gz FSGBZZSPWVOFPV-UHFFFAOYSA-N -1 1 354.359 3.242 20 5 FGBDMM C[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1c(F)cncc1F ZINC000804825979 724554479 /nfs/dbraw/zinc/55/44/79/724554479.db2.gz LEEKBXNNRUFIIF-QMMMGPOBSA-N -1 1 357.263 3.237 20 5 FGBDMM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000748657423 722700611 /nfs/dbraw/zinc/70/06/11/722700611.db2.gz TXYUMTXTUPSCOQ-JQWIXIFHSA-N -1 1 364.876 3.201 20 5 FGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnn(-c2ccc(Cl)cc2)n1 ZINC000752754422 722869992 /nfs/dbraw/zinc/86/99/92/722869992.db2.gz RSXMYDOJFJNDDF-UHFFFAOYSA-N -1 1 361.720 3.220 20 5 FGBDMM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1nc(Cl)ccc1F ZINC000759778823 723020484 /nfs/dbraw/zinc/02/04/84/723020484.db2.gz HNXGHKGXOFSHSB-UHFFFAOYSA-N -1 1 367.720 3.196 20 5 FGBDMM C[C@@H]1CCc2c(F)cccc2[C@@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768852588 723669606 /nfs/dbraw/zinc/66/96/06/723669606.db2.gz HWTGLSWIBGHCNL-RFAUZJTJSA-N -1 1 370.427 3.397 20 5 FGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1F ZINC000775251088 723973766 /nfs/dbraw/zinc/97/37/66/723973766.db2.gz GWORWRRRWKHHCM-UHFFFAOYSA-N -1 1 353.356 3.144 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CC=CCC2)c(Cl)cc1Cl ZINC000809818716 725270770 /nfs/dbraw/zinc/27/07/70/725270770.db2.gz OZHGZOTXFVBBGD-QMMMGPOBSA-N -1 1 351.211 3.289 20 5 FGBDMM CSC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809822470 725271143 /nfs/dbraw/zinc/27/11/43/725271143.db2.gz LLCAMLJWTGVXOF-UHFFFAOYSA-N -1 1 373.283 3.322 20 5 FGBDMM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000813258579 726856303 /nfs/dbraw/zinc/85/63/03/726856303.db2.gz NZZONCTTWJJSJM-UHFFFAOYSA-N -1 1 352.137 3.197 20 5 FGBDMM C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000821613296 729101803 /nfs/dbraw/zinc/10/18/03/729101803.db2.gz HGTDACMYOGNNCV-UHFFFAOYSA-N -1 1 358.789 3.060 20 5 FGBDMM CC(C)(F)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000849457403 731261717 /nfs/dbraw/zinc/26/17/17/731261717.db2.gz SFNQLURYVZRQSN-UHFFFAOYSA-N -1 1 359.206 3.318 20 5 FGBDMM O=C([O-])c1cnc([C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)s1 ZINC000905747576 744051504 /nfs/dbraw/zinc/05/15/04/744051504.db2.gz BBUMJWOLLCFWJX-JTQLQIEISA-N -1 1 367.814 3.392 20 5 FGBDMM CN(C)[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ccsc1 ZINC000914571084 757801840 /nfs/dbraw/zinc/80/18/40/757801840.db2.gz KNECGPNWIZOIJT-MQDFFIGUSA-N -1 1 361.423 3.469 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCSC[C@@H]1c1ccccc1 ZINC000921639507 758761478 /nfs/dbraw/zinc/76/14/78/758761478.db2.gz COINCDINMPLQHC-OAHLLOKOSA-N -1 1 359.407 3.016 20 5 FGBDMM Cc1cccc(CN2CCN(c3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])CC2)c1 ZINC000567980548 505589516 /nfs/dbraw/zinc/58/95/16/505589516.db2.gz DHXDJVVEILOWOD-UHFFFAOYSA-N -1 1 369.421 3.232 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000032086174 493974173 /nfs/dbraw/zinc/97/41/73/493974173.db2.gz PPJPFDFFMWIKJX-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCSc2ccccc2)s1 ZINC000064242170 494108136 /nfs/dbraw/zinc/10/81/36/494108136.db2.gz HAHDFDDZXPFECV-UHFFFAOYSA-N -1 1 358.466 3.117 20 5 FGBDMM CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000053670801 494156597 /nfs/dbraw/zinc/15/65/97/494156597.db2.gz QVTOUSQKUIDQKD-UHFFFAOYSA-N -1 1 370.814 3.125 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000568637176 505741759 /nfs/dbraw/zinc/74/17/59/505741759.db2.gz JLVHHYHNNNQYQP-UHFFFAOYSA-N -1 1 373.384 3.144 20 5 FGBDMM O=C(Nc1ccc(Cl)cc1[O-])c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000122172297 494935525 /nfs/dbraw/zinc/93/55/25/494935525.db2.gz CUWZVORBBFEZHY-UHFFFAOYSA-N -1 1 358.741 3.392 20 5 FGBDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000093930652 494936513 /nfs/dbraw/zinc/93/65/13/494936513.db2.gz LVQNNSVBLJAFFI-UHFFFAOYSA-N -1 1 363.395 3.053 20 5 FGBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(-c2cccnc2)cc1 ZINC000128327885 495080239 /nfs/dbraw/zinc/08/02/39/495080239.db2.gz ODORWTSUDHTDRH-LBPRGKRZSA-N -1 1 364.361 3.248 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c1C ZINC000125543182 495460851 /nfs/dbraw/zinc/46/08/51/495460851.db2.gz FSRNHNPCQFBLNP-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM CCOc1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000577760649 505787703 /nfs/dbraw/zinc/78/77/03/505787703.db2.gz LVZNJQJMRYAQIO-KRWDZBQOSA-N -1 1 356.378 3.005 20 5 FGBDMM COc1ccc(-c2nnc([N-]C(=O)c3csc([N+](=O)[O-])c3)s2)cc1 ZINC000179398060 495576008 /nfs/dbraw/zinc/57/60/08/495576008.db2.gz OTAVWBAWFWYSHI-UHFFFAOYSA-N -1 1 362.392 3.436 20 5 FGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000182542437 495607211 /nfs/dbraw/zinc/60/72/11/495607211.db2.gz XGYXMOOZFXXAPI-UHFFFAOYSA-N -1 1 358.322 3.040 20 5 FGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(-c2cccnc2)cc1 ZINC000187162089 496319713 /nfs/dbraw/zinc/31/97/13/496319713.db2.gz SEZJCVFHZJTCPT-GFCCVEGCSA-N -1 1 364.361 3.248 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1CCCc1ccccc1 ZINC000193732200 497462679 /nfs/dbraw/zinc/46/26/79/497462679.db2.gz ATUHQJBYLAZKJA-MRXNPFEDSA-N -1 1 355.394 3.323 20 5 FGBDMM COc1cc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)ccc1F ZINC000191003356 497679414 /nfs/dbraw/zinc/67/94/14/497679414.db2.gz YZZWEKGYSQWOHC-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM Cc1ccc(C[C@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000569709477 505999067 /nfs/dbraw/zinc/99/90/67/505999067.db2.gz SZCRTUBATULTEN-OAHLLOKOSA-N -1 1 355.394 3.099 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000285960640 498253239 /nfs/dbraw/zinc/25/32/39/498253239.db2.gz AOGUINHNXQTGKI-XHSDSOJGSA-N -1 1 353.378 3.104 20 5 FGBDMM O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299127270 498973029 /nfs/dbraw/zinc/97/30/29/498973029.db2.gz ITPVBPZSYLYKLM-UHFFFAOYSA-N -1 1 356.382 3.238 20 5 FGBDMM CC(C)(C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000426201038 500246314 /nfs/dbraw/zinc/24/63/14/500246314.db2.gz LHFLAIWCGYVWIC-UHFFFAOYSA-N -1 1 356.407 3.385 20 5 FGBDMM CC(C)(C)c1nc(CN[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cs1 ZINC000426793870 500321322 /nfs/dbraw/zinc/32/13/22/500321322.db2.gz PMICWJUWCLVKMQ-AWEZNQCLSA-N -1 1 363.439 3.134 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1c(F)cc(C(C)=O)cc1F ZINC000427391823 500388761 /nfs/dbraw/zinc/38/87/61/500388761.db2.gz SFEOFYFHBUNHHW-UHFFFAOYSA-N -1 1 350.277 3.337 20 5 FGBDMM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)c1[N+](=O)[O-] ZINC000431619714 500399587 /nfs/dbraw/zinc/39/95/87/500399587.db2.gz HPIOPIFREZPUDF-ZDUSSCGKSA-N -1 1 370.377 3.496 20 5 FGBDMM Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000428245730 500486728 /nfs/dbraw/zinc/48/67/28/500486728.db2.gz GGSBZRLMXAQPHT-UHFFFAOYSA-N -1 1 351.775 3.291 20 5 FGBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cc2ccccc2cc1[O-] ZINC000444642542 500872344 /nfs/dbraw/zinc/87/23/44/500872344.db2.gz IJGGFQTZLURTGU-UHFFFAOYSA-N -1 1 362.345 3.260 20 5 FGBDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cc([N+](=O)[O-])ccc3C)[nH][n-]2)c1 ZINC000444805287 500903776 /nfs/dbraw/zinc/90/37/76/500903776.db2.gz KDOVTJSKTGYODQ-UHFFFAOYSA-N -1 1 354.341 3.415 20 5 FGBDMM Cc1ccc(F)c(-c2cc(=NC(=O)Cc3ccccc3[N+](=O)[O-])[nH][n-]2)c1 ZINC000444811714 500905422 /nfs/dbraw/zinc/90/54/22/500905422.db2.gz KOKNGCWQNMBJMY-UHFFFAOYSA-N -1 1 354.341 3.036 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000434963930 500916883 /nfs/dbraw/zinc/91/68/83/500916883.db2.gz OEQUXTOHFIVPGA-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000436252598 501095595 /nfs/dbraw/zinc/09/55/95/501095595.db2.gz JAOZJCUQMDSTNW-SECBINFHSA-N -1 1 360.395 3.087 20 5 FGBDMM O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436870966 501225195 /nfs/dbraw/zinc/22/51/95/501225195.db2.gz RNFDSBLPTVOXSP-UHFFFAOYSA-N -1 1 373.434 3.102 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc([C@@H]2CCOC2)cc1 ZINC000451062884 501242715 /nfs/dbraw/zinc/24/27/15/501242715.db2.gz OSMYPEJQEAMIAH-CQSZACIVSA-N -1 1 362.407 3.208 20 5 FGBDMM COc1cc(C(=O)[N-]c2c(F)cc(C(C)=O)c(F)c2F)ccc1[N+](=O)[O-] ZINC000461094950 502010540 /nfs/dbraw/zinc/01/05/40/502010540.db2.gz NQNOZEFYKVFVSG-UHFFFAOYSA-N -1 1 368.267 3.476 20 5 FGBDMM O=C(c1ccc([O-])cc1)C1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596174544 506292772 /nfs/dbraw/zinc/29/27/72/506292772.db2.gz ICLRYBPGZGKWIE-UHFFFAOYSA-N -1 1 361.785 3.448 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C/C=C/c1ccccc1 ZINC000480051521 502457570 /nfs/dbraw/zinc/45/75/70/502457570.db2.gz QBCKCUFNZFTGDQ-VMPITWQZSA-N -1 1 352.799 3.240 20 5 FGBDMM COc1c(C(=O)[N-]c2c(F)cc(C(C)=O)cc2F)cccc1[N+](=O)[O-] ZINC000483804082 502497240 /nfs/dbraw/zinc/49/72/40/502497240.db2.gz WXOSQXLZUHTFDE-UHFFFAOYSA-N -1 1 350.277 3.337 20 5 FGBDMM O=C(NCc1cccc(Oc2ccccc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484244440 502606483 /nfs/dbraw/zinc/60/64/83/502606483.db2.gz KUEBZESIVMDEGJ-UHFFFAOYSA-N -1 1 365.345 3.418 20 5 FGBDMM CCc1cc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)ccc1C ZINC000488266770 502673187 /nfs/dbraw/zinc/67/31/87/502673187.db2.gz PGOXOMZTZVBKEH-UHFFFAOYSA-N -1 1 368.386 3.414 20 5 FGBDMM NC(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000477378800 502759746 /nfs/dbraw/zinc/75/97/46/502759746.db2.gz ANCNSEZQURWTPY-UHFFFAOYSA-N -1 1 366.333 3.066 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000491583833 503321502 /nfs/dbraw/zinc/32/15/02/503321502.db2.gz NKDBWNLAVCCPHV-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc(OC)c1 ZINC000491721995 503328712 /nfs/dbraw/zinc/32/87/12/503328712.db2.gz VMCKAWBKQGPFHJ-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)c(Cl)c1 ZINC000508129207 503437588 /nfs/dbraw/zinc/43/75/88/503437588.db2.gz SUGDRGRPMJBJDA-UHFFFAOYSA-N -1 1 368.789 3.495 20 5 FGBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1F ZINC000504475814 503579276 /nfs/dbraw/zinc/57/92/76/503579276.db2.gz BKAOSWLMWGPKGY-UHFFFAOYSA-N -1 1 358.416 3.052 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC000517708513 503813339 /nfs/dbraw/zinc/81/33/39/503813339.db2.gz CERGWFDTDNLDHZ-LBPRGKRZSA-N -1 1 366.826 3.257 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(Br)c(F)c3)no2)[n-]1 ZINC000547263037 504040186 /nfs/dbraw/zinc/04/01/86/504040186.db2.gz OLBBSEJQQKNBTQ-UHFFFAOYSA-N -1 1 367.134 3.465 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n[nH]c1-c1ccccc1 ZINC000538008598 504111355 /nfs/dbraw/zinc/11/13/55/504111355.db2.gz RVQYGOJDZPRKBC-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)c1 ZINC000541784940 504254344 /nfs/dbraw/zinc/25/43/44/504254344.db2.gz NJHQAKFLJQZAJG-UHFFFAOYSA-N -1 1 366.443 3.324 20 5 FGBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000544869576 504285473 /nfs/dbraw/zinc/28/54/73/504285473.db2.gz PAXZZTREXICCMU-UHFFFAOYSA-N -1 1 363.333 3.424 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n[nH]c1-c1ccccc1 ZINC000535514604 504456830 /nfs/dbraw/zinc/45/68/30/504456830.db2.gz UNGCLTOUPHJCIH-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000542933236 504663747 /nfs/dbraw/zinc/66/37/47/504663747.db2.gz YJELXIJOEZQXRW-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000561724566 505419154 /nfs/dbraw/zinc/41/91/54/505419154.db2.gz MSCLOTOULUUSLY-PSLIRLAXSA-N -1 1 368.798 3.049 20 5 FGBDMM CCOc1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])c([N+](=O)[O-])cc1OC ZINC000590369970 506805703 /nfs/dbraw/zinc/80/57/03/506805703.db2.gz BYNKIHUTNSUCCS-UHFFFAOYSA-N -1 1 374.349 3.163 20 5 FGBDMM CN(Cc1cscn1)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000609533373 506910871 /nfs/dbraw/zinc/91/08/71/506910871.db2.gz XUHFJXHWGIOSAN-UHFFFAOYSA-N -1 1 371.422 3.264 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000609802023 507007288 /nfs/dbraw/zinc/00/72/88/507007288.db2.gz GJMFLUFTFVJSPA-NSHDSACASA-N -1 1 370.839 3.374 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)c1C ZINC000594696370 507241296 /nfs/dbraw/zinc/24/12/96/507241296.db2.gz HPXKVYXKLADSDG-UHFFFAOYSA-N -1 1 362.407 3.085 20 5 FGBDMM CCN(CC)[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000737086420 600187780 /nfs/dbraw/zinc/18/77/80/600187780.db2.gz XIJKVBZCGCTYDF-KRWDZBQOSA-N -1 1 371.393 3.315 20 5 FGBDMM O=[N+]([O-])c1ccc(NCc2cccc(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000826499141 607449164 /nfs/dbraw/zinc/44/91/64/607449164.db2.gz XFDCGUWQEKQXNX-UHFFFAOYSA-N -1 1 364.287 3.406 20 5 FGBDMM O=[N+]([O-])c1ccc(NCc2cccc(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000826499141 607449166 /nfs/dbraw/zinc/44/91/66/607449166.db2.gz XFDCGUWQEKQXNX-UHFFFAOYSA-N -1 1 364.287 3.406 20 5 FGBDMM O=[N+]([O-])c1ccc2nc(SCc3ccnc(-c4nnn[n-]4)c3)sc2c1 ZINC000826499447 607541880 /nfs/dbraw/zinc/54/18/80/607541880.db2.gz IXZPMILAVIJSCU-UHFFFAOYSA-N -1 1 371.407 3.072 20 5 FGBDMM O=[N+]([O-])c1ccc2nc(SCc3ccnc(-c4nn[n-]n4)c3)sc2c1 ZINC000826499447 607541881 /nfs/dbraw/zinc/54/18/81/607541881.db2.gz IXZPMILAVIJSCU-UHFFFAOYSA-N -1 1 371.407 3.072 20 5 FGBDMM O=[N+]([O-])c1cc(-c2ccccc2)ccc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826497528 607544904 /nfs/dbraw/zinc/54/49/04/607544904.db2.gz KBNUCXOJAUDAFX-UHFFFAOYSA-N -1 1 374.360 3.416 20 5 FGBDMM O=[N+]([O-])c1cc(-c2ccccc2)ccc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826497528 607544907 /nfs/dbraw/zinc/54/49/07/607544907.db2.gz KBNUCXOJAUDAFX-UHFFFAOYSA-N -1 1 374.360 3.416 20 5 FGBDMM O=C([O-])N1CCC2(CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)CC1 ZINC000834092333 605903475 /nfs/dbraw/zinc/90/34/75/605903475.db2.gz SSDCVQDQOPPKFO-UHFFFAOYSA-N -1 1 353.806 3.214 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000119838233 700640315 /nfs/dbraw/zinc/64/03/15/700640315.db2.gz VOWSMYPSZPSRKK-GFCCVEGCSA-N -1 1 362.379 3.364 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cc1C ZINC000120171587 700649889 /nfs/dbraw/zinc/64/98/89/700649889.db2.gz ONOIZJTVZCAWRG-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cc(F)ccc1F ZINC000122310463 700687831 /nfs/dbraw/zinc/68/78/31/700687831.db2.gz HWAPQHBYCXBXGQ-ZDUSSCGKSA-N -1 1 374.340 3.442 20 5 FGBDMM COc1c(C)ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1C ZINC000179188393 705691677 /nfs/dbraw/zinc/69/16/77/705691677.db2.gz BHCSAPVZVNRLIZ-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000524649007 714293824 /nfs/dbraw/zinc/29/38/24/714293824.db2.gz QDZUIYDQHDYBRX-LBPRGKRZSA-N -1 1 357.391 3.183 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)cccc1[N+](=O)[O-] ZINC000577806506 714469721 /nfs/dbraw/zinc/46/97/21/714469721.db2.gz QHVYGTBHNUFLFW-UHFFFAOYSA-N -1 1 360.391 3.223 20 5 FGBDMM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2c(F)cc(F)cc2F)cc1[N+](=O)[O-] ZINC000744373787 722576338 /nfs/dbraw/zinc/57/63/38/722576338.db2.gz GIOJKUUENQQONJ-UHFFFAOYSA-N -1 1 355.228 3.481 20 5 FGBDMM Cc1ccc([C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000768803375 723667664 /nfs/dbraw/zinc/66/76/64/723667664.db2.gz LEGPEICHCIOLKD-OAHLLOKOSA-N -1 1 352.437 3.394 20 5 FGBDMM O=C(OCc1csc(-c2ccccn2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769045280 723675450 /nfs/dbraw/zinc/67/54/50/723675450.db2.gz AUGMNWWHTZKGCI-UHFFFAOYSA-N -1 1 357.347 3.176 20 5 FGBDMM CN1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000776092637 724109536 /nfs/dbraw/zinc/10/95/36/724109536.db2.gz ZEHSHYPOIFNUHY-UHFFFAOYSA-N -1 1 367.814 3.041 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCCCC1(F)F ZINC000831762260 729665956 /nfs/dbraw/zinc/66/59/56/729665956.db2.gz CMDMKHMAAGOHAG-VIFPVBQESA-N -1 1 368.789 3.352 20 5 FGBDMM CC(C)CN(CCC(=O)[O-])Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000901592190 743594514 /nfs/dbraw/zinc/59/45/14/743594514.db2.gz OOMYAMDHZUIILH-UHFFFAOYSA-N -1 1 365.249 3.352 20 5 FGBDMM CC[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000918191073 758314215 /nfs/dbraw/zinc/31/42/15/758314215.db2.gz HDYAJHCHCYAFDE-LBPRGKRZSA-N -1 1 352.387 3.206 20 5 FGBDMM Cc1ccc([C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C2CC2)cc1 ZINC000918194090 758315578 /nfs/dbraw/zinc/31/55/78/758315578.db2.gz LJWABPLTOQVRLN-MRXNPFEDSA-N -1 1 364.398 3.472 20 5 FGBDMM COc1c(C)ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000031722707 493957502 /nfs/dbraw/zinc/95/75/02/493957502.db2.gz ATWDPRBGTKFDGT-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3C)c2)cc1[N+](=O)[O-] ZINC000108639120 494755727 /nfs/dbraw/zinc/75/57/27/494755727.db2.gz BVHKYANXKWGEGD-UHFFFAOYSA-N -1 1 372.406 3.105 20 5 FGBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000108674982 494759781 /nfs/dbraw/zinc/75/97/81/494759781.db2.gz KBWNIOSYFHHSQB-UHFFFAOYSA-N -1 1 361.770 3.414 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)n[nH]1 ZINC000126766776 494834711 /nfs/dbraw/zinc/83/47/11/494834711.db2.gz CGYQZENQMAYTGC-UHFFFAOYSA-N -1 1 352.416 3.016 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000122916201 495051974 /nfs/dbraw/zinc/05/19/74/495051974.db2.gz OGKUZXMZPSEKPC-UHFFFAOYSA-N -1 1 373.843 3.061 20 5 FGBDMM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)ccc1[N+](=O)[O-] ZINC000124373584 495277158 /nfs/dbraw/zinc/27/71/58/495277158.db2.gz BYSVDWSONPCKJU-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCc2occc21 ZINC000125303255 495422921 /nfs/dbraw/zinc/42/29/21/495422921.db2.gz KALFKPSFSGPZKR-NSHDSACASA-N -1 1 356.787 3.197 20 5 FGBDMM Cc1cnc([C@H]([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C2CC2)s1 ZINC000173485631 495553239 /nfs/dbraw/zinc/55/32/39/495553239.db2.gz JAUUYJAQAQWZDS-CYBMUJFWSA-N -1 1 367.452 3.098 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc(Cl)c1 ZINC000146416653 495565996 /nfs/dbraw/zinc/56/59/96/495565996.db2.gz NGMNVIUFCBJDDT-UHFFFAOYSA-N -1 1 361.206 3.380 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ccc(Cl)s1 ZINC000146715518 495569760 /nfs/dbraw/zinc/56/97/60/495569760.db2.gz XTMNFLZSJNPMHN-UHFFFAOYSA-N -1 1 367.235 3.442 20 5 FGBDMM COc1cccc(F)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000187051777 496269862 /nfs/dbraw/zinc/26/98/62/496269862.db2.gz IDMBYCWXCQOXBK-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM O=C(Nc1cccc(CN2CCSCC2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164427382 496610583 /nfs/dbraw/zinc/61/05/83/496610583.db2.gz KLFDCLVTOHWEDN-UHFFFAOYSA-N -1 1 373.434 3.102 20 5 FGBDMM CC(C)(C)OC(=O)N1CCC[C@@H](c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)C1 ZINC000273994769 496985204 /nfs/dbraw/zinc/98/52/04/496985204.db2.gz YZGPVCDSVWMHBT-SNVBAGLBSA-N -1 1 363.374 3.087 20 5 FGBDMM O=[N+]([O-])c1c[n-]c(C(F)(F)C(F)(F)F)cc1=NOC[C@@H]1CCOC1 ZINC000278572766 497155630 /nfs/dbraw/zinc/15/56/30/497155630.db2.gz XMYBYQLLCHHWFN-SSDOTTSWSA-N -1 1 357.235 3.024 20 5 FGBDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263372917 497770491 /nfs/dbraw/zinc/77/04/91/497770491.db2.gz VYJCMVSCVMKHNP-YPMHNXCESA-N -1 1 361.423 3.403 20 5 FGBDMM COc1cc(C(=O)[N-]c2c(C)noc2C)c([N+](=O)[O-])cc1OC(F)F ZINC000299523871 497834207 /nfs/dbraw/zinc/83/42/07/497834207.db2.gz PBIGJYXAWMXDQF-UHFFFAOYSA-N -1 1 357.269 3.062 20 5 FGBDMM O=c1cc(C(F)F)nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)[n-]1 ZINC000289461929 498155744 /nfs/dbraw/zinc/15/57/44/498155744.db2.gz GISCELNEGXQBOT-UHFFFAOYSA-N -1 1 371.321 3.187 20 5 FGBDMM O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368422169 499294422 /nfs/dbraw/zinc/29/44/22/499294422.db2.gz LMVKGMWTRYYREP-HNNXBMFYSA-N -1 1 366.377 3.127 20 5 FGBDMM O=C([O-])[C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000414689321 499820638 /nfs/dbraw/zinc/82/06/38/499820638.db2.gz ZRJVTRCIZZTFHL-ZDUSSCGKSA-N -1 1 360.341 3.433 20 5 FGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC000431637677 500401460 /nfs/dbraw/zinc/40/14/60/500401460.db2.gz SWDBZHVCXLNZCF-CYBMUJFWSA-N -1 1 356.350 3.188 20 5 FGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c1 ZINC000570632616 506208469 /nfs/dbraw/zinc/20/84/69/506208469.db2.gz UTLQWSNZQDYUGJ-UHFFFAOYSA-N -1 1 350.400 3.166 20 5 FGBDMM CCSCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000437708748 500684201 /nfs/dbraw/zinc/68/42/01/500684201.db2.gz JIYXZMBAEJQWLU-SECBINFHSA-N -1 1 352.865 3.058 20 5 FGBDMM CO[C@@H](CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C)c1ccccc1 ZINC000450967001 501235737 /nfs/dbraw/zinc/23/57/37/501235737.db2.gz KMNUSTVRQFVTEE-KRWDZBQOSA-N -1 1 364.423 3.341 20 5 FGBDMM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Cl)c1 ZINC000485221263 501759626 /nfs/dbraw/zinc/75/96/26/501759626.db2.gz ZVWSWHITQYOEQG-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000481822741 501893688 /nfs/dbraw/zinc/89/36/88/501893688.db2.gz ICHXYNNWMHNSHE-UHFFFAOYSA-N -1 1 364.379 3.050 20 5 FGBDMM CC(C)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000471106641 501922244 /nfs/dbraw/zinc/92/22/44/501922244.db2.gz BOFHQWFXIQHUMP-UHFFFAOYSA-N -1 1 364.379 3.217 20 5 FGBDMM Cc1ccc([C@H](CN=c2[n-]c(-c3ccc([N+](=O)[O-])cc3)no2)N(C)C)cc1 ZINC000486967066 502318760 /nfs/dbraw/zinc/31/87/60/502318760.db2.gz HHXOYKWCVOUQBP-KRWDZBQOSA-N -1 1 367.409 3.090 20 5 FGBDMM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCCCC2 ZINC000487124350 502366791 /nfs/dbraw/zinc/36/67/91/502366791.db2.gz XBARJSMNGXUSGK-NEPJUHHUSA-N -1 1 374.484 3.063 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)c1C ZINC000479982984 502437308 /nfs/dbraw/zinc/43/73/08/502437308.db2.gz DWWXTUXYPOIGSY-UHFFFAOYSA-N -1 1 366.443 3.324 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000462699831 502539185 /nfs/dbraw/zinc/53/91/85/502539185.db2.gz LMCXIJVCNGIVLK-QJPTWQEYSA-N -1 1 358.847 3.495 20 5 FGBDMM Cc1cc(C)nc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000463252461 502737875 /nfs/dbraw/zinc/73/78/75/502737875.db2.gz NKWJQDALBZNYIN-UHFFFAOYSA-N -1 1 357.189 3.078 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCC(F)(F)C2)s1 ZINC000489992526 503084296 /nfs/dbraw/zinc/08/42/96/503084296.db2.gz HVCUEMOFYXPSSK-VIFPVBQESA-N -1 1 354.400 3.150 20 5 FGBDMM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000502433263 503199719 /nfs/dbraw/zinc/19/97/19/503199719.db2.gz VLVWNDLRXKEADA-UHFFFAOYSA-N -1 1 366.733 3.018 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc2[nH]ncc21 ZINC000499267980 503369708 /nfs/dbraw/zinc/36/97/08/503369708.db2.gz RCRIQYSEROLOMN-UHFFFAOYSA-N -1 1 366.786 3.234 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]c1-c1ccccc1 ZINC000540211431 503711579 /nfs/dbraw/zinc/71/15/79/503711579.db2.gz QMEWPCHZMKMCKL-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM CCOc1cc(C(=O)Nc2cc(F)ccc2[O-])c([N+](=O)[O-])cc1OC ZINC000530658132 504042369 /nfs/dbraw/zinc/04/23/69/504042369.db2.gz RHBYEGUFUYTUCL-UHFFFAOYSA-N -1 1 350.302 3.099 20 5 FGBDMM Cc1cccc([C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000530690234 504053884 /nfs/dbraw/zinc/05/38/84/504053884.db2.gz UWTLOPPWGCRIRF-OAHLLOKOSA-N -1 1 363.439 3.364 20 5 FGBDMM O=C([O-])c1cccc(OCCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000519709019 504311805 /nfs/dbraw/zinc/31/18/05/504311805.db2.gz SIMJXCFOOWCXHD-UHFFFAOYSA-N -1 1 356.378 3.336 20 5 FGBDMM Cc1cc(N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000565815171 504995224 /nfs/dbraw/zinc/99/52/24/504995224.db2.gz YATOUFOYZKBFSM-HNNXBMFYSA-N -1 1 369.299 3.295 20 5 FGBDMM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000553794513 505013315 /nfs/dbraw/zinc/01/33/15/505013315.db2.gz DLBOGVJLESMIKB-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM C[C@@H](Sc1nc(C(F)F)cc(=O)[n-]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000554932207 505301998 /nfs/dbraw/zinc/30/19/98/505301998.db2.gz IBPGXALWXNORTM-SSDOTTSWSA-N -1 1 370.337 3.147 20 5 FGBDMM CCCCCc1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000603941499 506664822 /nfs/dbraw/zinc/66/48/22/506664822.db2.gz GXXRDINVVKOQPI-UHFFFAOYSA-N -1 1 364.383 3.160 20 5 FGBDMM O=C([O-])[C@@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000593743658 506757058 /nfs/dbraw/zinc/75/70/58/506757058.db2.gz HJDPKRKSXQFQRH-GOSISDBHSA-N -1 1 356.378 3.048 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCc2ccc(F)cc21 ZINC000609319756 506851175 /nfs/dbraw/zinc/85/11/75/506851175.db2.gz IFYJGCWFSBEABB-ZDUSSCGKSA-N -1 1 370.789 3.353 20 5 FGBDMM CS(=O)(=O)c1ccsc1[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000609881467 507036830 /nfs/dbraw/zinc/03/68/30/507036830.db2.gz RQIFFSRXUYPGHI-UHFFFAOYSA-N -1 1 366.376 3.058 20 5 FGBDMM CCc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000609898651 507043983 /nfs/dbraw/zinc/04/39/83/507043983.db2.gz DOTOJWMTJGJJEW-UHFFFAOYSA-N -1 1 368.842 3.332 20 5 FGBDMM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c2ccccc21 ZINC000610263390 507166492 /nfs/dbraw/zinc/16/64/92/507166492.db2.gz RDIQPNPZCHWYHB-CQSZACIVSA-N -1 1 361.423 3.081 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCOC2 ZINC000594696055 507242336 /nfs/dbraw/zinc/24/23/36/507242336.db2.gz DKUZUPSXHMUVLE-UHFFFAOYSA-N -1 1 362.407 3.031 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1cc(C(C)(C)C)n[nH]1 ZINC000610499728 507263924 /nfs/dbraw/zinc/26/39/24/507263924.db2.gz JDUONYVPWVLZJN-UHFFFAOYSA-N -1 1 352.416 3.033 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[nH]nc1C(C)C ZINC000592384987 507630522 /nfs/dbraw/zinc/63/05/22/507630522.db2.gz HJICSALVUFXFAE-UHFFFAOYSA-N -1 1 352.416 3.167 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000738068451 600427019 /nfs/dbraw/zinc/42/70/19/600427019.db2.gz MAELEAKZFGVZTE-OAHLLOKOSA-N -1 1 350.758 3.172 20 5 FGBDMM O=C([O-])CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000833233630 601313180 /nfs/dbraw/zinc/31/31/80/601313180.db2.gz HLXCFWLFLYCFJM-UHFFFAOYSA-N -1 1 355.350 3.213 20 5 FGBDMM O=C([O-])N1CCC2(CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000834091831 605896866 /nfs/dbraw/zinc/89/68/66/605896866.db2.gz JSMLNQSRBRQBFJ-UHFFFAOYSA-N -1 1 353.806 3.214 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1c(Cl)cccc1Cl ZINC000823625172 606704028 /nfs/dbraw/zinc/70/40/28/606704028.db2.gz RYOUQQZQAHOZKW-UHFFFAOYSA-N -1 1 366.168 3.089 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1c(Cl)cccc1Cl ZINC000823625172 606704029 /nfs/dbraw/zinc/70/40/29/606704029.db2.gz RYOUQQZQAHOZKW-UHFFFAOYSA-N -1 1 366.168 3.089 20 5 FGBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000819983805 606706413 /nfs/dbraw/zinc/70/64/13/606706413.db2.gz GIWLSKXARKDTCU-UHFFFAOYSA-N -1 1 373.804 3.213 20 5 FGBDMM CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1Cl ZINC000819983805 606706414 /nfs/dbraw/zinc/70/64/14/606706414.db2.gz GIWLSKXARKDTCU-UHFFFAOYSA-N -1 1 373.804 3.213 20 5 FGBDMM Cc1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1OC(C)C ZINC000822210910 606712429 /nfs/dbraw/zinc/71/24/29/606712429.db2.gz WEKYOJDFKOZELJ-UHFFFAOYSA-N -1 1 355.358 3.009 20 5 FGBDMM Cc1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1OC(C)C ZINC000822210910 606712430 /nfs/dbraw/zinc/71/24/30/606712430.db2.gz WEKYOJDFKOZELJ-UHFFFAOYSA-N -1 1 355.358 3.009 20 5 FGBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000820462640 607163848 /nfs/dbraw/zinc/16/38/48/607163848.db2.gz ZGVAXXPRIPPYIW-LLVKDONJSA-N -1 1 365.397 3.222 20 5 FGBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000820462640 607163850 /nfs/dbraw/zinc/16/38/50/607163850.db2.gz ZGVAXXPRIPPYIW-LLVKDONJSA-N -1 1 365.397 3.222 20 5 FGBDMM CC(C)(C)CC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000048666295 695887092 /nfs/dbraw/zinc/88/70/92/695887092.db2.gz SPXWIYOUIGMNEE-UHFFFAOYSA-N -1 1 365.249 3.072 20 5 FGBDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000091010846 700409193 /nfs/dbraw/zinc/40/91/93/700409193.db2.gz TYKJQODJGAHXEY-UHFFFAOYSA-N -1 1 354.359 3.322 20 5 FGBDMM COc1ccc(C)cc1[C@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119367131 700626971 /nfs/dbraw/zinc/62/69/71/700626971.db2.gz KUSPAOYLJNPZEU-JTQLQIEISA-N -1 1 356.425 3.013 20 5 FGBDMM CC(C)(C)Oc1ccccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000524549183 714287860 /nfs/dbraw/zinc/28/78/60/714287860.db2.gz PJGKEYVSJQQNHQ-UHFFFAOYSA-N -1 1 366.395 3.279 20 5 FGBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000525185251 714328141 /nfs/dbraw/zinc/32/81/41/714328141.db2.gz GKNFDNUEFATYMD-CQSZACIVSA-N -1 1 369.830 3.319 20 5 FGBDMM CCC(CC)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000525700908 714369611 /nfs/dbraw/zinc/36/96/11/714369611.db2.gz FRHUYWJBVNBKAC-UHFFFAOYSA-N -1 1 363.439 3.026 20 5 FGBDMM CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc21 ZINC000728017096 722449486 /nfs/dbraw/zinc/44/94/86/722449486.db2.gz IUWWMNUACILHQO-UHFFFAOYSA-N -1 1 361.423 3.086 20 5 FGBDMM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000732818645 722489097 /nfs/dbraw/zinc/48/90/97/722489097.db2.gz WVOKURYJYQPOTC-JTQLQIEISA-N -1 1 372.834 3.065 20 5 FGBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1cccs1 ZINC000742311275 722554937 /nfs/dbraw/zinc/55/49/37/722554937.db2.gz AOFDHYUCIAWTQH-JTQLQIEISA-N -1 1 374.871 3.467 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000756624607 722967834 /nfs/dbraw/zinc/96/78/34/722967834.db2.gz AIIJIOLVUYINEM-UHFFFAOYSA-N -1 1 353.237 3.042 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc2[nH]ncc21 ZINC000766329102 723568782 /nfs/dbraw/zinc/56/87/82/723568782.db2.gz ISILLVOTMHKTNX-UHFFFAOYSA-N -1 1 364.358 3.028 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1C ZINC000766586609 723582709 /nfs/dbraw/zinc/58/27/09/723582709.db2.gz VWIACTRJJSXMSY-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1F ZINC000795367046 723585634 /nfs/dbraw/zinc/58/56/34/723585634.db2.gz MCGOWTXQHMLIFL-UHFFFAOYSA-N -1 1 372.761 3.391 20 5 FGBDMM Cc1ccncc1[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795909611 723613598 /nfs/dbraw/zinc/61/35/98/723613598.db2.gz RLZDZLBNNBUDQB-SECBINFHSA-N -1 1 373.793 3.130 20 5 FGBDMM CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c([O-])c1 ZINC000770868970 723722334 /nfs/dbraw/zinc/72/23/34/723722334.db2.gz QPTFJPMETQKYLC-UHFFFAOYSA-N -1 1 364.741 3.383 20 5 FGBDMM CC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCC1 ZINC000809822811 725271112 /nfs/dbraw/zinc/27/11/12/725271112.db2.gz CLFUPSWCQOFVCK-UHFFFAOYSA-N -1 1 353.227 3.370 20 5 FGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811832719 725382165 /nfs/dbraw/zinc/38/21/65/725382165.db2.gz XKWXZUIIOHUTLV-UHFFFAOYSA-N -1 1 371.758 3.266 20 5 FGBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852757923 731631239 /nfs/dbraw/zinc/63/12/39/731631239.db2.gz QPNOYDDFESBQOM-MDZLAQPJSA-N -1 1 359.348 3.045 20 5 FGBDMM Cc1nc(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)sc1C(=O)[O-] ZINC000872164108 735597801 /nfs/dbraw/zinc/59/78/01/735597801.db2.gz CSGVUJRDKUWVPZ-UHFFFAOYSA-N -1 1 361.423 3.438 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCCc1ccccc1 ZINC000918194005 758315127 /nfs/dbraw/zinc/31/51/27/758315127.db2.gz ICEMPOMCIMZPAC-UHFFFAOYSA-N -1 1 352.387 3.035 20 5 FGBDMM C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000920044632 758504056 /nfs/dbraw/zinc/50/40/56/758504056.db2.gz OMHAUHFDSQRYQS-VIFPVBQESA-N -1 1 360.844 3.219 20 5 FGBDMM Cc1oc(C(=O)[O-])cc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000579719719 505609052 /nfs/dbraw/zinc/60/90/52/505609052.db2.gz HOUYPPBRMNGILA-UHFFFAOYSA-N -1 1 360.366 3.238 20 5 FGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000111668717 495094383 /nfs/dbraw/zinc/09/43/83/495094383.db2.gz FTLYUBNMKQJBTP-UHFFFAOYSA-N -1 1 358.741 3.392 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000186325528 495948020 /nfs/dbraw/zinc/94/80/20/495948020.db2.gz DWGMEHJZXSFBQP-UHFFFAOYSA-N -1 1 361.785 3.369 20 5 FGBDMM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175273775 496318169 /nfs/dbraw/zinc/31/81/69/496318169.db2.gz RDAZFLJKKZDCCV-JQWIXIFHSA-N -1 1 364.876 3.201 20 5 FGBDMM CCOC(=O)c1cc(C(=O)[N-]c2c(F)cc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000175302021 496330486 /nfs/dbraw/zinc/33/04/86/496330486.db2.gz XJNQFDGHHPNPSS-UHFFFAOYSA-N -1 1 368.267 3.441 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1[N+](=O)[O-] ZINC000181659829 496491968 /nfs/dbraw/zinc/49/19/68/496491968.db2.gz UNMWROSARWKXQW-UHFFFAOYSA-N -1 1 372.349 3.348 20 5 FGBDMM CCc1nc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000569120428 505857480 /nfs/dbraw/zinc/85/74/80/505857480.db2.gz HACUVKGOTYAONH-SNVBAGLBSA-N -1 1 362.411 3.081 20 5 FGBDMM CC(C)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000188395925 496775495 /nfs/dbraw/zinc/77/54/95/496775495.db2.gz AHUADCLLFBPXSL-AWEZNQCLSA-N -1 1 369.381 3.089 20 5 FGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1[N+](=O)[O-] ZINC000191778750 496886031 /nfs/dbraw/zinc/88/60/31/496886031.db2.gz UZTGEMZGWPJABE-UHFFFAOYSA-N -1 1 364.427 3.393 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(-c2ccsc2)s1 ZINC000360887626 498319635 /nfs/dbraw/zinc/31/96/35/498319635.db2.gz JWBQDPYITLIIRV-UHFFFAOYSA-N -1 1 362.392 3.436 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@@H]1CC12CC2 ZINC000425271495 500061701 /nfs/dbraw/zinc/06/17/01/500061701.db2.gz ILILVMPXLWNANH-MRXNPFEDSA-N -1 1 359.407 3.360 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC000427694308 500422016 /nfs/dbraw/zinc/42/20/16/500422016.db2.gz CMVOTFYOCVKTGS-UHFFFAOYSA-N -1 1 367.155 3.324 20 5 FGBDMM CCOC(=O)c1n[n-]c(-c2cccc(CNc3ccccc3[N+](=O)[O-])c2)n1 ZINC000432930868 500592369 /nfs/dbraw/zinc/59/23/69/500592369.db2.gz HAYDPJRLIIMLCP-UHFFFAOYSA-N -1 1 367.365 3.169 20 5 FGBDMM CCc1cccc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000434968145 500916736 /nfs/dbraw/zinc/91/67/36/500916736.db2.gz RRIAVRGJTQBFCK-UHFFFAOYSA-N -1 1 372.406 3.348 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000445217272 500956086 /nfs/dbraw/zinc/95/60/86/500956086.db2.gz PIECKFREBOPOOR-ZACQAIPSSA-N -1 1 367.405 3.494 20 5 FGBDMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000436252599 501095779 /nfs/dbraw/zinc/09/57/79/501095779.db2.gz JAOZJCUQMDSTNW-VIFPVBQESA-N -1 1 360.395 3.087 20 5 FGBDMM O=C(Nc1nc(-c2cc3ccccc3o2)n[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436667342 501183639 /nfs/dbraw/zinc/18/36/39/501183639.db2.gz TVEOVTKSAIZGHA-UHFFFAOYSA-N -1 1 365.305 3.084 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)cc1[N+](=O)[O-] ZINC000451086202 501244501 /nfs/dbraw/zinc/24/45/01/501244501.db2.gz DYKZMHZCBAYQIW-UHFFFAOYSA-N -1 1 366.395 3.191 20 5 FGBDMM O=C(N[C@H]1CC[C@H](c2cccc(Cl)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000457100851 501650927 /nfs/dbraw/zinc/65/09/27/501650927.db2.gz WEBAFGQGDXRRJU-FZMZJTMJSA-N -1 1 361.785 3.415 20 5 FGBDMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000479124541 502169343 /nfs/dbraw/zinc/16/93/43/502169343.db2.gz FFOQXEKYTKDNIH-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM CC(C)(C)c1cccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1O ZINC000479539288 502290971 /nfs/dbraw/zinc/29/09/71/502290971.db2.gz GQUBXDMMDNMUDG-UHFFFAOYSA-N -1 1 366.395 3.104 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000462699830 502538602 /nfs/dbraw/zinc/53/86/02/502538602.db2.gz LMCXIJVCNGIVLK-IJLUTSLNSA-N -1 1 358.847 3.495 20 5 FGBDMM O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000515786623 503401250 /nfs/dbraw/zinc/40/12/50/503401250.db2.gz WWYYEFUJTKEYSV-UHFFFAOYSA-N -1 1 357.395 3.385 20 5 FGBDMM Cc1ccc(NCCCNC(=O)c2c(F)ccc([O-])c2F)c([N+](=O)[O-])c1 ZINC000538330648 504208822 /nfs/dbraw/zinc/20/88/22/504208822.db2.gz RJFICTRVAIJEFG-UHFFFAOYSA-N -1 1 365.336 3.119 20 5 FGBDMM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000519890428 504375452 /nfs/dbraw/zinc/37/54/52/504375452.db2.gz ZNCZQSKMKGQSAO-SNVBAGLBSA-N -1 1 370.814 3.296 20 5 FGBDMM Cc1cc(Cl)cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1[O-] ZINC000535421483 504430961 /nfs/dbraw/zinc/43/09/61/504430961.db2.gz POQYSFMVYVAQLZ-UHFFFAOYSA-N -1 1 350.714 3.243 20 5 FGBDMM CC(C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000521391483 504725207 /nfs/dbraw/zinc/72/52/07/504725207.db2.gz PHTQOLJQFDHYTQ-UHFFFAOYSA-N -1 1 354.815 3.462 20 5 FGBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000559170693 504796042 /nfs/dbraw/zinc/79/60/42/504796042.db2.gz BLKXJKIMSFDSAA-UHFFFAOYSA-N -1 1 370.390 3.421 20 5 FGBDMM COc1ccccc1[C@H]1CC[C@@H](C)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000553219837 504855042 /nfs/dbraw/zinc/85/50/42/504855042.db2.gz OZKZOTLBCIKKBN-IUODEOHRSA-N -1 1 371.393 3.317 20 5 FGBDMM CCc1ccc([C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000561349958 505322485 /nfs/dbraw/zinc/32/24/85/505322485.db2.gz YWFVFWCRRZPXBB-OAHLLOKOSA-N -1 1 355.394 3.278 20 5 FGBDMM COc1ccc(-c2ccc(CN(CC(=O)[O-])CC3CC3)o2)c([N+](=O)[O-])c1 ZINC000593333677 506549808 /nfs/dbraw/zinc/54/98/08/506549808.db2.gz YTABBRHVSSCNMB-UHFFFAOYSA-N -1 1 360.366 3.160 20 5 FGBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OCc1cccnc1 ZINC000604097345 506713095 /nfs/dbraw/zinc/71/30/95/506713095.db2.gz IILRBJBFBUQWLZ-UHFFFAOYSA-N -1 1 368.349 3.158 20 5 FGBDMM CCOCc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1 ZINC000608810456 506716035 /nfs/dbraw/zinc/71/60/35/506716035.db2.gz UPQMLZGKIBUHMT-UHFFFAOYSA-N -1 1 364.423 3.495 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc([C@H](C)OC)c2)cc1[N+](=O)[O-] ZINC000608874862 506732003 /nfs/dbraw/zinc/73/20/03/506732003.db2.gz FECWHUYGXJCZMH-NSHDSACASA-N -1 1 366.395 3.112 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)o2)s1 ZINC000609542351 506916055 /nfs/dbraw/zinc/91/60/55/506916055.db2.gz ZZYMPEOXFATXDM-UHFFFAOYSA-N -1 1 364.404 3.395 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2cncnc2)cc1 ZINC000609793589 507003918 /nfs/dbraw/zinc/00/39/18/507003918.db2.gz AZVKVMVOFZYJTN-UHFFFAOYSA-N -1 1 370.390 3.161 20 5 FGBDMM CCc1ccc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000600680650 507062405 /nfs/dbraw/zinc/06/24/05/507062405.db2.gz CITNAXQXRYVRAD-UHFFFAOYSA-N -1 1 355.394 3.278 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCC2)O1 ZINC000594492557 507152666 /nfs/dbraw/zinc/15/26/66/507152666.db2.gz XRVROHUZNVOJST-NSHDSACASA-N -1 1 374.846 3.018 20 5 FGBDMM CC(C)c1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])CC2 ZINC000594770256 507275641 /nfs/dbraw/zinc/27/56/41/507275641.db2.gz FHQULGOADOETOH-OAHLLOKOSA-N -1 1 361.423 3.079 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NC)cc1C ZINC000592353950 507615217 /nfs/dbraw/zinc/61/52/17/507615217.db2.gz WCHFQVBLGYPFRW-UHFFFAOYSA-N -1 1 365.411 3.144 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CC=CCC1 ZINC000611509854 507711880 /nfs/dbraw/zinc/71/18/80/507711880.db2.gz BNZRAGAORLLYCR-UHFFFAOYSA-N -1 1 359.407 3.162 20 5 FGBDMM CCC(CC)c1cc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)on1 ZINC000820897467 607346424 /nfs/dbraw/zinc/34/64/24/607346424.db2.gz GCCLYHHRLYSXMK-UHFFFAOYSA-N -1 1 357.374 3.279 20 5 FGBDMM Cc1csc([C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000822408911 607346995 /nfs/dbraw/zinc/34/69/95/607346995.db2.gz IKISQQCGRIOCTA-ZDUSSCGKSA-N -1 1 357.399 3.103 20 5 FGBDMM O=C([O-])[C@@H]1CC12CCN(Cc1csc(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000833771983 604648054 /nfs/dbraw/zinc/64/80/54/604648054.db2.gz WOXACEULROCTOJ-HNNXBMFYSA-N -1 1 373.434 3.405 20 5 FGBDMM COc1ccc([C@H]2CCCN2c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000821786152 606644805 /nfs/dbraw/zinc/64/48/05/606644805.db2.gz AQXONZVULXBROO-MRXNPFEDSA-N -1 1 366.381 3.125 20 5 FGBDMM CC(C)c1ccc(CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820192586 606710612 /nfs/dbraw/zinc/71/06/12/606710612.db2.gz VECVMMUFFYENOV-UHFFFAOYSA-N -1 1 367.413 3.338 20 5 FGBDMM CC(C)c1ccc(CCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820192586 606710614 /nfs/dbraw/zinc/71/06/14/606710614.db2.gz VECVMMUFFYENOV-UHFFFAOYSA-N -1 1 367.413 3.338 20 5 FGBDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000007428291 695568904 /nfs/dbraw/zinc/56/89/04/695568904.db2.gz SRMNUJGKTYUDTF-UHFFFAOYSA-N -1 1 354.771 3.252 20 5 FGBDMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cccc([N+](=O)[O-])c1 ZINC000029508296 695713468 /nfs/dbraw/zinc/71/34/68/695713468.db2.gz LFMINXWILMXBGQ-UHFFFAOYSA-N -1 1 361.408 3.216 20 5 FGBDMM COc1ccc(C)cc1[C@@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119367005 700626912 /nfs/dbraw/zinc/62/69/12/700626912.db2.gz KUSPAOYLJNPZEU-SNVBAGLBSA-N -1 1 356.425 3.013 20 5 FGBDMM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725817855 722423346 /nfs/dbraw/zinc/42/33/46/722423346.db2.gz OLEBRTYIXAEMLW-JTQLQIEISA-N -1 1 358.803 3.141 20 5 FGBDMM Cc1nc(C(F)(F)F)c(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)s1 ZINC000759574027 723009494 /nfs/dbraw/zinc/00/94/94/723009494.db2.gz JKUMJXKBUIOHFK-UHFFFAOYSA-N -1 1 362.285 3.441 20 5 FGBDMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000794070233 723487598 /nfs/dbraw/zinc/48/75/98/723487598.db2.gz MHWWEZDIEKXYOS-UHFFFAOYSA-N -1 1 366.786 3.234 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCc2ccc(F)cc21 ZINC000795273879 723577901 /nfs/dbraw/zinc/57/79/01/723577901.db2.gz IZNIFCBQLQBWRJ-AWEZNQCLSA-N -1 1 368.361 3.229 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000767854218 723637077 /nfs/dbraw/zinc/63/70/77/723637077.db2.gz MKZYJKJQBLMEDM-VIFPVBQESA-N -1 1 354.762 3.104 20 5 FGBDMM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000769088542 723676546 /nfs/dbraw/zinc/67/65/46/723676546.db2.gz SQTCEQREIMHUCM-QMMMGPOBSA-N -1 1 360.757 3.321 20 5 FGBDMM COC(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c(F)c1 ZINC000776304553 724130583 /nfs/dbraw/zinc/13/05/83/724130583.db2.gz XJBATALWUYIKIM-UHFFFAOYSA-N -1 1 354.240 3.051 20 5 FGBDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000811676448 725376405 /nfs/dbraw/zinc/37/64/05/725376405.db2.gz XFWXBIHIEOBKDT-UHFFFAOYSA-N -1 1 374.777 3.335 20 5 FGBDMM CC(F)(F)c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000814397081 726962237 /nfs/dbraw/zinc/96/22/37/726962237.db2.gz NNXLQIHXFWIUBA-UHFFFAOYSA-N -1 1 362.379 3.247 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCc2occc21 ZINC000814985514 727017491 /nfs/dbraw/zinc/01/74/91/727017491.db2.gz JNIPZQVITRKRLU-LLVKDONJSA-N -1 1 374.777 3.336 20 5 FGBDMM CC(C)CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000855189721 731904883 /nfs/dbraw/zinc/90/48/83/731904883.db2.gz NBKISBUSLXESSV-UHFFFAOYSA-N -1 1 365.371 3.195 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000903630533 743865261 /nfs/dbraw/zinc/86/52/61/743865261.db2.gz DRSNRFGVQAPKDR-LBPRGKRZSA-N -1 1 361.423 3.204 20 5 FGBDMM CC(C)n1c(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[n-]c1=S ZINC000097552745 222190834 /nfs/dbraw/zinc/19/08/34/222190834.db2.gz GEQCZQXDOTXDMJ-UHFFFAOYSA-N -1 1 369.834 3.056 20 5 FGBDMM Cc1cc(C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n[nH]1 ZINC000577064574 505656462 /nfs/dbraw/zinc/65/64/62/505656462.db2.gz FJZOKAMSVRRSNR-UHFFFAOYSA-N -1 1 364.789 3.005 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000063465675 494056618 /nfs/dbraw/zinc/05/66/18/494056618.db2.gz VPQXLBDONQXVNT-UHFFFAOYSA-N -1 1 368.389 3.344 20 5 FGBDMM Cc1nc(-c2ccc(NCCc3ccccc3[N+](=O)[O-])nc2)[n-]c(=O)c1C ZINC000078454730 494298499 /nfs/dbraw/zinc/29/84/99/494298499.db2.gz DQPDCZWATBZCIJ-UHFFFAOYSA-N -1 1 365.393 3.012 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091052996 494519651 /nfs/dbraw/zinc/51/96/51/494519651.db2.gz NXTDFVPZLBNIGQ-UHFFFAOYSA-N -1 1 350.396 3.491 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)cc1[N+](=O)[O-] ZINC000047251022 494664425 /nfs/dbraw/zinc/66/44/25/494664425.db2.gz ZRCACPYNGJMNLY-UHFFFAOYSA-N -1 1 364.379 3.211 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C)c1Cl ZINC000075082094 494684807 /nfs/dbraw/zinc/68/48/07/494684807.db2.gz AJFCWKFZXOYONL-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000127716985 494986514 /nfs/dbraw/zinc/98/65/14/494986514.db2.gz VNFKIXPSVHNSTI-UHFFFAOYSA-N -1 1 372.768 3.029 20 5 FGBDMM O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119327309 495142836 /nfs/dbraw/zinc/14/28/36/495142836.db2.gz PCZLDJYETMNDAR-UHFFFAOYSA-N -1 1 366.255 3.448 20 5 FGBDMM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146972977 495571112 /nfs/dbraw/zinc/57/11/12/495571112.db2.gz KXVQLGDSRMHSIO-SNVBAGLBSA-N -1 1 372.805 3.297 20 5 FGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)[nH]n1 ZINC000159876670 495830587 /nfs/dbraw/zinc/83/05/87/495830587.db2.gz WXFREWHMOOPBGS-JTQLQIEISA-N -1 1 368.415 3.031 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])c1nccs1 ZINC000159980822 495856140 /nfs/dbraw/zinc/85/61/40/495856140.db2.gz SFRXBPIGZNTBKC-LLVKDONJSA-N -1 1 355.441 3.098 20 5 FGBDMM CC(C)c1nnc(-c2ccccc2NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[nH]1 ZINC000183461446 495994269 /nfs/dbraw/zinc/99/42/69/495994269.db2.gz OGXOBCMKFHGVII-UHFFFAOYSA-N -1 1 367.365 3.461 20 5 FGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)c1 ZINC000152418621 496145913 /nfs/dbraw/zinc/14/59/13/496145913.db2.gz UHEBGSQYWPEWLF-FNORWQNLSA-N -1 1 372.362 3.471 20 5 FGBDMM COc1c(F)cc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000187186411 496329844 /nfs/dbraw/zinc/32/98/44/496329844.db2.gz KUUHEVZFGLUSPY-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]n1 ZINC000162935041 496436575 /nfs/dbraw/zinc/43/65/75/496436575.db2.gz MFGFEOJYEDAOTF-SNVBAGLBSA-N -1 1 352.416 3.331 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(F)c1 ZINC000184771591 496525121 /nfs/dbraw/zinc/52/51/21/496525121.db2.gz ONRPUYFUVZNRGE-UHFFFAOYSA-N -1 1 361.354 3.391 20 5 FGBDMM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc([O-])c([N+](=O)[O-])c3)[nH]c2c1 ZINC000164624755 496623796 /nfs/dbraw/zinc/62/37/96/496623796.db2.gz KBDGKHSLZFSDBN-HNNXBMFYSA-N -1 1 366.377 3.462 20 5 FGBDMM CC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1nc(C)cs1 ZINC000173374986 496664436 /nfs/dbraw/zinc/66/44/36/496664436.db2.gz XXUQNWCJACDSML-AWEZNQCLSA-N -1 1 373.431 3.103 20 5 FGBDMM COc1ccc([C@H](C)CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000173378353 496664854 /nfs/dbraw/zinc/66/48/54/496664854.db2.gz SRLGHSHTUDEARR-LLVKDONJSA-N -1 1 370.452 3.137 20 5 FGBDMM CCOc1ccc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000188091050 496678299 /nfs/dbraw/zinc/67/82/99/496678299.db2.gz SNWLUHHHAXIKKE-OAHLLOKOSA-N -1 1 357.366 3.071 20 5 FGBDMM COCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191788781 496889659 /nfs/dbraw/zinc/88/96/59/496889659.db2.gz YUGAPOZAAZAFPD-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)c1 ZINC000255337435 497364382 /nfs/dbraw/zinc/36/43/82/497364382.db2.gz UHEBGSQYWPEWLF-ALCCZGGFSA-N -1 1 372.362 3.471 20 5 FGBDMM CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193490642 497394399 /nfs/dbraw/zinc/39/43/99/497394399.db2.gz URWAGVCHAUAJGG-JKSUJKDBSA-N -1 1 355.394 3.494 20 5 FGBDMM CCOc1cc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000572168847 505905911 /nfs/dbraw/zinc/90/59/11/505905911.db2.gz NPUZCRBVERGFPQ-GOSISDBHSA-N -1 1 356.378 3.178 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1Cl)CC1CC1 ZINC000578683170 505996323 /nfs/dbraw/zinc/99/63/23/505996323.db2.gz ORDZSOJBXCEOEE-UHFFFAOYSA-N -1 1 361.785 3.401 20 5 FGBDMM CCCc1nnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000429931699 500168396 /nfs/dbraw/zinc/16/83/96/500168396.db2.gz WJZNJAGCMPHAAU-UHFFFAOYSA-N -1 1 371.216 3.414 20 5 FGBDMM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000430386205 500233785 /nfs/dbraw/zinc/23/37/85/500233785.db2.gz NGESCXDAVRKESS-UHFFFAOYSA-N -1 1 368.386 3.298 20 5 FGBDMM O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000427607188 500411012 /nfs/dbraw/zinc/41/10/12/500411012.db2.gz SARYYFGPOJBYHT-UHFFFAOYSA-N -1 1 365.271 3.380 20 5 FGBDMM CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443725236 500759223 /nfs/dbraw/zinc/75/92/23/500759223.db2.gz QAYDPIKITYIMEP-VIFPVBQESA-N -1 1 365.249 3.070 20 5 FGBDMM C[C@@H]1C[C@H]1[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000445011101 500932590 /nfs/dbraw/zinc/93/25/90/500932590.db2.gz WJFYKEZWMSVZGL-XXLQHYSLSA-N -1 1 361.785 3.476 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440136438 500979811 /nfs/dbraw/zinc/97/98/11/500979811.db2.gz PSAKGXVDVKZEII-FQEVSTJZSA-N -1 1 367.405 3.206 20 5 FGBDMM O=[N+]([O-])c1ccc(-n2cc(-c3nc(-c4ccc([O-])cc4F)no3)cn2)cc1 ZINC000445465702 500991218 /nfs/dbraw/zinc/99/12/18/500991218.db2.gz SPZMLQKDHYIVHP-UHFFFAOYSA-N -1 1 367.296 3.342 20 5 FGBDMM O=c1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000445484272 500993931 /nfs/dbraw/zinc/99/39/31/500993931.db2.gz WZLWUAZEETXPOL-UHFFFAOYSA-N -1 1 368.280 3.410 20 5 FGBDMM O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436478668 501134309 /nfs/dbraw/zinc/13/43/09/501134309.db2.gz NNTIROSFLLNFOT-UHFFFAOYSA-N -1 1 362.285 3.120 20 5 FGBDMM O=c1cc(/C=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)nc2nc[n-]n21 ZINC000486173101 502071383 /nfs/dbraw/zinc/07/13/83/502071383.db2.gz SWELAHLPMDVMJP-WAYWQWQTSA-N -1 1 365.374 3.225 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)cc1[N+](=O)[O-] ZINC000484207160 502600244 /nfs/dbraw/zinc/60/02/44/502600244.db2.gz XBXSQLZEYLSYSU-UHFFFAOYSA-N -1 1 373.390 3.399 20 5 FGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1NC(=O)c1ccco1 ZINC000492710893 503381829 /nfs/dbraw/zinc/38/18/29/503381829.db2.gz ODHQGDUZAGKFFU-UHFFFAOYSA-N -1 1 354.322 3.329 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000511858575 503401953 /nfs/dbraw/zinc/40/19/53/503401953.db2.gz IZGXUONDQFRAET-CYBMUJFWSA-N -1 1 370.789 3.353 20 5 FGBDMM CCc1nc(SCc2cc(OC)c(F)cc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000516878596 503606950 /nfs/dbraw/zinc/60/69/50/503606950.db2.gz PYVVCWXJRHXDIG-UHFFFAOYSA-N -1 1 353.375 3.401 20 5 FGBDMM COCc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000537035688 503784540 /nfs/dbraw/zinc/78/45/40/503784540.db2.gz RGUWEUSATYUJNW-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1csc([N+](=O)[O-])c1 ZINC000534553552 504173248 /nfs/dbraw/zinc/17/32/48/504173248.db2.gz XQVAWYKTHVMMAT-UHFFFAOYSA-N -1 1 354.800 3.436 20 5 FGBDMM Cc1nc2ccc([N-]S(=O)(=O)c3c(C)c(C)ccc3[N+](=O)[O-])cc2[nH]1 ZINC000534683543 504215302 /nfs/dbraw/zinc/21/53/02/504215302.db2.gz XRQNXNJEWNIEJD-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000531444882 504309661 /nfs/dbraw/zinc/30/96/61/504309661.db2.gz FYKGHRBJLOKNLN-VIFPVBQESA-N -1 1 358.778 3.427 20 5 FGBDMM O=C(NCc1ccc(-c2ccccc2)cc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000561407508 505338132 /nfs/dbraw/zinc/33/81/32/505338132.db2.gz MVTYJQSQVLHFNY-UHFFFAOYSA-N -1 1 367.336 3.432 20 5 FGBDMM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000561724569 505419056 /nfs/dbraw/zinc/41/90/56/505419056.db2.gz MSCLOTOULUUSLY-VFZGTOFNSA-N -1 1 368.798 3.049 20 5 FGBDMM O=C(NCCCCc1ccc(Cl)s1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000552314184 505458149 /nfs/dbraw/zinc/45/81/49/505458149.db2.gz BRLGGSGBBAQQII-UHFFFAOYSA-N -1 1 355.803 3.163 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000603978424 506678436 /nfs/dbraw/zinc/67/84/36/506678436.db2.gz FGYQMGROYBTCNK-UHFFFAOYSA-N -1 1 350.396 3.491 20 5 FGBDMM CCCOc1cc(C)ccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000603982569 506680184 /nfs/dbraw/zinc/68/01/84/506680184.db2.gz RWCAFQHWOICZAZ-UHFFFAOYSA-N -1 1 366.395 3.198 20 5 FGBDMM CCOc1ccc(Br)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000609074094 506770398 /nfs/dbraw/zinc/77/03/98/506770398.db2.gz AIFKFYOJYVIIAC-UHFFFAOYSA-N -1 1 354.160 3.336 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1Cc1ccccc1F ZINC000593827397 506794519 /nfs/dbraw/zinc/79/45/19/506794519.db2.gz FIOURJDGJNXBHF-AWEZNQCLSA-N -1 1 359.357 3.072 20 5 FGBDMM CO[C@H](CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C)C1CCCCC1 ZINC000594696235 507242622 /nfs/dbraw/zinc/24/26/22/507242622.db2.gz MMGIYDGBJYYIGT-MRXNPFEDSA-N -1 1 356.444 3.240 20 5 FGBDMM O=[N+]([O-])c1c(NC2CC=CC2)cc(NC2CC=CC2)cc1-c1nnn[n-]1 ZINC000823629967 607120164 /nfs/dbraw/zinc/12/01/64/607120164.db2.gz OKFLMDZMBDCFEL-UHFFFAOYSA-N -1 1 353.386 3.036 20 5 FGBDMM O=[N+]([O-])c1c(NC2CC=CC2)cc(NC2CC=CC2)cc1-c1nn[n-]n1 ZINC000823629967 607120166 /nfs/dbraw/zinc/12/01/66/607120166.db2.gz OKFLMDZMBDCFEL-UHFFFAOYSA-N -1 1 353.386 3.036 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000725827473 722424205 /nfs/dbraw/zinc/42/42/05/722424205.db2.gz DKPBCFORLCPOJK-CHWSQXEVSA-N -1 1 370.789 3.222 20 5 FGBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cc(CC(C)C)[nH]n2)cc1[N+](=O)[O-] ZINC000760895187 723102393 /nfs/dbraw/zinc/10/23/93/723102393.db2.gz QHQOHBGXRNWGLG-UHFFFAOYSA-N -1 1 372.834 3.279 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)[nH]n2)cs1 ZINC000768861782 723669912 /nfs/dbraw/zinc/66/99/12/723669912.db2.gz JTHJIUAELHEQMJ-UHFFFAOYSA-N -1 1 370.456 3.303 20 5 FGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl ZINC000769046773 723675482 /nfs/dbraw/zinc/67/54/82/723675482.db2.gz ICGQFSYFEKLOBU-SECBINFHSA-N -1 1 364.741 3.138 20 5 FGBDMM O=C(OCc1csc([N+](=O)[O-])c1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000801326335 724293540 /nfs/dbraw/zinc/29/35/40/724293540.db2.gz ONXMYDDEWXSYIS-UHFFFAOYSA-N -1 1 363.326 3.044 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccsc2)c1Cl ZINC000809391339 725241666 /nfs/dbraw/zinc/24/16/66/725241666.db2.gz SVFUMLXADWYRHW-UHFFFAOYSA-N -1 1 367.235 3.442 20 5 FGBDMM CSCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809818837 725270737 /nfs/dbraw/zinc/27/07/37/725270737.db2.gz PYOWAAHEQZMHRH-ZETCQYMHSA-N -1 1 373.283 3.322 20 5 FGBDMM CSCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830563615 729572011 /nfs/dbraw/zinc/57/20/11/729572011.db2.gz LNFFPNBDBVXZER-ZETCQYMHSA-N -1 1 373.283 3.322 20 5 FGBDMM CNc1nccc(C(=O)[N-]c2nnc(C3CCCCC3)s2)c1[N+](=O)[O-] ZINC000847375253 731050477 /nfs/dbraw/zinc/05/04/77/731050477.db2.gz CQSDHWVSRJRCBN-UHFFFAOYSA-N -1 1 362.415 3.183 20 5 FGBDMM COCc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cc1 ZINC000857224976 732113602 /nfs/dbraw/zinc/11/36/02/732113602.db2.gz BZFLHUHZICFYEX-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM CCc1cc(Cl)cnc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000863449989 732965365 /nfs/dbraw/zinc/96/53/65/732965365.db2.gz BEIFRQZMGWAZIT-UHFFFAOYSA-N -1 1 369.830 3.190 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000903626978 743864589 /nfs/dbraw/zinc/86/45/89/743864589.db2.gz LDJWPUPCXUWLCI-CYBMUJFWSA-N -1 1 362.279 3.159 20 5 FGBDMM C[C@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000903703076 743877440 /nfs/dbraw/zinc/87/74/40/743877440.db2.gz QQRWGUTVTMGHAB-ZANVPECISA-N -1 1 357.204 3.042 20 5 FGBDMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000903911441 743896133 /nfs/dbraw/zinc/89/61/33/743896133.db2.gz GPOBRBXQMVKARZ-UWVGGRQHSA-N -1 1 371.231 3.431 20 5 FGBDMM O=C([O-])[C@]12CCC[C@H]1N(Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000903913730 743896480 /nfs/dbraw/zinc/89/64/80/743896480.db2.gz TVYVCUBMGFSNER-HIFRSBDPSA-N -1 1 369.215 3.187 20 5 FGBDMM C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)[C@H]1C(=O)[O-] ZINC000923249226 759090463 /nfs/dbraw/zinc/09/04/63/759090463.db2.gz NMLXDRQZOSRZAQ-NOZJJQNGSA-N -1 1 357.204 3.042 20 5 FGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc3n[nH]cc3c2)cc1[N+](=O)[O-] ZINC000031534105 493946783 /nfs/dbraw/zinc/94/67/83/493946783.db2.gz YCUPGTNHWASVHA-UHFFFAOYSA-N -1 1 366.786 3.234 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(-c2cc[nH]n2)c1 ZINC000032086122 493973984 /nfs/dbraw/zinc/97/39/84/493973984.db2.gz CLEIPPAQZDXNGL-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1[O-] ZINC000066050274 494273641 /nfs/dbraw/zinc/27/36/41/494273641.db2.gz YFNTWFDLGYBQIX-UHFFFAOYSA-N -1 1 365.183 3.035 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)s1 ZINC000066327270 494312142 /nfs/dbraw/zinc/31/21/42/494312142.db2.gz CUMYVTLDPNPRME-UHFFFAOYSA-N -1 1 366.342 3.154 20 5 FGBDMM CCCCCc1nnc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])s1 ZINC000067298322 494511137 /nfs/dbraw/zinc/51/11/37/494511137.db2.gz CCLOXZGFJTXDSY-UHFFFAOYSA-N -1 1 350.400 3.440 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c(C)c1 ZINC000091054422 494519977 /nfs/dbraw/zinc/51/99/77/494519977.db2.gz SLEHZVFKZNGTCX-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)cc1C ZINC000170708137 495576303 /nfs/dbraw/zinc/57/63/03/495576303.db2.gz CEJLPRZRZHYATO-UHFFFAOYSA-N -1 1 350.396 3.275 20 5 FGBDMM CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[C@H]1c1ccccc1 ZINC000174094401 495818924 /nfs/dbraw/zinc/81/89/24/495818924.db2.gz IAGRNNRVQNLDOH-CZUORRHYSA-N -1 1 355.394 3.351 20 5 FGBDMM CCOc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000186635740 496083896 /nfs/dbraw/zinc/08/38/96/496083896.db2.gz BWHIBFCZMAUKKX-UHFFFAOYSA-N -1 1 350.758 3.283 20 5 FGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000186758248 496137067 /nfs/dbraw/zinc/13/70/67/496137067.db2.gz HXSWMBNNKYGRRK-QMMMGPOBSA-N -1 1 355.272 3.205 20 5 FGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1 ZINC000188441587 496790835 /nfs/dbraw/zinc/79/08/35/496790835.db2.gz RUIUWNXWDRJOEV-JTQLQIEISA-N -1 1 370.390 3.310 20 5 FGBDMM CCc1cc(=O)[n-]c(SCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)n1 ZINC000189438280 497118615 /nfs/dbraw/zinc/11/86/15/497118615.db2.gz LBEXDHZZSFKFGO-UHFFFAOYSA-N -1 1 358.379 3.188 20 5 FGBDMM COc1ccc(N[C@H](C)c2ccccc2[N+](=O)[O-])cc1[N-]S(C)(=O)=O ZINC000266448901 497344743 /nfs/dbraw/zinc/34/47/43/497344743.db2.gz ITHSWDJLVQGAIX-LLVKDONJSA-N -1 1 365.411 3.148 20 5 FGBDMM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193577155 497417337 /nfs/dbraw/zinc/41/73/37/497417337.db2.gz YPNGEFZIMIUMQT-SECBINFHSA-N -1 1 369.299 3.075 20 5 FGBDMM COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000276372082 497556700 /nfs/dbraw/zinc/55/67/00/497556700.db2.gz RAOIEHMGNIPQMA-VIFPVBQESA-N -1 1 353.762 3.242 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000285960626 498253109 /nfs/dbraw/zinc/25/31/09/498253109.db2.gz AOGUINHNXQTGKI-BZUAXINKSA-N -1 1 353.378 3.104 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c([N+](=O)[O-])c1 ZINC000579034086 506078645 /nfs/dbraw/zinc/07/86/45/506078645.db2.gz FANMYHICGLVHKQ-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000366911214 499112900 /nfs/dbraw/zinc/11/29/00/499112900.db2.gz UQATVSINWUXSPK-INIZCTEOSA-N -1 1 365.748 3.060 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1CCC(F)(F)CC1 ZINC000409894166 499627925 /nfs/dbraw/zinc/62/79/25/499627925.db2.gz CHPWIRGJMFVNFS-UHFFFAOYSA-N -1 1 368.789 3.352 20 5 FGBDMM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000443725235 500759050 /nfs/dbraw/zinc/75/90/50/500759050.db2.gz QAYDPIKITYIMEP-SECBINFHSA-N -1 1 365.249 3.070 20 5 FGBDMM COc1cc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)cc([N+](=O)[O-])c1O ZINC000439271463 500878491 /nfs/dbraw/zinc/87/84/91/500878491.db2.gz GVDZWLJTZHAMJQ-WAYWQWQTSA-N -1 1 356.290 3.319 20 5 FGBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]n1 ZINC000434958395 500915726 /nfs/dbraw/zinc/91/57/26/500915726.db2.gz FIECKZONTWQNBW-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444959940 500925637 /nfs/dbraw/zinc/92/56/37/500925637.db2.gz SMKHDDUNMPMTAN-RDJZCZTQSA-N -1 1 371.393 3.124 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(CC3CCCCC3)n[nH]2)cc1 ZINC000470573105 501731483 /nfs/dbraw/zinc/73/14/83/501731483.db2.gz GWDAIVUUIGJOPA-UHFFFAOYSA-N -1 1 364.427 3.242 20 5 FGBDMM O=C(Nc1cc(Cl)ccc1N1CCSCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000503637650 503449627 /nfs/dbraw/zinc/44/96/27/503449627.db2.gz OGMXERJZAHPMNR-UHFFFAOYSA-N -1 1 366.830 3.382 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C3CCC3)cc2)s1 ZINC000494423104 503539487 /nfs/dbraw/zinc/53/94/87/503539487.db2.gz DXAKJUDTJFNIPW-UHFFFAOYSA-N -1 1 352.437 3.402 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2CSC)cc1[N+](=O)[O-] ZINC000546783015 503877033 /nfs/dbraw/zinc/87/70/33/503877033.db2.gz XGHQRPKTOHJARH-UHFFFAOYSA-N -1 1 368.436 3.267 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000530440198 503965074 /nfs/dbraw/zinc/96/50/74/503965074.db2.gz SAIVYXRFBAORDQ-UHFFFAOYSA-N -1 1 356.350 3.432 20 5 FGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](CC1CCC1)c1ccccc1 ZINC000537594154 503966280 /nfs/dbraw/zinc/96/62/80/503966280.db2.gz ZFXABWRXOSJZBN-HNNXBMFYSA-N -1 1 361.423 3.200 20 5 FGBDMM CCCc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1cccc(F)c1 ZINC000544296019 504077925 /nfs/dbraw/zinc/07/79/25/504077925.db2.gz PBPYJZMCFOEMPY-UHFFFAOYSA-N -1 1 357.345 3.453 20 5 FGBDMM CCCCc1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[nH]n1 ZINC000544621642 504193699 /nfs/dbraw/zinc/19/36/99/504193699.db2.gz DDVZHLBLOOZXAE-UHFFFAOYSA-N -1 1 352.416 3.078 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000538753702 504358240 /nfs/dbraw/zinc/35/82/40/504358240.db2.gz BYXQRWXRCZJOOU-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM O=C([O-])c1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000521634287 504767054 /nfs/dbraw/zinc/76/70/54/504767054.db2.gz MEKQTOWNDPBSGR-UHFFFAOYSA-N -1 1 362.407 3.398 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000559186094 504798359 /nfs/dbraw/zinc/79/83/59/504798359.db2.gz LJYYGYFBXYPIBF-RDJZCZTQSA-N -1 1 350.321 3.198 20 5 FGBDMM CCOC(=O)C(C)(C)C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000559243471 504806789 /nfs/dbraw/zinc/80/67/89/504806789.db2.gz IXUBRFVEXZUOHJ-UHFFFAOYSA-N -1 1 350.415 3.102 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000566829633 505283366 /nfs/dbraw/zinc/28/33/66/505283366.db2.gz VBAMNHGMFMQVLS-UHFFFAOYSA-N -1 1 354.359 3.106 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1C ZINC000583537878 506833715 /nfs/dbraw/zinc/83/37/15/506833715.db2.gz LZGKKAGXXPDAEI-UHFFFAOYSA-N -1 1 368.386 3.414 20 5 FGBDMM Cc1ccccc1[C@@H](CC(C)C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263658 507166781 /nfs/dbraw/zinc/16/67/81/507166781.db2.gz RAZGNUAWMWVRNZ-OAHLLOKOSA-N -1 1 363.439 3.364 20 5 FGBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000614484382 507537256 /nfs/dbraw/zinc/53/72/56/507537256.db2.gz SIERNVCZZLAHGL-UHFFFAOYSA-N -1 1 366.370 3.421 20 5 FGBDMM CCc1[n-][nH]c(=NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1Br ZINC000479988226 561200830 /nfs/dbraw/zinc/20/08/30/561200830.db2.gz LSKKFNVRJZTVNG-UHFFFAOYSA-N -1 1 357.139 3.034 20 5 FGBDMM Cc1cn([C@@H](C)c2ccccc2)[nH]c1=NC(=O)c1cc([N+](=O)[O-])cnc1[O-] ZINC000473104004 561042238 /nfs/dbraw/zinc/04/22/38/561042238.db2.gz XNFGMXKREJPFIP-LBPRGKRZSA-N -1 1 367.365 3.062 20 5 FGBDMM Cc1cn([C@@H](C)c2ccccc2)[nH]c1=NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000473104004 561042239 /nfs/dbraw/zinc/04/22/39/561042239.db2.gz XNFGMXKREJPFIP-LBPRGKRZSA-N -1 1 367.365 3.062 20 5 FGBDMM O=[N+]([O-])c1ccc(Oc2c3ccccc3nnc2-c2nn[n-]n2)cc1Cl ZINC000738367015 598961964 /nfs/dbraw/zinc/96/19/64/598961964.db2.gz NKWOCMCOBLZDTE-UHFFFAOYSA-N -1 1 369.728 3.164 20 5 FGBDMM Cc1ccnc(NC[C@H]2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)C2)c1 ZINC000832984491 602316642 /nfs/dbraw/zinc/31/66/42/602316642.db2.gz UGJNNTHRJNHPMY-CQSZACIVSA-N -1 1 370.409 3.243 20 5 FGBDMM CC[C@@H](Nc1ccc(Cl)c(-c2nnn[n-]2)n1)c1cccc([N+](=O)[O-])c1 ZINC000820925295 606479291 /nfs/dbraw/zinc/47/92/91/606479291.db2.gz GJHNUXKALADKLN-GFCCVEGCSA-N -1 1 359.777 3.387 20 5 FGBDMM CC[C@@H](Nc1ccc(Cl)c(-c2nn[n-]n2)n1)c1cccc([N+](=O)[O-])c1 ZINC000820925295 606479292 /nfs/dbraw/zinc/47/92/92/606479292.db2.gz GJHNUXKALADKLN-GFCCVEGCSA-N -1 1 359.777 3.387 20 5 FGBDMM COc1ccccc1[C@H](C)Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821882835 606714024 /nfs/dbraw/zinc/71/40/24/606714024.db2.gz LSYPYNKMELTVIX-VIFPVBQESA-N -1 1 358.383 3.032 20 5 FGBDMM COc1ccccc1[C@H](C)Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821882835 606714025 /nfs/dbraw/zinc/71/40/25/606714025.db2.gz LSYPYNKMELTVIX-VIFPVBQESA-N -1 1 358.383 3.032 20 5 FGBDMM C[C@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000820462641 607164407 /nfs/dbraw/zinc/16/44/07/607164407.db2.gz ZGVAXXPRIPPYIW-NSHDSACASA-N -1 1 365.397 3.222 20 5 FGBDMM C[C@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000820462641 607164409 /nfs/dbraw/zinc/16/44/09/607164409.db2.gz ZGVAXXPRIPPYIW-NSHDSACASA-N -1 1 365.397 3.222 20 5 FGBDMM Cc1ccc([C@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826284568 608189417 /nfs/dbraw/zinc/18/94/17/608189417.db2.gz YBRMIFSJLBMARA-ZETCQYMHSA-N -1 1 365.806 3.366 20 5 FGBDMM Cc1ccc([C@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826284568 608189418 /nfs/dbraw/zinc/18/94/18/608189418.db2.gz YBRMIFSJLBMARA-ZETCQYMHSA-N -1 1 365.806 3.366 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000047671056 695866156 /nfs/dbraw/zinc/86/61/56/695866156.db2.gz QQSWQQZRIJCMJN-SECBINFHSA-N -1 1 358.778 3.427 20 5 FGBDMM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000104753831 700496362 /nfs/dbraw/zinc/49/63/62/700496362.db2.gz XMALMGJXTWEMKC-CQSZACIVSA-N -1 1 350.371 3.008 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000119364840 700626902 /nfs/dbraw/zinc/62/69/02/700626902.db2.gz HQUVGPHDYCXPSW-SECBINFHSA-N -1 1 352.393 3.442 20 5 FGBDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000119379202 700627693 /nfs/dbraw/zinc/62/76/93/700627693.db2.gz RYIARVRWCNCZCK-HNNXBMFYSA-N -1 1 368.436 3.095 20 5 FGBDMM C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000263066169 713735357 /nfs/dbraw/zinc/73/53/57/713735357.db2.gz OAQHRTUDLUZGKC-WCQYABFASA-N -1 1 361.423 3.261 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000525185991 714327946 /nfs/dbraw/zinc/32/79/46/714327946.db2.gz IZJOFZOOLSCVAO-GFCCVEGCSA-N -1 1 355.803 3.073 20 5 FGBDMM C[C@@H]1C[C@@H]1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000615490710 714531485 /nfs/dbraw/zinc/53/14/85/714531485.db2.gz XOFXVYUWPWOMNE-CHWSQXEVSA-N -1 1 361.423 3.464 20 5 FGBDMM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000782344833 724656004 /nfs/dbraw/zinc/65/60/04/724656004.db2.gz BFZRMNFGVGNDQD-UHFFFAOYSA-N -1 1 352.686 3.219 20 5 FGBDMM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000732816732 722489065 /nfs/dbraw/zinc/48/90/65/722489065.db2.gz DUYKAUPFFIFCOD-MRXNPFEDSA-N -1 1 364.398 3.472 20 5 FGBDMM CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000736636832 722523943 /nfs/dbraw/zinc/52/39/43/722523943.db2.gz YLWZUXNXPRDLIG-HNNXBMFYSA-N -1 1 369.830 3.319 20 5 FGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C(C1CCCC1)C1CCCC1 ZINC000742300150 722554760 /nfs/dbraw/zinc/55/47/60/722554760.db2.gz TZUCQRUVXDMWLG-UHFFFAOYSA-N -1 1 353.444 3.017 20 5 FGBDMM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(Br)cc1O ZINC000753977380 722921292 /nfs/dbraw/zinc/92/12/92/722921292.db2.gz VJQXULOBFGYZJA-UHFFFAOYSA-N -1 1 353.128 3.021 20 5 FGBDMM O=C(CSc1ccccc1Cl)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000792395137 723334609 /nfs/dbraw/zinc/33/46/09/723334609.db2.gz TYCVQNNPMIBUPM-UHFFFAOYSA-N -1 1 350.783 3.297 20 5 FGBDMM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768808677 723667846 /nfs/dbraw/zinc/66/78/46/723667846.db2.gz DKQCGCDAZSKGES-UHFFFAOYSA-N -1 1 370.452 3.312 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1c(F)cccc1Cl ZINC000768845524 723669268 /nfs/dbraw/zinc/66/92/68/723669268.db2.gz FDKYPKZLZHPRMG-SSDOTTSWSA-N -1 1 364.807 3.488 20 5 FGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000769630897 723690961 /nfs/dbraw/zinc/69/09/61/723690961.db2.gz NFTXERWNBVGNMY-UHFFFAOYSA-N -1 1 368.798 3.388 20 5 FGBDMM CCCOc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(C)c1 ZINC000788916114 725095821 /nfs/dbraw/zinc/09/58/21/725095821.db2.gz CYQDYKPAQRMYTR-UHFFFAOYSA-N -1 1 370.452 3.232 20 5 FGBDMM Cc1cnc([C@@H](C)[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)s1 ZINC000848588200 731186000 /nfs/dbraw/zinc/18/60/00/731186000.db2.gz QMOITEVPIOBESN-SECBINFHSA-N -1 1 357.338 3.209 20 5 FGBDMM CC(C)N(CCC(=O)[O-])Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000901980521 743691185 /nfs/dbraw/zinc/69/11/85/743691185.db2.gz NAIFGQMCIHRQDH-UHFFFAOYSA-N -1 1 351.222 3.104 20 5 FGBDMM COc1cccc(Cc2cnc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)s2)c1 ZINC000918628606 758347278 /nfs/dbraw/zinc/34/72/78/758347278.db2.gz PQHRKHCRWDBPDK-UHFFFAOYSA-N -1 1 358.379 3.231 20 5 FGBDMM CCOc1cc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000568074729 505610722 /nfs/dbraw/zinc/61/07/22/505610722.db2.gz OKMFVMBUPSWWHZ-UHFFFAOYSA-N -1 1 374.393 3.089 20 5 FGBDMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005214421 493920010 /nfs/dbraw/zinc/92/00/10/493920010.db2.gz FAGBGCWSFWSOHI-UHFFFAOYSA-N -1 1 369.786 3.007 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000078309028 494275519 /nfs/dbraw/zinc/27/55/19/494275519.db2.gz PELBTTMCTUALBP-UHFFFAOYSA-N -1 1 361.423 3.304 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(Cl)cccc32)s1 ZINC000066333922 494314225 /nfs/dbraw/zinc/31/42/25/494314225.db2.gz ISVPOSJPCDZWEX-JTQLQIEISA-N -1 1 374.827 3.112 20 5 FGBDMM CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000066586201 494360777 /nfs/dbraw/zinc/36/07/77/494360777.db2.gz ZQXBSXPOPCOZTI-UHFFFAOYSA-N -1 1 370.358 3.028 20 5 FGBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000046755465 494562400 /nfs/dbraw/zinc/56/24/00/494562400.db2.gz OCGBKPHZLJGMMQ-UHFFFAOYSA-N -1 1 361.770 3.414 20 5 FGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000126828618 494846228 /nfs/dbraw/zinc/84/62/28/494846228.db2.gz JWQCELUGIVNTCN-UHFFFAOYSA-N -1 1 350.400 3.085 20 5 FGBDMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1C ZINC000179390662 495573347 /nfs/dbraw/zinc/57/33/47/495573347.db2.gz HDANTSIELPZXIC-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM CCOc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000186714009 496118542 /nfs/dbraw/zinc/11/85/42/496118542.db2.gz BRHXYVCPPSLJFO-UHFFFAOYSA-N -1 1 350.758 3.283 20 5 FGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000186758268 496137628 /nfs/dbraw/zinc/13/76/28/496137628.db2.gz HXSWMBNNKYGRRK-MRVPVSSYSA-N -1 1 355.272 3.205 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1F ZINC000187072544 496279618 /nfs/dbraw/zinc/27/96/18/496279618.db2.gz CERHIJKAYZNMQL-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(-c2cccs2)ns1 ZINC000182131075 496681593 /nfs/dbraw/zinc/68/15/93/496681593.db2.gz FQTFSBAHXAYNSY-UHFFFAOYSA-N -1 1 362.392 3.436 20 5 FGBDMM CCCCc1cc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[nH]n1 ZINC000191778367 496885800 /nfs/dbraw/zinc/88/58/00/496885800.db2.gz DBWZHKLSNKSJHP-UHFFFAOYSA-N -1 1 352.416 3.078 20 5 FGBDMM O=C(c1cc2ccccc2c2cccnc12)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000569243794 505887923 /nfs/dbraw/zinc/88/79/23/505887923.db2.gz RGISVXZOHSDFAF-AWEZNQCLSA-N -1 1 374.400 3.496 20 5 FGBDMM CN(Cc1cccc(Cl)c1Cl)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193334145 497352795 /nfs/dbraw/zinc/35/27/95/497352795.db2.gz KFZBLZTXNDYQBD-UHFFFAOYSA-N -1 1 356.165 3.274 20 5 FGBDMM Cc1noc(C)c1C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000285347973 498058303 /nfs/dbraw/zinc/05/83/03/498058303.db2.gz DIVYEIIJDXKCAF-UHFFFAOYSA-N -1 1 373.818 3.067 20 5 FGBDMM COc1cccc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000373641657 499481311 /nfs/dbraw/zinc/48/13/11/499481311.db2.gz VGEKXRRMSIHVNR-UHFFFAOYSA-N -1 1 356.378 3.408 20 5 FGBDMM C[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000396416799 499563252 /nfs/dbraw/zinc/56/32/52/499563252.db2.gz LQFUGJXEGNPSNI-CQSZACIVSA-N -1 1 355.394 3.004 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N[C@H]1CC12CC2 ZINC000425271492 500061626 /nfs/dbraw/zinc/06/16/26/500061626.db2.gz ILILVMPXLWNANH-INIZCTEOSA-N -1 1 359.407 3.360 20 5 FGBDMM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000426745005 500314420 /nfs/dbraw/zinc/31/44/20/500314420.db2.gz SEIYHNHZODQWHW-HNNXBMFYSA-N -1 1 350.758 3.172 20 5 FGBDMM Cc1ccc2nc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000427631373 500413562 /nfs/dbraw/zinc/41/35/62/500413562.db2.gz YDIUWPHQXRKVCW-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM C[C@@]1(CCc2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000434622054 500867647 /nfs/dbraw/zinc/86/76/47/500867647.db2.gz ABQCNPLKYZBYSH-LJQANCHMSA-N -1 1 355.394 3.180 20 5 FGBDMM Cc1ccc(F)c(-c2cc(=NC(=O)Cc3cccc([N+](=O)[O-])c3C)[nH][n-]2)c1 ZINC000444819825 500906592 /nfs/dbraw/zinc/90/65/92/500906592.db2.gz ZWWULUWYDBMQBP-UHFFFAOYSA-N -1 1 368.368 3.344 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000434971504 500917442 /nfs/dbraw/zinc/91/74/42/500917442.db2.gz BDBBBXIYSYSYRY-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000434971301 500917470 /nfs/dbraw/zinc/91/74/70/500917470.db2.gz AIJPJUPBISFTMV-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445012417 500932743 /nfs/dbraw/zinc/93/27/43/500932743.db2.gz YVRZFKFMOTYMTC-LLVKDONJSA-N -1 1 368.176 3.420 20 5 FGBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1[O-] ZINC000436529210 501149057 /nfs/dbraw/zinc/14/90/57/501149057.db2.gz ZYVRIYHSWJNXPW-UHFFFAOYSA-N -1 1 365.183 3.035 20 5 FGBDMM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc(O)cc1[O-] ZINC000436715239 501195329 /nfs/dbraw/zinc/19/53/29/501195329.db2.gz WVVTYCLVNMFMHZ-UHFFFAOYSA-N -1 1 353.128 3.021 20 5 FGBDMM Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1Cl ZINC000471113893 501925380 /nfs/dbraw/zinc/92/53/80/501925380.db2.gz CLHQOORBGYMIAK-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM Cc1c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)cc2nn1C ZINC000461342200 502076784 /nfs/dbraw/zinc/07/67/84/502076784.db2.gz HVIKESCGTYYPSZ-UHFFFAOYSA-N -1 1 374.422 3.208 20 5 FGBDMM CC(=O)c1ccc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])nc1 ZINC000486439349 502154512 /nfs/dbraw/zinc/15/45/12/502154512.db2.gz RLLGOKDTWLGNHC-UHFFFAOYSA-N -1 1 370.184 3.269 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000479129249 502171614 /nfs/dbraw/zinc/17/16/14/502171614.db2.gz IUCFYUJOYMDBIT-UHFFFAOYSA-N -1 1 365.392 3.014 20 5 FGBDMM C=Cc1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000462125050 502315831 /nfs/dbraw/zinc/31/58/31/502315831.db2.gz XWSKLZOZJNAXND-UHFFFAOYSA-N -1 1 366.826 3.412 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc2[nH]ncc21 ZINC000480228171 502506879 /nfs/dbraw/zinc/50/68/79/502506879.db2.gz SFGZOBMSSARAJY-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM O=C([N-]c1nnc(C2CC2)s1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599104370 506323896 /nfs/dbraw/zinc/32/38/96/506323896.db2.gz BDZWZVBHWUBFHD-UHFFFAOYSA-N -1 1 369.200 3.339 20 5 FGBDMM COc1cc(C)c(Br)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000463034339 502669310 /nfs/dbraw/zinc/66/93/10/502669310.db2.gz FBKBPMMAYSZQCH-UHFFFAOYSA-N -1 1 354.160 3.255 20 5 FGBDMM COCCc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000473775699 502704146 /nfs/dbraw/zinc/70/41/46/502704146.db2.gz YCZDLORNOWZWSN-UHFFFAOYSA-N -1 1 364.423 3.201 20 5 FGBDMM O=C(Cc1cccs1)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000500852475 502878209 /nfs/dbraw/zinc/87/82/09/502878209.db2.gz SJMSNJKCZDSCEK-UHFFFAOYSA-N -1 1 370.390 3.418 20 5 FGBDMM CC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1F ZINC000507619221 503333646 /nfs/dbraw/zinc/33/36/46/503333646.db2.gz VKJULZAYSDEASE-UHFFFAOYSA-N -1 1 352.343 3.046 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000493103575 503406886 /nfs/dbraw/zinc/40/68/86/503406886.db2.gz GLJOBIFDKFZRFT-UHFFFAOYSA-N -1 1 364.427 3.393 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[nH]nc1-c1ccccc1 ZINC000536892573 503751376 /nfs/dbraw/zinc/75/13/76/503751376.db2.gz GMZGHYWQBSFVFJ-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM Cc1nc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)[n-]c(=O)c1C ZINC000540716174 503867742 /nfs/dbraw/zinc/86/77/42/503867742.db2.gz BAYCYJKIUKQPPQ-LLVKDONJSA-N -1 1 362.411 3.135 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(Oc4ncccn4)cc3)no2)[n-]1 ZINC000544706005 504228121 /nfs/dbraw/zinc/22/81/21/504228121.db2.gz XOMBLENMHOUKGP-UHFFFAOYSA-N -1 1 364.321 3.146 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC000541800313 504258943 /nfs/dbraw/zinc/25/89/43/504258943.db2.gz WSCOLIYQMQDSNE-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM O=C(Cc1cccc([N+](=O)[O-])c1)N=c1cc(-c2ccc(Cl)s2)[n-][nH]1 ZINC000536042723 504615421 /nfs/dbraw/zinc/61/54/21/504615421.db2.gz XYMSQDWGKQHTFQ-UHFFFAOYSA-N -1 1 362.798 3.303 20 5 FGBDMM COc1ccccc1[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])N(C)C ZINC000566294427 505136880 /nfs/dbraw/zinc/13/68/80/505136880.db2.gz ZNTBBNLUNBHGRI-INIZCTEOSA-N -1 1 359.382 3.016 20 5 FGBDMM O=C(Nc1c([O-])cccc1Cl)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000560822345 505194062 /nfs/dbraw/zinc/19/40/62/505194062.db2.gz LWLUBVDTAFTQTF-UHFFFAOYSA-N -1 1 358.741 3.392 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000603980980 506679652 /nfs/dbraw/zinc/67/96/52/506679652.db2.gz DHAJEBMNDUGBTN-UHFFFAOYSA-N -1 1 356.787 3.448 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC(OCc3ccccc3)CC2)c1 ZINC000593735156 506754553 /nfs/dbraw/zinc/75/45/53/506754553.db2.gz SFUGCCPUKWYNBI-UHFFFAOYSA-N -1 1 370.405 3.474 20 5 FGBDMM CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743546 506757414 /nfs/dbraw/zinc/75/74/14/506757414.db2.gz IYHUPSDJHZVKCN-HZPDHXFCSA-N -1 1 350.415 3.319 20 5 FGBDMM CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743546 506757417 /nfs/dbraw/zinc/75/74/17/506757417.db2.gz IYHUPSDJHZVKCN-HZPDHXFCSA-N -1 1 350.415 3.319 20 5 FGBDMM CCC(CC)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000609199197 506811691 /nfs/dbraw/zinc/81/16/91/506811691.db2.gz LMSFZEFTKZCCSA-UHFFFAOYSA-N -1 1 365.249 3.072 20 5 FGBDMM CO[C@H](C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-])C1CC1 ZINC000593947894 506841601 /nfs/dbraw/zinc/84/16/01/506841601.db2.gz CRHROMVSHVIFKS-FUHWJXTLSA-N -1 1 374.393 3.213 20 5 FGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(CCC(C)C)s2)c1 ZINC000597871100 507145516 /nfs/dbraw/zinc/14/55/16/507145516.db2.gz WAKNUMUPKJNTBZ-UHFFFAOYSA-N -1 1 350.400 3.296 20 5 FGBDMM C[C@@H](CC(C)(C)c1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262048 507165474 /nfs/dbraw/zinc/16/54/74/507165474.db2.gz UFNBYMMHKWZUGS-ZDUSSCGKSA-N -1 1 363.439 3.025 20 5 FGBDMM CCSc1ccc([C@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000610263047 507167393 /nfs/dbraw/zinc/16/73/93/507167393.db2.gz KNIBJSFFKXWIJV-NSHDSACASA-N -1 1 367.452 3.141 20 5 FGBDMM CC(C)c1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])CC2 ZINC000594770255 507275872 /nfs/dbraw/zinc/27/58/72/507275872.db2.gz FHQULGOADOETOH-HNNXBMFYSA-N -1 1 361.423 3.079 20 5 FGBDMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000610705548 507356459 /nfs/dbraw/zinc/35/64/59/507356459.db2.gz BGRPNLLNVYMJDB-UHFFFAOYSA-N -1 1 358.354 3.429 20 5 FGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000601963666 507530291 /nfs/dbraw/zinc/53/02/91/507530291.db2.gz LCESNXNDUVUAJG-MRXNPFEDSA-N -1 1 360.341 3.085 20 5 FGBDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000592353116 507613178 /nfs/dbraw/zinc/61/31/78/507613178.db2.gz UVPFEGNZNQFVSP-HNNXBMFYSA-N -1 1 356.444 3.059 20 5 FGBDMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000822427202 599125781 /nfs/dbraw/zinc/12/57/81/599125781.db2.gz FDSKPNNNXDCVBJ-VIFPVBQESA-N -1 1 357.399 3.035 20 5 FGBDMM O=C([O-])C[C@H]1CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000821517338 598151694 /nfs/dbraw/zinc/15/16/94/598151694.db2.gz ZNPPECVOTXCOEG-SNVBAGLBSA-N -1 1 357.204 3.044 20 5 FGBDMM CC[C@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820927130 606479013 /nfs/dbraw/zinc/47/90/13/606479013.db2.gz ZJBOSXSGGKGTDO-VIFPVBQESA-N -1 1 365.806 3.448 20 5 FGBDMM CC[C@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1cccc([N+](=O)[O-])c1 ZINC000820927130 606479014 /nfs/dbraw/zinc/47/90/14/606479014.db2.gz ZJBOSXSGGKGTDO-VIFPVBQESA-N -1 1 365.806 3.448 20 5 FGBDMM COCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000026547314 695685129 /nfs/dbraw/zinc/68/51/29/695685129.db2.gz AQOHBTZWBCRVIU-UHFFFAOYSA-N -1 1 356.787 3.195 20 5 FGBDMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000126156877 700744504 /nfs/dbraw/zinc/74/45/04/700744504.db2.gz RSZAZASAGSGUHH-UHFFFAOYSA-N -1 1 369.830 3.423 20 5 FGBDMM Cc1cc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C)s1 ZINC000194342817 713519254 /nfs/dbraw/zinc/51/92/54/713519254.db2.gz ZZKTZGSTTYFGMY-VIFPVBQESA-N -1 1 358.416 3.452 20 5 FGBDMM O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076897 724445675 /nfs/dbraw/zinc/44/56/75/724445675.db2.gz YIIUHRDJKUICDQ-UHFFFAOYSA-N -1 1 363.194 3.353 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)cc1[N+](=O)[O-] ZINC000780402904 724462708 /nfs/dbraw/zinc/46/27/08/724462708.db2.gz XGHGEONYDNYFEF-UHFFFAOYSA-N -1 1 358.322 3.342 20 5 FGBDMM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725826911 722423936 /nfs/dbraw/zinc/42/39/36/722423936.db2.gz HEMMXXVTWTZKIZ-SNVBAGLBSA-N -1 1 372.805 3.297 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(F)c(F)c1 ZINC000725826639 722423963 /nfs/dbraw/zinc/42/39/63/722423963.db2.gz HMPOIKONQWIVNG-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000728591070 722452916 /nfs/dbraw/zinc/45/29/16/722452916.db2.gz ORVQOXOTQXUKBN-UHFFFAOYSA-N -1 1 366.414 3.298 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)ccc1[N+](=O)[O-] ZINC000734740792 722509577 /nfs/dbraw/zinc/50/95/77/722509577.db2.gz SNHAJYFEUFIPMG-UHFFFAOYSA-N -1 1 361.423 3.304 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000742318974 722555239 /nfs/dbraw/zinc/55/52/39/722555239.db2.gz LREYCLOZZDQXKW-NTZNESFSSA-N -1 1 358.847 3.495 20 5 FGBDMM O=C([N-]c1nnc(-c2ccccn2)s1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000749920303 722747784 /nfs/dbraw/zinc/74/77/84/722747784.db2.gz QRBBESWQQMULMX-UHFFFAOYSA-N -1 1 361.770 3.414 20 5 FGBDMM COc1ccc([N-]C(=O)c2scnc2Br)c([N+](=O)[O-])c1 ZINC000754032039 722923863 /nfs/dbraw/zinc/92/38/63/722923863.db2.gz ZSMRZCIUEQCIAP-UHFFFAOYSA-N -1 1 358.173 3.075 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2cccc3cccnc32)c(F)ccc1[N+](=O)[O-] ZINC000800052316 724136593 /nfs/dbraw/zinc/13/65/93/724136593.db2.gz PXZVNMFPUCUSRD-UHFFFAOYSA-N -1 1 361.354 3.391 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc2ncsc2c1 ZINC000776785788 724182958 /nfs/dbraw/zinc/18/29/58/724182958.db2.gz PCIBIJLATBFSDV-QMMMGPOBSA-N -1 1 369.449 3.306 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000814284703 726953706 /nfs/dbraw/zinc/95/37/06/726953706.db2.gz AEPQKQWXIUEHFV-AULYBMBSSA-N -1 1 368.361 3.098 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000815000193 727018127 /nfs/dbraw/zinc/01/81/27/727018127.db2.gz SOHYLFNBIVTVCI-GWCFXTLKSA-N -1 1 370.789 3.222 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCSC[C@H]1c1ccccc1 ZINC000921639502 758761020 /nfs/dbraw/zinc/76/10/20/758761020.db2.gz COINCDINMPLQHC-HNNXBMFYSA-N -1 1 359.407 3.016 20 5 FGBDMM CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039712 211362635 /nfs/dbraw/zinc/36/26/35/211362635.db2.gz YVGNHCMTBLIOND-VIFPVBQESA-N -1 1 365.249 3.070 20 5 FGBDMM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(O)c(Br)c1 ZINC000052507690 494032794 /nfs/dbraw/zinc/03/27/94/494032794.db2.gz BXGWTXYFOWXUNF-HNQUOIGGSA-N -1 1 365.139 3.327 20 5 FGBDMM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1OC ZINC000580178954 505697315 /nfs/dbraw/zinc/69/73/15/505697315.db2.gz XRYKPLGOZYGVKN-UHFFFAOYSA-N -1 1 374.349 3.163 20 5 FGBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc2ccccc2cc1[O-] ZINC000009916562 494136239 /nfs/dbraw/zinc/13/62/39/494136239.db2.gz OVSOEAHKXZRFFL-UHFFFAOYSA-N -1 1 351.362 3.296 20 5 FGBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000133718865 495051208 /nfs/dbraw/zinc/05/12/08/495051208.db2.gz DCUVHIUTVKCLFC-UHFFFAOYSA-N -1 1 351.313 3.222 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1c(C)noc1C ZINC000119315519 495140518 /nfs/dbraw/zinc/14/05/18/495140518.db2.gz RHLSETBBSBMCHB-LLVKDONJSA-N -1 1 373.818 3.283 20 5 FGBDMM C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000130511347 495403705 /nfs/dbraw/zinc/40/37/05/495403705.db2.gz JZRDGGUEXHJKDT-OAHLLOKOSA-N -1 1 369.421 3.037 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000131004299 495478116 /nfs/dbraw/zinc/47/81/16/495478116.db2.gz YHFKCEXZUXRKIC-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM O=C([N-]c1n[nH]c(-c2ccccc2Cl)n1)c1ccc([N+](=O)[O-])cc1F ZINC000125690320 495483610 /nfs/dbraw/zinc/48/36/10/495483610.db2.gz NHZBIQZEYIRXGS-UHFFFAOYSA-N -1 1 361.720 3.425 20 5 FGBDMM Cc1ccc(Br)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000121012663 495503354 /nfs/dbraw/zinc/50/33/54/495503354.db2.gz OYADPLZBPLIPCX-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000177753161 496184237 /nfs/dbraw/zinc/18/42/37/496184237.db2.gz KOQAMMYQQOFEJO-UHFFFAOYSA-N -1 1 350.400 3.085 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000152617584 496205026 /nfs/dbraw/zinc/20/50/26/496205026.db2.gz PUYTZVNIDNDNAJ-FNORWQNLSA-N -1 1 372.362 3.471 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)c(C)c1 ZINC000184966437 496603153 /nfs/dbraw/zinc/60/31/53/496603153.db2.gz DMCUSSMUUAENQP-UHFFFAOYSA-N -1 1 373.390 3.261 20 5 FGBDMM CCc1cc(=O)[n-]c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000188104737 496684708 /nfs/dbraw/zinc/68/47/08/496684708.db2.gz CGCJMRFLUFHWDY-VIFPVBQESA-N -1 1 373.394 3.144 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1F ZINC000191565145 496814824 /nfs/dbraw/zinc/81/48/24/496814824.db2.gz OLXCPRYGIKJMQV-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM O=c1cc(C(F)(F)F)nc(SCCOc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000261410829 497411175 /nfs/dbraw/zinc/41/11/75/497411175.db2.gz SUCCXVCMMRESKD-UHFFFAOYSA-N -1 1 361.301 3.280 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000194181534 497595863 /nfs/dbraw/zinc/59/58/63/497595863.db2.gz JIJVFKKVXKQARB-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000191174910 497733999 /nfs/dbraw/zinc/73/39/99/497733999.db2.gz ATBZGNXDXSJXHO-UHFFFAOYSA-N -1 1 372.761 3.391 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000365634018 498570828 /nfs/dbraw/zinc/57/08/28/498570828.db2.gz FTNVIEHEZDYWDP-UHFFFAOYSA-N -1 1 359.769 3.278 20 5 FGBDMM CC(C)Oc1ccc(CC[C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000302968750 498634568 /nfs/dbraw/zinc/63/45/68/498634568.db2.gz NOUUTDYMIKIOCY-CYBMUJFWSA-N -1 1 373.409 3.234 20 5 FGBDMM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299125233 498970928 /nfs/dbraw/zinc/97/09/28/498970928.db2.gz HWTKYYWLOWXKGD-NSHDSACASA-N -1 1 365.773 3.386 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000370140026 499186711 /nfs/dbraw/zinc/18/67/11/499186711.db2.gz IVTUAGAUBMHVFH-UHFFFAOYSA-N -1 1 359.769 3.278 20 5 FGBDMM O=C([O-])[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000414689320 499820736 /nfs/dbraw/zinc/82/07/36/499820736.db2.gz ZRJVTRCIZZTFHL-CYBMUJFWSA-N -1 1 360.341 3.433 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1C ZINC000431147196 500341741 /nfs/dbraw/zinc/34/17/41/500341741.db2.gz BEXVWCFEVCIQEZ-UHFFFAOYSA-N -1 1 360.313 3.430 20 5 FGBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C(F)F)c2)c1 ZINC000432183079 500481326 /nfs/dbraw/zinc/48/13/26/500481326.db2.gz UVFGXDDUESJXSW-UHFFFAOYSA-N -1 1 372.305 3.031 20 5 FGBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)CC2CCCCCC2)c([N+](=O)[O-])n1 ZINC000444288803 500830098 /nfs/dbraw/zinc/83/00/98/500830098.db2.gz RCTPCWUJUQIXEF-UHFFFAOYSA-N -1 1 372.491 3.229 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(-c2ccccc2)n[nH]1 ZINC000434965951 500916714 /nfs/dbraw/zinc/91/67/14/500916714.db2.gz IJDFKKWYKIDLEO-UHFFFAOYSA-N -1 1 372.406 3.348 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436240956 501094263 /nfs/dbraw/zinc/09/42/63/501094263.db2.gz LJUJOZXKLZVFGN-UHFFFAOYSA-N -1 1 360.395 3.007 20 5 FGBDMM O=[N+]([O-])c1ccc(O)cc1CSc1n[n-]c(=NCc2ccco2)s1 ZINC000436475687 501134299 /nfs/dbraw/zinc/13/42/99/501134299.db2.gz PARPFNCEFNJXOY-UHFFFAOYSA-N -1 1 364.408 3.071 20 5 FGBDMM COc1ccc(-c2nc(CCNc3ccccc3[N+](=O)[O-])no2)c([O-])c1 ZINC000436925564 501233988 /nfs/dbraw/zinc/23/39/88/501233988.db2.gz CBFQRMNVSRYZKP-UHFFFAOYSA-N -1 1 356.338 3.014 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(C3CC3)ccc2F)s1 ZINC000451640213 501342105 /nfs/dbraw/zinc/34/21/05/501342105.db2.gz CUXHBURDJKBQPW-UHFFFAOYSA-N -1 1 356.400 3.151 20 5 FGBDMM O=C(NCC[C@H](c1ccccc1)C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000452142360 501445117 /nfs/dbraw/zinc/44/51/17/501445117.db2.gz XAXYPXJEFHWJBN-CYBMUJFWSA-N -1 1 369.299 3.161 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccccc2)cc(Br)cc1[N+](=O)[O-] ZINC000485397892 501809919 /nfs/dbraw/zinc/80/99/19/501809919.db2.gz ZMWUVTJUMHJCPD-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1C ZINC000474418673 501829444 /nfs/dbraw/zinc/82/94/44/501829444.db2.gz WNXTYYWNIDXVJA-UHFFFAOYSA-N -1 1 364.427 3.393 20 5 FGBDMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]n2)c1 ZINC000472420553 502347074 /nfs/dbraw/zinc/34/70/74/502347074.db2.gz DTMJTBLPJNMVAG-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C/C=C\c1ccccc1 ZINC000480051522 502457485 /nfs/dbraw/zinc/45/74/85/502457485.db2.gz QBCKCUFNZFTGDQ-YVMONPNESA-N -1 1 352.799 3.240 20 5 FGBDMM C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484749507 502730213 /nfs/dbraw/zinc/73/02/13/502730213.db2.gz DIZYNZIMNMXWST-MRVPVSSYSA-N -1 1 370.192 3.363 20 5 FGBDMM CCCC(C)(C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488643842 502772669 /nfs/dbraw/zinc/77/26/69/502772669.db2.gz KDPZEOPLNIEGSM-UHFFFAOYSA-N -1 1 365.249 3.214 20 5 FGBDMM COCc1c(Br)cccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000505418756 502901598 /nfs/dbraw/zinc/90/15/98/502901598.db2.gz CGIQVXZJZLPTIX-UHFFFAOYSA-N -1 1 354.160 3.084 20 5 FGBDMM O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000512468352 503561848 /nfs/dbraw/zinc/56/18/48/503561848.db2.gz LTXKPFUIQLCPAA-GXFFZTMASA-N -1 1 367.283 3.000 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2csc3ccccc23)s1 ZINC000512778781 503630040 /nfs/dbraw/zinc/63/00/40/503630040.db2.gz KJDKTMKZNMLKGC-UHFFFAOYSA-N -1 1 368.461 3.392 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OC4CCOCC4)cc3)no2)[n-]1 ZINC000547205371 504019647 /nfs/dbraw/zinc/01/96/47/504019647.db2.gz CMAANRBDHDZBQU-UHFFFAOYSA-N -1 1 356.338 3.198 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000538009305 504111088 /nfs/dbraw/zinc/11/10/88/504111088.db2.gz HLMZGWHVCCSSSK-UHFFFAOYSA-N -1 1 350.396 3.491 20 5 FGBDMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000542002485 504331687 /nfs/dbraw/zinc/33/16/87/504331687.db2.gz KUMUKCBBNDPTJJ-UHFFFAOYSA-N -1 1 366.395 3.193 20 5 FGBDMM Cc1ccc(-c2n[nH]c(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3F)n2)o1 ZINC000545870278 504620969 /nfs/dbraw/zinc/62/09/69/504620969.db2.gz RCDAIZAZXQUVOB-UHFFFAOYSA-N -1 1 373.344 3.337 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000559186096 504798396 /nfs/dbraw/zinc/79/83/96/504798396.db2.gz LJYYGYFBXYPIBF-WBVHZDCISA-N -1 1 350.321 3.198 20 5 FGBDMM C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000563190052 505070983 /nfs/dbraw/zinc/07/09/83/505070983.db2.gz LZNRBLFSKSCZJF-SFHVURJKSA-N -1 1 359.357 3.072 20 5 FGBDMM Cc1ccc(CC2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1C ZINC000557293872 505104525 /nfs/dbraw/zinc/10/45/25/505104525.db2.gz IPALSRIKQLWFDP-UHFFFAOYSA-N -1 1 369.421 3.407 20 5 FGBDMM COC(=O)c1cc(C)nc([N-]c2cnn(-c3ccccc3)c2C)c1[N+](=O)[O-] ZINC000557639308 505190351 /nfs/dbraw/zinc/19/03/51/505190351.db2.gz DQXWBTGZQXRCDE-UHFFFAOYSA-N -1 1 367.365 3.323 20 5 FGBDMM CCc1nc(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000566499088 505190884 /nfs/dbraw/zinc/19/08/84/505190884.db2.gz USRMISZVMDZEEI-UHFFFAOYSA-N -1 1 362.411 3.000 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000561041281 505235732 /nfs/dbraw/zinc/23/57/32/505235732.db2.gz NNFPCOAYEWTCBU-FQEVSTJZSA-N -1 1 356.422 3.118 20 5 FGBDMM CS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000593622482 506706426 /nfs/dbraw/zinc/70/64/26/506706426.db2.gz CWJSXHLKHZVUKP-ZYHUDNBSSA-N -1 1 364.876 3.201 20 5 FGBDMM C[C@@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609543506 506916376 /nfs/dbraw/zinc/91/63/76/506916376.db2.gz PBNLRHQYUGCJEJ-BMIGLBTASA-N -1 1 366.826 3.460 20 5 FGBDMM COc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1C ZINC000600661286 507052868 /nfs/dbraw/zinc/05/28/68/507052868.db2.gz UIXLDHRUIRJRLM-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM Cc1cn2cc([N-]S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc2n1 ZINC000610032529 507077464 /nfs/dbraw/zinc/07/74/64/507077464.db2.gz JGSHZHDUESJFPF-UHFFFAOYSA-N -1 1 366.786 3.005 20 5 FGBDMM C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[C@@H]1C(=O)[O-] ZINC000600798998 507127444 /nfs/dbraw/zinc/12/74/44/507127444.db2.gz CTBGXGBSQYNNCR-NHYWBVRUSA-N -1 1 361.423 3.261 20 5 FGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CCC1 ZINC000592098171 507483858 /nfs/dbraw/zinc/48/38/58/507483858.db2.gz FRXCMBXXDNYSDI-UHFFFAOYSA-N -1 1 367.814 3.001 20 5 FGBDMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000592353117 507613627 /nfs/dbraw/zinc/61/36/27/507613627.db2.gz UVPFEGNZNQFVSP-OAHLLOKOSA-N -1 1 356.444 3.059 20 5 FGBDMM O=[N+]([O-])c1cnc(Sc2ccc3ccccc3c2)c(-c2nn[n-]n2)c1 ZINC000823651790 599195843 /nfs/dbraw/zinc/19/58/43/599195843.db2.gz QOKRNZPKPMBUJO-UHFFFAOYSA-N -1 1 350.363 3.474 20 5 FGBDMM O=C([O-])C[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000821516086 598151423 /nfs/dbraw/zinc/15/14/23/598151423.db2.gz QTCIVHNCOUUWDN-LBPRGKRZSA-N -1 1 361.423 3.405 20 5 FGBDMM Cc1ccc([C@H](C)Nc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1[N+](=O)[O-] ZINC000822229000 606427981 /nfs/dbraw/zinc/42/79/81/606427981.db2.gz KJJSLNBNWPAQCO-VIFPVBQESA-N -1 1 359.777 3.305 20 5 FGBDMM Cc1ccc([C@H](C)Nc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1[N+](=O)[O-] ZINC000822229000 606427982 /nfs/dbraw/zinc/42/79/82/606427982.db2.gz KJJSLNBNWPAQCO-VIFPVBQESA-N -1 1 359.777 3.305 20 5 FGBDMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1cc2ccccc2c2cccnc12 ZINC000823379832 607109089 /nfs/dbraw/zinc/10/90/89/607109089.db2.gz KKIPVMNNGFXOQG-UHFFFAOYSA-N -1 1 373.401 3.277 20 5 FGBDMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1cc2ccccc2c2cccnc12 ZINC000823379832 607109091 /nfs/dbraw/zinc/10/90/91/607109091.db2.gz KKIPVMNNGFXOQG-UHFFFAOYSA-N -1 1 373.401 3.277 20 5 FGBDMM Cc1ccccc1[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826306878 607840520 /nfs/dbraw/zinc/84/05/20/607840520.db2.gz ONJDDVDGXKQIKV-INIZCTEOSA-N -1 1 350.382 3.425 20 5 FGBDMM Cc1ccccc1[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826306878 607840521 /nfs/dbraw/zinc/84/05/21/607840521.db2.gz ONJDDVDGXKQIKV-INIZCTEOSA-N -1 1 350.382 3.425 20 5 FGBDMM C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824670548 608416537 /nfs/dbraw/zinc/41/65/37/608416537.db2.gz QZIDVFTYNRFAQT-ZCFIWIBFSA-N -1 1 351.779 3.058 20 5 FGBDMM C[C@@H](Nc1snc(Cl)c1-c1nn[n-]n1)c1ccccc1[N+](=O)[O-] ZINC000824670548 608416539 /nfs/dbraw/zinc/41/65/39/608416539.db2.gz QZIDVFTYNRFAQT-ZCFIWIBFSA-N -1 1 351.779 3.058 20 5 FGBDMM Cc1nc(-c2ncccn2)sc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000077568866 700256593 /nfs/dbraw/zinc/25/65/93/700256593.db2.gz BGVJDEULVABPFP-UHFFFAOYSA-N -1 1 359.342 3.208 20 5 FGBDMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000154258277 705028081 /nfs/dbraw/zinc/02/80/81/705028081.db2.gz FGERPGYRWQDQTI-UHFFFAOYSA-N -1 1 352.343 3.046 20 5 FGBDMM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255284124 713689413 /nfs/dbraw/zinc/68/94/13/713689413.db2.gz KPGCWEJLUCNHBN-HJWRWDBZSA-N -1 1 366.370 3.293 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2Cc2ccccc2)s1 ZINC000523417080 714233248 /nfs/dbraw/zinc/23/32/48/714233248.db2.gz QBTVJBGUYPXUEH-KBPBESRZSA-N -1 1 366.464 3.346 20 5 FGBDMM O=C(CSc1cccc(Cl)c1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000726121108 722429496 /nfs/dbraw/zinc/42/94/96/722429496.db2.gz RSVJBVFODJIWSQ-UHFFFAOYSA-N -1 1 350.783 3.297 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C)ccc1[N+](=O)[O-] ZINC000734740912 722509604 /nfs/dbraw/zinc/50/96/04/722509604.db2.gz WIFRIOKVVDWBPV-UHFFFAOYSA-N -1 1 361.423 3.086 20 5 FGBDMM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000745941447 722591465 /nfs/dbraw/zinc/59/14/65/722591465.db2.gz RKKORNSXROUGBI-UHFFFAOYSA-N -1 1 374.390 3.073 20 5 FGBDMM O=C([N-]c1nc(-c2cccnc2)ns1)c1cc([N+](=O)[O-])ccc1Cl ZINC000756730938 722969213 /nfs/dbraw/zinc/96/92/13/722969213.db2.gz PHLKBQPVOIFOPF-UHFFFAOYSA-N -1 1 361.770 3.414 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc(-c3cccnc3)ns2)c1F ZINC000790897194 723190891 /nfs/dbraw/zinc/19/08/91/723190891.db2.gz WKJOFWIGJUCUMM-UHFFFAOYSA-N -1 1 359.342 3.208 20 5 FGBDMM COc1ccc([C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C(C)C)cc1 ZINC000768800144 723667547 /nfs/dbraw/zinc/66/75/47/723667547.db2.gz YQZKFEPMBKDDCX-HNNXBMFYSA-N -1 1 370.452 3.341 20 5 FGBDMM CC(C)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000768797809 723667566 /nfs/dbraw/zinc/66/75/66/723667566.db2.gz NHDWWZAJZBCQAE-AWEZNQCLSA-N -1 1 358.416 3.471 20 5 FGBDMM CC(C)OCc1ccccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768804781 723667761 /nfs/dbraw/zinc/66/77/61/723667761.db2.gz ASYOADFSZOFUSB-UHFFFAOYSA-N -1 1 370.452 3.060 20 5 FGBDMM C[C@]([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)(C1CC1)C(F)(F)F ZINC000775211954 723971555 /nfs/dbraw/zinc/97/15/55/723971555.db2.gz SWNMUAJDKPIRRU-NSHDSACASA-N -1 1 372.752 3.258 20 5 FGBDMM O=c1[n-]nc(C2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)o1 ZINC000786554046 724988802 /nfs/dbraw/zinc/98/88/02/724988802.db2.gz GTISCCXHNRAJSO-UHFFFAOYSA-N -1 1 359.169 3.374 20 5 FGBDMM Cc1occc1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810642 725270077 /nfs/dbraw/zinc/27/00/77/725270077.db2.gz GWZNTYFKQMQQPV-UHFFFAOYSA-N -1 1 365.194 3.282 20 5 FGBDMM CC(C)(C)SCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809814342 725270459 /nfs/dbraw/zinc/27/04/59/725270459.db2.gz IMOKYEJGCQDDHC-UHFFFAOYSA-N -1 1 370.855 3.197 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1F ZINC000814976028 727015665 /nfs/dbraw/zinc/01/56/65/727015665.db2.gz BVRGJRDNBOLOKO-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM CC(C)([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830679708 729581589 /nfs/dbraw/zinc/58/15/89/729581589.db2.gz HUSCOALWMLHPAA-UHFFFAOYSA-N -1 1 353.227 3.369 20 5 FGBDMM O=C([N-]c1nc2n(n1)CCCC2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000837196718 730005440 /nfs/dbraw/zinc/00/54/40/730005440.db2.gz JQSRRGSODBJWMW-UHFFFAOYSA-N -1 1 356.169 3.082 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCC2)O1 ZINC000848512259 731173476 /nfs/dbraw/zinc/17/34/76/731173476.db2.gz JHHNDLLLBLGBTL-LBPRGKRZSA-N -1 1 374.846 3.018 20 5 FGBDMM O=C([O-])CCN(Cc1cc(Br)c([N+](=O)[O-])s1)CC1CC1 ZINC000901609375 743600502 /nfs/dbraw/zinc/60/05/02/743600502.db2.gz BKADYKALFLLKCK-UHFFFAOYSA-N -1 1 363.233 3.106 20 5 FGBDMM C[C@@]1(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)CC1(Cl)Cl ZINC000903099986 743804608 /nfs/dbraw/zinc/80/46/08/743804608.db2.gz FDQRJGHNMZCLQB-JTQLQIEISA-N -1 1 357.190 3.060 20 5 FGBDMM O=C([O-])C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923227094 759085956 /nfs/dbraw/zinc/08/59/56/759085956.db2.gz KSSGYIXCPKJUDN-SNVBAGLBSA-N -1 1 357.204 3.044 20 5 FGBDMM O=C([O-])CC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000923249362 759090152 /nfs/dbraw/zinc/09/01/52/759090152.db2.gz VKILSTYGCBDTFF-LLVKDONJSA-N -1 1 371.231 3.434 20 5 FGBDMM C[C@H](CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1)C(=O)[O-] ZINC000568066100 505607593 /nfs/dbraw/zinc/60/75/93/505607593.db2.gz PGTYATFSMCAZTF-CYBMUJFWSA-N -1 1 368.393 3.194 20 5 FGBDMM COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000031722632 493957588 /nfs/dbraw/zinc/95/75/88/493957588.db2.gz ZFXZVULLULKZLX-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000055555621 494360644 /nfs/dbraw/zinc/36/06/44/494360644.db2.gz ADPGGGILRURTEH-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000122288176 494952164 /nfs/dbraw/zinc/95/21/64/494952164.db2.gz UMMXKGWJISDOKK-UHFFFAOYSA-N -1 1 360.276 3.484 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1 ZINC000134640873 495179902 /nfs/dbraw/zinc/17/99/02/495179902.db2.gz KMPNIJIMXYXLDM-LLVKDONJSA-N -1 1 374.846 3.018 20 5 FGBDMM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C2CC2)s1 ZINC000124669032 495324728 /nfs/dbraw/zinc/32/47/28/495324728.db2.gz JQLYAYJVOJPYIQ-LBPRGKRZSA-N -1 1 373.481 3.159 20 5 FGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000143386073 495533047 /nfs/dbraw/zinc/53/30/47/495533047.db2.gz UDOBLLIXGLYFLN-UHFFFAOYSA-N -1 1 362.285 3.294 20 5 FGBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Sc1ccccc1 ZINC000173782049 495690400 /nfs/dbraw/zinc/69/04/00/495690400.db2.gz RUBKVVMZZQTWSG-SNVBAGLBSA-N -1 1 358.466 3.115 20 5 FGBDMM Cc1cccc(CS(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000186615487 496073801 /nfs/dbraw/zinc/07/38/01/496073801.db2.gz KWENHUIDDXEKDF-UHFFFAOYSA-N -1 1 372.406 3.235 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1Cc1ccccc1Cl ZINC000187009475 496249746 /nfs/dbraw/zinc/24/97/46/496249746.db2.gz OMGQKHVHKDQCRI-ZDUSSCGKSA-N -1 1 361.785 3.196 20 5 FGBDMM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000184772934 496526544 /nfs/dbraw/zinc/52/65/44/496526544.db2.gz GJHLYAGJKIYYCC-UHFFFAOYSA-N -1 1 361.354 3.391 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CCOC ZINC000191891524 496922234 /nfs/dbraw/zinc/92/22/34/496922234.db2.gz QCYHFIGDEWKXHK-UHFFFAOYSA-N -1 1 364.423 3.147 20 5 FGBDMM CCc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[n-]c(=O)c1C ZINC000572424411 505965338 /nfs/dbraw/zinc/96/53/38/505965338.db2.gz GHDRWUMFHCESJM-UHFFFAOYSA-N -1 1 362.411 3.000 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1c2ccccc2CC12CCOCC2 ZINC000578555503 505966711 /nfs/dbraw/zinc/96/67/11/505966711.db2.gz KWZZIXCCKGXZCS-IBGZPJMESA-N -1 1 354.406 3.484 20 5 FGBDMM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000324015333 498824538 /nfs/dbraw/zinc/82/45/38/498824538.db2.gz KHODZPFJNUFRTH-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000581964188 506100863 /nfs/dbraw/zinc/10/08/63/506100863.db2.gz BIKUMGHPSGKVQV-JKSUJKDBSA-N -1 1 371.393 3.014 20 5 FGBDMM CC(C)CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000298975719 498931636 /nfs/dbraw/zinc/93/16/36/498931636.db2.gz MCNUSUPXFFQSKO-UHFFFAOYSA-N -1 1 364.789 3.214 20 5 FGBDMM CCOC(=O)c1cnc(C(C)=CC(C)=Cc2cccc([N+](=O)[O-])c2)[n-]c1=O ZINC000432697398 500549755 /nfs/dbraw/zinc/54/97/55/500549755.db2.gz WQFZWSZIHRCSEM-GHEQENTPSA-N -1 1 369.377 3.362 20 5 FGBDMM Cc1ccc(C2(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCC2)cc1C ZINC000447610452 500634015 /nfs/dbraw/zinc/63/40/15/500634015.db2.gz RMDYDODHGVVNRI-UHFFFAOYSA-N -1 1 355.394 3.164 20 5 FGBDMM CC(C)(C)c1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(O)c1 ZINC000443527669 500734833 /nfs/dbraw/zinc/73/48/33/500734833.db2.gz HWJBUWSURKAFAQ-UHFFFAOYSA-N -1 1 366.395 3.104 20 5 FGBDMM COc1cccc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1[N+](=O)[O-] ZINC000444408459 500844892 /nfs/dbraw/zinc/84/48/92/500844892.db2.gz AJGFEYUJEGTCSM-UHFFFAOYSA-N -1 1 372.255 3.460 20 5 FGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl ZINC000444845362 500910355 /nfs/dbraw/zinc/91/03/55/500910355.db2.gz FAWQGCGZWVVTFL-SSDOTTSWSA-N -1 1 356.165 3.493 20 5 FGBDMM COc1ccccc1[C@H](CC(C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444997867 500930902 /nfs/dbraw/zinc/93/09/02/500930902.db2.gz QBITYLOYOWOOFB-AWEZNQCLSA-N -1 1 359.382 3.221 20 5 FGBDMM O=C(NCCCc1ccc(Cl)cc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445005940 500931704 /nfs/dbraw/zinc/93/17/04/500931704.db2.gz FFYMFTOYIXCWPD-UHFFFAOYSA-N -1 1 370.192 3.365 20 5 FGBDMM Cc1c(CC(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000439788641 500938900 /nfs/dbraw/zinc/93/89/00/500938900.db2.gz IUIRFPRIIGPPRZ-UHFFFAOYSA-N -1 1 372.331 3.175 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](Cc3ccccc3)C2)s1 ZINC000445705859 501022310 /nfs/dbraw/zinc/02/23/10/501022310.db2.gz XQCKARQNQDVVOC-KBPBESRZSA-N -1 1 366.464 3.346 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000465473053 502272423 /nfs/dbraw/zinc/27/24/23/502272423.db2.gz KIZWVUPFUWGSLV-UHFFFAOYSA-N -1 1 357.341 3.154 20 5 FGBDMM Cc1ccc(SC[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000472701096 502422129 /nfs/dbraw/zinc/42/21/29/502422129.db2.gz GDRAKDIXCCGOQZ-NSHDSACASA-N -1 1 372.493 3.424 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CCCCC1 ZINC000462493672 502463963 /nfs/dbraw/zinc/46/39/63/502463963.db2.gz XZPXSMFUMVIROM-WCQYABFASA-N -1 1 358.847 3.495 20 5 FGBDMM Cc1ccc(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)cc1[N+](=O)[O-] ZINC000473649813 502667757 /nfs/dbraw/zinc/66/77/57/502667757.db2.gz FNWIRKYPWUZZEX-UHFFFAOYSA-N -1 1 358.304 3.246 20 5 FGBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1Cl ZINC000484818092 502746239 /nfs/dbraw/zinc/74/62/39/502746239.db2.gz HLJLSHMGSQDWJN-UHFFFAOYSA-N -1 1 367.764 3.196 20 5 FGBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000463439102 502803846 /nfs/dbraw/zinc/80/38/46/502803846.db2.gz ZDSHSRMAUFDZHI-UHFFFAOYSA-N -1 1 362.407 3.337 20 5 FGBDMM CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000588821073 506345552 /nfs/dbraw/zinc/34/55/52/506345552.db2.gz ZWFOMUHOEGZALQ-LBPRGKRZSA-N -1 1 374.397 3.001 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(C)=O)c1 ZINC000507587695 503327673 /nfs/dbraw/zinc/32/76/73/503327673.db2.gz ZZNQAKAABPKBTG-UHFFFAOYSA-N -1 1 366.370 3.300 20 5 FGBDMM CC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1F ZINC000507600309 503329535 /nfs/dbraw/zinc/32/95/35/503329535.db2.gz MFBFAHTZHQPUCP-UHFFFAOYSA-N -1 1 352.343 3.046 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc2[nH]ncc21 ZINC000499267409 503369291 /nfs/dbraw/zinc/36/92/91/503369291.db2.gz UOICYWVYMPROPW-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM Cc1cc(Cl)cc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c1O ZINC000499284445 503372728 /nfs/dbraw/zinc/37/27/28/503372728.db2.gz BTJQDUUHVQCJEM-UHFFFAOYSA-N -1 1 372.786 3.077 20 5 FGBDMM Cc1c([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]c1-c1ccccc1 ZINC000494099439 503487906 /nfs/dbraw/zinc/48/79/06/503487906.db2.gz HHZIGLKHFHALDY-UHFFFAOYSA-N -1 1 372.406 3.235 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cc(Br)ccc3F)no2)[n-]1 ZINC000546986329 503948310 /nfs/dbraw/zinc/94/83/10/503948310.db2.gz GRLSUKSDAHHSJV-UHFFFAOYSA-N -1 1 367.134 3.465 20 5 FGBDMM COc1ccc([C@H](C)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000519890427 504375492 /nfs/dbraw/zinc/37/54/92/504375492.db2.gz ZNCZQSKMKGQSAO-JTQLQIEISA-N -1 1 370.814 3.296 20 5 FGBDMM Cc1ccc([O-])c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000542461873 504499113 /nfs/dbraw/zinc/49/91/13/504499113.db2.gz OYSFDJHSAAMOOH-UHFFFAOYSA-N -1 1 352.144 3.019 20 5 FGBDMM COc1cc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000549144428 504702834 /nfs/dbraw/zinc/70/28/34/504702834.db2.gz AEGKJZFJAOWVSM-UHFFFAOYSA-N -1 1 364.785 3.277 20 5 FGBDMM COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N(C)C ZINC000556728884 504955137 /nfs/dbraw/zinc/95/51/37/504955137.db2.gz PWFFXEXWWKOUEZ-INIZCTEOSA-N -1 1 359.382 3.016 20 5 FGBDMM O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000558727789 505475098 /nfs/dbraw/zinc/47/50/98/505475098.db2.gz RYYWNTOSNIYQFR-UHFFFAOYSA-N -1 1 356.260 3.066 20 5 FGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](CCc1ccccc1)C(F)F ZINC000599416937 506448202 /nfs/dbraw/zinc/44/82/02/506448202.db2.gz YWRGLBCIPYDIDY-CYBMUJFWSA-N -1 1 370.377 3.140 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000609410936 506876008 /nfs/dbraw/zinc/87/60/08/506876008.db2.gz RQACNYBKHLFAEY-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000609824714 507015960 /nfs/dbraw/zinc/01/59/60/507015960.db2.gz KTHGBWWRWWQXOK-UHFFFAOYSA-N -1 1 358.416 3.052 20 5 FGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000600673640 507058173 /nfs/dbraw/zinc/05/81/73/507058173.db2.gz GTKSENQCCUDUJN-ULQDDVLXSA-N -1 1 362.426 3.457 20 5 FGBDMM Cc1ccccc1[C@H](CC(C)C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263657 507167363 /nfs/dbraw/zinc/16/73/63/507167363.db2.gz RAZGNUAWMWVRNZ-HNNXBMFYSA-N -1 1 363.439 3.364 20 5 FGBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000611101241 507516979 /nfs/dbraw/zinc/51/69/79/507516979.db2.gz HLSDACCNFOWETO-UHFFFAOYSA-N -1 1 361.785 3.448 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(-c2ccccc2)o1 ZINC000823624730 606700328 /nfs/dbraw/zinc/70/03/28/606700328.db2.gz HKIQXNAFHPYIRS-UHFFFAOYSA-N -1 1 363.337 3.042 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(-c2ccccc2)o1 ZINC000823624730 606700329 /nfs/dbraw/zinc/70/03/29/606700329.db2.gz HKIQXNAFHPYIRS-UHFFFAOYSA-N -1 1 363.337 3.042 20 5 FGBDMM CC[C@@H](Cc1ccc(Cl)cc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820915178 606710366 /nfs/dbraw/zinc/71/03/66/606710366.db2.gz SRIDOIYASQZXCD-LBPRGKRZSA-N -1 1 373.804 3.257 20 5 FGBDMM CC[C@@H](Cc1ccc(Cl)cc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820915178 606710367 /nfs/dbraw/zinc/71/03/67/606710367.db2.gz SRIDOIYASQZXCD-LBPRGKRZSA-N -1 1 373.804 3.257 20 5 FGBDMM CCSCc1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821462294 606712355 /nfs/dbraw/zinc/71/23/55/606712355.db2.gz YWVYJVRCYNATJD-UHFFFAOYSA-N -1 1 357.399 3.167 20 5 FGBDMM CCSCc1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821462294 606712356 /nfs/dbraw/zinc/71/23/56/606712356.db2.gz YWVYJVRCYNATJD-UHFFFAOYSA-N -1 1 357.399 3.167 20 5 FGBDMM CCC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525702863 714370053 /nfs/dbraw/zinc/37/00/53/714370053.db2.gz PDXGRWIDYYRSHH-HNNXBMFYSA-N -1 1 363.439 3.070 20 5 FGBDMM O=C(OCc1ccc(Br)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071259 724445255 /nfs/dbraw/zinc/44/52/55/724445255.db2.gz FOHKRZLBPWZVOJ-UHFFFAOYSA-N -1 1 358.169 3.481 20 5 FGBDMM O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([O-])c(Cl)c1 ZINC000781682068 724586457 /nfs/dbraw/zinc/58/64/57/724586457.db2.gz MYDIPVYVJQTQKI-UHFFFAOYSA-N -1 1 365.729 3.433 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1 ZINC000725815419 722423194 /nfs/dbraw/zinc/42/31/94/722423194.db2.gz GFQUVQMORLHQBU-UHFFFAOYSA-N -1 1 361.206 3.380 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCc2ccccc2C1 ZINC000725818491 722423415 /nfs/dbraw/zinc/42/34/15/722423415.db2.gz OYETWCIXJJXEEI-AWEZNQCLSA-N -1 1 366.826 3.084 20 5 FGBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C)c1 ZINC000725823772 722423733 /nfs/dbraw/zinc/42/37/33/722423733.db2.gz CIHBYVBCNNOGHP-UHFFFAOYSA-N -1 1 354.815 3.344 20 5 FGBDMM CCN1CCc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc21 ZINC000728017272 722449498 /nfs/dbraw/zinc/44/94/98/722449498.db2.gz MSNAVNUABYKSOY-UHFFFAOYSA-N -1 1 361.423 3.086 20 5 FGBDMM CCOC(=O)c1cc(C(=O)Nc2ccc([O-])c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000732306766 722483677 /nfs/dbraw/zinc/48/36/77/722483677.db2.gz SNGOVORUMBBHAL-UHFFFAOYSA-N -1 1 364.741 3.383 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000734155976 722504829 /nfs/dbraw/zinc/50/48/29/722504829.db2.gz INLVKAYGYXSTBX-SNVBAGLBSA-N -1 1 363.420 3.244 20 5 FGBDMM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000735317735 722515250 /nfs/dbraw/zinc/51/52/50/722515250.db2.gz NWJOOMQLCKNBFD-GHMZBOCLSA-N -1 1 364.876 3.201 20 5 FGBDMM CCCCC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(C)(C)C ZINC000754804266 722946049 /nfs/dbraw/zinc/94/60/49/722946049.db2.gz GKFVEKAQZYHXLG-CYBMUJFWSA-N -1 1 360.480 3.085 20 5 FGBDMM CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC000761840797 723189673 /nfs/dbraw/zinc/18/96/73/723189673.db2.gz AQCNONRFOZHXGB-UHFFFAOYSA-N -1 1 372.834 3.361 20 5 FGBDMM CCCCOc1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768806643 723667772 /nfs/dbraw/zinc/66/77/72/723667772.db2.gz DFADDMDXHHRMMI-UHFFFAOYSA-N -1 1 370.452 3.314 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1(Cc2ccccc2)CC1 ZINC000772992449 723774093 /nfs/dbraw/zinc/77/40/93/723774093.db2.gz YTAMXCXRYPGKJJ-UHFFFAOYSA-N -1 1 366.826 3.302 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000798247577 723918373 /nfs/dbraw/zinc/91/83/73/723918373.db2.gz XIJLBFJRRKXTHP-UHFFFAOYSA-N -1 1 366.704 3.466 20 5 FGBDMM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000798470047 723935018 /nfs/dbraw/zinc/93/50/18/723935018.db2.gz SBRXQTUEYZSJGQ-JOCQHMNTSA-N -1 1 364.398 3.267 20 5 FGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000777934614 724272715 /nfs/dbraw/zinc/27/27/15/724272715.db2.gz SNTNFRAFFKGCRI-UHFFFAOYSA-N -1 1 370.770 3.086 20 5 FGBDMM CSCCCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809833917 725272130 /nfs/dbraw/zinc/27/21/30/725272130.db2.gz QMRIEUGAMDIGJP-UHFFFAOYSA-N -1 1 370.855 3.199 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1 ZINC000815000200 727018419 /nfs/dbraw/zinc/01/84/19/727018419.db2.gz SOHYLFNBIVTVCI-GXFFZTMASA-N -1 1 370.789 3.222 20 5 FGBDMM C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000828383008 729442949 /nfs/dbraw/zinc/44/29/49/729442949.db2.gz ZMAKGLDNCVNWDX-HZGVNTEJSA-N -1 1 371.267 3.074 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000841548105 730255175 /nfs/dbraw/zinc/25/51/75/730255175.db2.gz GCEFXVURYZPFEJ-UHFFFAOYSA-N -1 1 368.789 3.350 20 5 FGBDMM CC(C)c1csc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000845328287 730833832 /nfs/dbraw/zinc/83/38/32/730833832.db2.gz QADKSXCTMSXSTH-UHFFFAOYSA-N -1 1 365.436 3.223 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000848509892 731173142 /nfs/dbraw/zinc/17/31/42/731173142.db2.gz MQRPAVIPIPMDIJ-VIFPVBQESA-N -1 1 366.361 3.226 20 5 FGBDMM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000849304363 731244993 /nfs/dbraw/zinc/24/49/93/731244993.db2.gz QSPOZLSPYJKJFP-NSHDSACASA-N -1 1 365.411 3.155 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H]1CC1(Cl)Cl ZINC000856748994 732053186 /nfs/dbraw/zinc/05/31/86/732053186.db2.gz BDYVVCLVRMZZSY-SSDOTTSWSA-N -1 1 373.645 3.110 20 5 FGBDMM Cc1ccc([C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C2CC2)cc1 ZINC000918194089 758315487 /nfs/dbraw/zinc/31/54/87/758315487.db2.gz LJWABPLTOQVRLN-INIZCTEOSA-N -1 1 364.398 3.472 20 5 FGBDMM C/C=C\c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000580001198 505659248 /nfs/dbraw/zinc/65/92/48/505659248.db2.gz QSXBYVKIZQLZHY-IHWYPQMZSA-N -1 1 362.363 3.127 20 5 FGBDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000007362314 494017936 /nfs/dbraw/zinc/01/79/36/494017936.db2.gz JCIJFYROKJVLLY-UHFFFAOYSA-N -1 1 369.786 3.007 20 5 FGBDMM O=C(Nc1cc(Cl)ccc1[O-])c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000109127130 494835411 /nfs/dbraw/zinc/83/54/11/494835411.db2.gz ICLIQOOAJAJEKI-UHFFFAOYSA-N -1 1 358.741 3.392 20 5 FGBDMM COc1ccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000127016772 494880660 /nfs/dbraw/zinc/88/06/60/494880660.db2.gz DYSWHAULXJHKGK-UHFFFAOYSA-N -1 1 361.301 3.410 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C3CCCC3)n[nH]2)c1C ZINC000152569059 496190769 /nfs/dbraw/zinc/19/07/69/496190769.db2.gz YZRHRLRFNOYAHQ-UHFFFAOYSA-N -1 1 364.427 3.393 20 5 FGBDMM Cc1c(Br)cc(C(=O)Nc2ccncc2[O-])cc1[N+](=O)[O-] ZINC000156446323 496248126 /nfs/dbraw/zinc/24/81/26/496248126.db2.gz QDJWEQKNJNNOAM-UHFFFAOYSA-N -1 1 352.144 3.019 20 5 FGBDMM O=C(N[C@@H](Cc1ccccc1)c1cccs1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187101364 496293352 /nfs/dbraw/zinc/29/33/52/496293352.db2.gz RCIYYVPOFJVJIR-AWEZNQCLSA-N -1 1 369.402 3.471 20 5 FGBDMM O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181935194 496604894 /nfs/dbraw/zinc/60/48/94/496604894.db2.gz RZJUBVAAZZYTKL-MRXNPFEDSA-N -1 1 368.349 3.281 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1cccc(F)c1 ZINC000194035868 497553773 /nfs/dbraw/zinc/55/37/73/497553773.db2.gz KBOIAMMNCNEEDH-WCQYABFASA-N -1 1 370.789 3.222 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000285960620 498253944 /nfs/dbraw/zinc/25/39/44/498253944.db2.gz AOGUINHNXQTGKI-ARFHVFGLSA-N -1 1 353.378 3.104 20 5 FGBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc2[nH]cnc2cc1F ZINC000578868995 506040869 /nfs/dbraw/zinc/04/08/69/506040869.db2.gz NWSMFJIGQTYKIK-UHFFFAOYSA-N -1 1 350.693 3.222 20 5 FGBDMM Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299336405 499028134 /nfs/dbraw/zinc/02/81/34/499028134.db2.gz DBOKFYKCWRVCNL-LBPRGKRZSA-N -1 1 370.409 3.356 20 5 FGBDMM CCn1ncc2ccc([N-]S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3C)cc21 ZINC000573195117 506140205 /nfs/dbraw/zinc/14/02/05/506140205.db2.gz VRIAODKVMJWBRP-UHFFFAOYSA-N -1 1 374.422 3.382 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000412667639 499874071 /nfs/dbraw/zinc/87/40/71/499874071.db2.gz HUQQKAAJOLQJQK-OAHLLOKOSA-N -1 1 353.378 3.105 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)c([N+](=O)[O-])c1 ZINC000431635612 500400954 /nfs/dbraw/zinc/40/09/54/500400954.db2.gz LKOGOXAHTAMCKF-CQSZACIVSA-N -1 1 356.350 3.188 20 5 FGBDMM O=C([N-]c1nc2ccc(F)cn2n1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000570639212 506209021 /nfs/dbraw/zinc/20/90/21/506209021.db2.gz AXQTZLUUSSYRMN-UHFFFAOYSA-N -1 1 369.234 3.048 20 5 FGBDMM CCOCc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000438726208 500815743 /nfs/dbraw/zinc/81/57/43/500815743.db2.gz TXFJWAOFEZDRDB-UHFFFAOYSA-N -1 1 350.396 3.241 20 5 FGBDMM O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2ccccc2c1[O-] ZINC000444648270 500873252 /nfs/dbraw/zinc/87/32/52/500873252.db2.gz XWUHXKSXLZUILE-UHFFFAOYSA-N -1 1 362.345 3.260 20 5 FGBDMM CC[C@@H](C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000445177486 500952027 /nfs/dbraw/zinc/95/20/27/500952027.db2.gz WKFWXVFYBULLET-MEBBXXQBSA-N -1 1 369.381 3.089 20 5 FGBDMM O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445186655 500953227 /nfs/dbraw/zinc/95/32/27/500953227.db2.gz SDOSISHCNAKXAZ-ZYHUDNBSSA-N -1 1 367.283 3.000 20 5 FGBDMM Cc1sc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000445697866 501021157 /nfs/dbraw/zinc/02/11/57/501021157.db2.gz UZRKOYOBCXRMHG-QMMMGPOBSA-N -1 1 360.379 3.220 20 5 FGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000446375803 501113203 /nfs/dbraw/zinc/11/32/03/501113203.db2.gz DFPUKXGURXSDMI-ZETCQYMHSA-N -1 1 356.165 3.493 20 5 FGBDMM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000476952262 502632040 /nfs/dbraw/zinc/63/20/40/502632040.db2.gz NRKXYSVMLVVSNZ-SECBINFHSA-N -1 1 360.844 3.219 20 5 FGBDMM COc1ccc(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000500857175 502879091 /nfs/dbraw/zinc/87/90/91/502879091.db2.gz GGTXPNSBSDXGHG-UHFFFAOYSA-N -1 1 358.379 3.038 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC=C(c2cccc3ccccc32)C1 ZINC000507361173 503284929 /nfs/dbraw/zinc/28/49/29/503284929.db2.gz MIIUUQZEVKVRQN-UHFFFAOYSA-N -1 1 361.357 3.388 20 5 FGBDMM CC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000507923895 503397190 /nfs/dbraw/zinc/39/71/90/503397190.db2.gz ZBHBULAOKAKMEL-UHFFFAOYSA-N -1 1 366.826 3.084 20 5 FGBDMM Cc1cc([N-]c2ncc([N+](=O)[O-])cc2Br)nn1[C@H](C)C1CC1 ZINC000542260993 504427783 /nfs/dbraw/zinc/42/77/83/504427783.db2.gz AQPIBAMQZXBUKM-SECBINFHSA-N -1 1 366.219 3.394 20 5 FGBDMM C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C(=O)[O-] ZINC000521043818 504635634 /nfs/dbraw/zinc/63/56/34/504635634.db2.gz KQHWYQXQARIIAB-IAQYHMDHSA-N -1 1 361.423 3.261 20 5 FGBDMM C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C(=O)[O-] ZINC000521043820 504636380 /nfs/dbraw/zinc/63/63/80/504636380.db2.gz KQHWYQXQARIIAB-XHDPSFHLSA-N -1 1 361.423 3.261 20 5 FGBDMM COC(=O)c1cc(C)nc([N-]c2cnn(C3CCCC3)c2C)c1[N+](=O)[O-] ZINC000553568592 504950787 /nfs/dbraw/zinc/95/07/87/504950787.db2.gz MYGPGAHVYHVRJG-UHFFFAOYSA-N -1 1 359.386 3.448 20 5 FGBDMM Cc1cc(I)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000604032837 506692583 /nfs/dbraw/zinc/69/25/83/506692583.db2.gz VIEDEPVDGJZVEM-UHFFFAOYSA-N -1 1 371.134 3.088 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC2(CCc3ccccc3C2)CC1 ZINC000593897201 506825261 /nfs/dbraw/zinc/82/52/61/506825261.db2.gz CNADZRNNYLWRBO-UHFFFAOYSA-N -1 1 367.405 3.107 20 5 FGBDMM O=C(c1ccc([O-])c(F)c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000613510504 507126446 /nfs/dbraw/zinc/12/64/46/507126446.db2.gz TZLWMBXPPDFWQG-UHFFFAOYSA-N -1 1 360.341 3.123 20 5 FGBDMM COCc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c1 ZINC000598710295 507562867 /nfs/dbraw/zinc/56/28/67/507562867.db2.gz PCRZVBIQEKXOCB-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCC[C@@H]2C[C@@H]21 ZINC000588065987 507750720 /nfs/dbraw/zinc/75/07/20/507750720.db2.gz GQJWDPXWWRYGNJ-DYVFJYSZSA-N -1 1 373.434 3.384 20 5 FGBDMM O=C([O-])N1CCC[C@@H]1[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000832006498 603568839 /nfs/dbraw/zinc/56/88/39/603568839.db2.gz SWCCAGYMJGJXPY-SWLSCSKDSA-N -1 1 374.397 3.090 20 5 FGBDMM CCCOCc1ccccc1CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821127253 606645637 /nfs/dbraw/zinc/64/56/37/606645637.db2.gz DRKBULRRAYGLGX-UHFFFAOYSA-N -1 1 368.397 3.314 20 5 FGBDMM CN(Cc1ccc(C(C)(C)C)cc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821609969 607162504 /nfs/dbraw/zinc/16/25/04/607162504.db2.gz TWVPHHAQWLIOCE-UHFFFAOYSA-N -1 1 367.413 3.104 20 5 FGBDMM CN(Cc1ccc(C(C)(C)C)cc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821609969 607162506 /nfs/dbraw/zinc/16/25/06/607162506.db2.gz TWVPHHAQWLIOCE-UHFFFAOYSA-N -1 1 367.413 3.104 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000823620224 607163469 /nfs/dbraw/zinc/16/34/69/607163469.db2.gz IIRAZGCMRIYTEO-ZDUSSCGKSA-N -1 1 371.788 3.387 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000823620224 607163470 /nfs/dbraw/zinc/16/34/70/607163470.db2.gz IIRAZGCMRIYTEO-ZDUSSCGKSA-N -1 1 371.788 3.387 20 5 FGBDMM CC(C)(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nnn[n-]2)s1 ZINC000824130493 607929044 /nfs/dbraw/zinc/92/90/44/607929044.db2.gz LCTDJMWBXFIPKD-UHFFFAOYSA-N -1 1 372.410 3.386 20 5 FGBDMM CC(C)(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2nn[n-]n2)s1 ZINC000824130493 607929045 /nfs/dbraw/zinc/92/90/45/607929045.db2.gz LCTDJMWBXFIPKD-UHFFFAOYSA-N -1 1 372.410 3.386 20 5 FGBDMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000048801721 695889451 /nfs/dbraw/zinc/88/94/51/695889451.db2.gz HYGQHAUWJAFLOR-RKDXNWHRSA-N -1 1 365.249 3.070 20 5 FGBDMM C[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)cc1F ZINC000174007932 705482153 /nfs/dbraw/zinc/48/21/53/705482153.db2.gz GLGFIQIGLXZLPX-VIFPVBQESA-N -1 1 374.340 3.094 20 5 FGBDMM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000176896178 705596253 /nfs/dbraw/zinc/59/62/53/705596253.db2.gz RXLGYHFQAHELBU-GHMZBOCLSA-N -1 1 362.448 3.077 20 5 FGBDMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1C ZINC000192710786 712871599 /nfs/dbraw/zinc/87/15/99/712871599.db2.gz SDUOBJQZIFOSNX-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000617401425 714653090 /nfs/dbraw/zinc/65/30/90/714653090.db2.gz WXDRDOLYHYTJNR-UHFFFAOYSA-N -1 1 367.155 3.324 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccncc1 ZINC000795857329 723611769 /nfs/dbraw/zinc/61/17/69/723611769.db2.gz RSYPHOCDBUNNQP-GFCCVEGCSA-N -1 1 373.793 3.212 20 5 FGBDMM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076594 724445571 /nfs/dbraw/zinc/44/55/71/724445571.db2.gz RTIUEVXHXSPCDL-UHFFFAOYSA-N -1 1 352.686 3.219 20 5 FGBDMM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000784216604 724833633 /nfs/dbraw/zinc/83/36/33/724833633.db2.gz RLSQSYIVALREGN-UHFFFAOYSA-N -1 1 352.686 3.219 20 5 FGBDMM COc1cccc([C@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000725826194 722423978 /nfs/dbraw/zinc/42/39/78/722423978.db2.gz QFUWKBRBJLOOIX-JTQLQIEISA-N -1 1 370.814 3.296 20 5 FGBDMM CC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC(F)(F)CC1 ZINC000784376152 724847969 /nfs/dbraw/zinc/84/79/69/724847969.db2.gz ZSIDBXQGEFINFH-UHFFFAOYSA-N -1 1 368.789 3.495 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N(C)C ZINC000731782423 722477987 /nfs/dbraw/zinc/47/79/87/722477987.db2.gz DJHZLZYCVUUIAA-UHFFFAOYSA-N -1 1 369.830 3.423 20 5 FGBDMM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732579969 722486226 /nfs/dbraw/zinc/48/62/26/722486226.db2.gz OMQYBKXRGSINJU-QMMMGPOBSA-N -1 1 360.757 3.321 20 5 FGBDMM O=C([N-]c1nc(C2CC2)no1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000734877075 722510864 /nfs/dbraw/zinc/51/08/64/722510864.db2.gz VDVWIQVJJZHJMV-UHFFFAOYSA-N -1 1 357.351 3.231 20 5 FGBDMM Cc1cc(C)cc(C[C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000742323313 722555368 /nfs/dbraw/zinc/55/53/68/722555368.db2.gz LMAZNQVEXHNSNP-CYBMUJFWSA-N -1 1 366.414 3.260 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000758458170 722990190 /nfs/dbraw/zinc/99/01/90/722990190.db2.gz DEVUNGKOTZPLLB-OAHLLOKOSA-N -1 1 367.814 3.073 20 5 FGBDMM O=C(Nc1ccc(F)cc1[O-])c1cccc([N+](=O)[O-])c1Br ZINC000760859836 723099441 /nfs/dbraw/zinc/09/94/41/723099441.db2.gz SVXSDMZNIBBOOI-UHFFFAOYSA-N -1 1 355.119 3.454 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(F)c([C@@H](C)O)c2)c1 ZINC000795379739 723586555 /nfs/dbraw/zinc/58/65/55/723586555.db2.gz IVOUORBHEZRCPX-LLVKDONJSA-N -1 1 368.386 3.205 20 5 FGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnn(-c2cccc(Cl)c2)n1 ZINC000776748888 724179065 /nfs/dbraw/zinc/17/90/65/724179065.db2.gz OCQULFPECCNWQI-UHFFFAOYSA-N -1 1 361.720 3.220 20 5 FGBDMM Cc1ccc(-n2cc([O-])c(C(=O)OCc3csc([N+](=O)[O-])c3)n2)cc1 ZINC000801370621 724297382 /nfs/dbraw/zinc/29/73/82/724297382.db2.gz QKSMZMYCZFZYBS-UHFFFAOYSA-N -1 1 359.363 3.213 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)cc1Cl ZINC000809810455 725270068 /nfs/dbraw/zinc/27/00/68/725270068.db2.gz YUFUMICICKWXMO-GXFFZTMASA-N -1 1 370.789 3.222 20 5 FGBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852759557 731631291 /nfs/dbraw/zinc/63/12/91/731631291.db2.gz RCZSGHJSIKSYLY-GYSYKLTISA-N -1 1 359.348 3.045 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H]1CC1(Cl)Cl ZINC000856751033 732054177 /nfs/dbraw/zinc/05/41/77/732054177.db2.gz WCVACEBOKBBIDU-SSDOTTSWSA-N -1 1 373.645 3.110 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000918194759 758315456 /nfs/dbraw/zinc/31/54/56/758315456.db2.gz VNSZBYYZYDZNKK-FRRDWIJNSA-N -1 1 356.419 3.371 20 5 FGBDMM Cc1ccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)cc1 ZINC000577000442 505642187 /nfs/dbraw/zinc/64/21/87/505642187.db2.gz LBLBLSFYRUIKEZ-UHFFFAOYSA-N -1 1 357.391 3.393 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1[N+](=O)[O-] ZINC000005126461 493914640 /nfs/dbraw/zinc/91/46/40/493914640.db2.gz MQYBPQFEKLSVAS-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OC(F)F)cc1 ZINC000032586629 493997444 /nfs/dbraw/zinc/99/74/44/493997444.db2.gz XUWBVSIZHLEBDG-UHFFFAOYSA-N -1 1 358.322 3.305 20 5 FGBDMM CCCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000032599848 493999494 /nfs/dbraw/zinc/99/94/94/493999494.db2.gz GMCMQQGYWPNTNB-UHFFFAOYSA-N -1 1 366.395 3.193 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000007323234 494015849 /nfs/dbraw/zinc/01/58/49/494015849.db2.gz XTGKSIDZUNDBIL-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)s1 ZINC000066001649 494267345 /nfs/dbraw/zinc/26/73/45/494267345.db2.gz KVYHNSSSHFGRCT-NSHDSACASA-N -1 1 358.828 3.276 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000016095735 494377402 /nfs/dbraw/zinc/37/74/02/494377402.db2.gz NWDNSKCYXDNXCB-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM COC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000074394830 494529167 /nfs/dbraw/zinc/52/91/67/494529167.db2.gz FSUVFIBDAUVUTQ-UHFFFAOYSA-N -1 1 352.368 3.487 20 5 FGBDMM O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1ccccc1OC(F)F ZINC000133418752 495011777 /nfs/dbraw/zinc/01/17/77/495011777.db2.gz RXPCRAPWVUNINS-UHFFFAOYSA-N -1 1 372.349 3.181 20 5 FGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000111666409 495093071 /nfs/dbraw/zinc/09/30/71/495093071.db2.gz IMKNACNLOGOWAR-UHFFFAOYSA-N -1 1 358.741 3.392 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000102748683 495158898 /nfs/dbraw/zinc/15/88/98/495158898.db2.gz DGNUQGCVRRVJBJ-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1(c2ccccc2F)CC1 ZINC000128941523 495171543 /nfs/dbraw/zinc/17/15/43/495171543.db2.gz VYXMRMHTEVGPCJ-UHFFFAOYSA-N -1 1 370.789 3.355 20 5 FGBDMM O=C([O-])Cc1ccc(NC[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000574403856 505765458 /nfs/dbraw/zinc/76/54/58/505765458.db2.gz KLHPPOMGIXABRP-INIZCTEOSA-N -1 1 359.382 3.064 20 5 FGBDMM Cc1csc([C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C2CC2)n1 ZINC000124664598 495324189 /nfs/dbraw/zinc/32/41/89/495324189.db2.gz RKICIDJNBYGTDN-GFCCVEGCSA-N -1 1 373.481 3.159 20 5 FGBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F ZINC000174004771 495784093 /nfs/dbraw/zinc/78/40/93/495784093.db2.gz JHCIVZYFXQRZPS-QMMMGPOBSA-N -1 1 362.379 3.017 20 5 FGBDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000187193911 496333941 /nfs/dbraw/zinc/33/39/41/496333941.db2.gz ZKGYHXOBOZMAAE-UHFFFAOYSA-N -1 1 366.370 3.032 20 5 FGBDMM Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187206467 496337678 /nfs/dbraw/zinc/33/76/78/496337678.db2.gz QUMAKYKEEFWGFB-SNVBAGLBSA-N -1 1 364.427 3.417 20 5 FGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000187947630 496628432 /nfs/dbraw/zinc/62/84/32/496628432.db2.gz RKVABEHDQJKNNN-QMMMGPOBSA-N -1 1 371.271 3.085 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000191565669 496815226 /nfs/dbraw/zinc/81/52/26/496815226.db2.gz MGGJWCKUUHVKOU-GFCCVEGCSA-N -1 1 362.407 3.336 20 5 FGBDMM Cc1nc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3C)ccc2o1 ZINC000191785514 496888621 /nfs/dbraw/zinc/88/86/21/496888621.db2.gz KEANPAQISDSAGM-UHFFFAOYSA-N -1 1 361.379 3.462 20 5 FGBDMM CC(C)c1[nH]nc(C(=O)Nc2cc(C(F)(F)F)ccc2[O-])c1[N+](=O)[O-] ZINC000269435258 496946839 /nfs/dbraw/zinc/94/68/39/496946839.db2.gz CTEJYIMXJXYKIP-UHFFFAOYSA-N -1 1 358.276 3.418 20 5 FGBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 ZINC000189921567 497293266 /nfs/dbraw/zinc/29/32/66/497293266.db2.gz RCDJRDUWWRJMFR-SECBINFHSA-N -1 1 369.299 3.248 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)cc1[N+](=O)[O-] ZINC000193127053 497309473 /nfs/dbraw/zinc/30/94/73/497309473.db2.gz ZOTUNDLKPUPEGQ-UHFFFAOYSA-N -1 1 373.390 3.261 20 5 FGBDMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000263372914 497770811 /nfs/dbraw/zinc/77/08/11/497770811.db2.gz VYJCMVSCVMKHNP-AAEUAGOBSA-N -1 1 361.423 3.403 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000282578400 498567615 /nfs/dbraw/zinc/56/76/15/498567615.db2.gz VTUBSLCCFUAEOA-RBVVOMGSSA-N -1 1 353.378 3.246 20 5 FGBDMM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC(F)(F)F ZINC000416603706 500070972 /nfs/dbraw/zinc/07/09/72/500070972.db2.gz KVUVXGHQGKWPAY-ZETCQYMHSA-N -1 1 360.741 3.115 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC(C)C ZINC000442226863 500573263 /nfs/dbraw/zinc/57/32/63/500573263.db2.gz BTSDMZRVVKOWFP-UHFFFAOYSA-N -1 1 366.395 3.191 20 5 FGBDMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000447271288 500583069 /nfs/dbraw/zinc/58/30/69/500583069.db2.gz QKGKKPDCDDNHJF-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000437294680 500625642 /nfs/dbraw/zinc/62/56/42/500625642.db2.gz RUHVLJBYYCUSOE-CMPLNLGQSA-N -1 1 368.176 3.288 20 5 FGBDMM Cc1ccc([C@H]2CCC[C@H]2N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444959554 500925462 /nfs/dbraw/zinc/92/54/62/500925462.db2.gz NGWATMZIYBJNSQ-HZPDHXFCSA-N -1 1 355.394 3.412 20 5 FGBDMM COc1ccccc1[C@@H](CC(C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444997870 500931130 /nfs/dbraw/zinc/93/11/30/500931130.db2.gz QBITYLOYOWOOFB-CQSZACIVSA-N -1 1 359.382 3.221 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000445151433 500949560 /nfs/dbraw/zinc/94/95/60/500949560.db2.gz MFINPUCPCLYKRI-GFCCVEGCSA-N -1 1 359.357 3.244 20 5 FGBDMM O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445195162 500953593 /nfs/dbraw/zinc/95/35/93/500953593.db2.gz ZPNBKFCVBVCJGI-LLVKDONJSA-N -1 1 355.272 3.119 20 5 FGBDMM O=[N+]([O-])c1cc(-c2nc(-c3ccc([O-])cc3Cl)no2)cc2c1OCO2 ZINC000445449854 500988195 /nfs/dbraw/zinc/98/81/95/500988195.db2.gz PXQMFUPJILFMSN-UHFFFAOYSA-N -1 1 361.697 3.400 20 5 FGBDMM COc1cc(-c2nc(-c3ccc([O-])cc3F)no2)cc([N+](=O)[O-])c1OC ZINC000445456720 500989377 /nfs/dbraw/zinc/98/93/77/500989377.db2.gz PVUXXJUKGJCHSG-UHFFFAOYSA-N -1 1 361.285 3.174 20 5 FGBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cccc3ccccc32)c([N+](=O)[O-])n1 ZINC000435803819 501030998 /nfs/dbraw/zinc/03/09/98/501030998.db2.gz KBOHNGLWIJNXSR-GFCCVEGCSA-N -1 1 374.422 3.004 20 5 FGBDMM O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)c1ccc([O-])cc1F ZINC000436711209 501193958 /nfs/dbraw/zinc/19/39/58/501193958.db2.gz FJXWYYWEBAKAPH-UHFFFAOYSA-N -1 1 355.119 3.454 20 5 FGBDMM Cc1ccc(CC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1C ZINC000451917969 501401301 /nfs/dbraw/zinc/40/13/01/501401301.db2.gz OHUDMVMQCCPREH-UHFFFAOYSA-N -1 1 369.421 3.407 20 5 FGBDMM COC(=O)c1cc([N-]C(=O)c2c(F)ccc(F)c2F)c(C)c([N+](=O)[O-])c1 ZINC000489765259 503028708 /nfs/dbraw/zinc/02/87/08/503028708.db2.gz XCSNWDMFWYBLIU-UHFFFAOYSA-N -1 1 368.267 3.359 20 5 FGBDMM O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507094721 503229845 /nfs/dbraw/zinc/22/98/45/503229845.db2.gz NQBLRTJPSBSQEN-UHFFFAOYSA-N -1 1 366.255 3.448 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc2[nH]ncc21 ZINC000499265864 503369274 /nfs/dbraw/zinc/36/92/74/503369274.db2.gz QLNRBKULWMJUFU-UHFFFAOYSA-N -1 1 360.395 3.197 20 5 FGBDMM CCCOc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000508245375 503462259 /nfs/dbraw/zinc/46/22/59/503462259.db2.gz CGKRLVGKYYVOCG-UHFFFAOYSA-N -1 1 366.395 3.198 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cc(Cl)c4c(c3)OCCCO4)no2)[n-]1 ZINC000544916942 504300107 /nfs/dbraw/zinc/30/01/07/504300107.db2.gz ITJOTUPYDOLNBN-UHFFFAOYSA-N -1 1 362.729 3.455 20 5 FGBDMM COCCCOc1cc(C)ccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000545052790 504342939 /nfs/dbraw/zinc/34/29/39/504342939.db2.gz UKCJIAVZDVLKEH-UHFFFAOYSA-N -1 1 358.354 3.364 20 5 FGBDMM O=C([O-])c1c(NS(=O)(=O)c2cccc3ccccc32)cccc1[N+](=O)[O-] ZINC000548216918 504370184 /nfs/dbraw/zinc/37/01/84/504370184.db2.gz IOKSYLRMTIXYLV-UHFFFAOYSA-N -1 1 372.358 3.247 20 5 FGBDMM CCOC(=O)c1ccc(NC(=O)c2cc(OCC)ccc2[N+](=O)[O-])c([O-])c1 ZINC000549038972 504663081 /nfs/dbraw/zinc/66/30/81/504663081.db2.gz GWASYGOVCMCTSV-UHFFFAOYSA-N -1 1 374.349 3.128 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000561041582 505236609 /nfs/dbraw/zinc/23/66/09/505236609.db2.gz NNFPCOAYEWTCBU-HXUWFJFHSA-N -1 1 356.422 3.118 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1c(F)cccc1F ZINC000604042403 506697110 /nfs/dbraw/zinc/69/71/10/506697110.db2.gz SKDDNGCAIRECSJ-QMMMGPOBSA-N -1 1 360.313 3.052 20 5 FGBDMM Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000609984862 507062946 /nfs/dbraw/zinc/06/29/46/507062946.db2.gz IUSPNQZZPBBPHZ-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1c([O-])cccc1F ZINC000610891514 507433682 /nfs/dbraw/zinc/43/36/82/507433682.db2.gz KRVYYKHWHYNWLU-UHFFFAOYSA-N -1 1 357.297 3.005 20 5 FGBDMM COc1ccccc1[C@@H](C)Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821882694 599067418 /nfs/dbraw/zinc/06/74/18/599067418.db2.gz IGIOHFANTFDXNT-SECBINFHSA-N -1 1 358.383 3.032 20 5 FGBDMM Cc1csc([C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C2CC2)n1 ZINC000822408909 607346808 /nfs/dbraw/zinc/34/68/08/607346808.db2.gz IKISQQCGRIOCTA-CYBMUJFWSA-N -1 1 357.399 3.103 20 5 FGBDMM Cc1cnc([C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C2CC2)s1 ZINC000822389188 606645752 /nfs/dbraw/zinc/64/57/52/606645752.db2.gz OBORWLVIBSOKEL-ZDUSSCGKSA-N -1 1 357.399 3.103 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc(Cl)c(Cl)c1 ZINC000823630089 607161735 /nfs/dbraw/zinc/16/17/35/607161735.db2.gz QVBGKIZOABRFQK-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc(Cl)c(Cl)c1 ZINC000823630089 607161737 /nfs/dbraw/zinc/16/17/37/607161737.db2.gz QVBGKIZOABRFQK-UHFFFAOYSA-N -1 1 353.125 3.269 20 5 FGBDMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000048801724 695889690 /nfs/dbraw/zinc/88/96/90/695889690.db2.gz HYGQHAUWJAFLOR-DTWKUNHWSA-N -1 1 365.249 3.070 20 5 FGBDMM CCCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)s1 ZINC000014714472 695614735 /nfs/dbraw/zinc/61/47/35/695614735.db2.gz LOPBMEQVYODYJF-UHFFFAOYSA-N -1 1 365.371 3.340 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c(C)c1O ZINC000179188670 705691523 /nfs/dbraw/zinc/69/15/23/705691523.db2.gz ZJWGAKWXELGLJX-UHFFFAOYSA-N -1 1 354.359 3.166 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000194335350 713518888 /nfs/dbraw/zinc/51/88/88/713518888.db2.gz VYYLTOPSPLBKJZ-AWEZNQCLSA-N -1 1 368.386 3.172 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2Cc2ccccc2)s1 ZINC000523417081 714233311 /nfs/dbraw/zinc/23/33/11/714233311.db2.gz QBTVJBGUYPXUEH-KGLIPLIRSA-N -1 1 366.464 3.346 20 5 FGBDMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000524031588 714264937 /nfs/dbraw/zinc/26/49/37/714264937.db2.gz INRVENYCJKKTKQ-UHFFFAOYSA-N -1 1 359.285 3.084 20 5 FGBDMM COC(=O)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000780077296 724445610 /nfs/dbraw/zinc/44/56/10/724445610.db2.gz WSTNJWWTDOTEDP-CQSZACIVSA-N -1 1 365.725 3.025 20 5 FGBDMM Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725823883 722423704 /nfs/dbraw/zinc/42/37/04/722423704.db2.gz GRSHXLJSASNQIR-LBPRGKRZSA-N -1 1 368.842 3.466 20 5 FGBDMM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725826909 722423984 /nfs/dbraw/zinc/42/39/84/722423984.db2.gz HEMMXXVTWTZKIZ-JTQLQIEISA-N -1 1 372.805 3.297 20 5 FGBDMM C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725827115 722424213 /nfs/dbraw/zinc/42/42/13/722424213.db2.gz MGNWROAAOWAEOV-SECBINFHSA-N -1 1 360.844 3.219 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCc1cccc(F)c1 ZINC000731673691 722477243 /nfs/dbraw/zinc/47/72/43/722477243.db2.gz NBFQMUJOIAWRFT-UHFFFAOYSA-N -1 1 372.805 3.298 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C/C=C/c1ccccc1 ZINC000732985286 722491144 /nfs/dbraw/zinc/49/11/44/722491144.db2.gz OEMDIESEEUQTBR-QPJJXVBHSA-N -1 1 352.799 3.240 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CSc2ccccc21 ZINC000735503162 722516973 /nfs/dbraw/zinc/51/69/73/722516973.db2.gz LGQBFUBZYZLNDR-NSHDSACASA-N -1 1 370.839 3.374 20 5 FGBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1 ZINC000736636833 722523966 /nfs/dbraw/zinc/52/39/66/722523966.db2.gz YLWZUXNXPRDLIG-OAHLLOKOSA-N -1 1 369.830 3.319 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[nH]nc1C1CC1 ZINC000760324278 723048919 /nfs/dbraw/zinc/04/89/19/723048919.db2.gz ZQYRJTCSUYPHHB-UHFFFAOYSA-N -1 1 370.818 3.266 20 5 FGBDMM Cc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1O ZINC000762456678 723245129 /nfs/dbraw/zinc/24/51/29/723245129.db2.gz VBVFSNQEVLTOBJ-UHFFFAOYSA-N -1 1 354.359 3.166 20 5 FGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1nc(Br)ccc1F ZINC000791471477 723248040 /nfs/dbraw/zinc/24/80/40/723248040.db2.gz PIOVLGXNPBRETN-UHFFFAOYSA-N -1 1 358.098 3.283 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H](C)CC(F)(F)F)c1 ZINC000766567131 723581360 /nfs/dbraw/zinc/58/13/60/723581360.db2.gz WMSQBBQSHQBNMC-ZETCQYMHSA-N -1 1 360.741 3.176 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]c1-c1ccccc1 ZINC000768864853 723670080 /nfs/dbraw/zinc/67/00/80/723670080.db2.gz VYRYZPFVFIZTBK-UHFFFAOYSA-N -1 1 364.408 3.156 20 5 FGBDMM C[C@@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768883908 723670900 /nfs/dbraw/zinc/67/09/00/723670900.db2.gz ZCPIENXMLCPGNM-BMIGLBTASA-N -1 1 352.437 3.258 20 5 FGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 ZINC000769050505 723675650 /nfs/dbraw/zinc/67/56/50/723675650.db2.gz XNCLFDSITDECQW-VIFPVBQESA-N -1 1 364.741 3.138 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCc3occc32)cc1Cl ZINC000798225719 723915789 /nfs/dbraw/zinc/91/57/89/723915789.db2.gz IHVITSOHXVMTDA-LLVKDONJSA-N -1 1 374.777 3.336 20 5 FGBDMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000800929730 724249867 /nfs/dbraw/zinc/24/98/67/724249867.db2.gz NUEDEAJXOJGYMZ-UHFFFAOYSA-N -1 1 361.354 3.391 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1 ZINC000815000205 727018384 /nfs/dbraw/zinc/01/83/84/727018384.db2.gz SOHYLFNBIVTVCI-ZWNOBZJWSA-N -1 1 370.789 3.222 20 5 FGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3onc(Cl)c3c2)ccc1F ZINC000821124523 729061460 /nfs/dbraw/zinc/06/14/60/729061460.db2.gz XJYIXIOZXSKPTJ-UHFFFAOYSA-N -1 1 371.733 3.329 20 5 FGBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CS1 ZINC000841556741 730255816 /nfs/dbraw/zinc/25/58/16/730255816.db2.gz AYACJWRUGPPQIJ-BQBZGAKWSA-N -1 1 371.267 3.074 20 5 FGBDMM Cc1ccc(CCC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C)c1 ZINC000918191481 758314356 /nfs/dbraw/zinc/31/43/56/758314356.db2.gz PJSKWILAIYEBKT-UHFFFAOYSA-N -1 1 366.414 3.262 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000918194761 758315412 /nfs/dbraw/zinc/31/54/12/758315412.db2.gz VNSZBYYZYDZNKK-JHJVBQTASA-N -1 1 356.419 3.371 20 5 FGBDMM CC(C)(CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000919950294 758492351 /nfs/dbraw/zinc/49/23/51/758492351.db2.gz DIRKJRTZMHHLLD-UHFFFAOYSA-N -1 1 366.414 3.380 20 5 FGBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000064374523 221146338 /nfs/dbraw/zinc/14/63/38/221146338.db2.gz HHTRAPXKNCCION-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000060506256 493939938 /nfs/dbraw/zinc/93/99/38/493939938.db2.gz RYZMTDBGTDMCKR-MRVPVSSYSA-N -1 1 360.313 3.052 20 5 FGBDMM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000067432493 494540506 /nfs/dbraw/zinc/54/05/06/494540506.db2.gz JCNYFNXOSNDTSI-UHFFFAOYSA-N -1 1 367.235 3.442 20 5 FGBDMM CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000117376224 494914878 /nfs/dbraw/zinc/91/48/78/494914878.db2.gz UIVJTMXBKXRNQD-NXEZZACHSA-N -1 1 364.876 3.201 20 5 FGBDMM Cc1c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)oc2ccccc12 ZINC000115582399 495519821 /nfs/dbraw/zinc/51/98/21/495519821.db2.gz ZJNZROYAWLVRQE-UHFFFAOYSA-N -1 1 352.393 3.189 20 5 FGBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F ZINC000174004787 495783942 /nfs/dbraw/zinc/78/39/42/495783942.db2.gz JHCIVZYFXQRZPS-MRVPVSSYSA-N -1 1 362.379 3.017 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c(C)c1F ZINC000181115161 496275247 /nfs/dbraw/zinc/27/52/47/496275247.db2.gz CYJVJLLEOFWGIE-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM O=C([N-]c1nc2ccc(Cl)cn2n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000157277447 496444447 /nfs/dbraw/zinc/44/44/47/496444447.db2.gz RNEDZHSXARSVCD-UHFFFAOYSA-N -1 1 352.137 3.197 20 5 FGBDMM CC[C@@H](C)c1cc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)on1 ZINC000175994044 496634959 /nfs/dbraw/zinc/63/49/59/496634959.db2.gz MOZQOXGZSMJDQP-SECBINFHSA-N -1 1 356.342 3.134 20 5 FGBDMM O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000275148779 497245624 /nfs/dbraw/zinc/24/56/24/497245624.db2.gz VIHKHKWJVPSIAL-SNVBAGLBSA-N -1 1 365.773 3.244 20 5 FGBDMM CCOc1cc(Br)c(F)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000569519354 505953645 /nfs/dbraw/zinc/95/36/45/505953645.db2.gz GYMASZRZVLMTEP-UHFFFAOYSA-N -1 1 372.150 3.476 20 5 FGBDMM CCCCc1nnc([N-]C(=O)c2cc(OCC)ccc2[N+](=O)[O-])s1 ZINC000282626591 498585582 /nfs/dbraw/zinc/58/55/82/498585582.db2.gz JIPXIORMCITSBP-UHFFFAOYSA-N -1 1 350.400 3.440 20 5 FGBDMM CC1CCN(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)CC1 ZINC000299176280 498988712 /nfs/dbraw/zinc/98/87/12/498988712.db2.gz XFGNVVIUHKQKPM-UHFFFAOYSA-N -1 1 356.382 3.047 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)N=c1cc(-c2ccc(C)s2)[n-][nH]1 ZINC000427883925 500442115 /nfs/dbraw/zinc/44/21/15/500442115.db2.gz GNNCLYKZLSZOPD-UHFFFAOYSA-N -1 1 358.379 3.038 20 5 FGBDMM CC(C)(C)c1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1[N+](=O)[O-] ZINC000424072548 500447908 /nfs/dbraw/zinc/44/79/08/500447908.db2.gz YOBFYHHQSLPRBL-UHFFFAOYSA-N -1 1 356.444 3.061 20 5 FGBDMM CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Br ZINC000428433829 500509386 /nfs/dbraw/zinc/50/93/86/500509386.db2.gz DSEAGNVLBHJPMZ-UHFFFAOYSA-N -1 1 354.160 3.336 20 5 FGBDMM Cc1cc(C)cc(-c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)[nH]n2)c1 ZINC000442337124 500582031 /nfs/dbraw/zinc/58/20/31/500582031.db2.gz UJEVAZPUBUPETA-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM CCOCc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000438724037 500815273 /nfs/dbraw/zinc/81/52/73/500815273.db2.gz NKFYGDMNPGGDKK-UHFFFAOYSA-N -1 1 350.396 3.241 20 5 FGBDMM COc1cccc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)c1[N+](=O)[O-] ZINC000436024891 501058580 /nfs/dbraw/zinc/05/85/80/501058580.db2.gz KFDHRXLSDBGZFR-FPLPWBNLSA-N -1 1 372.362 3.471 20 5 FGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cc(Br)cs3)no2)[n-]1 ZINC000436292956 501103264 /nfs/dbraw/zinc/10/32/64/501103264.db2.gz CHVSDZRJYBTQRK-UHFFFAOYSA-N -1 1 355.173 3.388 20 5 FGBDMM O=C(c1ccc2ccccc2c1[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000436838242 501219595 /nfs/dbraw/zinc/21/95/95/501219595.db2.gz IZXBOVHLHXRQBQ-UHFFFAOYSA-N -1 1 364.357 3.357 20 5 FGBDMM CC(C)(c1ccc(F)cc1)C1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000456775769 501596651 /nfs/dbraw/zinc/59/66/51/501596651.db2.gz OBAPULGVDCYHRQ-UHFFFAOYSA-N -1 1 359.357 3.075 20 5 FGBDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1[N+](=O)[O-] ZINC000487082547 502352401 /nfs/dbraw/zinc/35/24/01/502352401.db2.gz DJFMYASWZDYOBA-VIFPVBQESA-N -1 1 374.340 3.360 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000466726688 502656659 /nfs/dbraw/zinc/65/66/59/502656659.db2.gz KQOTVMLGBYZOTJ-UHFFFAOYSA-N -1 1 365.798 3.208 20 5 FGBDMM C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484749508 502730349 /nfs/dbraw/zinc/73/03/49/502730349.db2.gz DIZYNZIMNMXWST-QMMMGPOBSA-N -1 1 370.192 3.363 20 5 FGBDMM C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000470454541 502781115 /nfs/dbraw/zinc/78/11/15/502781115.db2.gz ATKMYFIXNLURDK-SECBINFHSA-N -1 1 360.395 3.087 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)cc1[N+](=O)[O-] ZINC000491830904 503331161 /nfs/dbraw/zinc/33/11/61/503331161.db2.gz GJCHDDPJLVLFKV-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCN1C1CCCC1 ZINC000543679780 503850621 /nfs/dbraw/zinc/85/06/21/503850621.db2.gz DXDXVDJOLUWURY-ZDUSSCGKSA-N -1 1 353.806 3.299 20 5 FGBDMM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000518933002 504097011 /nfs/dbraw/zinc/09/70/11/504097011.db2.gz JQJYZRIOULFKQT-UHFFFAOYSA-N -1 1 356.382 3.156 20 5 FGBDMM CCc1ccc2nc(-c3cc(OC)c(OCC(=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000534630997 504195932 /nfs/dbraw/zinc/19/59/32/504195932.db2.gz ZLUBXXYTTCWFLX-UHFFFAOYSA-N -1 1 371.349 3.173 20 5 FGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1OC ZINC000539854669 504719319 /nfs/dbraw/zinc/71/93/19/504719319.db2.gz FHTZUEDOSULBAU-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM O=c1[n-]nc(C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 ZINC000565998652 505050858 /nfs/dbraw/zinc/05/08/58/505050858.db2.gz GXTYPTCTENOMMZ-UHFFFAOYSA-N -1 1 358.276 3.086 20 5 FGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)(F)F)c1 ZINC000604036974 506693609 /nfs/dbraw/zinc/69/36/09/506693609.db2.gz QMQYYALZJHFEQC-CYBMUJFWSA-N -1 1 360.313 3.177 20 5 FGBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C1(c2ccccc2Cl)CCC1 ZINC000593617995 506704540 /nfs/dbraw/zinc/70/45/40/506704540.db2.gz VSOYTSWOQWYUBC-UHFFFAOYSA-N -1 1 367.814 3.001 20 5 FGBDMM Cc1nc(-c2ccccc2)sc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000608990233 506759711 /nfs/dbraw/zinc/75/97/11/506759711.db2.gz WUQOKYRURWCSOP-UHFFFAOYSA-N -1 1 370.390 3.057 20 5 FGBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CC2(CC2)c2ccc(Br)cc21 ZINC000600282062 506888198 /nfs/dbraw/zinc/88/81/98/506888198.db2.gz LARWWKUGCLSPJA-UHFFFAOYSA-N -1 1 362.183 3.377 20 5 FGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000597779302 507098487 /nfs/dbraw/zinc/09/84/87/507098487.db2.gz LBBUUDPEJUKTEF-CVEARBPZSA-N -1 1 355.394 3.494 20 5 FGBDMM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)cc1[N+](=O)[O-] ZINC000594699664 507243585 /nfs/dbraw/zinc/24/35/85/507243585.db2.gz ACWOEHFECJNKMG-UHFFFAOYSA-N -1 1 362.407 3.031 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]nc1C(C)C ZINC000592385056 507631693 /nfs/dbraw/zinc/63/16/93/507631693.db2.gz MFEKHJCDRZITQR-UHFFFAOYSA-N -1 1 352.416 3.167 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1[nH]nc(C(C)C)c1C ZINC000592385037 507632094 /nfs/dbraw/zinc/63/20/94/507632094.db2.gz KYTQVDLYXIMNMW-UHFFFAOYSA-N -1 1 352.416 3.113 20 5 FGBDMM CC1(C)C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2ccccc21 ZINC000820590045 607306856 /nfs/dbraw/zinc/30/68/56/607306856.db2.gz PRPLHHAEORKQEA-CYBMUJFWSA-N -1 1 351.370 3.004 20 5 FGBDMM CC1(C)C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c2ccccc21 ZINC000820590045 607306857 /nfs/dbraw/zinc/30/68/57/607306857.db2.gz PRPLHHAEORKQEA-CYBMUJFWSA-N -1 1 351.370 3.004 20 5 FGBDMM O=C([O-])[C@H](NCc1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000739503996 599788695 /nfs/dbraw/zinc/78/86/95/599788695.db2.gz GWIOWFJFCFFDKW-GFCCVEGCSA-N -1 1 371.212 3.334 20 5 FGBDMM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000740514708 602378292 /nfs/dbraw/zinc/37/82/92/602378292.db2.gz DWYVKYWNDOGATB-WFASDCNBSA-N -1 1 351.378 3.088 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CC1 ZINC000047671438 695866085 /nfs/dbraw/zinc/86/60/85/695866085.db2.gz GEKWGLOCISIGCP-HNNXBMFYSA-N -1 1 350.371 3.164 20 5 FGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000098080603 700465461 /nfs/dbraw/zinc/46/54/61/700465461.db2.gz WUZRNBNOHIYXTP-UHFFFAOYSA-N -1 1 369.830 3.423 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C1CC1 ZINC000122353854 700688442 /nfs/dbraw/zinc/68/84/42/700688442.db2.gz FZJUXMUYAWAKPT-OAHLLOKOSA-N -1 1 364.398 3.034 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)s1 ZINC000521771833 714147600 /nfs/dbraw/zinc/14/76/00/714147600.db2.gz GAKREBOCONFZED-UHFFFAOYSA-N -1 1 367.235 3.442 20 5 FGBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1c(C)cccc1Cl ZINC000619507600 714846686 /nfs/dbraw/zinc/84/66/86/714846686.db2.gz QXHDBCFOZSZKME-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM COC(=O)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000780077294 724445626 /nfs/dbraw/zinc/44/56/26/724445626.db2.gz WSTNJWWTDOTEDP-AWEZNQCLSA-N -1 1 365.725 3.025 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2ccc(F)cc21 ZINC000730268341 722466592 /nfs/dbraw/zinc/46/65/92/722466592.db2.gz SLWNESFZVBUFKT-CYBMUJFWSA-N -1 1 370.789 3.353 20 5 FGBDMM C[C@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000732226828 722482765 /nfs/dbraw/zinc/48/27/65/722482765.db2.gz BQUOAJVVFZVSRS-QFYYESIMSA-N -1 1 366.826 3.460 20 5 FGBDMM O=C(Nc1ccc(Oc2ccc(Cl)nn2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000733281698 722494881 /nfs/dbraw/zinc/49/48/81/722494881.db2.gz ZVZUJAPDUAMIFH-UHFFFAOYSA-N -1 1 359.729 3.411 20 5 FGBDMM Cc1ccc(NCCCNC(=O)c2c([O-])cccc2Cl)c([N+](=O)[O-])c1 ZINC000740142854 722535093 /nfs/dbraw/zinc/53/50/93/722535093.db2.gz YWLJCZABAKEGBR-UHFFFAOYSA-N -1 1 363.801 3.494 20 5 FGBDMM CC(C)(C)[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742281884 722554431 /nfs/dbraw/zinc/55/44/31/722554431.db2.gz STCWUTGIQNZWPT-CHWSQXEVSA-N -1 1 355.460 3.121 20 5 FGBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2c(O)cccc2F)cc1[N+](=O)[O-] ZINC000753079696 722884166 /nfs/dbraw/zinc/88/41/66/722884166.db2.gz NDPLPRUXGJECKE-UHFFFAOYSA-N -1 1 360.750 3.202 20 5 FGBDMM COC(=O)c1cc([N-]C(=O)c2scnc2Cl)c(C)c([N+](=O)[O-])c1 ZINC000754614334 722943394 /nfs/dbraw/zinc/94/33/94/722943394.db2.gz IXZPTFJGAVLHHY-UHFFFAOYSA-N -1 1 355.759 3.052 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)cc1[N+](=O)[O-] ZINC000755087545 722950018 /nfs/dbraw/zinc/95/00/18/722950018.db2.gz MWKVVRBNCDFSIO-UHFFFAOYSA-N -1 1 361.423 3.005 20 5 FGBDMM C[C@@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000762543862 723253468 /nfs/dbraw/zinc/25/34/68/723253468.db2.gz WQNMPDLFNYERRL-BZNIZROVSA-N -1 1 364.398 3.336 20 5 FGBDMM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795909613 723613564 /nfs/dbraw/zinc/61/35/64/723613564.db2.gz RLZDZLBNNBUDQB-VIFPVBQESA-N -1 1 373.793 3.130 20 5 FGBDMM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000796387034 723635796 /nfs/dbraw/zinc/63/57/96/723635796.db2.gz XLUFYNQPNSOEPR-MRVPVSSYSA-N -1 1 360.757 3.321 20 5 FGBDMM COCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000774611883 723910604 /nfs/dbraw/zinc/91/06/04/723910604.db2.gz TYFMCLFFWCURGX-UHFFFAOYSA-N -1 1 356.787 3.195 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)N(C)CC2 ZINC000776091753 724109103 /nfs/dbraw/zinc/10/91/03/724109103.db2.gz FFMNRGBDLRPNFS-UHFFFAOYSA-N -1 1 361.423 3.005 20 5 FGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1csc(-c2ncccn2)n1 ZINC000800150057 724155590 /nfs/dbraw/zinc/15/55/90/724155590.db2.gz ZBOZOVIBEZKMTE-UHFFFAOYSA-N -1 1 359.342 3.208 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1Cl ZINC000809384640 725241155 /nfs/dbraw/zinc/24/11/55/725241155.db2.gz XNXHZUDOGOGCBA-UHFFFAOYSA-N -1 1 361.206 3.380 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc2sccc2c1 ZINC000809851585 725273344 /nfs/dbraw/zinc/27/33/44/725273344.db2.gz NSNQVDVVLXVNPA-UHFFFAOYSA-N -1 1 366.395 3.427 20 5 FGBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CCC2 ZINC000813750737 726911191 /nfs/dbraw/zinc/91/11/91/726911191.db2.gz BIJMBIJULMCJMW-CQSZACIVSA-N -1 1 352.437 3.321 20 5 FGBDMM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018801 727020640 /nfs/dbraw/zinc/02/06/40/727020640.db2.gz BONSXMMYPRIXIG-MRVPVSSYSA-N -1 1 370.855 3.197 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)c1Cl ZINC000841551316 730255351 /nfs/dbraw/zinc/25/53/51/730255351.db2.gz GEKOXAFKHDVLPU-WEDXCCLWSA-N -1 1 365.238 3.369 20 5 FGBDMM O=C([O-])c1cnc([C@@H]2CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)s1 ZINC000905749350 744051833 /nfs/dbraw/zinc/05/18/33/744051833.db2.gz LHDHZDNKRWZWDH-HSBHDXMMSA-N -1 1 359.407 3.252 20 5 FGBDMM CC(C)N(C)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000917746798 758265565 /nfs/dbraw/zinc/26/55/65/758265565.db2.gz OVXNDHVNCZPDDI-UHFFFAOYSA-N -1 1 367.402 3.379 20 5 FGBDMM C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)[C@@H]1C(=O)[O-] ZINC000923249230 759089862 /nfs/dbraw/zinc/08/98/62/759089862.db2.gz NMLXDRQZOSRZAQ-ZANVPECISA-N -1 1 357.204 3.042 20 5 FGBDMM C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923255009 759091158 /nfs/dbraw/zinc/09/11/58/759091158.db2.gz WXEJBQXSJLAOEI-UWVGGRQHSA-N -1 1 357.204 3.042 20 5 FGBDMM C[C@@H]1CCCN1C(=O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000546560211 503788188 /nfs/dbraw/zinc/78/81/88/503788188.db2.gz JXWZXHQFAHACAB-LLVKDONJSA-N -1 1 367.365 3.264 20 5 FGBDMM Cc1cc(NC2CCN(Cc3ccccn3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573613731 505578816 /nfs/dbraw/zinc/57/88/16/505578816.db2.gz GLGGRHKJIZURHM-UHFFFAOYSA-N -1 1 370.409 3.073 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(Sc3ccccc3)CC2)s1 ZINC000068945409 493897976 /nfs/dbraw/zinc/89/79/76/493897976.db2.gz UWPBOPNQODCFHV-UHFFFAOYSA-N -1 1 370.477 3.260 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000007709209 494037179 /nfs/dbraw/zinc/03/71/79/494037179.db2.gz LLYNDBZIQYOBJK-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2)no1 ZINC000063849753 494093694 /nfs/dbraw/zinc/09/36/94/494093694.db2.gz KNRYMVUVKGAICP-UHFFFAOYSA-N -1 1 374.378 3.062 20 5 FGBDMM O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000054951225 494287316 /nfs/dbraw/zinc/28/73/16/494287316.db2.gz IZVKYSNTQGYNIX-UHFFFAOYSA-N -1 1 369.377 3.427 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)s1 ZINC000066327505 494311818 /nfs/dbraw/zinc/31/18/18/494311818.db2.gz CUZOXHRWYAKZEY-JTQLQIEISA-N -1 1 374.440 3.311 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1Cl ZINC000093930698 494936564 /nfs/dbraw/zinc/93/65/64/494936564.db2.gz VBHHNTWOCCHDIV-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000119597769 495197934 /nfs/dbraw/zinc/19/79/34/495197934.db2.gz PWMUTFKNGCNPNE-UHFFFAOYSA-N -1 1 367.235 3.442 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCc1cccc(F)c1)C1CCCC1 ZINC000185833662 495743209 /nfs/dbraw/zinc/74/32/09/495743209.db2.gz FMHMKVCJUUDGCZ-UHFFFAOYSA-N -1 1 373.384 3.462 20 5 FGBDMM COc1ccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])cnc3C)n2)cc1 ZINC000171200621 495765406 /nfs/dbraw/zinc/76/54/06/495765406.db2.gz BVILFYGJDFLQRM-UHFFFAOYSA-N -1 1 371.378 3.078 20 5 FGBDMM COCc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000183875357 496143745 /nfs/dbraw/zinc/14/37/45/496143745.db2.gz PMWNWMUTQWMACN-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)ccc1[N+](=O)[O-] ZINC000172181972 496198164 /nfs/dbraw/zinc/19/81/64/496198164.db2.gz ILXSAILOCFNMHE-UHFFFAOYSA-N -1 1 358.322 3.305 20 5 FGBDMM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)o1 ZINC000186919378 496210926 /nfs/dbraw/zinc/21/09/26/496210926.db2.gz VYWQJMZLIBWVPB-YGRLFVJLSA-N -1 1 357.366 3.217 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1OC ZINC000187050944 496269777 /nfs/dbraw/zinc/26/97/77/496269777.db2.gz OQDYVOYWKJUEJL-UHFFFAOYSA-N -1 1 354.359 3.106 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncc[nH]3)cc2)cc1[N+](=O)[O-] ZINC000178192074 496363746 /nfs/dbraw/zinc/36/37/46/496363746.db2.gz MBZVBJSXHZXQJP-UHFFFAOYSA-N -1 1 358.379 3.094 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cc1[N+](=O)[O-] ZINC000157697203 496533184 /nfs/dbraw/zinc/53/31/84/496533184.db2.gz NTWVUNAXGRKILU-UHFFFAOYSA-N -1 1 359.363 3.359 20 5 FGBDMM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1F ZINC000184874215 496567790 /nfs/dbraw/zinc/56/77/90/496567790.db2.gz XJMVISRVGZRMCX-UHFFFAOYSA-N -1 1 361.354 3.391 20 5 FGBDMM CCOc1ccc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000188091024 496678973 /nfs/dbraw/zinc/67/89/73/496678973.db2.gz SNWLUHHHAXIKKE-HNNXBMFYSA-N -1 1 357.366 3.071 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1F ZINC000191799411 496893109 /nfs/dbraw/zinc/89/31/09/496893109.db2.gz QOQLHKOGFKORRZ-UHFFFAOYSA-N -1 1 354.359 3.160 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c(C)c1 ZINC000414387705 499785348 /nfs/dbraw/zinc/78/53/48/499785348.db2.gz ZHSCNMYDTDXYBB-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM O=C([O-])C[C@H](NCc1cccc([N+](=O)[O-])c1)c1cnn(-c2ccccc2)c1 ZINC000426723244 500311113 /nfs/dbraw/zinc/31/11/13/500311113.db2.gz LCPJJFKJEKGZKS-SFHVURJKSA-N -1 1 366.377 3.086 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000437295979 500625749 /nfs/dbraw/zinc/62/57/49/500625749.db2.gz WBUUPWUQZIEGFZ-DTWKUNHWSA-N -1 1 372.390 3.303 20 5 FGBDMM COc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1[O-] ZINC000442864687 500636047 /nfs/dbraw/zinc/63/60/47/500636047.db2.gz GPADLMVJPQKUJO-UHFFFAOYSA-N -1 1 350.758 3.235 20 5 FGBDMM CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445004962 500931696 /nfs/dbraw/zinc/93/16/96/500931696.db2.gz BKEDDDUHAHLCGD-GFCCVEGCSA-N -1 1 359.382 3.111 20 5 FGBDMM C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445145240 500948903 /nfs/dbraw/zinc/94/89/03/500948903.db2.gz UFQYVOFDOFREIT-MRVPVSSYSA-N -1 1 370.192 3.363 20 5 FGBDMM CC[C@H](C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000445177488 500952070 /nfs/dbraw/zinc/95/20/70/500952070.db2.gz WKFWXVFYBULLET-ZUZCIYMTSA-N -1 1 369.381 3.089 20 5 FGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459636724 501690654 /nfs/dbraw/zinc/69/06/54/501690654.db2.gz AGEGRYHRZQMGSR-OAHLLOKOSA-N -1 1 374.359 3.481 20 5 FGBDMM O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000467826643 501884933 /nfs/dbraw/zinc/88/49/33/501884933.db2.gz XWKPSHOCDHHGOH-UHFFFAOYSA-N -1 1 368.176 3.421 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1[N+](=O)[O-] ZINC000481969196 501931491 /nfs/dbraw/zinc/93/14/91/501931491.db2.gz CFOVLMRQTHPYDV-UHFFFAOYSA-N -1 1 372.349 3.348 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1 ZINC000481975312 501933818 /nfs/dbraw/zinc/93/38/18/501933818.db2.gz VSOJAVHGPUPRGR-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nc3ccc(F)cc3[nH]2)c1C ZINC000486573623 502194734 /nfs/dbraw/zinc/19/47/34/502194734.db2.gz STBSJFDNDBBYQR-UHFFFAOYSA-N -1 1 364.358 3.028 20 5 FGBDMM CN(CCOc1ccccc1C(C)(C)C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000482863158 502201966 /nfs/dbraw/zinc/20/19/66/502201966.db2.gz YYSPDVMCXYDANX-UHFFFAOYSA-N -1 1 373.409 3.144 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2cc(CCC(C)C)[nH]n2)ccc1[N+](=O)[O-] ZINC000468937691 502237170 /nfs/dbraw/zinc/23/71/70/502237170.db2.gz LMQISEAKRBLEBO-UHFFFAOYSA-N -1 1 352.416 3.016 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3Cl)CC2)s1 ZINC000479530453 502287858 /nfs/dbraw/zinc/28/78/58/502287858.db2.gz SJQZXGKTKBIMPM-UHFFFAOYSA-N -1 1 372.855 3.320 20 5 FGBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCCCC2 ZINC000487124352 502366810 /nfs/dbraw/zinc/36/68/10/502366810.db2.gz XBARJSMNGXUSGK-RYUDHWBXSA-N -1 1 374.484 3.063 20 5 FGBDMM O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000484728196 502722638 /nfs/dbraw/zinc/72/26/38/502722638.db2.gz NLYVRNXHQGQPTK-GDBMZVCRSA-N -1 1 355.394 3.227 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(-n2ccnc2)cc1 ZINC000481067684 502746549 /nfs/dbraw/zinc/74/65/49/502746549.db2.gz GMTINDBYDQWCSY-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM COCCc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000463443784 502806434 /nfs/dbraw/zinc/80/64/34/502806434.db2.gz KWLURKRAEQRCHF-UHFFFAOYSA-N -1 1 364.423 3.201 20 5 FGBDMM COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)cc1OC ZINC000518178350 503922337 /nfs/dbraw/zinc/92/23/37/503922337.db2.gz OSGDZBDMZZRBOG-UHFFFAOYSA-N -1 1 374.378 3.316 20 5 FGBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000519967034 504390982 /nfs/dbraw/zinc/39/09/82/504390982.db2.gz OTOCJMWINOZSEZ-JTQLQIEISA-N -1 1 372.805 3.469 20 5 FGBDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)cc(Cl)c2O1 ZINC000542929710 504662411 /nfs/dbraw/zinc/66/24/11/504662411.db2.gz GRVGSXLAPDLOLK-VIFPVBQESA-N -1 1 368.798 3.372 20 5 FGBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ccccc3)c2C)n1 ZINC000553173373 504844397 /nfs/dbraw/zinc/84/43/97/504844397.db2.gz JDWRLKYCMNUFOA-UHFFFAOYSA-N -1 1 353.338 3.014 20 5 FGBDMM CC[C@@H](C)COc1cc([N+](=O)[O-])c(CN(C)[C@H](C)CC(=O)[O-])cc1OC ZINC000565786530 504987267 /nfs/dbraw/zinc/98/72/67/504987267.db2.gz DLGZYFXWMGSISH-CHWSQXEVSA-N -1 1 368.430 3.323 20 5 FGBDMM O=C(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000556940055 505024529 /nfs/dbraw/zinc/02/45/29/505024529.db2.gz RVLWUMQXKXPUDW-UHFFFAOYSA-N -1 1 366.255 3.448 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)c1 ZINC000555276625 505397524 /nfs/dbraw/zinc/39/75/24/505397524.db2.gz RKEMNYNZYSBJEO-UHFFFAOYSA-N -1 1 371.328 3.170 20 5 FGBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCN(C2CCCCC2)CC1 ZINC000583026976 506548688 /nfs/dbraw/zinc/54/86/88/506548688.db2.gz UAPGLYPLTHUXNO-UHFFFAOYSA-N -1 1 367.833 3.044 20 5 FGBDMM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000603550944 506552647 /nfs/dbraw/zinc/55/26/47/506552647.db2.gz CTFVRXHEKMCVKI-UHFFFAOYSA-N -1 1 372.406 3.198 20 5 FGBDMM CC1(C)CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000593741409 506755477 /nfs/dbraw/zinc/75/54/77/506755477.db2.gz OVYBDJJEHFOLIU-PSGMQZRDSA-N -1 1 374.437 3.463 20 5 FGBDMM CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743547 506758209 /nfs/dbraw/zinc/75/82/09/506758209.db2.gz IYHUPSDJHZVKCN-JKSUJKDBSA-N -1 1 350.415 3.319 20 5 FGBDMM CCC1(CC)[C@H](OC)C[C@@H]1N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743547 506758219 /nfs/dbraw/zinc/75/82/19/506758219.db2.gz IYHUPSDJHZVKCN-JKSUJKDBSA-N -1 1 350.415 3.319 20 5 FGBDMM COc1ccc(-c2nsc([N-]C(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000609127587 506784601 /nfs/dbraw/zinc/78/46/01/506784601.db2.gz JYPSWWIELGKKLP-UHFFFAOYSA-N -1 1 356.363 3.374 20 5 FGBDMM CO[C@@H](C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-])C1CC1 ZINC000593949233 506843184 /nfs/dbraw/zinc/84/31/84/506843184.db2.gz ZOIGHIPIRQNISH-QAPCUYQASA-N -1 1 374.393 3.213 20 5 FGBDMM CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000609414552 506876976 /nfs/dbraw/zinc/87/69/76/506876976.db2.gz XNUFQZXYCNLQCE-UHFFFAOYSA-N -1 1 371.378 3.257 20 5 FGBDMM O=C(Nc1cccc(F)c1[O-])C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000600447476 506958951 /nfs/dbraw/zinc/95/89/51/506958951.db2.gz ZWAPLOKBDHHNTN-UHFFFAOYSA-N -1 1 359.357 3.295 20 5 FGBDMM COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C ZINC000600661526 507052833 /nfs/dbraw/zinc/05/28/33/507052833.db2.gz VDFYOWDIDDZPLD-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[nH]nc1C(C)C ZINC000592385241 507632734 /nfs/dbraw/zinc/63/27/34/507632734.db2.gz WROVWBJMHZRVRC-UHFFFAOYSA-N -1 1 352.416 3.167 20 5 FGBDMM CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830840420 601899657 /nfs/dbraw/zinc/89/96/57/601899657.db2.gz MSWLQOBTCSDBFB-OAHLLOKOSA-N -1 1 354.284 3.270 20 5 FGBDMM O=C([O-])c1cc([N+](=O)[O-])c(NCc2n[nH]c(-c3ccccc3)n2)cc1Cl ZINC000833307878 604264493 /nfs/dbraw/zinc/26/44/93/604264493.db2.gz RQFDGXDCECFSRV-UHFFFAOYSA-N -1 1 373.756 3.344 20 5 FGBDMM O=C([O-])c1cc([N+](=O)[O-])c(NCc2nc(-c3ccccc3)n[nH]2)cc1Cl ZINC000833307878 604264494 /nfs/dbraw/zinc/26/44/94/604264494.db2.gz RQFDGXDCECFSRV-UHFFFAOYSA-N -1 1 373.756 3.344 20 5 FGBDMM O=[N+]([O-])c1cnc(Oc2ccc(-c3cscn3)cc2)c(-c2nnn[n-]2)c1 ZINC000823651436 606471509 /nfs/dbraw/zinc/47/15/09/606471509.db2.gz JOVFPQVJIUSEQE-UHFFFAOYSA-N -1 1 367.350 3.086 20 5 FGBDMM O=[N+]([O-])c1cnc(Oc2ccc(-c3cscn3)cc2)c(-c2nn[n-]n2)c1 ZINC000823651436 606471511 /nfs/dbraw/zinc/47/15/11/606471511.db2.gz JOVFPQVJIUSEQE-UHFFFAOYSA-N -1 1 367.350 3.086 20 5 FGBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000820461637 606700556 /nfs/dbraw/zinc/70/05/56/606700556.db2.gz OHVVBTCBAWHKHV-SSDOTTSWSA-N -1 1 363.740 3.136 20 5 FGBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC000820461637 606700557 /nfs/dbraw/zinc/70/05/57/606700557.db2.gz OHVVBTCBAWHKHV-SSDOTTSWSA-N -1 1 363.740 3.136 20 5 FGBDMM C[C@H](CC(C)(C)c1ccccc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820227136 606702621 /nfs/dbraw/zinc/70/26/21/606702621.db2.gz YYZAXRRPAJPQAK-GFCCVEGCSA-N -1 1 367.413 3.338 20 5 FGBDMM C[C@H](CC(C)(C)c1ccccc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820227136 606702622 /nfs/dbraw/zinc/70/26/22/606702622.db2.gz YYZAXRRPAJPQAK-GFCCVEGCSA-N -1 1 367.413 3.338 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(CC(F)(F)F)c1 ZINC000823625450 606714296 /nfs/dbraw/zinc/71/42/96/606714296.db2.gz VZNZZFJXLQPKIA-UHFFFAOYSA-N -1 1 365.275 3.018 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(CC(F)(F)F)c1 ZINC000823625450 606714298 /nfs/dbraw/zinc/71/42/98/606714298.db2.gz VZNZZFJXLQPKIA-UHFFFAOYSA-N -1 1 365.275 3.018 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3F)ccc12 ZINC000093909497 700456430 /nfs/dbraw/zinc/45/64/30/700456430.db2.gz JALBPZWQAZSQRP-UHFFFAOYSA-N -1 1 364.358 3.028 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000102598250 700476442 /nfs/dbraw/zinc/47/64/42/700476442.db2.gz HVLALVVEYFEYQE-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1F ZINC000121434924 700672414 /nfs/dbraw/zinc/67/24/14/700672414.db2.gz WTFYWXOGWNAWPX-UHFFFAOYSA-N -1 1 364.276 3.260 20 5 FGBDMM CC(C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000122324094 700687939 /nfs/dbraw/zinc/68/79/39/700687939.db2.gz QCNJQEXLSFUAAD-UHFFFAOYSA-N -1 1 356.350 3.087 20 5 FGBDMM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C)s1 ZINC000194342794 713519369 /nfs/dbraw/zinc/51/93/69/713519369.db2.gz ZZKTZGSTTYFGMY-SECBINFHSA-N -1 1 358.416 3.452 20 5 FGBDMM C[C@@H]1C[C@H]1CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000615490711 714531622 /nfs/dbraw/zinc/53/16/22/714531622.db2.gz XOFXVYUWPWOMNE-OLZOCXBDSA-N -1 1 361.423 3.464 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1 ZINC000725826633 722423961 /nfs/dbraw/zinc/42/39/61/722423961.db2.gz HINQOHGBCIFTKM-QWHCGFSZSA-N -1 1 352.799 3.083 20 5 FGBDMM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000725826197 722423993 /nfs/dbraw/zinc/42/39/93/722423993.db2.gz QFUWKBRBJLOOIX-SNVBAGLBSA-N -1 1 370.814 3.296 20 5 FGBDMM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000735317738 722515257 /nfs/dbraw/zinc/51/52/57/722515257.db2.gz NWJOOMQLCKNBFD-WDEREUQCSA-N -1 1 364.876 3.201 20 5 FGBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000735675250 722518334 /nfs/dbraw/zinc/51/83/34/722518334.db2.gz GQSXCBVLKYICDO-UHFFFAOYSA-N -1 1 370.377 3.129 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1csc2ccccc21 ZINC000742293967 722554676 /nfs/dbraw/zinc/55/46/76/722554676.db2.gz QDQUPORNFOJFCW-SNVBAGLBSA-N -1 1 363.420 3.244 20 5 FGBDMM Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000742323314 722555381 /nfs/dbraw/zinc/55/53/81/722555381.db2.gz LMAZNQVEXHNSNP-ZDUSSCGKSA-N -1 1 366.414 3.260 20 5 FGBDMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000756332518 722962937 /nfs/dbraw/zinc/96/29/37/722962937.db2.gz KBJGEMVWGKUNPA-OAHLLOKOSA-N -1 1 350.758 3.172 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccccc2CN(C)C)c1C ZINC000764522235 723421714 /nfs/dbraw/zinc/42/17/14/723421714.db2.gz DETNUPKYYMAZPU-UHFFFAOYSA-N -1 1 363.439 3.074 20 5 FGBDMM CC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)ccc1F ZINC000795366619 723585396 /nfs/dbraw/zinc/58/53/96/723585396.db2.gz JSEAVSTZJDJKCN-UHFFFAOYSA-N -1 1 370.333 3.185 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)c1C ZINC000795379395 723586728 /nfs/dbraw/zinc/58/67/28/723586728.db2.gz HWOMWCRXGHOZHE-NSHDSACASA-N -1 1 368.386 3.205 20 5 FGBDMM Cc1ccccc1[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000768829976 723668458 /nfs/dbraw/zinc/66/84/58/723668458.db2.gz ABUKGYSLUQXOAA-OAHLLOKOSA-N -1 1 352.437 3.394 20 5 FGBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000768862552 723669991 /nfs/dbraw/zinc/66/99/91/723669991.db2.gz VHFHDTZMOPCRIS-CYBMUJFWSA-N -1 1 352.437 3.357 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccccc2F)C1 ZINC000797839749 723870888 /nfs/dbraw/zinc/87/08/88/723870888.db2.gz STWHPXQYYOJXBH-XYPYZODXSA-N -1 1 368.361 3.098 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)cc1Cl ZINC000798224030 723915374 /nfs/dbraw/zinc/91/53/74/723915374.db2.gz DUPBKJPERMYFFQ-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000775211171 723971544 /nfs/dbraw/zinc/97/15/44/723971544.db2.gz XTKSBGVXTKJNMT-SNVBAGLBSA-N -1 1 360.741 3.258 20 5 FGBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC000800929692 724249882 /nfs/dbraw/zinc/24/98/82/724249882.db2.gz MBSIXGOUNCEZTG-UHFFFAOYSA-N -1 1 362.741 3.468 20 5 FGBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F ZINC000786888697 725006103 /nfs/dbraw/zinc/00/61/03/725006103.db2.gz DLFLSJLNOLHWGS-JTQLQIEISA-N -1 1 360.741 3.113 20 5 FGBDMM CSCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809818164 725270592 /nfs/dbraw/zinc/27/05/92/725270592.db2.gz BZBQPOKRYCTKCA-UHFFFAOYSA-N -1 1 373.283 3.323 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCSC2)c(Cl)cc1Cl ZINC000809823986 725271320 /nfs/dbraw/zinc/27/13/20/725271320.db2.gz XDLQFEFWGHOWPZ-SSDOTTSWSA-N -1 1 371.267 3.076 20 5 FGBDMM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])CCC2 ZINC000813751059 726911053 /nfs/dbraw/zinc/91/10/53/726911053.db2.gz DQWRWGXUCMWJCO-OAHLLOKOSA-N -1 1 364.398 3.398 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccc(F)cc1 ZINC000814974934 727015275 /nfs/dbraw/zinc/01/52/75/727015275.db2.gz KZZOKIIFEQZWHU-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM CC(C)CSCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815027675 727022337 /nfs/dbraw/zinc/02/23/37/727022337.db2.gz VMVRHBLCMIWBTF-UHFFFAOYSA-N -1 1 370.855 3.055 20 5 FGBDMM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000849304362 731244894 /nfs/dbraw/zinc/24/48/94/731244894.db2.gz QSPOZLSPYJKJFP-LLVKDONJSA-N -1 1 365.411 3.155 20 5 FGBDMM CC(C)n1c(C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)n[n-]c1=S ZINC000068446575 493822230 /nfs/dbraw/zinc/82/22/30/493822230.db2.gz NWEBCSJDJOSHQD-UHFFFAOYSA-N -1 1 365.415 3.043 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000005126383 493914424 /nfs/dbraw/zinc/91/44/24/493914424.db2.gz OMBBCBTYIMXMCT-UHFFFAOYSA-N -1 1 356.787 3.366 20 5 FGBDMM CCCOc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000032599987 493999539 /nfs/dbraw/zinc/99/95/39/493999539.db2.gz QVHRDRUXPQZWNI-UHFFFAOYSA-N -1 1 350.396 3.493 20 5 FGBDMM Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000063311410 494044332 /nfs/dbraw/zinc/04/43/32/494044332.db2.gz PEHZPSDYFFFDHF-UHFFFAOYSA-N -1 1 354.453 3.221 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000091054455 494519479 /nfs/dbraw/zinc/51/94/79/494519479.db2.gz ZWCUXJRIPCKKDM-LLVKDONJSA-N -1 1 362.407 3.336 20 5 FGBDMM COC(=O)c1cc([N-]C(=O)c2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000123684288 495171002 /nfs/dbraw/zinc/17/10/02/495171002.db2.gz FWFVGXLMGHUZBW-UHFFFAOYSA-N -1 1 357.347 3.243 20 5 FGBDMM Cc1csc(C2([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])CCCC2)n1 ZINC000112707294 495227382 /nfs/dbraw/zinc/22/73/82/495227382.db2.gz RGMDOLUMWINGAV-UHFFFAOYSA-N -1 1 367.452 3.108 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C)c1 ZINC000170708481 495575913 /nfs/dbraw/zinc/57/59/13/495575913.db2.gz IIKITHXIIPXQSG-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM Cc1cc(Br)c([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000182921072 495757739 /nfs/dbraw/zinc/75/77/39/495757739.db2.gz OMBZDPLHRRBKDK-UHFFFAOYSA-N -1 1 366.171 3.206 20 5 FGBDMM Cc1ccc(-c2nsc([N-]C(=O)c3cc([N+](=O)[O-])cnc3C)n2)s1 ZINC000171237911 495784138 /nfs/dbraw/zinc/78/41/38/495784138.db2.gz QQIHZFAAXHHDEZ-UHFFFAOYSA-N -1 1 361.408 3.439 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000159979811 495855381 /nfs/dbraw/zinc/85/53/81/495855381.db2.gz BTXRVORQVYUUCD-JTQLQIEISA-N -1 1 361.832 3.134 20 5 FGBDMM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000156180218 496179389 /nfs/dbraw/zinc/17/93/89/496179389.db2.gz HIWLFZMRTAOQDR-UHFFFAOYSA-N -1 1 363.439 3.387 20 5 FGBDMM O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184215104 496290098 /nfs/dbraw/zinc/29/00/98/496290098.db2.gz XMESCXFVXSWUMV-MRXNPFEDSA-N -1 1 368.349 3.281 20 5 FGBDMM CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000187155212 496316187 /nfs/dbraw/zinc/31/61/87/496316187.db2.gz MHEPDXKLTZQJRY-RISCZKNCSA-N -1 1 359.382 3.464 20 5 FGBDMM C[C@@H]1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000172810541 496441301 /nfs/dbraw/zinc/44/13/01/496441301.db2.gz FNTFSPDXRPWNSK-CYBMUJFWSA-N -1 1 361.423 3.384 20 5 FGBDMM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000175629276 496472669 /nfs/dbraw/zinc/47/26/69/496472669.db2.gz LVWYYAQQTQNTAB-MRVPVSSYSA-N -1 1 361.832 3.053 20 5 FGBDMM COc1c(C)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1C ZINC000192709889 497191455 /nfs/dbraw/zinc/19/14/55/497191455.db2.gz UDHFUUBTCSWBCQ-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193490657 497394183 /nfs/dbraw/zinc/39/41/83/497394183.db2.gz URWAGVCHAUAJGG-HZPDHXFCSA-N -1 1 355.394 3.494 20 5 FGBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000193694129 497448905 /nfs/dbraw/zinc/44/89/05/497448905.db2.gz XXAAPIFGVUQIFS-CQSZACIVSA-N -1 1 351.309 3.101 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000194158068 497589846 /nfs/dbraw/zinc/58/98/46/497589846.db2.gz CTEOFTJRYRQHQN-UHFFFAOYSA-N -1 1 365.392 3.014 20 5 FGBDMM Cc1ccc(C[C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000569709476 505999132 /nfs/dbraw/zinc/99/91/32/505999132.db2.gz SZCRTUBATULTEN-HNNXBMFYSA-N -1 1 355.394 3.099 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000324974064 498832770 /nfs/dbraw/zinc/83/27/70/498832770.db2.gz QLLOOFKPBVUOCX-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000325574093 498837909 /nfs/dbraw/zinc/83/79/09/498837909.db2.gz JQVZLAPJFDDALV-UHFFFAOYSA-N -1 1 372.834 3.378 20 5 FGBDMM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000299097828 498964937 /nfs/dbraw/zinc/96/49/37/498964937.db2.gz VPIXFZWFCIYLNF-LBPRGKRZSA-N -1 1 356.382 3.190 20 5 FGBDMM C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000421911152 500174309 /nfs/dbraw/zinc/17/43/09/500174309.db2.gz CZNZOJHKMFVQKT-SFHVURJKSA-N -1 1 359.357 3.072 20 5 FGBDMM O=C([O-])C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cnn(-c2ccccc2)c1 ZINC000426723243 500310702 /nfs/dbraw/zinc/31/07/02/500310702.db2.gz LCPJJFKJEKGZKS-GOSISDBHSA-N -1 1 366.377 3.086 20 5 FGBDMM CC(C)c1[nH]nc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1[N+](=O)[O-] ZINC000442920785 500647465 /nfs/dbraw/zinc/64/74/65/500647465.db2.gz CYAYGQONXGAEHW-UHFFFAOYSA-N -1 1 374.275 3.298 20 5 FGBDMM CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000443051097 500669027 /nfs/dbraw/zinc/66/90/27/500669027.db2.gz VSRPBWBTTWNJQJ-NSHDSACASA-N -1 1 354.350 3.240 20 5 FGBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC000444213347 500818721 /nfs/dbraw/zinc/81/87/21/500818721.db2.gz BQEKYNFXAREGPH-CHWSQXEVSA-N -1 1 372.491 3.085 20 5 FGBDMM Cc1cccc(CN(Cc2ccco2)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444860263 500912342 /nfs/dbraw/zinc/91/23/42/500912342.db2.gz PCIUGOMIBPOUEG-UHFFFAOYSA-N -1 1 367.361 3.439 20 5 FGBDMM Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444959938 500925678 /nfs/dbraw/zinc/92/56/78/500925678.db2.gz SMKHDDUNMPMTAN-DOTOQJQBSA-N -1 1 371.393 3.124 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2c(ccc(Cl)c2Cl)C1 ZINC000445175358 500951884 /nfs/dbraw/zinc/95/18/84/500951884.db2.gz CANFIPMNPHNNRN-UHFFFAOYSA-N -1 1 368.176 3.201 20 5 FGBDMM O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445186654 500953119 /nfs/dbraw/zinc/95/31/19/500953119.db2.gz SDOSISHCNAKXAZ-PWSUYJOCSA-N -1 1 367.283 3.000 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc([C@H]2CCOC2)cc1 ZINC000451062882 501242762 /nfs/dbraw/zinc/24/27/62/501242762.db2.gz OSMYPEJQEAMIAH-AWEZNQCLSA-N -1 1 362.407 3.208 20 5 FGBDMM O=C(N[C@H](c1ccc(F)c(Cl)c1)C1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452587855 501528242 /nfs/dbraw/zinc/52/82/42/501528242.db2.gz HZYOZLGDBVVGLU-AWEZNQCLSA-N -1 1 365.748 3.369 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)s1 ZINC000474428051 501832377 /nfs/dbraw/zinc/83/23/77/501832377.db2.gz CWQDNTASYXADHZ-UHFFFAOYSA-N -1 1 356.429 3.228 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478248576 501920624 /nfs/dbraw/zinc/92/06/24/501920624.db2.gz IEOXGEKJEXKMFY-UHFFFAOYSA-N -1 1 361.785 3.369 20 5 FGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(CCC(C)C)n[nH]1 ZINC000468977292 502250807 /nfs/dbraw/zinc/25/08/07/502250807.db2.gz OWMWEDHOGSVGNX-UHFFFAOYSA-N -1 1 352.416 3.016 20 5 FGBDMM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCCCC2 ZINC000487124353 502366326 /nfs/dbraw/zinc/36/63/26/502366326.db2.gz XBARJSMNGXUSGK-VXGBXAGGSA-N -1 1 374.484 3.063 20 5 FGBDMM CCC(C)(CC)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000500074477 503546340 /nfs/dbraw/zinc/54/63/40/503546340.db2.gz JBFIBZZCYZNXNT-UHFFFAOYSA-N -1 1 365.249 3.214 20 5 FGBDMM Cc1cccc(S(=O)(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000551118427 505161971 /nfs/dbraw/zinc/16/19/71/505161971.db2.gz HIZVIFIQHLELRX-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000612550690 506621025 /nfs/dbraw/zinc/62/10/25/506621025.db2.gz ASSWDIZJUWPJLJ-OAHLLOKOSA-N -1 1 369.421 3.037 20 5 FGBDMM CC(C)COc1ccccc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000603983761 506679431 /nfs/dbraw/zinc/67/94/31/506679431.db2.gz UVBUBNBKWNQMBK-UHFFFAOYSA-N -1 1 366.395 3.136 20 5 FGBDMM COc1ccc(-c2nsc([N-]C(=O)c3csc([N+](=O)[O-])c3)n2)cc1 ZINC000609127529 506784789 /nfs/dbraw/zinc/78/47/89/506784789.db2.gz AVOHXGQFPZJXSI-UHFFFAOYSA-N -1 1 362.392 3.436 20 5 FGBDMM CCOc1ccc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000600839785 507142541 /nfs/dbraw/zinc/14/25/41/507142541.db2.gz OCGIYSKRLALHTA-UHFFFAOYSA-N -1 1 359.382 3.145 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCC(F)(F)CC1 ZINC000594487594 507152827 /nfs/dbraw/zinc/15/28/27/507152827.db2.gz NREROKCCLQLIGM-QMMMGPOBSA-N -1 1 354.400 3.149 20 5 FGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)cc1[N+](=O)[O-] ZINC000594696803 507243835 /nfs/dbraw/zinc/24/38/35/507243835.db2.gz NTTPDWCZJNSKHU-UHFFFAOYSA-N -1 1 362.407 3.085 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000610957382 507454698 /nfs/dbraw/zinc/45/46/98/507454698.db2.gz JVFKGZRPVGAHTP-ZETCQYMHSA-N -1 1 374.287 3.080 20 5 FGBDMM Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)c1cc([N+](=O)[O-])cnc1[O-] ZINC000473104003 561042316 /nfs/dbraw/zinc/04/23/16/561042316.db2.gz XNFGMXKREJPFIP-GFCCVEGCSA-N -1 1 367.365 3.062 20 5 FGBDMM Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000473104003 561042317 /nfs/dbraw/zinc/04/23/17/561042317.db2.gz XNFGMXKREJPFIP-GFCCVEGCSA-N -1 1 367.365 3.062 20 5 FGBDMM CC(C)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)NC(=O)[O-] ZINC000738792394 602791290 /nfs/dbraw/zinc/79/12/90/602791290.db2.gz GUCRRLHZZFISLG-AWEZNQCLSA-N -1 1 364.427 3.100 20 5 FGBDMM CC(=CC(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000833383783 605366674 /nfs/dbraw/zinc/36/66/74/605366674.db2.gz PPNWAUAGFASTCM-MDZDMXLPSA-N -1 1 366.333 3.211 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(CC(F)(F)F)cc1 ZINC000823625428 606713033 /nfs/dbraw/zinc/71/30/33/606713033.db2.gz UVJZUKYVKRCIHP-UHFFFAOYSA-N -1 1 365.275 3.018 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(CC(F)(F)F)cc1 ZINC000823625428 606713034 /nfs/dbraw/zinc/71/30/34/606713034.db2.gz UVJZUKYVKRCIHP-UHFFFAOYSA-N -1 1 365.275 3.018 20 5 FGBDMM O=[N+]([O-])c1cc(-c2ccccc2)ccc1Oc1ccc(-c2nnn[n-]2)nn1 ZINC000826497481 608405803 /nfs/dbraw/zinc/40/58/03/608405803.db2.gz IVPCELNMOSCDKC-UHFFFAOYSA-N -1 1 361.321 3.024 20 5 FGBDMM O=[N+]([O-])c1cc(-c2ccccc2)ccc1Oc1ccc(-c2nn[n-]n2)nn1 ZINC000826497481 608405804 /nfs/dbraw/zinc/40/58/04/608405804.db2.gz IVPCELNMOSCDKC-UHFFFAOYSA-N -1 1 361.321 3.024 20 5 FGBDMM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038039711 695755780 /nfs/dbraw/zinc/75/57/80/695755780.db2.gz YVGNHCMTBLIOND-SECBINFHSA-N -1 1 365.249 3.070 20 5 FGBDMM CC(C)CCC[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038110701 695756073 /nfs/dbraw/zinc/75/60/73/695756073.db2.gz LOWWDEICHXSBIB-UHFFFAOYSA-N -1 1 365.249 3.072 20 5 FGBDMM CC[C@](C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000119850270 700640645 /nfs/dbraw/zinc/64/06/45/700640645.db2.gz UAHIOILMMHOMFE-LBPRGKRZSA-N -1 1 361.470 3.025 20 5 FGBDMM CCOCc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000132070245 700823305 /nfs/dbraw/zinc/82/33/05/700823305.db2.gz DFUVTTQRGWQTTR-UHFFFAOYSA-N -1 1 368.386 3.380 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1 ZINC000154234662 705027099 /nfs/dbraw/zinc/02/70/99/705027099.db2.gz JSYDANMOLOXKOJ-UHFFFAOYSA-N -1 1 354.359 3.242 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ccc(F)c(Cl)c1 ZINC000171113772 705374618 /nfs/dbraw/zinc/37/46/18/705374618.db2.gz HMTGTXKVWZDOOA-UHFFFAOYSA-N -1 1 362.741 3.005 20 5 FGBDMM COc1cccc(C(=O)[N-]c2nnc(-c3ccsc3)s2)c1[N+](=O)[O-] ZINC000194116289 713510840 /nfs/dbraw/zinc/51/08/40/713510840.db2.gz JJXSTCAILYTSSI-UHFFFAOYSA-N -1 1 362.392 3.436 20 5 FGBDMM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccncc1 ZINC000795857330 723611781 /nfs/dbraw/zinc/61/17/81/723611781.db2.gz RSYPHOCDBUNNQP-LBPRGKRZSA-N -1 1 373.793 3.212 20 5 FGBDMM C[C@@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1c(F)cncc1F ZINC000804825978 724554306 /nfs/dbraw/zinc/55/43/06/724554306.db2.gz LEEKBXNNRUFIIF-MRVPVSSYSA-N -1 1 357.263 3.237 20 5 FGBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000725818495 722423446 /nfs/dbraw/zinc/42/34/46/722423446.db2.gz PDYFOFQJIVDPOA-NSHDSACASA-N -1 1 354.815 3.330 20 5 FGBDMM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(C)c1 ZINC000731216766 722474075 /nfs/dbraw/zinc/47/40/75/722474075.db2.gz QXEBIIYLVXJANE-ZDUSSCGKSA-N -1 1 366.414 3.260 20 5 FGBDMM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)/C=C\c1ccc(C)cc1 ZINC000769672519 723691868 /nfs/dbraw/zinc/69/18/68/723691868.db2.gz LQWNORYVNDYOOZ-KTKRTIGZSA-N -1 1 362.407 3.462 20 5 FGBDMM CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c([O-])c1 ZINC000770868899 723722329 /nfs/dbraw/zinc/72/23/29/723722329.db2.gz QKXXNCJMWYRFLD-UHFFFAOYSA-N -1 1 364.741 3.383 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000797840005 723870878 /nfs/dbraw/zinc/87/08/78/723870878.db2.gz CWWBUTHPQZDJMJ-AULYBMBSSA-N -1 1 368.361 3.098 20 5 FGBDMM Cc1cc(N2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000808078744 725182572 /nfs/dbraw/zinc/18/25/72/725182572.db2.gz WGUDXZRFZLAXOR-CHIMOYNISA-N -1 1 359.348 3.185 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1 ZINC000815000202 727018367 /nfs/dbraw/zinc/01/83/67/727018367.db2.gz SOHYLFNBIVTVCI-MFKMUULPSA-N -1 1 370.789 3.222 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([C@H](C)O)c2)c(C)cc1[N+](=O)[O-] ZINC000840913101 730190567 /nfs/dbraw/zinc/19/05/67/730190567.db2.gz ARWKODWUHNPSKA-NSHDSACASA-N -1 1 368.386 3.205 20 5 FGBDMM C[C@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000845979536 730914882 /nfs/dbraw/zinc/91/48/82/730914882.db2.gz HVWVPZUIYPCNNF-NWDGAFQWSA-N -1 1 371.217 3.231 20 5 FGBDMM CC[C@]1(C(=O)[O-])CCCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000903785922 743883806 /nfs/dbraw/zinc/88/38/06/743883806.db2.gz BNPYMJIQDJIISQ-HNNXBMFYSA-N -1 1 371.231 3.434 20 5 FGBDMM C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Br)[C@H]1C(=O)[O-] ZINC000923249228 759090176 /nfs/dbraw/zinc/09/01/76/759090176.db2.gz NMLXDRQZOSRZAQ-TVQRCGJNSA-N -1 1 357.204 3.042 20 5 FGBDMM C/C=C/c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000580001199 505659479 /nfs/dbraw/zinc/65/94/79/505659479.db2.gz QSXBYVKIZQLZHY-NSCUHMNNSA-N -1 1 362.363 3.127 20 5 FGBDMM CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000029043881 493812280 /nfs/dbraw/zinc/81/22/80/493812280.db2.gz JYBPIWDHYVXXDV-UHFFFAOYSA-N -1 1 350.396 3.430 20 5 FGBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000007708546 494037141 /nfs/dbraw/zinc/03/71/41/494037141.db2.gz VZZIXUDBUJBCKW-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000037385713 494104666 /nfs/dbraw/zinc/10/46/66/494104666.db2.gz AZGWCRGSYDHOCW-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000010464581 494154397 /nfs/dbraw/zinc/15/43/97/494154397.db2.gz XORKNDIKUYNOEI-UHFFFAOYSA-N -1 1 369.377 3.427 20 5 FGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000011264628 494174007 /nfs/dbraw/zinc/17/40/07/494174007.db2.gz SZOGVRKNNIVXAH-UHFFFAOYSA-N -1 1 366.377 3.197 20 5 FGBDMM Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055652277 494382887 /nfs/dbraw/zinc/38/28/87/494382887.db2.gz RDHFRFSJIXUKEA-UHFFFAOYSA-N -1 1 350.396 3.491 20 5 FGBDMM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000117376218 494915117 /nfs/dbraw/zinc/91/51/17/494915117.db2.gz UIVJTMXBKXRNQD-VHSXEESVSA-N -1 1 364.876 3.201 20 5 FGBDMM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000119879187 495261029 /nfs/dbraw/zinc/26/10/29/495261029.db2.gz SBQFHSOJWVWPNY-UHFFFAOYSA-N -1 1 367.235 3.442 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1 ZINC000147226580 495572670 /nfs/dbraw/zinc/57/26/70/495572670.db2.gz HSAXMPDYZBAXCP-YPMHNXCESA-N -1 1 352.799 3.083 20 5 FGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]n1 ZINC000162935141 496436089 /nfs/dbraw/zinc/43/60/89/496436089.db2.gz MFGFEOJYEDAOTF-JTQLQIEISA-N -1 1 352.416 3.331 20 5 FGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc([C@H]2CCCO2)n1 ZINC000165583126 496662421 /nfs/dbraw/zinc/66/24/21/496662421.db2.gz JQFGHDXBYBYVCM-GFCCVEGCSA-N -1 1 355.322 3.433 20 5 FGBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000193694118 497449085 /nfs/dbraw/zinc/44/90/85/497449085.db2.gz XXAAPIFGVUQIFS-AWEZNQCLSA-N -1 1 351.309 3.101 20 5 FGBDMM CC(C)(C)c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000330531199 498148137 /nfs/dbraw/zinc/14/81/37/498148137.db2.gz SNHREHQDTDFTKG-CYBMUJFWSA-N -1 1 356.444 3.203 20 5 FGBDMM CCc1c([N-]c2nc(C(=O)OC)ccc2[N+](=O)[O-])cnn1CCC(C)C ZINC000572627919 506015511 /nfs/dbraw/zinc/01/55/11/506015511.db2.gz OFHDMHMUDRYKCO-UHFFFAOYSA-N -1 1 361.402 3.325 20 5 FGBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(OC(F)(F)F)cc1 ZINC000302952885 498632623 /nfs/dbraw/zinc/63/26/23/498632623.db2.gz NALPLKAXSVIHIT-QMMMGPOBSA-N -1 1 371.271 3.085 20 5 FGBDMM CCCCc1nnc([N-]C(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])s1 ZINC000294644563 498759772 /nfs/dbraw/zinc/75/97/72/498759772.db2.gz VHEWJFIALYZFGJ-UHFFFAOYSA-N -1 1 354.363 3.189 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1C(=O)[O-] ZINC000324973098 498833235 /nfs/dbraw/zinc/83/32/35/498833235.db2.gz QFEZNNIYJNQHNL-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM Cc1c(C(=O)Nc2c([O-])cccc2Cl)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000579177032 506110085 /nfs/dbraw/zinc/11/00/85/506110085.db2.gz NDJPPIOJLDCXJI-UHFFFAOYSA-N -1 1 373.756 3.095 20 5 FGBDMM O=C([O-])C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cnn(-c2ccccc2)c1 ZINC000426733915 500313054 /nfs/dbraw/zinc/31/30/54/500313054.db2.gz ZVLWAQGFAUWKTK-SFHVURJKSA-N -1 1 366.377 3.086 20 5 FGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000427377318 500386935 /nfs/dbraw/zinc/38/69/35/500386935.db2.gz XPXQHBGTORHUTE-FNORWQNLSA-N -1 1 372.362 3.471 20 5 FGBDMM O=C(NC12CCC(C(F)(F)F)(CC1)CC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000427843711 500439711 /nfs/dbraw/zinc/43/97/11/500439711.db2.gz VNPMWCLGLUYHTK-UHFFFAOYSA-N -1 1 359.304 3.081 20 5 FGBDMM CCOCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000438721657 500815123 /nfs/dbraw/zinc/81/51/23/500815123.db2.gz LCTUJSDKLRNVOS-UHFFFAOYSA-N -1 1 350.396 3.241 20 5 FGBDMM C[C@]1(CCc2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000434622053 500867303 /nfs/dbraw/zinc/86/73/03/500867303.db2.gz ABQCNPLKYZBYSH-IBGZPJMESA-N -1 1 355.394 3.180 20 5 FGBDMM O=C(NCCCOc1ccc2ccccc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444993139 500930371 /nfs/dbraw/zinc/93/03/71/500930371.db2.gz ZVNVEWCGUAIJDZ-UHFFFAOYSA-N -1 1 367.361 3.048 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@]2(CCCc3ccccc32)C1 ZINC000444997386 500931122 /nfs/dbraw/zinc/93/11/22/500931122.db2.gz FMVSJTGNVJHADF-HXUWFJFHSA-N -1 1 367.405 3.206 20 5 FGBDMM O=C(NC1(c2c(Cl)cccc2Cl)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445025074 500934573 /nfs/dbraw/zinc/93/45/73/500934573.db2.gz ZLHQZOIWHDSVSA-UHFFFAOYSA-N -1 1 368.176 3.421 20 5 FGBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1OC ZINC000445180299 500952637 /nfs/dbraw/zinc/95/26/37/500952637.db2.gz AZLFVCOCAYKFQM-LBPRGKRZSA-N -1 1 359.382 3.317 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000435716468 501016443 /nfs/dbraw/zinc/01/64/43/501016443.db2.gz GETOWZYGKSAEMY-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000481959668 501929241 /nfs/dbraw/zinc/92/92/41/501929241.db2.gz RVQDQAYZEKLAIQ-UHFFFAOYSA-N -1 1 372.349 3.348 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)s1 ZINC000480713407 502650274 /nfs/dbraw/zinc/65/02/74/502650274.db2.gz MARNTNRYLNUJLG-DGCLKSJQSA-N -1 1 370.427 3.410 20 5 FGBDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000507019550 503214122 /nfs/dbraw/zinc/21/41/22/503214122.db2.gz CTRNBVRKUOKAHY-UHFFFAOYSA-N -1 1 350.396 3.493 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCc3ccccc32)s1 ZINC000512782872 503630395 /nfs/dbraw/zinc/63/03/95/503630395.db2.gz KEMPDNMXSUFEAL-LBPRGKRZSA-N -1 1 352.437 3.055 20 5 FGBDMM COc1cc(C(=O)Nc2cc(F)ccc2[O-])c([N+](=O)[O-])cc1OC(F)F ZINC000531134850 504199888 /nfs/dbraw/zinc/19/98/88/504199888.db2.gz AIEVHWFRCICOAU-UHFFFAOYSA-N -1 1 372.255 3.302 20 5 FGBDMM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C)c1 ZINC000532451582 504655083 /nfs/dbraw/zinc/65/50/83/504655083.db2.gz RSCOKSLYGVVZPV-UHFFFAOYSA-N -1 1 370.814 3.044 20 5 FGBDMM O=c1[nH]nc(C2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)o1 ZINC000565130030 504803539 /nfs/dbraw/zinc/80/35/39/504803539.db2.gz QZUBPOSFTCASBJ-UHFFFAOYSA-N -1 1 367.365 3.129 20 5 FGBDMM Cc1cc(NCc2ccc(CN(C)C)c(F)c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566290864 505135937 /nfs/dbraw/zinc/13/59/37/505135937.db2.gz LVSRHQSGYCRJAJ-UHFFFAOYSA-N -1 1 361.373 3.414 20 5 FGBDMM CCCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NC)cc1 ZINC000567110628 505366173 /nfs/dbraw/zinc/36/61/73/505366173.db2.gz PZCLFXJVFCCWPU-UHFFFAOYSA-N -1 1 365.411 3.226 20 5 FGBDMM CC(=O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)c1[O-] ZINC000552286992 505451078 /nfs/dbraw/zinc/45/10/78/505451078.db2.gz CGFFYBFCFSWJRV-UHFFFAOYSA-N -1 1 367.317 3.009 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000564558845 505452624 /nfs/dbraw/zinc/45/26/24/505452624.db2.gz ONDHSTISPZQRQS-NSHDSACASA-N -1 1 362.407 3.281 20 5 FGBDMM COc1ccc(C2CCN(Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)nc1 ZINC000593738673 506754027 /nfs/dbraw/zinc/75/40/27/506754027.db2.gz WLZABQUQXFWXFZ-UHFFFAOYSA-N -1 1 371.393 3.076 20 5 FGBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(Cl)c1Cl ZINC000609806351 507009281 /nfs/dbraw/zinc/00/92/81/507009281.db2.gz KKHOLQZNLGPFBO-ZETCQYMHSA-N -1 1 356.165 3.493 20 5 FGBDMM Cc1ccnc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1C1CC1 ZINC000594725869 507256522 /nfs/dbraw/zinc/25/65/22/507256522.db2.gz ATXKJIVIVUOOLW-UHFFFAOYSA-N -1 1 361.423 3.160 20 5 FGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c2ccccc21 ZINC000584743733 507479516 /nfs/dbraw/zinc/47/95/16/507479516.db2.gz YSLFVXHOXLEJLA-SNVBAGLBSA-N -1 1 355.325 3.479 20 5 FGBDMM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000822427201 599125445 /nfs/dbraw/zinc/12/54/45/599125445.db2.gz FDSKPNNNXDCVBJ-SECBINFHSA-N -1 1 357.399 3.035 20 5 FGBDMM O=[N+]([O-])c1cc(N(Cc2ccco2)Cc2ccco2)ccc1-c1nn[n-]n1 ZINC000823635301 607347349 /nfs/dbraw/zinc/34/73/49/607347349.db2.gz VDRJHSKELCEEPO-UHFFFAOYSA-N -1 1 366.337 3.168 20 5 FGBDMM COc1cccc(F)c1[C@H](C)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000826216520 607567228 /nfs/dbraw/zinc/56/72/28/607567228.db2.gz CFDGWARNJQBVHC-VIFPVBQESA-N -1 1 358.333 3.096 20 5 FGBDMM CN(Cc1csc2ccccc12)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821616720 606697847 /nfs/dbraw/zinc/69/78/47/606697847.db2.gz DQYDKWZGQRHZFU-UHFFFAOYSA-N -1 1 367.394 3.021 20 5 FGBDMM CN(Cc1csc2ccccc12)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821616720 606697848 /nfs/dbraw/zinc/69/78/48/606697848.db2.gz DQYDKWZGQRHZFU-UHFFFAOYSA-N -1 1 367.394 3.021 20 5 FGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1csc2ccccc12 ZINC000823625451 606700495 /nfs/dbraw/zinc/70/04/95/606700495.db2.gz WAEOZRQCSZSANY-UHFFFAOYSA-N -1 1 367.394 3.039 20 5 FGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1csc2ccccc12 ZINC000823625451 606700496 /nfs/dbraw/zinc/70/04/96/606700496.db2.gz WAEOZRQCSZSANY-UHFFFAOYSA-N -1 1 367.394 3.039 20 5 FGBDMM CSc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1Cl ZINC000821985114 606715655 /nfs/dbraw/zinc/71/56/55/606715655.db2.gz ZORBJEXHZYBGJN-UHFFFAOYSA-N -1 1 363.790 3.289 20 5 FGBDMM CSc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1Cl ZINC000821985114 606715657 /nfs/dbraw/zinc/71/56/57/606715657.db2.gz ZORBJEXHZYBGJN-UHFFFAOYSA-N -1 1 363.790 3.289 20 5 FGBDMM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000119666014 700635242 /nfs/dbraw/zinc/63/52/42/700635242.db2.gz YTOFQZIXBDOLBW-SNVBAGLBSA-N -1 1 356.425 3.095 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1F ZINC000160832605 705262578 /nfs/dbraw/zinc/26/25/78/705262578.db2.gz UPZLXHAUFUEFLB-UHFFFAOYSA-N -1 1 372.349 3.381 20 5 FGBDMM C[C@H](c1ccccc1)[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000175413244 705546197 /nfs/dbraw/zinc/54/61/97/705546197.db2.gz YANVSGGDUYSFMQ-RYUDHWBXSA-N -1 1 352.387 3.204 20 5 FGBDMM C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000263066168 713735442 /nfs/dbraw/zinc/73/54/42/713735442.db2.gz OAQHRTUDLUZGKC-DGCLKSJQSA-N -1 1 361.423 3.261 20 5 FGBDMM CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000525698131 714369124 /nfs/dbraw/zinc/36/91/24/714369124.db2.gz HQYJXXZLXPBJBT-GFCCVEGCSA-N -1 1 355.803 3.073 20 5 FGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1F ZINC000780067201 724444959 /nfs/dbraw/zinc/44/49/59/724444959.db2.gz FMXOEKIBZYQENT-MRVPVSSYSA-N -1 1 351.261 3.007 20 5 FGBDMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCO2 ZINC000781114800 724529144 /nfs/dbraw/zinc/52/91/44/724529144.db2.gz BZGSAFLVOVAHRB-UHFFFAOYSA-N -1 1 370.770 3.086 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2ccccc2C1 ZINC000725818492 722423475 /nfs/dbraw/zinc/42/34/75/722423475.db2.gz OYETWCIXJJXEEI-CQSZACIVSA-N -1 1 366.826 3.084 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H]1c1cccc(F)c1 ZINC000725827477 722424185 /nfs/dbraw/zinc/42/41/85/722424185.db2.gz DKPBCFORLCPOJK-STQMWFEESA-N -1 1 370.789 3.222 20 5 FGBDMM COc1cc(C(=O)Nc2ccc([O-])c(Cl)c2)c([N+](=O)[O-])cc1OC ZINC000749392289 722727135 /nfs/dbraw/zinc/72/71/35/722727135.db2.gz VGXRQJKPNQDDRY-UHFFFAOYSA-N -1 1 352.730 3.223 20 5 FGBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760406947 723054526 /nfs/dbraw/zinc/05/45/26/723054526.db2.gz UYYHXKVTIQWHSI-ZETCQYMHSA-N -1 1 364.210 3.269 20 5 FGBDMM C[C@H]1CCc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000762543866 723253395 /nfs/dbraw/zinc/25/33/95/723253395.db2.gz WQNMPDLFNYERRL-MEDUHNTESA-N -1 1 364.398 3.336 20 5 FGBDMM Cc1ccc(NC(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(Cl)c1 ZINC000769048945 723675609 /nfs/dbraw/zinc/67/56/09/723675609.db2.gz ODSMKDDUTQIMKS-UHFFFAOYSA-N -1 1 364.741 3.058 20 5 FGBDMM CCc1ccc(C(=O)Nc2nc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC000771575005 723737922 /nfs/dbraw/zinc/73/79/22/723737922.db2.gz VOGPYPNWLVWGFU-UHFFFAOYSA-N -1 1 366.171 3.273 20 5 FGBDMM Cc1ccc(CS(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c(F)c1 ZINC000800052330 724137117 /nfs/dbraw/zinc/13/71/17/724137117.db2.gz QOVUYJRSBYGONL-UHFFFAOYSA-N -1 1 356.350 3.432 20 5 FGBDMM CCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809823740 725271197 /nfs/dbraw/zinc/27/11/97/725271197.db2.gz SAOPUWJRSFQBHR-UHFFFAOYSA-N -1 1 353.227 3.370 20 5 FGBDMM CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809845028 725272775 /nfs/dbraw/zinc/27/27/75/725272775.db2.gz AQDBBVVSDCKNBX-NSHDSACASA-N -1 1 353.227 3.369 20 5 FGBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000814972825 727014988 /nfs/dbraw/zinc/01/49/88/727014988.db2.gz MIRZFDSKASSDJV-SECBINFHSA-N -1 1 358.778 3.427 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCC2CC(F)(F)C2)cc1Cl ZINC000841527582 730253535 /nfs/dbraw/zinc/25/35/35/730253535.db2.gz IGXXNNQDHKKMSO-UHFFFAOYSA-N -1 1 372.752 3.101 20 5 FGBDMM COc1cccc(C2([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)CCC2)c1 ZINC000851842573 731507716 /nfs/dbraw/zinc/50/77/16/731507716.db2.gz LLXCMUMWMRWBQQ-UHFFFAOYSA-N -1 1 368.436 3.023 20 5 FGBDMM CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000918192776 758315538 /nfs/dbraw/zinc/31/55/38/758315538.db2.gz XFQCEEOMHWMFSZ-AWEZNQCLSA-N -1 1 366.414 3.452 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C ZINC000920756848 758597003 /nfs/dbraw/zinc/59/70/03/758597003.db2.gz DKBKJXWVBOTTEB-UHFFFAOYSA-N -1 1 361.423 3.086 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000055678542 221073934 /nfs/dbraw/zinc/07/39/34/221073934.db2.gz DBAJMEJGYKORPB-UHFFFAOYSA-N -1 1 354.359 3.242 20 5 FGBDMM COc1ccccc1-c1nc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000048012111 493772422 /nfs/dbraw/zinc/77/24/22/493772422.db2.gz AHGVHCWFSHUSNY-UHFFFAOYSA-N -1 1 373.756 3.294 20 5 FGBDMM CC(C)c1ccc(OCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066000667 494266890 /nfs/dbraw/zinc/26/68/90/494266890.db2.gz NBXGJRSPQSZFKG-UHFFFAOYSA-N -1 1 370.452 3.137 20 5 FGBDMM CCOc1cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1C ZINC000066588185 494360218 /nfs/dbraw/zinc/36/02/18/494360218.db2.gz RAYLMYMJLHSCDE-UHFFFAOYSA-N -1 1 366.395 3.111 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2nccn2C)c1 ZINC000108638812 494753057 /nfs/dbraw/zinc/75/30/57/494753057.db2.gz DBPKRSNWQIWKTB-UHFFFAOYSA-N -1 1 372.406 3.105 20 5 FGBDMM CCOCc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000102320648 495129093 /nfs/dbraw/zinc/12/90/93/495129093.db2.gz NBVDRIJTKQKBDW-UHFFFAOYSA-N -1 1 350.396 3.241 20 5 FGBDMM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)o1 ZINC000186919399 496211805 /nfs/dbraw/zinc/21/18/05/496211805.db2.gz VYWQJMZLIBWVPB-HZMBPMFUSA-N -1 1 357.366 3.217 20 5 FGBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(C)noc2C2CC2)cc1OC ZINC000154108485 496685291 /nfs/dbraw/zinc/68/52/91/496685291.db2.gz SHUBYBFOSIUDKR-UHFFFAOYSA-N -1 1 361.354 3.428 20 5 FGBDMM O=c1cc(C2CC2)nc(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[n-]1 ZINC000188148724 496702417 /nfs/dbraw/zinc/70/24/17/496702417.db2.gz QVKZACMCVJMCFP-UHFFFAOYSA-N -1 1 371.378 3.310 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000191564480 496813880 /nfs/dbraw/zinc/81/38/80/496813880.db2.gz UGBSOSPFDHBPES-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM Cc1sc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000365637576 498572539 /nfs/dbraw/zinc/57/25/39/498572539.db2.gz LDZOIQVGWSLWBC-UHFFFAOYSA-N -1 1 370.390 3.057 20 5 FGBDMM C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303437357 498673997 /nfs/dbraw/zinc/67/39/97/498673997.db2.gz DUWXYDMUAHLVGM-SECBINFHSA-N -1 1 369.299 3.075 20 5 FGBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000366327473 498875827 /nfs/dbraw/zinc/87/58/27/498875827.db2.gz ZSRJNBNNAPUJMZ-UHFFFAOYSA-N -1 1 372.352 3.175 20 5 FGBDMM C[C@@]1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCC[N@H+]1Cc1ccccc1 ZINC000397974206 499565449 /nfs/dbraw/zinc/56/54/49/499565449.db2.gz JZMQRPVSGRYIEB-FQEVSTJZSA-N -1 1 369.421 3.085 20 5 FGBDMM COc1cc(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000443118560 500682453 /nfs/dbraw/zinc/68/24/53/500682453.db2.gz PRYMVTFQGWXAGS-UHFFFAOYSA-N -1 1 352.730 3.223 20 5 FGBDMM Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443575916 500740646 /nfs/dbraw/zinc/74/06/46/500740646.db2.gz PAGKRJVVRHBDSL-UHFFFAOYSA-N -1 1 357.244 3.034 20 5 FGBDMM Cc1ccc(F)c(-c2cc(=NC(=O)Cc3ccc([N+](=O)[O-])cc3F)[nH][n-]2)c1 ZINC000444820702 500907184 /nfs/dbraw/zinc/90/71/84/500907184.db2.gz XVCIQPIFHSDQOX-UHFFFAOYSA-N -1 1 372.331 3.175 20 5 FGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000434974601 500917856 /nfs/dbraw/zinc/91/78/56/500917856.db2.gz UBNAFBILKOCLRA-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM CC1(c2ccccc2)CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000444966538 500926916 /nfs/dbraw/zinc/92/69/16/500926916.db2.gz OKGAMMBZWRLKFH-UHFFFAOYSA-N -1 1 355.394 3.326 20 5 FGBDMM O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445186653 500952954 /nfs/dbraw/zinc/95/29/54/500952954.db2.gz SDOSISHCNAKXAZ-JQWIXIFHSA-N -1 1 367.283 3.000 20 5 FGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000445217270 500955796 /nfs/dbraw/zinc/95/57/96/500955796.db2.gz PIECKFREBOPOOR-GVDBMIGSSA-N -1 1 367.405 3.494 20 5 FGBDMM Cc1c(Cl)cccc1NC(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000445331526 500974384 /nfs/dbraw/zinc/97/43/84/500974384.db2.gz IQFDQFWJTKRTOT-UHFFFAOYSA-N -1 1 361.745 3.116 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3F)C2)s1 ZINC000435602229 500999851 /nfs/dbraw/zinc/99/98/51/500999851.db2.gz BPKZUPDWQSEJMA-MGCOHNPYSA-N -1 1 356.400 3.020 20 5 FGBDMM CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O1 ZINC000442221632 501208667 /nfs/dbraw/zinc/20/86/67/501208667.db2.gz LQGYMQSRGWXWLR-INIZCTEOSA-N -1 1 364.379 3.293 20 5 FGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(CC(C)(C)C)n[nH]2)cc1C ZINC000474428982 501833497 /nfs/dbraw/zinc/83/34/97/501833497.db2.gz VPKWMZBPSPGEPO-UHFFFAOYSA-N -1 1 366.443 3.324 20 5 FGBDMM O=C(NC1CC(c2ccc(F)c(Cl)c2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000467862692 501893447 /nfs/dbraw/zinc/89/34/47/501893447.db2.gz ICBRLTABLCOIGE-UHFFFAOYSA-N -1 1 365.748 3.164 20 5 FGBDMM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000485882915 501975015 /nfs/dbraw/zinc/97/50/15/501975015.db2.gz MYERVDDPVJLQHZ-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM CCCN(CCC)C(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000486423567 502149895 /nfs/dbraw/zinc/14/98/95/502149895.db2.gz REVMSYFDIRTYPR-UHFFFAOYSA-N -1 1 358.398 3.437 20 5 FGBDMM Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000479129496 502172348 /nfs/dbraw/zinc/17/23/48/502172348.db2.gz MBRINZJSZHMRMR-UHFFFAOYSA-N -1 1 366.786 3.234 20 5 FGBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)OC)ccc1[O-] ZINC000505731457 502974997 /nfs/dbraw/zinc/97/49/97/502974997.db2.gz MYRFQCUVBPZQQP-ZDUSSCGKSA-N -1 1 372.377 3.294 20 5 FGBDMM CSc1cc2c(cc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1F)OCCO2 ZINC000505921459 503013606 /nfs/dbraw/zinc/01/36/06/503013606.db2.gz RWZZCKAAKOSNAA-UHFFFAOYSA-N -1 1 364.354 3.479 20 5 FGBDMM O=C(Nc1cc(CC2CC2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000502216830 503164602 /nfs/dbraw/zinc/16/46/02/503164602.db2.gz BMVXZZLGTIXZFA-UHFFFAOYSA-N -1 1 351.366 3.313 20 5 FGBDMM CC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)ccc1F ZINC000507587816 503327465 /nfs/dbraw/zinc/32/74/65/503327465.db2.gz XHTCGHSCCAFLDC-UHFFFAOYSA-N -1 1 366.370 3.354 20 5 FGBDMM Cc1ccc(C[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000515893448 503417054 /nfs/dbraw/zinc/41/70/54/503417054.db2.gz IRXNSHGTRGUWSH-OAHLLOKOSA-N -1 1 355.394 3.099 20 5 FGBDMM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1OC(F)F ZINC000504351046 503561422 /nfs/dbraw/zinc/56/14/22/503561422.db2.gz VWWYSXYNKJMKLB-UHFFFAOYSA-N -1 1 352.253 3.250 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n[nH]c1-c1ccccc1 ZINC000540210002 503711325 /nfs/dbraw/zinc/71/13/25/503711325.db2.gz XEWRKOSDUUAEQK-UHFFFAOYSA-N -1 1 364.408 3.156 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000538002155 504109137 /nfs/dbraw/zinc/10/91/37/504109137.db2.gz IQTPEUSJMWKKKM-UHFFFAOYSA-N -1 1 362.407 3.337 20 5 FGBDMM O=C(Nc1ccc(F)cc1[O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000534705028 504219116 /nfs/dbraw/zinc/21/91/16/504219116.db2.gz KRQNJEWDQIWJPF-UHFFFAOYSA-N -1 1 355.119 3.454 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 ZINC000539855534 504718996 /nfs/dbraw/zinc/71/89/96/504718996.db2.gz JPIFBWXSMWPWAX-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1[N+](=O)[O-] ZINC000536460696 504739919 /nfs/dbraw/zinc/73/99/19/504739919.db2.gz YORALJBWRSUTSR-UHFFFAOYSA-N -1 1 362.407 3.418 20 5 FGBDMM COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)N(C)C ZINC000556728885 504955123 /nfs/dbraw/zinc/95/51/23/504955123.db2.gz PWFFXEXWWKOUEZ-MRXNPFEDSA-N -1 1 359.382 3.016 20 5 FGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000555129883 505358296 /nfs/dbraw/zinc/35/82/96/505358296.db2.gz RCDFRRBSAQETKQ-UHFFFAOYSA-N -1 1 350.396 3.104 20 5 FGBDMM CCC(CC)c1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s1 ZINC000603941495 506665101 /nfs/dbraw/zinc/66/51/01/506665101.db2.gz GRQUHQPDWWIOBS-UHFFFAOYSA-N -1 1 364.383 3.331 20 5 FGBDMM O=C(Nc1ccnn1[C@H]1CCCc2ccccc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000608962134 506752575 /nfs/dbraw/zinc/75/25/75/506752575.db2.gz XEQBDPRDDLPYBX-HNNXBMFYSA-N -1 1 351.366 3.297 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccccc3F)CCC2)s1 ZINC000592072736 507474808 /nfs/dbraw/zinc/47/48/08/507474808.db2.gz FZMWVIBFNGILMG-UHFFFAOYSA-N -1 1 356.400 3.153 20 5 FGBDMM O=C([O-])/C=C/c1ccc(Nc2cnn(-c3ccncc3)c2)c([N+](=O)[O-])c1 ZINC000739626907 600024079 /nfs/dbraw/zinc/02/40/79/600024079.db2.gz WBRJCAWYUSETFF-DUXPYHPUSA-N -1 1 351.322 3.017 20 5 FGBDMM COc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1 ZINC000826190303 607450658 /nfs/dbraw/zinc/45/06/58/607450658.db2.gz XBXOAKRXMYUVOS-MRXNPFEDSA-N -1 1 366.381 3.125 20 5 FGBDMM COc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1 ZINC000826190303 607450661 /nfs/dbraw/zinc/45/06/61/607450661.db2.gz XBXOAKRXMYUVOS-MRXNPFEDSA-N -1 1 366.381 3.125 20 5 FGBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2CCc2ccccc2)cc1-c1nnn[n-]1 ZINC000826499022 607453065 /nfs/dbraw/zinc/45/30/65/607453065.db2.gz RZYOOHWQMAHRME-HNNXBMFYSA-N -1 1 364.409 3.377 20 5 FGBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2CCc2ccccc2)cc1-c1nn[n-]n1 ZINC000826499022 607453066 /nfs/dbraw/zinc/45/30/66/607453066.db2.gz RZYOOHWQMAHRME-HNNXBMFYSA-N -1 1 364.409 3.377 20 5 FGBDMM O=C([O-])N1CCC(N(Cc2cc(Cl)ccc2[N+](=O)[O-])C2CC2)CC1 ZINC000831941570 603995296 /nfs/dbraw/zinc/99/52/96/603995296.db2.gz FTUWUBQQGOOBLV-UHFFFAOYSA-N -1 1 353.806 3.355 20 5 FGBDMM C[C@@H]1CC[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2ccccc21 ZINC000824916531 607738783 /nfs/dbraw/zinc/73/87/83/607738783.db2.gz KIBGNBOVMZULMA-YGRLFVJLSA-N -1 1 351.370 3.220 20 5 FGBDMM C[C@@H]1CC[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c2ccccc21 ZINC000824916531 607738784 /nfs/dbraw/zinc/73/87/84/607738784.db2.gz KIBGNBOVMZULMA-YGRLFVJLSA-N -1 1 351.370 3.220 20 5 FGBDMM CCc1ccc(Oc2snc(Cl)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000825717779 608183717 /nfs/dbraw/zinc/18/37/17/608183717.db2.gz PQZSZMVTFCMSBA-UHFFFAOYSA-N -1 1 352.763 3.240 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)cs1 ZINC000120011429 700645684 /nfs/dbraw/zinc/64/56/84/700645684.db2.gz BPJZUVLHZOXAOZ-UHFFFAOYSA-N -1 1 371.415 3.196 20 5 FGBDMM Cc1cc(C(=O)Nc2nc(Br)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000121573876 700675705 /nfs/dbraw/zinc/67/57/05/700675705.db2.gz ASJKBCOGQRXNAX-UHFFFAOYSA-N -1 1 352.144 3.019 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000129819921 700792482 /nfs/dbraw/zinc/79/24/82/700792482.db2.gz MDIKFMGZSULCED-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM Nc1c(Cl)cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000170994351 705370077 /nfs/dbraw/zinc/37/00/77/705370077.db2.gz IJCAWMFZAYAMKL-UHFFFAOYSA-N -1 1 362.194 3.285 20 5 FGBDMM CCC(C)(CC)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000226643512 713572795 /nfs/dbraw/zinc/57/27/95/713572795.db2.gz BUXKOCAFXJRORL-UHFFFAOYSA-N -1 1 365.249 3.214 20 5 FGBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000779665051 724421212 /nfs/dbraw/zinc/42/12/12/724421212.db2.gz QBRGQEQDYQKALC-QMMMGPOBSA-N -1 1 360.757 3.321 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCc2cc(F)ccc21 ZINC000725825564 722423739 /nfs/dbraw/zinc/42/37/39/722423739.db2.gz AXSLKLGGXMKOLL-CYBMUJFWSA-N -1 1 370.789 3.353 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1 ZINC000725826631 722423952 /nfs/dbraw/zinc/42/39/52/722423952.db2.gz HINQOHGBCIFTKM-CHWSQXEVSA-N -1 1 352.799 3.083 20 5 FGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CC1 ZINC000739975866 722534548 /nfs/dbraw/zinc/53/45/48/722534548.db2.gz GKXFTUZNICNCCK-UHFFFAOYSA-N -1 1 370.789 3.355 20 5 FGBDMM Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000741259621 722544006 /nfs/dbraw/zinc/54/40/06/722544006.db2.gz NXYQTTSHSVTLGD-LBPRGKRZSA-N -1 1 352.387 3.124 20 5 FGBDMM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000748657427 722700585 /nfs/dbraw/zinc/70/05/85/722700585.db2.gz TXYUMTXTUPSCOQ-ZYHUDNBSSA-N -1 1 364.876 3.201 20 5 FGBDMM CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000748657418 722700594 /nfs/dbraw/zinc/70/05/94/722700594.db2.gz TXYUMTXTUPSCOQ-CMPLNLGQSA-N -1 1 364.876 3.201 20 5 FGBDMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000790052544 723099946 /nfs/dbraw/zinc/09/99/46/723099946.db2.gz YFYIIMQOYNFBNR-UHFFFAOYSA-N -1 1 359.672 3.203 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(C2CCCCC2)n[nH]1 ZINC000761840555 723189590 /nfs/dbraw/zinc/18/95/90/723189590.db2.gz HILASYDZDWOEKZ-UHFFFAOYSA-N -1 1 368.390 3.306 20 5 FGBDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C(F)(F)F ZINC000767603954 723625416 /nfs/dbraw/zinc/62/54/16/723625416.db2.gz ITBOYLHZKPMVEG-JMCQJSRRSA-N -1 1 372.340 3.298 20 5 FGBDMM CC(C)c1cccc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000773021729 723774620 /nfs/dbraw/zinc/77/46/20/723774620.db2.gz BNKCBJPDFXYVDG-UHFFFAOYSA-N -1 1 352.387 3.336 20 5 FGBDMM CSc1ccccc1[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000800155576 724156685 /nfs/dbraw/zinc/15/66/85/724156685.db2.gz PBIXIMYHLQQZGR-SNVBAGLBSA-N -1 1 370.427 3.495 20 5 FGBDMM CCCc1ccc([N-]S(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cc1 ZINC000777600658 724242703 /nfs/dbraw/zinc/24/27/03/724242703.db2.gz XCWBMWAFKVKYHL-UHFFFAOYSA-N -1 1 368.386 3.496 20 5 FGBDMM CSCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809818836 725270800 /nfs/dbraw/zinc/27/08/00/725270800.db2.gz PYOWAAHEQZMHRH-SSDOTTSWSA-N -1 1 373.283 3.322 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCS2)c(Cl)cc1Cl ZINC000809825588 725271360 /nfs/dbraw/zinc/27/13/60/725271360.db2.gz JBBCIPDGKFVYTD-ZETCQYMHSA-N -1 1 371.267 3.076 20 5 FGBDMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000817391772 727246560 /nfs/dbraw/zinc/24/65/60/727246560.db2.gz DFJDUQMDWGCRBS-JTQLQIEISA-N -1 1 350.824 3.051 20 5 FGBDMM CSC(C)(C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830755054 729592052 /nfs/dbraw/zinc/59/20/52/729592052.db2.gz VDOFFMRVFVCKIE-UHFFFAOYSA-N -1 1 373.283 3.322 20 5 FGBDMM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(Cl)Cl ZINC000832153431 729693401 /nfs/dbraw/zinc/69/34/01/729693401.db2.gz UACVWQYUKHRQSD-SNVBAGLBSA-N -1 1 373.645 3.110 20 5 FGBDMM C[C@]1(C(=O)[O-])CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000901699835 743622404 /nfs/dbraw/zinc/62/24/04/743622404.db2.gz OKGZGSGYLBSLCI-KRWDZBQOSA-N -1 1 361.423 3.405 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000903100277 743804538 /nfs/dbraw/zinc/80/45/38/743804538.db2.gz MCFGAISRPVMSIY-NSHDSACASA-N -1 1 353.227 3.229 20 5 FGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)C[C@@]1(C)CC1(Cl)Cl ZINC000903100276 743804814 /nfs/dbraw/zinc/80/48/14/743804814.db2.gz MCFGAISRPVMSIY-LLVKDONJSA-N -1 1 353.227 3.229 20 5 FGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1csc2ccccc12 ZINC000918194471 758315312 /nfs/dbraw/zinc/31/53/12/758315312.db2.gz YDKZSRDHZDDZTL-UHFFFAOYSA-N -1 1 366.395 3.427 20 5 FGBDMM O=C([O-])C[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Br ZINC000923255101 759091008 /nfs/dbraw/zinc/09/10/08/759091008.db2.gz BYVCYYVWAKECCV-NSHDSACASA-N -1 1 357.204 3.187 20 5 FGBDMM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000055678430 221073640 /nfs/dbraw/zinc/07/36/40/221073640.db2.gz OPMKOYBRZKYSFY-UHFFFAOYSA-N -1 1 354.359 3.242 20 5 FGBDMM O=C(Nc1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000085590264 494133002 /nfs/dbraw/zinc/13/30/02/494133002.db2.gz HBAPIOCQTRXWSS-UHFFFAOYSA-N -1 1 355.119 3.454 20 5 FGBDMM Cc1cccc(C)c1OC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001679 494267847 /nfs/dbraw/zinc/26/78/47/494267847.db2.gz LRLCPHKFTGQIML-GFCCVEGCSA-N -1 1 370.452 3.019 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000016095707 494377363 /nfs/dbraw/zinc/37/73/63/494377363.db2.gz JQMPAJQLKUUEKR-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000055687858 494390274 /nfs/dbraw/zinc/39/02/74/494390274.db2.gz ZMEQSHDMWZNHBK-UHFFFAOYSA-N -1 1 350.396 3.493 20 5 FGBDMM CCc1nnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000079381895 494442894 /nfs/dbraw/zinc/44/28/94/494442894.db2.gz ONNWLKFCLIKXKW-UHFFFAOYSA-N -1 1 357.189 3.024 20 5 FGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OC(C)(C)O2 ZINC000047251010 494663734 /nfs/dbraw/zinc/66/37/34/494663734.db2.gz HTDVGIOBTRAXTO-UHFFFAOYSA-N -1 1 364.379 3.211 20 5 FGBDMM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185684834 495677845 /nfs/dbraw/zinc/67/78/45/495677845.db2.gz MZELLMLZUBYTRA-NSHDSACASA-N -1 1 369.381 3.117 20 5 FGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ncccc2Cl)cc1[N+](=O)[O-] ZINC000180199990 495903805 /nfs/dbraw/zinc/90/38/05/495903805.db2.gz LIYIZEUDXKWKMA-UHFFFAOYSA-N -1 1 362.194 3.406 20 5 FGBDMM Cc1ccc2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])c([O-])cc3C)c2n1 ZINC000156964176 496375727 /nfs/dbraw/zinc/37/57/27/496375727.db2.gz QUDNOIZSVXGRNB-UHFFFAOYSA-N -1 1 373.390 3.266 20 5 FGBDMM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000175621815 496469310 /nfs/dbraw/zinc/46/93/10/496469310.db2.gz IEWLPLXZGLDJTD-MRVPVSSYSA-N -1 1 361.832 3.053 20 5 FGBDMM Cc1c(C(=O)Nc2ccc(Cl)cc2[O-])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000153496276 496475736 /nfs/dbraw/zinc/47/57/36/496475736.db2.gz JTOTTZVTNSNBHS-UHFFFAOYSA-N -1 1 373.756 3.095 20 5 FGBDMM Cc1ccccc1CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])c2ncccc12 ZINC000184965687 496602947 /nfs/dbraw/zinc/60/29/47/496602947.db2.gz DYGGMKSSBBUECI-UHFFFAOYSA-N -1 1 357.391 3.393 20 5 FGBDMM CC[C@H](C)c1cc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)on1 ZINC000175994066 496635400 /nfs/dbraw/zinc/63/54/00/496635400.db2.gz MOZQOXGZSMJDQP-VIFPVBQESA-N -1 1 356.342 3.134 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c(C)c1F ZINC000165140276 496649574 /nfs/dbraw/zinc/64/95/74/496649574.db2.gz QWGCLASFFOSDCI-UHFFFAOYSA-N -1 1 368.386 3.469 20 5 FGBDMM COc1ccc([C@@H]2CCCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000188094613 496680889 /nfs/dbraw/zinc/68/08/89/496680889.db2.gz NAZNGJCEMNWBNG-INIZCTEOSA-N -1 1 371.393 3.462 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000194666955 497734129 /nfs/dbraw/zinc/73/41/29/497734129.db2.gz GZHOZXCHQRXUDQ-UHFFFAOYSA-N -1 1 356.350 3.432 20 5 FGBDMM O=C([O-])c1cccc(OCCN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000578756106 506014080 /nfs/dbraw/zinc/01/40/80/506014080.db2.gz DHGOGXZNWYRYCL-UHFFFAOYSA-N -1 1 356.378 3.336 20 5 FGBDMM Cc1sc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)cc1[N+](=O)[O-] ZINC000431626119 500400649 /nfs/dbraw/zinc/40/06/49/500400649.db2.gz SXBBGMGIJQRNKO-GFCCVEGCSA-N -1 1 362.379 3.249 20 5 FGBDMM COc1cc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1C ZINC000435734930 501020322 /nfs/dbraw/zinc/02/03/22/501020322.db2.gz YZVUHNFRHVFKMQ-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM O=C([O-])CCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000582491596 506253749 /nfs/dbraw/zinc/25/37/49/506253749.db2.gz DFLDVKUMBJYJNT-UHFFFAOYSA-N -1 1 368.393 3.338 20 5 FGBDMM Cc1c(=O)[n-]c(SCc2c([N+](=O)[O-])ncn2C)nc1-c1ccccc1 ZINC000467209097 501738364 /nfs/dbraw/zinc/73/83/64/501738364.db2.gz VSNBBTLBPQZTSB-UHFFFAOYSA-N -1 1 357.395 3.092 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)n[nH]2)c(F)c1 ZINC000474425523 501831473 /nfs/dbraw/zinc/83/14/73/501831473.db2.gz GJRQCNADEDTCPT-UHFFFAOYSA-N -1 1 368.390 3.306 20 5 FGBDMM CCOc1cc(Br)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000478429162 501979120 /nfs/dbraw/zinc/97/91/20/501979120.db2.gz PAZFPLPYSFXCFK-UHFFFAOYSA-N -1 1 354.160 3.336 20 5 FGBDMM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)on1 ZINC000485986788 502012035 /nfs/dbraw/zinc/01/20/35/502012035.db2.gz XJVPFJWTCPRRQS-SECBINFHSA-N -1 1 361.354 3.444 20 5 FGBDMM O=C([N-]c1nc2cc(Cl)ccn2n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000464641305 502051773 /nfs/dbraw/zinc/05/17/73/502051773.db2.gz CPKWQRJVJSALBW-UHFFFAOYSA-N -1 1 357.713 3.289 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3ccc(F)cc32)s1 ZINC000480962331 502714878 /nfs/dbraw/zinc/71/48/78/502714878.db2.gz MQUNQRCXEQMVEY-GFCCVEGCSA-N -1 1 356.400 3.151 20 5 FGBDMM CC(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)(c1ccccc1)c1ccccc1 ZINC000484761283 502734096 /nfs/dbraw/zinc/73/40/96/502734096.db2.gz TXHVOXRWJNJARC-UHFFFAOYSA-N -1 1 363.373 3.389 20 5 FGBDMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000488948666 502845120 /nfs/dbraw/zinc/84/51/20/502845120.db2.gz UIXDHERMSNOFAK-DTWKUNHWSA-N -1 1 365.249 3.070 20 5 FGBDMM Cc1ccc(-c2cc(=NC(=O)CCNc3ccccc3[N+](=O)[O-])[nH][n-]2)s1 ZINC000500865334 502881336 /nfs/dbraw/zinc/88/13/36/502881336.db2.gz UOHLJVYBUBJUJM-UHFFFAOYSA-N -1 1 371.422 3.217 20 5 FGBDMM CC(C)c1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000511295496 503295007 /nfs/dbraw/zinc/29/50/07/503295007.db2.gz KIVQJNMKHBPJBV-UHFFFAOYSA-N -1 1 364.379 3.217 20 5 FGBDMM CCOc1cccc2cc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)oc21 ZINC000512560923 503584211 /nfs/dbraw/zinc/58/42/11/503584211.db2.gz HICHAFJBEZFBPA-SNVBAGLBSA-N -1 1 371.349 3.331 20 5 FGBDMM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc(Cl)c1OC ZINC000504795996 503616306 /nfs/dbraw/zinc/61/63/06/503616306.db2.gz OKNBLJVROYRUDS-UHFFFAOYSA-N -1 1 350.718 3.311 20 5 FGBDMM CC[C@@H](C)n1nc([N-]c2ncc([N+](=O)[O-])cc2Br)cc1C ZINC000540492919 503791170 /nfs/dbraw/zinc/79/11/70/503791170.db2.gz PMMICIAVWWMIRZ-MRVPVSSYSA-N -1 1 354.208 3.394 20 5 FGBDMM CCOC(=O)c1ccc(NC(=O)c2c(OCC)cccc2[N+](=O)[O-])c([O-])c1 ZINC000537286129 503868713 /nfs/dbraw/zinc/86/87/13/503868713.db2.gz GXORGGAGQZJSAI-UHFFFAOYSA-N -1 1 374.349 3.128 20 5 FGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 ZINC000538755447 504360140 /nfs/dbraw/zinc/36/01/40/504360140.db2.gz VUILZKPTNXQXFP-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM Cn1ncc2c1nc(Oc1ccc(-c3ccccc3)cc1[N+](=O)[O-])[n-]c2=O ZINC000538870268 504400158 /nfs/dbraw/zinc/40/01/58/504400158.db2.gz SGIYOXINNJEIEW-UHFFFAOYSA-N -1 1 363.333 3.436 20 5 FGBDMM O=C(Nc1cccc2c1CN(c1nccs1)C2)c1ccc([N+](=O)[O-])[n-]1 ZINC000536295017 504689779 /nfs/dbraw/zinc/68/97/79/504689779.db2.gz DZJOFCIMRBYZBE-UHFFFAOYSA-N -1 1 355.379 3.152 20 5 FGBDMM CCOc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1C ZINC000555973835 504774902 /nfs/dbraw/zinc/77/49/02/504774902.db2.gz FRIXSKYEIHPYHT-UHFFFAOYSA-N -1 1 350.396 3.411 20 5 FGBDMM CCn1cc(S(=O)(=O)[N-]C2CCC(C(C)(C)CC)CC2)c([N+](=O)[O-])n1 ZINC000559139135 504789317 /nfs/dbraw/zinc/78/93/17/504789317.db2.gz LSHVWRBDALZMJG-UHFFFAOYSA-N -1 1 372.491 3.085 20 5 FGBDMM O=c1[n-]nc([C@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)o1 ZINC000550346706 505026533 /nfs/dbraw/zinc/02/65/33/505026533.db2.gz PQZSSJIRZAPCHG-ZDUSSCGKSA-N -1 1 367.365 3.129 20 5 FGBDMM Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000554944616 505306034 /nfs/dbraw/zinc/30/60/34/505306034.db2.gz WAHJZCOXXUICSU-UHFFFAOYSA-N -1 1 370.337 3.067 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3s2)s1 ZINC000555413650 505426963 /nfs/dbraw/zinc/42/69/63/505426963.db2.gz XZRUYPVXYHAHAX-UHFFFAOYSA-N -1 1 368.461 3.392 20 5 FGBDMM Cc1cc(NCCN2CCc3sccc3C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000583384249 506749925 /nfs/dbraw/zinc/74/99/25/506749925.db2.gz MHWXUSFLIZUJFR-UHFFFAOYSA-N -1 1 361.423 3.133 20 5 FGBDMM O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604240636 506762082 /nfs/dbraw/zinc/76/20/82/506762082.db2.gz GQVUDBVFBHURAF-UHFFFAOYSA-N -1 1 351.366 3.444 20 5 FGBDMM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1c([O-])cccc1F ZINC000610339644 507200633 /nfs/dbraw/zinc/20/06/33/507200633.db2.gz BITKAPRXORFTCP-QMMMGPOBSA-N -1 1 354.721 3.499 20 5 FGBDMM CCCCc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[nH]n1 ZINC000598733972 507573423 /nfs/dbraw/zinc/57/34/23/507573423.db2.gz HOECXOSDLZPWQS-UHFFFAOYSA-N -1 1 352.416 3.078 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]nc1C(C)C ZINC000592385057 507632572 /nfs/dbraw/zinc/63/25/72/507632572.db2.gz MNTDJVJAZWVUNO-UHFFFAOYSA-N -1 1 358.807 3.204 20 5 FGBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c1[O-] ZINC000588098196 507761386 /nfs/dbraw/zinc/76/13/86/507761386.db2.gz IAALBMODKRVEAR-UHFFFAOYSA-N -1 1 364.741 3.301 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NC(=O)[O-])c1C ZINC000740096327 602653467 /nfs/dbraw/zinc/65/34/67/602653467.db2.gz DBTRDEBSIMMUAU-UHFFFAOYSA-N -1 1 365.367 3.102 20 5 FGBDMM C[C@@H]1CC[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c2ccccc21 ZINC000824916529 607738636 /nfs/dbraw/zinc/73/86/36/607738636.db2.gz KIBGNBOVMZULMA-QMTHXVAHSA-N -1 1 351.370 3.220 20 5 FGBDMM C[C@@H]1CC[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c2ccccc21 ZINC000824916529 607738637 /nfs/dbraw/zinc/73/86/37/607738637.db2.gz KIBGNBOVMZULMA-QMTHXVAHSA-N -1 1 351.370 3.220 20 5 FGBDMM CN(Cc1nc2ccccc2s1)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821618017 606644989 /nfs/dbraw/zinc/64/49/89/606644989.db2.gz MGBITTNTGWIPBQ-UHFFFAOYSA-N -1 1 367.394 3.021 20 5 FGBDMM CCc1ccc(C(C)(C)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821475937 606716536 /nfs/dbraw/zinc/71/65/36/606716536.db2.gz DPXITJURCDVSDE-UHFFFAOYSA-N -1 1 367.413 3.122 20 5 FGBDMM CCc1ccc(C(C)(C)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821475937 606716538 /nfs/dbraw/zinc/71/65/38/606716538.db2.gz DPXITJURCDVSDE-UHFFFAOYSA-N -1 1 367.413 3.122 20 5 FGBDMM CCc1ccc(Oc2nnc(CC)c(CC)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821486261 606937283 /nfs/dbraw/zinc/93/72/83/606937283.db2.gz BBJNXFHHFKCTJQ-UHFFFAOYSA-N -1 1 369.385 3.044 20 5 FGBDMM CCc1ccc(Oc2nnc(CC)c(CC)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821486261 606937285 /nfs/dbraw/zinc/93/72/85/606937285.db2.gz BBJNXFHHFKCTJQ-UHFFFAOYSA-N -1 1 369.385 3.044 20 5 FGBDMM CC(C)(C)c1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819958567 607168300 /nfs/dbraw/zinc/16/83/00/607168300.db2.gz OWKNAAFGNJWLOB-UHFFFAOYSA-N -1 1 367.413 3.122 20 5 FGBDMM CC(C)(C)c1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819958567 607168301 /nfs/dbraw/zinc/16/83/01/607168301.db2.gz OWKNAAFGNJWLOB-UHFFFAOYSA-N -1 1 367.413 3.122 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3F)ccc12 ZINC000093909443 700456245 /nfs/dbraw/zinc/45/62/45/700456245.db2.gz KAPBFYAOGQAWFJ-UHFFFAOYSA-N -1 1 364.358 3.028 20 5 FGBDMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc12 ZINC000093909352 700456387 /nfs/dbraw/zinc/45/63/87/700456387.db2.gz POKLJHAIZWDVLL-UHFFFAOYSA-N -1 1 366.786 3.234 20 5 FGBDMM C[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Sc1ccccc1 ZINC000173784676 705471613 /nfs/dbraw/zinc/47/16/13/705471613.db2.gz KMEPTZPRTVDJJR-LLVKDONJSA-N -1 1 370.427 3.193 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000522365435 714184861 /nfs/dbraw/zinc/18/48/61/714184861.db2.gz WVKLDFOXZSZSJL-UHFFFAOYSA-N -1 1 350.396 3.491 20 5 FGBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000522620981 714196341 /nfs/dbraw/zinc/19/63/41/714196341.db2.gz BICZJTWIJKWGLC-UHFFFAOYSA-N -1 1 352.799 3.216 20 5 FGBDMM CCc1ccc([C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(C)C)cc1 ZINC000525129016 714322084 /nfs/dbraw/zinc/32/20/84/714322084.db2.gz APEYXVARTYVDRY-MRXNPFEDSA-N -1 1 363.439 3.228 20 5 FGBDMM Cc1ccccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725817820 722423456 /nfs/dbraw/zinc/42/34/56/722423456.db2.gz NRRBDMUKUQHZIY-UHFFFAOYSA-N -1 1 354.815 3.078 20 5 FGBDMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000730099250 722465261 /nfs/dbraw/zinc/46/52/61/722465261.db2.gz IFKAAXXFWWYHRP-UHFFFAOYSA-N -1 1 365.392 3.123 20 5 FGBDMM CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000735317737 722515216 /nfs/dbraw/zinc/51/52/16/722515216.db2.gz NWJOOMQLCKNBFD-QWRGUYRKSA-N -1 1 364.876 3.201 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)ccc1Cl ZINC000760620179 723073111 /nfs/dbraw/zinc/07/31/11/723073111.db2.gz YNINQAVKMKZHOM-UHFFFAOYSA-N -1 1 358.725 3.012 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(Cl)n1 ZINC000790406481 723136288 /nfs/dbraw/zinc/13/62/88/723136288.db2.gz UQMLWSUPEXCHNL-UHFFFAOYSA-N -1 1 371.802 3.069 20 5 FGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(F)c([C@H](C)O)c1 ZINC000795378625 723586433 /nfs/dbraw/zinc/58/64/33/723586433.db2.gz AYVFUWCTXAPHOR-NSHDSACASA-N -1 1 368.386 3.205 20 5 FGBDMM O=C(OCc1nnc(-c2ccccc2)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000766735707 723589560 /nfs/dbraw/zinc/58/95/60/723589560.db2.gz OZXULEDRHDODSW-UHFFFAOYSA-N -1 1 357.347 3.176 20 5 FGBDMM Cc1cc(OS(=O)(=O)c2cnc(C(C)C)[n-]2)c(Cl)cc1[N+](=O)[O-] ZINC000796205633 723626205 /nfs/dbraw/zinc/62/62/05/723626205.db2.gz PTAFYUNNHDYZHS-UHFFFAOYSA-N -1 1 359.791 3.171 20 5 FGBDMM Cc1cc(OS(=O)(=O)c2c[n-]c(C(C)C)n2)c(Cl)cc1[N+](=O)[O-] ZINC000796205633 723626206 /nfs/dbraw/zinc/62/62/06/723626206.db2.gz PTAFYUNNHDYZHS-UHFFFAOYSA-N -1 1 359.791 3.171 20 5 FGBDMM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000772964358 723773488 /nfs/dbraw/zinc/77/34/88/723773488.db2.gz QRUYZJOJKHLXDS-QMMMGPOBSA-N -1 1 360.757 3.321 20 5 FGBDMM O=C(CSc1nc2ccccc2s1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000797395612 723811640 /nfs/dbraw/zinc/81/16/40/723811640.db2.gz TZKAMEWIWJNYAT-UHFFFAOYSA-N -1 1 373.415 3.253 20 5 FGBDMM COc1cc(Cl)ccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000775294856 723978410 /nfs/dbraw/zinc/97/84/10/723978410.db2.gz HHJSMCZCXFNRPS-UHFFFAOYSA-N -1 1 370.814 3.241 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cs1 ZINC000800930474 724250199 /nfs/dbraw/zinc/25/01/99/724250199.db2.gz MVJDCNOEEMIJLA-UHFFFAOYSA-N -1 1 363.760 3.019 20 5 FGBDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc2n[nH]cc21 ZINC000777937526 724273062 /nfs/dbraw/zinc/27/30/62/724273062.db2.gz SNKHIIBBBOROJE-UHFFFAOYSA-N -1 1 364.358 3.028 20 5 FGBDMM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809829816 725271705 /nfs/dbraw/zinc/27/17/05/725271705.db2.gz NHBCVGDFSZKYNX-VIFPVBQESA-N -1 1 373.793 3.130 20 5 FGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc21 ZINC000814995649 727018151 /nfs/dbraw/zinc/01/81/51/727018151.db2.gz MLYZJCZDRPBCCM-JTQLQIEISA-N -1 1 370.789 3.006 20 5 FGBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CS1 ZINC000841556744 730255954 /nfs/dbraw/zinc/25/59/54/730255954.db2.gz AYACJWRUGPPQIJ-RNFRBKRXSA-N -1 1 371.267 3.074 20 5 FGBDMM C[C@]1(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000845980434 730914899 /nfs/dbraw/zinc/91/48/99/730914899.db2.gz LTLCKZWJZZNDDH-NWDGAFQWSA-N -1 1 371.217 3.231 20 5 FGBDMM CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC=CC1 ZINC000848468005 731168328 /nfs/dbraw/zinc/16/83/28/731168328.db2.gz IZWAKBWISQYMRD-UHFFFAOYSA-N -1 1 351.211 3.289 20 5 FGBDMM CC(C)(C)CN(CC(=O)[O-])Cc1c(Br)cccc1[N+](=O)[O-] ZINC000854244051 731807642 /nfs/dbraw/zinc/80/76/42/731807642.db2.gz NKZCYODYYOBBGW-UHFFFAOYSA-N -1 1 359.220 3.290 20 5 FGBDMM C[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC000903904591 743894645 /nfs/dbraw/zinc/89/46/45/743894645.db2.gz LXDCTTKYNWPVNP-ZANVPECISA-N -1 1 357.204 3.042 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000021512041 220358479 /nfs/dbraw/zinc/35/84/79/220358479.db2.gz AQLMVKMLFDLGGS-UHFFFAOYSA-N -1 1 371.212 3.467 20 5 FGBDMM O=C(c1nc[n-]c1-c1nc(-c2cccc([N+](=O)[O-])c2)no1)c1ccccc1 ZINC000576979128 505637875 /nfs/dbraw/zinc/63/78/75/505637875.db2.gz KWLBXXBTCUIJHI-UHFFFAOYSA-N -1 1 361.317 3.266 20 5 FGBDMM COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)[N-]c2nncs2)cc1 ZINC000031273071 493936528 /nfs/dbraw/zinc/93/65/28/493936528.db2.gz PMWYAZZXRSRYKB-UHFFFAOYSA-N -1 1 372.362 3.500 20 5 FGBDMM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000067951185 494707916 /nfs/dbraw/zinc/70/79/16/494707916.db2.gz CCKBHWUPJMKOCH-MRVPVSSYSA-N -1 1 361.832 3.053 20 5 FGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C2CCCC2)n[nH]1 ZINC000126839008 494847950 /nfs/dbraw/zinc/84/79/50/494847950.db2.gz CPNYZFQMKHXTNA-UHFFFAOYSA-N -1 1 350.400 3.085 20 5 FGBDMM COC(=O)c1cc([N-]C(=O)c2cc(-c3ccccc3)on2)cc([N+](=O)[O-])c1 ZINC000118723721 495027425 /nfs/dbraw/zinc/02/74/25/495027425.db2.gz HRNGULNYMBLKIV-UHFFFAOYSA-N -1 1 367.317 3.289 20 5 FGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c([N+](=O)[O-])c1 ZINC000102748808 495158889 /nfs/dbraw/zinc/15/88/89/495158889.db2.gz LOXPEDCPBZEKKI-UHFFFAOYSA-N -1 1 360.750 3.197 20 5 FGBDMM CCOC(=O)c1ccnc([N-]c2cnn(-c3ccccc3F)c2)c1[N+](=O)[O-] ZINC000154160185 495531113 /nfs/dbraw/zinc/53/11/13/495531113.db2.gz QHVMZEKISAENQX-UHFFFAOYSA-N -1 1 371.328 3.235 20 5 FGBDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000175118274 496254140 /nfs/dbraw/zinc/25/41/40/496254140.db2.gz RMWRCIVJGHFAFH-JTQLQIEISA-N -1 1 356.350 3.221 20 5 FGBDMM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(N(C)C)cc2C)ccc1[N+](=O)[O-] ZINC000179083596 496669274 /nfs/dbraw/zinc/66/92/74/496669274.db2.gz JACUBEDGVURVPR-UHFFFAOYSA-N -1 1 363.439 3.387 20 5 FGBDMM COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000276372078 497556181 /nfs/dbraw/zinc/55/61/81/497556181.db2.gz RAOIEHMGNIPQMA-SECBINFHSA-N -1 1 353.762 3.242 20 5 FGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000263024675 497684446 /nfs/dbraw/zinc/68/44/46/497684446.db2.gz AJJVYKTZOCWDEY-CQSZACIVSA-N -1 1 350.415 3.459 20 5 FGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000330818453 498200078 /nfs/dbraw/zinc/20/00/78/498200078.db2.gz NQQDSEDJPYKBDY-MNOVXSKESA-N -1 1 366.361 3.242 20 5 FGBDMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414443761 499793097 /nfs/dbraw/zinc/79/30/97/499793097.db2.gz SQSSWNLTOYHHRM-UHFFFAOYSA-N -1 1 363.439 3.387 20 5 FGBDMM O=C(NC1CCC(c2ccc(F)cc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445157329 500950245 /nfs/dbraw/zinc/95/02/45/500950245.db2.gz ITJYNNYTSAXHKT-UHFFFAOYSA-N -1 1 359.357 3.291 20 5 FGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1(c2ccccc2)CCCC1 ZINC000445211537 500954824 /nfs/dbraw/zinc/95/48/24/500954824.db2.gz KMENUHPOFFYLFT-CYBMUJFWSA-N -1 1 355.394 3.326 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](Cc3ccccc3)C2)s1 ZINC000445705861 501022264 /nfs/dbraw/zinc/02/22/64/501022264.db2.gz XQCKARQNQDVVOC-UONOGXRCSA-N -1 1 366.464 3.346 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](c3ccccc3F)C2)s1 ZINC000481578225 501820726 /nfs/dbraw/zinc/82/07/26/501820726.db2.gz MITFUHQUNCOISN-WDEREUQCSA-N -1 1 370.427 3.410 20 5 FGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1C ZINC000481593248 501826338 /nfs/dbraw/zinc/82/63/38/501826338.db2.gz CIKIVSZPPCSNDH-UHFFFAOYSA-N -1 1 372.406 3.403 20 5 FGBDMM Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000471125750 501928179 /nfs/dbraw/zinc/92/81/79/501928179.db2.gz UXACKUFTLJTFKQ-UHFFFAOYSA-N -1 1 370.770 3.056 20 5 FGBDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)cc1C ZINC000478710089 502065644 /nfs/dbraw/zinc/06/56/44/502065644.db2.gz JJRDXZMOTDWZOK-UHFFFAOYSA-N -1 1 350.396 3.329 20 5 FGBDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c(C)c1 ZINC000475835080 502304553 /nfs/dbraw/zinc/30/45/53/502304553.db2.gz SAQLDKYLAZYSCL-UHFFFAOYSA-N -1 1 354.359 3.242 20 5 FGBDMM Cc1cc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1Cl ZINC000462126261 502316695 /nfs/dbraw/zinc/31/66/95/502316695.db2.gz MZOQOWUKRPJGSK-UHFFFAOYSA-N -1 1 360.844 3.139 20 5 FGBDMM C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000470454542 502781689 /nfs/dbraw/zinc/78/16/89/502781689.db2.gz ATKMYFIXNLURDK-VIFPVBQESA-N -1 1 360.395 3.087 20 5 FGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCc1ccccc1F ZINC000481261202 502800116 /nfs/dbraw/zinc/80/01/16/502800116.db2.gz SDPLXIYMMGLOKZ-UHFFFAOYSA-N -1 1 372.805 3.298 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)cc1 ZINC000510222701 503073843 /nfs/dbraw/zinc/07/38/43/503073843.db2.gz MHVSCBSWKHGHMG-UHFFFAOYSA-N -1 1 352.334 3.138 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCC(F)(F)C2)c(F)c1 ZINC000490002509 503087237 /nfs/dbraw/zinc/08/72/37/503087237.db2.gz MFECWQGMLHWJBT-SNVBAGLBSA-N -1 1 366.361 3.228 20 5 FGBDMM COCc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000541800568 504259153 /nfs/dbraw/zinc/25/91/53/504259153.db2.gz FJTJJUSWBDRZTK-UHFFFAOYSA-N -1 1 350.396 3.159 20 5 FGBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1OC ZINC000542726290 504588994 /nfs/dbraw/zinc/58/89/94/504588994.db2.gz APDUDPHKAIOYAS-UHFFFAOYSA-N -1 1 366.395 3.030 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2Cl)s1 ZINC000521157320 504663392 /nfs/dbraw/zinc/66/33/92/504663392.db2.gz PFHLEWOVPVYNNT-UHFFFAOYSA-N -1 1 367.235 3.442 20 5 FGBDMM COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000553219836 504855221 /nfs/dbraw/zinc/85/52/21/504855221.db2.gz OZKZOTLBCIKKBN-DOMZBBRYSA-N -1 1 371.393 3.317 20 5 FGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2cccc(Cl)c2)s1 ZINC000554263562 505128444 /nfs/dbraw/zinc/12/84/44/505128444.db2.gz IHURUNZSCFKPOX-UHFFFAOYSA-N -1 1 360.844 3.221 20 5 FGBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C3CC3)s2)cc1SC ZINC000551701811 505286484 /nfs/dbraw/zinc/28/64/84/505286484.db2.gz NTOTXZBAXBXBDA-UHFFFAOYSA-N -1 1 366.424 3.307 20 5 FGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)c1 ZINC000555005892 505326745 /nfs/dbraw/zinc/32/67/45/505326745.db2.gz FMYDMSFHHCFYHD-UHFFFAOYSA-N -1 1 367.365 3.339 20 5 FGBDMM O=c1[n-]nc(C2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)o1 ZINC000555902181 505537213 /nfs/dbraw/zinc/53/72/13/505537213.db2.gz PPMMJTSAMZZXFC-UHFFFAOYSA-N -1 1 358.276 3.086 20 5 FGBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OCc1ccncc1 ZINC000604097467 506712639 /nfs/dbraw/zinc/71/26/39/506712639.db2.gz NUTXHYLECPKIET-UHFFFAOYSA-N -1 1 368.349 3.158 20 5 FGBDMM CN(C)C(=O)COc1ccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cc1 ZINC000590124371 506743891 /nfs/dbraw/zinc/74/38/91/506743891.db2.gz LIZOLYVQQGOHSL-UHFFFAOYSA-N -1 1 373.412 3.210 20 5 FGBDMM CCc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[n-]c(=O)c1C ZINC000583392666 506755538 /nfs/dbraw/zinc/75/55/38/506755538.db2.gz MSMIFROMVCADSM-UHFFFAOYSA-N -1 1 362.411 3.000 20 5 FGBDMM CCc1ccc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000600836691 507143706 /nfs/dbraw/zinc/14/37/06/507143706.db2.gz CDBLJSBNHZUHFD-UHFFFAOYSA-N -1 1 355.394 3.278 20 5 FGBDMM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610265366 507166578 /nfs/dbraw/zinc/16/65/78/507166578.db2.gz FRSAVNKJVPVTFQ-ZBFHGGJFSA-N -1 1 366.826 3.257 20 5 FGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000598711925 507564209 /nfs/dbraw/zinc/56/42/09/507564209.db2.gz HOVQLQNHJPSZIJ-UHFFFAOYSA-N -1 1 352.416 3.033 20 5 FGBDMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]nc1C(C)C ZINC000592385104 507631534 /nfs/dbraw/zinc/63/15/34/507631534.db2.gz RESZCROMHQIZLL-UHFFFAOYSA-N -1 1 358.807 3.204 20 5 FGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1N1CCC[C@H]2C[C@H]21 ZINC000588065989 507750935 /nfs/dbraw/zinc/75/09/35/507750935.db2.gz GQJWDPXWWRYGNJ-SUMWQHHRSA-N -1 1 373.434 3.384 20 5 FGBDMM O=[N+]([O-])c1c(NC2CCCC2)cc(NC2CCCC2)cc1-c1nnn[n-]1 ZINC000738360453 599362721 /nfs/dbraw/zinc/36/27/21/599362721.db2.gz WYWGLLOQRTWOMO-UHFFFAOYSA-N -1 1 357.418 3.484 20 5 FGBDMM O=[N+]([O-])c1c(NC2CCCC2)cc(NC2CCCC2)cc1-c1nn[n-]n1 ZINC000738360453 599362724 /nfs/dbraw/zinc/36/27/24/599362724.db2.gz WYWGLLOQRTWOMO-UHFFFAOYSA-N -1 1 357.418 3.484 20 5 FGBDMM COc1cccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)c1 ZINC000821863501 607494840 /nfs/dbraw/zinc/49/48/40/607494840.db2.gz MBBPNUSDQZCOHF-INIZCTEOSA-N -1 1 366.381 3.125 20 5 FGBDMM COc1ccc([C@@H]2CCCN2c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1 ZINC000821786150 606644995 /nfs/dbraw/zinc/64/49/95/606644995.db2.gz AQXONZVULXBROO-INIZCTEOSA-N -1 1 366.381 3.125 20 5 FGBDMM