smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncc(C)o2)c1 ZINC000338440356 521282267 /nfs/dbraw/zinc/28/22/67/521282267.db2.gz UDZBNJPAABDJAT-UHFFFAOYSA-N -1 3 291.263 2.542 20 5 CFBDHM Cc1ccc(CN2CC[C@@H](C(=O)[O-])C[C@H]2C)cc1[N+](=O)[O-] ZINC000903939695 621481740 /nfs/dbraw/zinc/48/17/40/621481740.db2.gz XXYDACIJPBWMTK-DGCLKSJQSA-N -1 3 292.335 2.588 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000820278392 622640817 /nfs/dbraw/zinc/64/08/17/622640817.db2.gz BGIXFNPXUFDGDH-JTQLQIEISA-N -1 3 298.314 2.760 20 5 CFBDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cncs1 ZINC000765620826 627151258 /nfs/dbraw/zinc/15/12/58/627151258.db2.gz RYITYUKXTUYSQT-QMMMGPOBSA-N -1 3 279.321 2.608 20 5 CFBDHM C[C@]1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@]1(F)Cl ZINC000853711857 635082751 /nfs/dbraw/zinc/08/27/51/635082751.db2.gz ILYPZESCMCAPOR-WDEREUQCSA-N -1 3 289.694 2.812 20 5 CFBDHM CC(C)Oc1cc(C(=O)[N-]c2cnoc2)ccc1[N+](=O)[O-] ZINC001125693873 775180803 /nfs/dbraw/zinc/18/08/03/775180803.db2.gz QEEBEZDJJTVZDF-UHFFFAOYSA-N -1 3 291.263 2.622 20 5 CFBDHM Cc1cc2[n-]c(O[C@@H]3CCOC[C@@H]3C)nc2cc1[N+](=O)[O-] ZINC001228675974 776563777 /nfs/dbraw/zinc/56/37/77/776563777.db2.gz BTWHZTRKIFDMQD-TVQRCGJNSA-N -1 3 291.307 2.583 20 5 CFBDHM COc1ccc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)o1 ZINC001270145369 777319536 /nfs/dbraw/zinc/31/95/36/777319536.db2.gz VWQVSBIMRKNWPT-UHFFFAOYSA-N -1 3 294.238 2.896 20 5 CFBDHM CCOC[C@@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233496807 777968955 /nfs/dbraw/zinc/96/89/55/777968955.db2.gz APRYQXLFGOTYDT-SSDOTTSWSA-N -1 3 299.714 2.928 20 5 CFBDHM C[C@@H]1c2ccsc2CCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596064603 349785443 /nfs/dbraw/zinc/78/54/43/349785443.db2.gz XWEQJKYLSYWSQI-MRVPVSSYSA-N -1 3 291.332 2.881 20 5 CFBDHM O=c1[n-]ccc(N2CC3(CC3)c3ccccc32)c1[N+](=O)[O-] ZINC000596134477 349803864 /nfs/dbraw/zinc/80/38/64/349803864.db2.gz JQZGPAXFNUJFMB-UHFFFAOYSA-N -1 3 283.287 2.879 20 5 CFBDHM O=c1[n-]ccc(N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1[N+](=O)[O-] ZINC000596169216 349816083 /nfs/dbraw/zinc/81/60/83/349816083.db2.gz CWTOHXUEUOHQCN-IACUBPJLSA-N -1 3 297.314 2.836 20 5 CFBDHM O=c1[n-]ccc(N[C@@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC000596176884 349817368 /nfs/dbraw/zinc/81/73/68/349817368.db2.gz GWYMFSXRKRGZNS-GFCCVEGCSA-N -1 3 286.291 2.654 20 5 CFBDHM O=c1[n-]ccc(N[C@H](c2cccnc2)C2CC2)c1[N+](=O)[O-] ZINC000596176885 349817956 /nfs/dbraw/zinc/81/79/56/349817956.db2.gz GWYMFSXRKRGZNS-LBPRGKRZSA-N -1 3 286.291 2.654 20 5 CFBDHM C[C@@H]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000596198931 349824927 /nfs/dbraw/zinc/82/49/27/349824927.db2.gz OLOVHLRTSZIVAM-KXUCPTDWSA-N -1 3 265.313 2.932 20 5 CFBDHM Cc1ccsc1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596183612 349820026 /nfs/dbraw/zinc/82/00/26/349820026.db2.gz HCSNJILUZJDNJF-UHFFFAOYSA-N -1 3 279.321 2.720 20 5 CFBDHM COC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC(C)CC1 ZINC000596222848 349832335 /nfs/dbraw/zinc/83/23/35/349832335.db2.gz JORIILMPMIZGTP-UHFFFAOYSA-N -1 3 295.339 2.703 20 5 CFBDHM C[C@@H]1CCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596221045 349831231 /nfs/dbraw/zinc/83/12/31/349831231.db2.gz UCAOSIZAEKKVFH-BDAKNGLRSA-N -1 3 251.286 2.544 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000596255524 349842724 /nfs/dbraw/zinc/84/27/24/349842724.db2.gz SQZRQMDLJPZSPU-ZETCQYMHSA-N -1 3 273.239 2.543 20 5 CFBDHM Cc1ccc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC000596261149 349845636 /nfs/dbraw/zinc/84/56/36/349845636.db2.gz TYMZQTLXOVCXPE-UHFFFAOYSA-N -1 3 287.319 2.949 20 5 CFBDHM O=[N+]([O-])c1cccc(COc2ccc3c([O-])coc3c2)c1 ZINC000057523974 346630782 /nfs/dbraw/zinc/63/07/82/346630782.db2.gz ORKGYEVISXOKOZ-UHFFFAOYSA-N -1 3 285.255 2.749 20 5 CFBDHM CC[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000091929142 347603818 /nfs/dbraw/zinc/60/38/18/347603818.db2.gz IKGZAGFAKOOQLK-SNVBAGLBSA-N -1 3 250.298 2.532 20 5 CFBDHM Cc1cc([N+](=O)[O-])cnc1[N-]c1ccn(CC(F)F)n1 ZINC000092665748 347638243 /nfs/dbraw/zinc/63/82/43/347638243.db2.gz NSARIPTZFSTQGG-UHFFFAOYSA-N -1 3 283.238 2.503 20 5 CFBDHM C[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593735587 349316877 /nfs/dbraw/zinc/31/68/77/349316877.db2.gz QTKDOIYFUZTKID-LLVKDONJSA-N -1 3 292.335 2.915 20 5 CFBDHM CCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC1CC1 ZINC000593736443 349316914 /nfs/dbraw/zinc/31/69/14/349316914.db2.gz ABEFMRJPHZQENL-UHFFFAOYSA-N -1 3 278.308 2.525 20 5 CFBDHM C[C@H](N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1(C)CC1 ZINC000593743904 349319123 /nfs/dbraw/zinc/31/91/23/349319123.db2.gz NKNIDTOEPXACJZ-JTQLQIEISA-N -1 3 292.335 2.913 20 5 CFBDHM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594040525 349359876 /nfs/dbraw/zinc/35/98/76/349359876.db2.gz GNBZMXBXPRPJLQ-UKRRQHHQSA-N -1 3 294.351 2.738 20 5 CFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC([O-])=NOC(C)C ZINC000297230331 200121447 /nfs/dbraw/zinc/12/14/47/200121447.db2.gz QFRYMARAUJCIPQ-UHFFFAOYSA-N -1 3 267.285 2.673 20 5 CFBDHM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[N-]OC(C)C ZINC000297230331 200121449 /nfs/dbraw/zinc/12/14/49/200121449.db2.gz QFRYMARAUJCIPQ-UHFFFAOYSA-N -1 3 267.285 2.673 20 5 CFBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc1C ZINC000024042418 372269475 /nfs/dbraw/zinc/26/94/75/372269475.db2.gz OKWVKTONMOLSGR-UHFFFAOYSA-N -1 3 283.334 2.982 20 5 CFBDHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964271 373338392 /nfs/dbraw/zinc/33/83/92/373338392.db2.gz LDWJUOADAYILAA-NSHDSACASA-N -1 3 286.715 2.543 20 5 CFBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]OC1CCCCC1 ZINC000492753498 246375500 /nfs/dbraw/zinc/37/55/00/246375500.db2.gz REVUFZQVLYTYMV-FLIBITNWSA-N -1 3 290.319 2.989 20 5 CFBDHM CC[C@H]1[C@@H](C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330448861 378559561 /nfs/dbraw/zinc/55/95/61/378559561.db2.gz HHICJFKGFDRJTH-GWCFXTLKSA-N -1 3 264.325 2.921 20 5 CFBDHM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc([O-])c1 ZINC000181943686 380942951 /nfs/dbraw/zinc/94/29/51/380942951.db2.gz VOODYIXJGLMNQI-UHFFFAOYSA-N -1 3 286.287 2.573 20 5 CFBDHM CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc([O-])c(F)c1 ZINC000192613912 382710613 /nfs/dbraw/zinc/71/06/13/382710613.db2.gz OACKXUSAVFWTIV-UHFFFAOYSA-N -1 3 294.286 2.576 20 5 CFBDHM O=C([N-]OC1CCCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000224063914 382808947 /nfs/dbraw/zinc/80/89/47/382808947.db2.gz GJZBPWNUFZQNGY-UHFFFAOYSA-N -1 3 284.699 2.852 20 5 CFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000579591876 383032126 /nfs/dbraw/zinc/03/21/26/383032126.db2.gz RNJYDFASOSVMQL-SUNKGSAMSA-N -1 3 292.335 2.698 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000339099673 383148825 /nfs/dbraw/zinc/14/88/25/383148825.db2.gz NZXZNXDTKLWMIE-GWCFXTLKSA-N -1 3 262.309 2.675 20 5 CFBDHM CCC[C@H](CC)S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000568832686 383440594 /nfs/dbraw/zinc/44/05/94/383440594.db2.gz GRQYIAFMUFYDEG-LBPRGKRZSA-N -1 3 286.353 2.915 20 5 CFBDHM CC(C)(C)c1ccc([N-]S(=O)(=O)C2CC2)cc1[N+](=O)[O-] ZINC000340728364 383493549 /nfs/dbraw/zinc/49/35/49/383493549.db2.gz XOVIAXRLSRCUAI-UHFFFAOYSA-N -1 3 298.364 2.796 20 5 CFBDHM Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263346003 393961272 /nfs/dbraw/zinc/96/12/72/393961272.db2.gz OQGQOMSETLTTJR-AAEUAGOBSA-N -1 3 292.335 2.588 20 5 CFBDHM COc1c(F)cc(F)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000350903002 163113302 /nfs/dbraw/zinc/11/33/02/163113302.db2.gz XFNLRHZTEFGAHC-UHFFFAOYSA-N -1 3 298.201 2.727 20 5 CFBDHM O=c1[n-]c(-c2ccc([N+](=O)[O-])s2)nc2ccc(F)cc12 ZINC000531836279 270844543 /nfs/dbraw/zinc/84/45/43/270844543.db2.gz WXJHLPWWACZWBW-UHFFFAOYSA-N -1 3 291.263 2.699 20 5 CFBDHM O=C([N-]c1cc(F)c(F)cc1F)c1ccc([N+](=O)[O-])cn1 ZINC000532139013 270853914 /nfs/dbraw/zinc/85/39/14/270853914.db2.gz OSAYECZHAQUYLB-UHFFFAOYSA-N -1 3 297.192 2.659 20 5 CFBDHM Cc1ccc([O-])c(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000122066668 280625507 /nfs/dbraw/zinc/62/55/07/280625507.db2.gz MPNKPCJXHQEHOP-UHFFFAOYSA-N -1 3 298.298 2.812 20 5 CFBDHM CC(=O)c1cnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000135437750 280773193 /nfs/dbraw/zinc/77/31/93/280773193.db2.gz NXFCWFRJYRFNJR-UHFFFAOYSA-N -1 3 297.317 2.568 20 5 CFBDHM Cc1sc(C(=O)Nc2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000158406656 289975333 /nfs/dbraw/zinc/97/53/33/289975333.db2.gz CFINIAXAHAXAAZ-UHFFFAOYSA-N -1 3 278.289 2.923 20 5 CFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCCCC1 ZINC000048659734 302047502 /nfs/dbraw/zinc/04/75/02/302047502.db2.gz KWWXCDXKDPEOMX-UHFFFAOYSA-N -1 3 298.364 2.514 20 5 CFBDHM Cc1ccc([C@H](C)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000570364993 322528413 /nfs/dbraw/zinc/52/84/13/322528413.db2.gz ARKPPZLUZDFNIV-NSHDSACASA-N -1 3 287.319 2.855 20 5 CFBDHM COCc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000340804836 523152052 /nfs/dbraw/zinc/15/20/52/523152052.db2.gz IKNNABTXTSKERF-UHFFFAOYSA-N -1 3 299.333 2.512 20 5 CFBDHM Cc1ncc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)s1 ZINC000745372412 574111061 /nfs/dbraw/zinc/11/10/61/574111061.db2.gz OYCUUPPTIZUISK-UHFFFAOYSA-N -1 3 281.268 2.751 20 5 CFBDHM C[C@H](OC(=O)c1cncc([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000732394305 574154129 /nfs/dbraw/zinc/15/41/29/574154129.db2.gz KLYVVHZMYDWNDB-VIFPVBQESA-N -1 3 288.259 2.613 20 5 CFBDHM Cc1[n-]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1C(C)C ZINC000108459828 619360852 /nfs/dbraw/zinc/36/08/52/619360852.db2.gz URMOYBKIQOHKKF-GFCCVEGCSA-N -1 3 261.281 2.590 20 5 CFBDHM C[C@@H](OC(=O)c1cncc([O-])c1)c1ccccc1[N+](=O)[O-] ZINC000783625878 628728191 /nfs/dbraw/zinc/72/81/91/628728191.db2.gz WGNXKYSQNDHYHJ-SECBINFHSA-N -1 3 288.259 2.613 20 5 CFBDHM Cc1nnsc1C(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000813246689 631891219 /nfs/dbraw/zinc/89/12/19/631891219.db2.gz NZSLLTTZVODXGK-UHFFFAOYSA-N -1 3 298.711 2.660 20 5 CFBDHM O=C([O-])C1=CC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000853039825 634886514 /nfs/dbraw/zinc/88/65/14/634886514.db2.gz RDSZDUGHBYASFI-SNVBAGLBSA-N -1 3 296.710 2.511 20 5 CFBDHM O=C(OCCC[N+](=O)[O-])c1cc2cc(Cl)sc2[n-]1 ZINC000860918852 637016903 /nfs/dbraw/zinc/01/69/03/637016903.db2.gz QCIBHAZRSFIMOY-UHFFFAOYSA-N -1 3 288.712 2.706 20 5 CFBDHM Cc1conc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000123512671 641219060 /nfs/dbraw/zinc/21/90/60/641219060.db2.gz FSNGDMFYJCZJRP-UHFFFAOYSA-N -1 3 281.655 2.797 20 5 CFBDHM COc1ccc([N+](=O)[O-])cc1CO[N-]C(=O)CC(C)(C)C ZINC000871752633 641439922 /nfs/dbraw/zinc/43/99/22/641439922.db2.gz DIFOYFDKAPCGBM-UHFFFAOYSA-N -1 3 296.323 2.587 20 5 CFBDHM O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2[N+](=O)[O-])S1 ZINC000874927929 642554402 /nfs/dbraw/zinc/55/44/02/642554402.db2.gz MYBUWAVVYYJURV-YWEYNIOJSA-N -1 3 284.680 2.572 20 5 CFBDHM Cc1c(=O)[n-]cnc1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001226077325 775690577 /nfs/dbraw/zinc/69/05/77/775690577.db2.gz RDGHTKYGPINURQ-VIFPVBQESA-N -1 3 275.264 2.539 20 5 CFBDHM Cc1cn2c(n1)[C@H](Oc1c([O-])cccc1[N+](=O)[O-])CCC2 ZINC001226334484 775782346 /nfs/dbraw/zinc/78/23/46/775782346.db2.gz VRNNBUQNKRKWRB-GFCCVEGCSA-N -1 3 289.291 2.719 20 5 CFBDHM CCc1nc(O[C@H](C)c2ccccc2[N+](=O)[O-])cc(=O)[n-]1 ZINC001226475942 775839007 /nfs/dbraw/zinc/83/90/07/775839007.db2.gz OVIKSHGHYIUHRS-SECBINFHSA-N -1 3 289.291 2.793 20 5 CFBDHM C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C1CCOCC1 ZINC001227742363 776275772 /nfs/dbraw/zinc/27/57/72/776275772.db2.gz YGSWJJSUEVOKCL-VIFPVBQESA-N -1 3 291.307 2.665 20 5 CFBDHM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C1CCOCC1 ZINC001227742363 776275781 /nfs/dbraw/zinc/27/57/81/776275781.db2.gz YGSWJJSUEVOKCL-VIFPVBQESA-N -1 3 291.307 2.665 20 5 CFBDHM Cc1cc2[n-]c(OC[C@@H]3CCC=CO3)nc2cc1[N+](=O)[O-] ZINC001228674626 776562336 /nfs/dbraw/zinc/56/23/36/776562336.db2.gz KGRDXJQYPJXWCI-JTQLQIEISA-N -1 3 289.291 2.851 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@H]3CC[C@@H]2C3)c1[N+](=O)[O-] ZINC001228685579 776567438 /nfs/dbraw/zinc/56/74/38/776567438.db2.gz IIRSCFCVTDBHRQ-IVZWLZJFSA-N -1 3 264.281 2.571 20 5 CFBDHM CC[C@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(C)C ZINC001228687759 776567648 /nfs/dbraw/zinc/56/76/48/776567648.db2.gz AWHCAMIPAZLEDD-VIFPVBQESA-N -1 3 254.286 2.817 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H]2CC[C@@H](C)CC2)c1[N+](=O)[O-] ZINC001228688600 776569455 /nfs/dbraw/zinc/56/94/55/776569455.db2.gz KGMTUFJKKMOESU-WAAGHKOSSA-N -1 3 266.297 2.961 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC001228687609 776569497 /nfs/dbraw/zinc/56/94/97/776569497.db2.gz ZALGVBOFYHZKMJ-CBAPKCEASA-N -1 3 252.270 2.571 20 5 CFBDHM O=[N+]([O-])C[C@H](Oc1c(Cl)ccc([O-])c1F)C1CC1 ZINC001234262828 778195181 /nfs/dbraw/zinc/19/51/81/778195181.db2.gz ISZBCNPZUABYPO-VIFPVBQESA-N -1 3 275.663 2.619 20 5 CFBDHM O=[N+]([O-])C[C@H](Oc1c([O-])cc(Cl)cc1F)C1CC1 ZINC001234447530 778228785 /nfs/dbraw/zinc/22/87/85/778228785.db2.gz LDHHZCHHRQTZBQ-JTQLQIEISA-N -1 3 275.663 2.619 20 5 CFBDHM CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000595881270 349760637 /nfs/dbraw/zinc/76/06/37/349760637.db2.gz BYHFYJWLHTUXOT-MRVPVSSYSA-N -1 3 286.715 2.543 20 5 CFBDHM CS[C@@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596132293 349803156 /nfs/dbraw/zinc/80/31/56/349803156.db2.gz WUSKXXQLEGRMDP-DTWKUNHWSA-N -1 3 283.353 2.782 20 5 CFBDHM CC[C@@H](C)C[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596138970 349805803 /nfs/dbraw/zinc/80/58/03/349805803.db2.gz PTASEGDFUUSFHW-BDAKNGLRSA-N -1 3 253.302 2.932 20 5 CFBDHM CC(C)[C@H]1OCCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596152952 349810389 /nfs/dbraw/zinc/81/03/89/349810389.db2.gz UYXWSIHXHAZDGG-GXFFZTMASA-N -1 3 295.339 2.559 20 5 CFBDHM O=c1[n-]ccc(N[C@@H]2CCOC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000596166339 349815184 /nfs/dbraw/zinc/81/51/84/349815184.db2.gz UMRXGUSOSXLCFH-SNVBAGLBSA-N -1 3 293.323 2.599 20 5 CFBDHM CC1(C)CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596179809 349818703 /nfs/dbraw/zinc/81/87/03/349818703.db2.gz UDHXBPQQCYXVDS-MRVPVSSYSA-N -1 3 251.286 2.686 20 5 CFBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC000596191540 349822652 /nfs/dbraw/zinc/82/26/52/349822652.db2.gz WTMYYEJUQBMSGC-SECBINFHSA-N -1 3 265.313 2.568 20 5 CFBDHM CC(C)(C)[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596193277 349822921 /nfs/dbraw/zinc/82/29/21/349822921.db2.gz MIYYHSQKHCGJSQ-SECBINFHSA-N -1 3 265.313 2.568 20 5 CFBDHM Cc1ccc([C@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc1 ZINC000596193748 349822958 /nfs/dbraw/zinc/82/29/58/349822958.db2.gz NJKOYWQPYPRGER-ZDUSSCGKSA-N -1 3 299.330 2.998 20 5 CFBDHM C[C@H](C1CC1)n1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596201518 349825781 /nfs/dbraw/zinc/82/57/81/349825781.db2.gz ZOKJNGGSPZAMQI-MRVPVSSYSA-N -1 3 289.295 2.607 20 5 CFBDHM CC(C)C[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596182334 349819206 /nfs/dbraw/zinc/81/92/06/349819206.db2.gz AYEWZTQTMJAKPV-QWRGUYRKSA-N -1 3 295.339 2.701 20 5 CFBDHM C[C@H]1CCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596221047 349830809 /nfs/dbraw/zinc/83/08/09/349830809.db2.gz UCAOSIZAEKKVFH-IUCAKERBSA-N -1 3 251.286 2.544 20 5 CFBDHM CC(C)(C)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596219847 349831218 /nfs/dbraw/zinc/83/12/18/349831218.db2.gz XKXPWUURFKVPDH-SNVBAGLBSA-N -1 3 279.340 2.958 20 5 CFBDHM CC(C)[C@@]1(C)C[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596269949 349848948 /nfs/dbraw/zinc/84/89/48/349848948.db2.gz IGVRRGIVDQKJGM-JOYOIKCWSA-N -1 3 251.286 2.542 20 5 CFBDHM O=c1[n-]ccc(NCC2CCC(F)CC2)c1[N+](=O)[O-] ZINC000596291890 349854812 /nfs/dbraw/zinc/85/48/12/349854812.db2.gz LVORGMRACNUJPL-UHFFFAOYSA-N -1 3 269.276 2.636 20 5 CFBDHM Cc1cc(NCc2ccc([O-])c(F)c2)ncc1[N+](=O)[O-] ZINC000080607561 347369672 /nfs/dbraw/zinc/36/96/72/347369672.db2.gz PHKIQQHZJFVPAQ-UHFFFAOYSA-N -1 3 277.255 2.755 20 5 CFBDHM C[C@@H]1CC[C@@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000091937320 347604025 /nfs/dbraw/zinc/60/40/25/347604025.db2.gz GGTWVQCCUVSZCH-NXEZZACHSA-N -1 3 250.298 2.673 20 5 CFBDHM COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000135426150 347906543 /nfs/dbraw/zinc/90/65/43/347906543.db2.gz NWTRQRLKMYZJSX-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000135419051 347906692 /nfs/dbraw/zinc/90/66/92/347906692.db2.gz CECPLRISJIMRIJ-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421608 348182754 /nfs/dbraw/zinc/18/27/54/348182754.db2.gz SQMLTGWGOFAYLE-RYUDHWBXSA-N -1 3 292.335 2.843 20 5 CFBDHM CC[C@H](C)CN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593736328 349317088 /nfs/dbraw/zinc/31/70/88/349317088.db2.gz CNGNMOQDUJAMGK-JTQLQIEISA-N -1 3 280.324 2.771 20 5 CFBDHM CC[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593744784 349318880 /nfs/dbraw/zinc/31/88/80/349318880.db2.gz WXXCZRXIIPXEOV-JTQLQIEISA-N -1 3 278.308 2.525 20 5 CFBDHM Cc1cnc([N-]c2cnn(C(C)C)c2)c([N+](=O)[O-])c1 ZINC000090692323 180025352 /nfs/dbraw/zinc/02/53/52/180025352.db2.gz WISWORFLCROPEJ-UHFFFAOYSA-N -1 3 261.285 2.819 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000599114892 350377341 /nfs/dbraw/zinc/37/73/41/350377341.db2.gz HZSVWZGJWMHDNH-BBBLOLIVSA-N -1 3 263.297 2.544 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1C1CC1 ZINC000611268529 351661516 /nfs/dbraw/zinc/66/15/16/351661516.db2.gz DSALKMJUDREARE-CYBMUJFWSA-N -1 3 262.309 2.675 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](c2ccco2)C1 ZINC000611271352 351661140 /nfs/dbraw/zinc/66/11/40/351661140.db2.gz VCKRMGVODRDHBS-LLVKDONJSA-N -1 3 288.303 2.883 20 5 CFBDHM O=C([O-])CC[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000050924579 373384373 /nfs/dbraw/zinc/38/43/73/373384373.db2.gz AHYPEHOSCUXZMT-ZDUSSCGKSA-N -1 3 292.335 2.814 20 5 CFBDHM O=C(Nc1ccccc1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000054148415 373500407 /nfs/dbraw/zinc/50/04/07/373500407.db2.gz UBNUCIQYYGWYHK-UHFFFAOYSA-N -1 3 276.223 2.692 20 5 CFBDHM Cc1c(CN2CCC[C@@H](CC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000054298628 373513717 /nfs/dbraw/zinc/51/37/17/373513717.db2.gz DZIXRECXGOEQCU-LBPRGKRZSA-N -1 3 292.335 2.590 20 5 CFBDHM CCC[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000093633490 375276994 /nfs/dbraw/zinc/27/69/94/375276994.db2.gz XEDDFVMPMUNOAV-JTQLQIEISA-N -1 3 286.715 2.591 20 5 CFBDHM Cc1ccnc([N-]c2cnn(CC(F)F)c2)c1[N+](=O)[O-] ZINC000265363502 190177093 /nfs/dbraw/zinc/17/70/93/190177093.db2.gz YEGNTSFCRSVTGJ-UHFFFAOYSA-N -1 3 283.238 2.503 20 5 CFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]OC2CCCC2)c1 ZINC000135134234 378088146 /nfs/dbraw/zinc/08/81/46/378088146.db2.gz RIVIOKXHKUJIOI-UHFFFAOYSA-N -1 3 296.348 2.921 20 5 CFBDHM C[C@H]1CCCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000332240579 378740048 /nfs/dbraw/zinc/74/00/48/378740048.db2.gz URFDALISEHCPNP-NSHDSACASA-N -1 3 264.325 2.922 20 5 CFBDHM Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1[O-] ZINC000354457647 381282965 /nfs/dbraw/zinc/28/29/65/381282965.db2.gz ZNYZLTQJKLIYJQ-UHFFFAOYSA-N -1 3 298.298 2.812 20 5 CFBDHM O=c1cc(COc2ccccc2[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC000412974789 381512319 /nfs/dbraw/zinc/51/23/19/381512319.db2.gz DCZYGUVCAZOOHT-UHFFFAOYSA-N -1 3 287.275 2.547 20 5 CFBDHM O=C([N-]c1scnc1C1CC1)c1ccc([N+](=O)[O-])o1 ZINC000342870306 381597564 /nfs/dbraw/zinc/59/75/64/381597564.db2.gz DFKTWPZBOXDWGP-UHFFFAOYSA-N -1 3 279.277 2.774 20 5 CFBDHM Cc1cnc([N-]c2cn(C)nc2C2CC2)c([N+](=O)[O-])c1 ZINC000359955579 381697945 /nfs/dbraw/zinc/69/79/45/381697945.db2.gz UXOMBOFGILWVIG-UHFFFAOYSA-N -1 3 273.296 2.653 20 5 CFBDHM Cc1n[nH]cc1[N-]c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352356996 382287469 /nfs/dbraw/zinc/28/74/69/382287469.db2.gz PFGXKQSQQBJGGM-UHFFFAOYSA-N -1 3 269.264 2.918 20 5 CFBDHM COc1cc([O-])cc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000352442337 382335243 /nfs/dbraw/zinc/33/52/43/382335243.db2.gz OLZFWIUXERIZNV-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM O=C(Nc1ccsc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189502717 382617262 /nfs/dbraw/zinc/61/72/62/382617262.db2.gz FIXAMCBPKFYABY-UHFFFAOYSA-N -1 3 299.695 2.663 20 5 CFBDHM C[C@@H](C1CC1)n1cc([N-]c2ncc([N+](=O)[O-])s2)cn1 ZINC000192539229 382709967 /nfs/dbraw/zinc/70/99/67/382709967.db2.gz GJTWZRKLAFMERZ-ZETCQYMHSA-N -1 3 279.325 2.962 20 5 CFBDHM CC[C@]1(C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339016521 383122382 /nfs/dbraw/zinc/12/23/82/383122382.db2.gz BRNBYVRAKSEZDD-CQSZACIVSA-N -1 3 264.325 2.922 20 5 CFBDHM CC[C@@H](C)[C@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339083976 383144035 /nfs/dbraw/zinc/14/40/35/383144035.db2.gz OOKHTZCYMHMVSA-ZJUUUORDSA-N -1 3 252.314 2.825 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](CC2CC2)C1 ZINC000339679845 383286467 /nfs/dbraw/zinc/28/64/67/383286467.db2.gz NEZWUCOQQCCOPL-LBPRGKRZSA-N -1 3 276.336 2.922 20 5 CFBDHM O=C(Nc1cc(F)ccc1[O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000340329709 383413142 /nfs/dbraw/zinc/41/31/42/383413142.db2.gz KQBCNRFKRZRGFE-UHFFFAOYSA-N -1 3 294.213 2.831 20 5 CFBDHM Cc1cc(Cl)cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1[O-] ZINC000340326643 383413273 /nfs/dbraw/zinc/41/32/73/383413273.db2.gz BVWCDGIUPZWTKB-UHFFFAOYSA-N -1 3 295.682 2.843 20 5 CFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263137429 383655390 /nfs/dbraw/zinc/65/53/90/383655390.db2.gz DHWDHZGAKHXHQC-WOPDTQHZSA-N -1 3 292.335 2.698 20 5 CFBDHM CC(C)CN(CCC(=O)[O-])Cc1csc([N+](=O)[O-])c1 ZINC000573617054 383963144 /nfs/dbraw/zinc/96/31/44/383963144.db2.gz PHUKGLWQNSYGPQ-UHFFFAOYSA-N -1 3 286.353 2.589 20 5 CFBDHM Cc1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1F ZINC000181779296 393501242 /nfs/dbraw/zinc/50/12/42/393501242.db2.gz BFLCKMMFUHNYLD-UHFFFAOYSA-N -1 3 264.212 2.888 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cncc([O-])c1 ZINC000181772408 393501434 /nfs/dbraw/zinc/50/14/34/393501434.db2.gz YIIYMIHMPSOOCU-HWKANZROSA-N -1 3 299.286 2.656 20 5 CFBDHM Cc1ccc(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000424416693 393845005 /nfs/dbraw/zinc/84/50/05/393845005.db2.gz KXALCXUAKSAUHK-RISCZKNCSA-N -1 3 292.335 2.588 20 5 CFBDHM Cc1cc(=O)[n-]c(C=Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000352035121 163218334 /nfs/dbraw/zinc/21/83/34/163218334.db2.gz MIIFHNIXIDESOD-XQRVVYSFSA-N -1 3 271.276 2.878 20 5 CFBDHM Cc1c(CN2CC[C@H](C)C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000229298134 270258342 /nfs/dbraw/zinc/25/83/42/270258342.db2.gz GNNJGRRKVOMYTK-HZMBPMFUSA-N -1 3 292.335 2.588 20 5 CFBDHM CSc1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000345476586 278176292 /nfs/dbraw/zinc/17/62/92/278176292.db2.gz CFXHCIRPUVOFLE-UHFFFAOYSA-N -1 3 279.277 2.557 20 5 CFBDHM C[C@H]1CC[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339123465 278378156 /nfs/dbraw/zinc/37/81/56/278378156.db2.gz FYGHUAIBWMCBQO-CMPLNLGQSA-N -1 3 264.325 2.921 20 5 CFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566219970 290359066 /nfs/dbraw/zinc/35/90/66/290359066.db2.gz IGVCPNATLHOTSJ-NTZNESFSSA-N -1 3 292.335 2.698 20 5 CFBDHM O=C([N-]c1cc(F)cc(F)c1F)c1ccc([N+](=O)[O-])cn1 ZINC000573587703 322661981 /nfs/dbraw/zinc/66/19/81/322661981.db2.gz JNGMYYQTQKPYQE-UHFFFAOYSA-N -1 3 297.192 2.659 20 5 CFBDHM O=C(Nc1cc(F)ccc1[O-])c1ccc([N+](=O)[O-])s1 ZINC000178330331 323716032 /nfs/dbraw/zinc/71/60/32/323716032.db2.gz SXOZCHALDYWMPI-UHFFFAOYSA-N -1 3 282.252 2.753 20 5 CFBDHM COc1ccc([N-]C(=O)c2csnc2C)c([N+](=O)[O-])c1 ZINC000182969327 323891974 /nfs/dbraw/zinc/89/19/74/323891974.db2.gz UIZUYWFIRVKPRN-UHFFFAOYSA-N -1 3 293.304 2.621 20 5 CFBDHM O=C(Nc1cccc([O-])c1)c1ccc([N+](=O)[O-])s1 ZINC000193112124 534360290 /nfs/dbraw/zinc/36/02/90/534360290.db2.gz AGKQDIDOHDNMFF-UHFFFAOYSA-N -1 3 264.262 2.614 20 5 CFBDHM CC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccc1F ZINC000355994881 534820910 /nfs/dbraw/zinc/82/09/10/534820910.db2.gz QBSBCWPTCCXFCR-UHFFFAOYSA-N -1 3 292.222 2.782 20 5 CFBDHM CC(C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824229873 607731232 /nfs/dbraw/zinc/73/12/32/607731232.db2.gz WQDUDUXHOJZFAQ-VIFPVBQESA-N -1 3 290.327 2.621 20 5 CFBDHM CC(C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824229873 607731234 /nfs/dbraw/zinc/73/12/34/607731234.db2.gz WQDUDUXHOJZFAQ-VIFPVBQESA-N -1 3 290.327 2.621 20 5 CFBDHM Cc1cccc(C)c1CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000896918281 619886456 /nfs/dbraw/zinc/88/64/56/619886456.db2.gz NZOULLZNYSGUNA-UHFFFAOYSA-N -1 3 287.319 2.949 20 5 CFBDHM Cc1[n-]n(-c2cc([N+](=O)[O-])ccc2C)c(=O)c1C(C)C ZINC000899349626 620549826 /nfs/dbraw/zinc/54/98/26/620549826.db2.gz HSMOTDGYUGQHST-ZDUSSCGKSA-N -1 3 275.308 2.898 20 5 CFBDHM Cc1cc(=O)[n-]c(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000763218250 626971020 /nfs/dbraw/zinc/97/10/20/626971020.db2.gz UUVHSRUHRJOWSG-UHFFFAOYSA-N -1 3 277.305 2.691 20 5 CFBDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cncs1 ZINC000765620825 627151150 /nfs/dbraw/zinc/15/11/50/627151150.db2.gz RYITYUKXTUYSQT-MRVPVSSYSA-N -1 3 279.321 2.608 20 5 CFBDHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1ccon1 ZINC000772517964 627718445 /nfs/dbraw/zinc/71/84/45/627718445.db2.gz LSDRCOHIWCTCCU-UHFFFAOYSA-N -1 3 281.655 2.797 20 5 CFBDHM O=C([N-]Cc1ccco1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777875582 628260016 /nfs/dbraw/zinc/26/00/16/628260016.db2.gz RPPJEXAVBFNOOF-UHFFFAOYSA-N -1 3 296.229 2.596 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000794865957 629697327 /nfs/dbraw/zinc/69/73/27/629697327.db2.gz RULOYEKVHIOAHC-JTQLQIEISA-N -1 3 280.324 2.540 20 5 CFBDHM O=C([N-]c1ccc(F)c([N+](=O)[O-])c1)c1cc(C2CC2)no1 ZINC000799296656 630293146 /nfs/dbraw/zinc/29/31/46/630293146.db2.gz INQJCSYISHYFOI-UHFFFAOYSA-N -1 3 291.238 2.852 20 5 CFBDHM C[C@H](COC(=O)c1cc2cc(Cl)sc2[n-]1)[N+](=O)[O-] ZINC000813104815 631839643 /nfs/dbraw/zinc/83/96/43/631839643.db2.gz RXZJRNAHKRXGQI-RXMQYKEDSA-N -1 3 288.712 2.705 20 5 CFBDHM C[C@H](C[N+](=O)[O-])OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000814036993 631997796 /nfs/dbraw/zinc/99/77/96/631997796.db2.gz OTYASTSANWNUHV-RXMQYKEDSA-N -1 3 288.712 2.705 20 5 CFBDHM O=C([O-])C1=CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000853039824 634886207 /nfs/dbraw/zinc/88/62/07/634886207.db2.gz RDSZDUGHBYASFI-JTQLQIEISA-N -1 3 296.710 2.511 20 5 CFBDHM O=c1[n-]ccc(N2CCCCCCCC2)c1[N+](=O)[O-] ZINC000853668821 635068475 /nfs/dbraw/zinc/06/84/75/635068475.db2.gz BFRZCPSFCNIUJN-UHFFFAOYSA-N -1 3 265.313 2.856 20 5 CFBDHM CC(C)c1nsc([N-]C(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000874698194 642459093 /nfs/dbraw/zinc/45/90/93/642459093.db2.gz WPGFRYDKTDYWKR-UHFFFAOYSA-N -1 3 292.320 2.822 20 5 CFBDHM C[C@H](Oc1ccnc(=S)[n-]1)c1ccccc1[N+](=O)[O-] ZINC001226939886 777704085 /nfs/dbraw/zinc/70/40/85/777704085.db2.gz JXRJEQPIASUMSD-QMMMGPOBSA-N -1 3 277.305 2.814 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCc2cc(F)ccc21 ZINC001225664351 775547895 /nfs/dbraw/zinc/54/78/95/775547895.db2.gz NMHHFPDCYHGCAA-GFCCVEGCSA-N -1 3 290.250 2.901 20 5 CFBDHM CC1(C)[C@@H]2C[C@@H](Oc3nccc([O-])c3[N+](=O)[O-])C[C@@H]21 ZINC001225665522 775548332 /nfs/dbraw/zinc/54/83/32/775548332.db2.gz BLHOTZNGVHXROS-PSVAKVPMSA-N -1 3 264.281 2.509 20 5 CFBDHM C[C@@H]1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])[C@H]1C ZINC001225666759 775549254 /nfs/dbraw/zinc/54/92/54/775549254.db2.gz LZVPDKBLARHZSU-WCABBAIRSA-N -1 3 266.297 2.899 20 5 CFBDHM C[C@@H]1CC[C@H](C)[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225668151 775551010 /nfs/dbraw/zinc/55/10/10/775551010.db2.gz YXTMOLXQOVOYRJ-YWVKMMECSA-N -1 3 266.297 2.899 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCc2ccccc2C1 ZINC001225668188 775551171 /nfs/dbraw/zinc/55/11/71/775551171.db2.gz ZSGZZAZRZZWBEL-LBPRGKRZSA-N -1 3 286.287 2.632 20 5 CFBDHM CCc1nc(O[C@H](C)c2cccc([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC001226476801 775840119 /nfs/dbraw/zinc/84/01/19/775840119.db2.gz SNIPCXVEBOILGC-SECBINFHSA-N -1 3 289.291 2.793 20 5 CFBDHM CC[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(C)C ZINC001227694981 776261233 /nfs/dbraw/zinc/26/12/33/776261233.db2.gz JSSGKTLUFHOFCD-VIFPVBQESA-N -1 3 264.285 2.680 20 5 CFBDHM CCCOC[C@@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746780 776278275 /nfs/dbraw/zinc/27/82/75/776278275.db2.gz ULCJKNYZTBCLDU-SECBINFHSA-N -1 3 279.296 2.665 20 5 CFBDHM CCCOC[C@@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746780 776278283 /nfs/dbraw/zinc/27/82/83/776278283.db2.gz ULCJKNYZTBCLDU-SECBINFHSA-N -1 3 279.296 2.665 20 5 CFBDHM Cc1cc2[n-]c(O[C@@H](C)c3ncccn3)nc2cc1[N+](=O)[O-] ZINC001228672453 776562527 /nfs/dbraw/zinc/56/25/27/776562527.db2.gz UTAXFLBTTHKIHA-VIFPVBQESA-N -1 3 299.290 2.710 20 5 CFBDHM CCC(=O)[C@H](CC)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228674730 776563568 /nfs/dbraw/zinc/56/35/68/776563568.db2.gz LWYSJHPIRIHEII-ZDUSSCGKSA-N -1 3 291.307 2.916 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)CC(C)C)c1[N+](=O)[O-] ZINC001228686615 776567163 /nfs/dbraw/zinc/56/71/63/776567163.db2.gz PHAAQXQDNHHCCJ-QMMMGPOBSA-N -1 3 254.286 2.817 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC001228687317 776570012 /nfs/dbraw/zinc/57/00/12/776570012.db2.gz VMHQMELKNAGQMD-SECBINFHSA-N -1 3 275.264 2.539 20 5 CFBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001225660378 777151550 /nfs/dbraw/zinc/15/15/50/777151550.db2.gz CUPPDRHIKWEMOL-MRVPVSSYSA-N -1 3 278.239 2.975 20 5 CFBDHM C[C@@H]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C[C@H]1C ZINC001225666357 777155488 /nfs/dbraw/zinc/15/54/88/777155488.db2.gz HJWGPSUCMAYUQW-BBBLOLIVSA-N -1 3 266.297 2.899 20 5 CFBDHM Cc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c2n[nH]cc21 ZINC000069046951 346881769 /nfs/dbraw/zinc/88/17/69/346881769.db2.gz OTZDGMHLSOLEFD-UHFFFAOYSA-N -1 3 286.247 2.625 20 5 CFBDHM O=c1[n-]ccc(NCC2CCCCC2)c1[N+](=O)[O-] ZINC000596051942 349781920 /nfs/dbraw/zinc/78/19/20/349781920.db2.gz TWYLQSHZNVCMHR-UHFFFAOYSA-N -1 3 251.286 2.688 20 5 CFBDHM C[C@H]1CCCC[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596054891 349782612 /nfs/dbraw/zinc/78/26/12/349782612.db2.gz JEEHAXGVEBXDEB-DTWKUNHWSA-N -1 3 251.286 2.686 20 5 CFBDHM CCc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596077033 349788369 /nfs/dbraw/zinc/78/83/69/349788369.db2.gz GMNQFHQEFAMNGZ-UHFFFAOYSA-N -1 3 279.321 2.931 20 5 CFBDHM CN(CC1CCCCC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596071775 349787136 /nfs/dbraw/zinc/78/71/36/349787136.db2.gz XOABNVZFNXKYAX-UHFFFAOYSA-N -1 3 265.313 2.712 20 5 CFBDHM O=c1[n-]ccc(N2CC[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596137350 349804856 /nfs/dbraw/zinc/80/48/56/349804856.db2.gz SCDBDZXFFHOLJJ-ZDUSSCGKSA-N -1 3 299.330 2.764 20 5 CFBDHM CCC[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596159320 349812934 /nfs/dbraw/zinc/81/29/34/349812934.db2.gz AQSMWVWLJIPVDX-JTQLQIEISA-N -1 3 265.313 2.712 20 5 CFBDHM Cc1noc(C)c1[C@@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596175034 349817379 /nfs/dbraw/zinc/81/73/79/349817379.db2.gz OSHBLJLXKNWSNZ-ZETCQYMHSA-N -1 3 292.295 2.516 20 5 CFBDHM O=c1[n-]ccc(NC2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000596178158 349818514 /nfs/dbraw/zinc/81/85/14/349818514.db2.gz IKLTWWHTDBGQKS-UHFFFAOYSA-N -1 3 273.239 2.685 20 5 CFBDHM C[C@H]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596217704 349830313 /nfs/dbraw/zinc/83/03/13/349830313.db2.gz OTJUASWVMZHRNR-IUCAKERBSA-N -1 3 251.286 2.544 20 5 CFBDHM CC[C@@H]1CCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596251381 349841445 /nfs/dbraw/zinc/84/14/45/349841445.db2.gz WMXMWALTUDQENC-ZJUUUORDSA-N -1 3 265.313 2.934 20 5 CFBDHM CC(C)(C)C(F)(F)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596542679 349936523 /nfs/dbraw/zinc/93/65/23/349936523.db2.gz NZDXGHMOSTUHDN-UHFFFAOYSA-N -1 3 275.255 2.789 20 5 CFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C)(C(=O)[O-])CC1 ZINC000086777063 347489279 /nfs/dbraw/zinc/48/92/79/347489279.db2.gz SINCOKGJLCCKEK-NSHDSACASA-N -1 3 292.335 2.843 20 5 CFBDHM Cc1ccc(CN2CCC(C)(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000592423062 349118333 /nfs/dbraw/zinc/11/83/33/349118333.db2.gz JIYUKGYCMMLJPY-UHFFFAOYSA-N -1 3 292.335 2.590 20 5 CFBDHM O=C([O-])CCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000593731849 349316118 /nfs/dbraw/zinc/31/61/18/349316118.db2.gz FDRPKCWBFXORQY-UHFFFAOYSA-N -1 3 292.335 2.814 20 5 CFBDHM CCCCN(CC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732574 349316155 /nfs/dbraw/zinc/31/61/55/349316155.db2.gz PGJVYWMEWOKNMS-UHFFFAOYSA-N -1 3 280.324 2.915 20 5 CFBDHM C[C@@H]1CCCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593745001 349318660 /nfs/dbraw/zinc/31/86/60/349318660.db2.gz XUPUGKAFFXKEBU-LLVKDONJSA-N -1 3 292.335 2.915 20 5 CFBDHM Cc1cnc([N-]c2cnn3c2CCCC3)c([N+](=O)[O-])c1 ZINC000601232156 350704687 /nfs/dbraw/zinc/70/46/87/350704687.db2.gz OBBUKIOCZFAPFQ-UHFFFAOYSA-N -1 3 273.296 2.575 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]1C1CC1 ZINC000611268530 351661226 /nfs/dbraw/zinc/66/12/26/351661226.db2.gz DSALKMJUDREARE-ZDUSSCGKSA-N -1 3 262.309 2.675 20 5 CFBDHM Cc1cc(NCCCC(=O)[O-])c2cc([N+](=O)[O-])ccc2n1 ZINC000122157453 187018183 /nfs/dbraw/zinc/01/81/83/187018183.db2.gz OKBGEVIMSIZBEG-UHFFFAOYSA-N -1 3 289.291 2.728 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000292314598 198241117 /nfs/dbraw/zinc/24/11/17/198241117.db2.gz VMSNUENMDNSLRN-QMMMGPOBSA-N -1 3 286.715 2.956 20 5 CFBDHM Cc1c(NC([O-])=NOC2CCCC2)cccc1[N+](=O)[O-] ZINC000271771715 191317117 /nfs/dbraw/zinc/31/71/17/191317117.db2.gz GAZZMWKWKGCNGP-UHFFFAOYSA-N -1 3 279.296 2.899 20 5 CFBDHM Cc1c(NC(=O)[N-]OC2CCCC2)cccc1[N+](=O)[O-] ZINC000271771715 191317119 /nfs/dbraw/zinc/31/71/19/191317119.db2.gz GAZZMWKWKGCNGP-UHFFFAOYSA-N -1 3 279.296 2.899 20 5 CFBDHM COc1ccc([O-])c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000034556078 372510800 /nfs/dbraw/zinc/51/08/00/372510800.db2.gz RGPXZMZZKWMCJV-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM C[C@H](NC(=O)c1ccccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000055465116 373554657 /nfs/dbraw/zinc/55/46/57/373554657.db2.gz BDFSZYXJOWXKDB-JTQLQIEISA-N -1 3 286.287 2.791 20 5 CFBDHM C[C@@H]1C[C@H](C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330558834 378583841 /nfs/dbraw/zinc/58/38/41/378583841.db2.gz AJROTDPBQFMUNI-PHIMTYICSA-N -1 3 264.325 2.778 20 5 CFBDHM C[C@@H]1CCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000330414513 378548803 /nfs/dbraw/zinc/54/88/03/378548803.db2.gz TXMJBTFUQSXKSL-SKDRFNHKSA-N -1 3 250.298 2.579 20 5 CFBDHM CO[C@](C)([C@H](C)NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000411972853 381079398 /nfs/dbraw/zinc/07/93/98/381079398.db2.gz QSKDMKQBDYDTLM-ZUZCIYMTSA-N -1 3 294.351 2.594 20 5 CFBDHM O=[N+]([O-])c1ccc(NCc2ncccc2[O-])c2ccncc21 ZINC000359895054 381663399 /nfs/dbraw/zinc/66/33/99/381663399.db2.gz DJPDHSHYTKJPQH-UHFFFAOYSA-N -1 3 296.286 2.856 20 5 CFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nccs1 ZINC000357330564 382111916 /nfs/dbraw/zinc/11/19/16/382111916.db2.gz HENNZSKPKRLZIY-UHFFFAOYSA-N -1 3 293.304 2.702 20 5 CFBDHM Cc1ccnc([N-]c2cnn(C(C)(C)C)c2)c1[N+](=O)[O-] ZINC000301273028 382131273 /nfs/dbraw/zinc/13/12/73/382131273.db2.gz IDRHUAXRWWXFFD-UHFFFAOYSA-N -1 3 275.312 2.993 20 5 CFBDHM COc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000352041379 382144491 /nfs/dbraw/zinc/14/44/91/382144491.db2.gz XXJWYJUNUHAECQ-XQRVVYSFSA-N -1 3 287.275 2.578 20 5 CFBDHM Cc1ncc([N-]C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000337289464 382795134 /nfs/dbraw/zinc/79/51/34/382795134.db2.gz BYUSSRDVJCMYCW-UHFFFAOYSA-N -1 3 269.307 2.674 20 5 CFBDHM O=C([N-]OC1CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000223639736 382806288 /nfs/dbraw/zinc/80/62/88/382806288.db2.gz CFROHNBWDWXIJJ-UHFFFAOYSA-N -1 3 284.699 2.852 20 5 CFBDHM O=c1cc(CSc2cccc([N+](=O)[O-])c2)occ1[O-] ZINC000337777240 382864047 /nfs/dbraw/zinc/86/40/47/382864047.db2.gz YNGCSOHTGWSYKO-UHFFFAOYSA-N -1 3 279.273 2.546 20 5 CFBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC1CC1 ZINC000338992802 383110325 /nfs/dbraw/zinc/11/03/25/383110325.db2.gz OLPCDCFDCGVSAE-UHFFFAOYSA-N -1 3 250.298 2.532 20 5 CFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263137428 383655398 /nfs/dbraw/zinc/65/53/98/383655398.db2.gz DHWDHZGAKHXHQC-UTUOFQBUSA-N -1 3 292.335 2.698 20 5 CFBDHM Cc1ccc([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000345975349 162289520 /nfs/dbraw/zinc/28/95/20/162289520.db2.gz GDVJXRFGVOUZRJ-UHFFFAOYSA-N -1 3 287.275 2.565 20 5 CFBDHM COc1cccc(C(=O)Nc2ccc([O-])cc2)c1[N+](=O)[O-] ZINC000028649057 171569256 /nfs/dbraw/zinc/56/92/56/171569256.db2.gz LSULJUVQXUOPLS-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM CC(C)(C)c1coc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)n1 ZINC000516580460 270384498 /nfs/dbraw/zinc/38/44/98/270384498.db2.gz HWHLMWITHOBDKM-UHFFFAOYSA-N -1 3 290.279 2.528 20 5 CFBDHM Cc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])c3ncccc23)on1 ZINC000185456399 274681614 /nfs/dbraw/zinc/68/16/14/274681614.db2.gz DDJWYIABIRDPPM-UHFFFAOYSA-N -1 3 298.258 2.692 20 5 CFBDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)[N-]OC1CCCC1 ZINC000135143813 280767125 /nfs/dbraw/zinc/76/71/25/280767125.db2.gz NEQCVDWIXOHTGZ-CMDGGOBGSA-N -1 3 276.292 2.598 20 5 CFBDHM CC(C)c1scnc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000564256352 290199212 /nfs/dbraw/zinc/19/92/12/290199212.db2.gz BRRMEYWREZEMGU-UHFFFAOYSA-N -1 3 292.320 2.822 20 5 CFBDHM Cc1cc(N[C@@H](C)CC(=O)[O-])c2cc([N+](=O)[O-])ccc2n1 ZINC000122157693 301364421 /nfs/dbraw/zinc/36/44/21/301364421.db2.gz QFQKBLTUGRNBDF-VIFPVBQESA-N -1 3 289.291 2.727 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](c2ccncc2)C1 ZINC000583761020 325309539 /nfs/dbraw/zinc/30/95/39/325309539.db2.gz DCWCNFKNBDEOJS-CYBMUJFWSA-N -1 3 299.330 2.685 20 5 CFBDHM CC=Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000360322574 518567782 /nfs/dbraw/zinc/56/77/82/518567782.db2.gz FBUKCPJYMSHFGZ-IHWYPQMZSA-N -1 3 299.286 2.981 20 5 CFBDHM O=C([N-]c1ncccc1Cl)c1ccc([N+](=O)[O-])s1 ZINC000179966705 534474501 /nfs/dbraw/zinc/47/45/01/534474501.db2.gz WXCNPWBBOZCYPY-UHFFFAOYSA-N -1 3 283.696 2.957 20 5 CFBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc([O-])cc1F ZINC000070333196 527294969 /nfs/dbraw/zinc/29/49/69/527294969.db2.gz OBONDSPKCSUCEH-UHFFFAOYSA-N -1 3 290.250 2.621 20 5 CFBDHM CC(C)c1nn(C)cc1[N-]c1ncc([N+](=O)[O-])cc1F ZINC000413270278 528402341 /nfs/dbraw/zinc/40/23/41/528402341.db2.gz ONFXCZLNQHCBIL-UHFFFAOYSA-N -1 3 279.275 2.729 20 5 CFBDHM CC[C@@H](C)CSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820868560 606799483 /nfs/dbraw/zinc/79/94/83/606799483.db2.gz AFTHDWWMRBUIIO-MRVPVSSYSA-N -1 3 293.352 2.913 20 5 CFBDHM CC[C@@H](C)CSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820868560 606799484 /nfs/dbraw/zinc/79/94/84/606799484.db2.gz AFTHDWWMRBUIIO-MRVPVSSYSA-N -1 3 293.352 2.913 20 5 CFBDHM CC(C)O[N-]C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000821213954 622871083 /nfs/dbraw/zinc/87/10/83/622871083.db2.gz NZUNKTCNXMDUQI-UHFFFAOYSA-N -1 3 286.715 2.637 20 5 CFBDHM O=C([N-]Oc1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000773465764 627823280 /nfs/dbraw/zinc/82/32/80/627823280.db2.gz IAFWCFDDXWHZLM-UHFFFAOYSA-N -1 3 292.678 2.972 20 5 CFBDHM O=c1ccnc(C=Cc2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000783710896 628736876 /nfs/dbraw/zinc/73/68/76/628736876.db2.gz OVDFLRPLTVHOKZ-DUXPYHPUSA-N -1 3 277.667 2.914 20 5 CFBDHM O=C([O-])CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC1 ZINC000844837080 632320748 /nfs/dbraw/zinc/32/07/48/632320748.db2.gz 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CO[C@H](C)CCOc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228673277 776562303 /nfs/dbraw/zinc/56/23/03/776562303.db2.gz FCUDNABVSYWXIC-SECBINFHSA-N -1 3 279.296 2.583 20 5 CFBDHM Cc1nc(O[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c(=O)[n-]1 ZINC001229686844 776872904 /nfs/dbraw/zinc/87/29/04/776872904.db2.gz VKLCGEDBOVIASX-SECBINFHSA-N -1 3 289.291 2.847 20 5 CFBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)(F)F ZINC000696600755 777591412 /nfs/dbraw/zinc/59/14/12/777591412.db2.gz JRBRMIXVEONDMF-UHFFFAOYSA-N -1 3 275.255 2.789 20 5 CFBDHM CC[C@@H](C)[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691887 777864000 /nfs/dbraw/zinc/86/40/00/777864000.db2.gz RPRVUYHPMFUKNU-SFYZADRCSA-N -1 3 264.285 2.680 20 5 CFBDHM O=[N+]([O-])c1cc2[n-]c(OC[C@@H]3CCCO3)nc2cc1Cl ZINC001233500836 777970651 /nfs/dbraw/zinc/97/06/51/777970651.db2.gz VJWOISOOPULFLQ-ZETCQYMHSA-N -1 3 297.698 2.682 20 5 CFBDHM O=[N+]([O-])c1cc2nc(OC[C@@H]3CCCO3)[n-]c2cc1Cl ZINC001233500836 777970657 /nfs/dbraw/zinc/97/06/57/777970657.db2.gz 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YYYDDPZDSXCNJX-OAHLLOKOSA-N -1 3 294.351 2.691 20 5 CFBDHM CCc1ccc([N+](=O)[O-])cc1NC([O-])=NOC/C=C/Cl ZINC000289854761 381189152 /nfs/dbraw/zinc/18/91/52/381189152.db2.gz QNSIDIVFBKMVBN-ZZXKWVIFSA-N -1 3 299.714 2.963 20 5 CFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC/C=C/Cl ZINC000289854761 381189160 /nfs/dbraw/zinc/18/91/60/381189160.db2.gz QNSIDIVFBKMVBN-ZZXKWVIFSA-N -1 3 299.714 2.963 20 5 CFBDHM CCC[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000185045375 381520950 /nfs/dbraw/zinc/52/09/50/381520950.db2.gz WYHHWLDOBAOGOW-LLVKDONJSA-N -1 3 286.715 2.591 20 5 CFBDHM Cc1cc(F)c(NC([O-])=NOCC2CC2)cc1[N+](=O)[O-] ZINC000296772958 381537565 /nfs/dbraw/zinc/53/75/65/381537565.db2.gz PEVGHFDEJPUOMU-UHFFFAOYSA-N -1 3 283.259 2.505 20 5 CFBDHM Cc1cc(F)c(NC(=O)[N-]OCC2CC2)cc1[N+](=O)[O-] ZINC000296772958 381537572 /nfs/dbraw/zinc/53/75/72/381537572.db2.gz PEVGHFDEJPUOMU-UHFFFAOYSA-N -1 3 283.259 2.505 20 5 CFBDHM Cc1cc(NCc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC000359896352 381665027 /nfs/dbraw/zinc/66/50/27/381665027.db2.gz GKRCCASFADDOTH-UHFFFAOYSA-N -1 3 259.265 2.616 20 5 CFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[N-]OCC1CC1 ZINC000292859109 381869221 /nfs/dbraw/zinc/86/92/21/381869221.db2.gz WFLLWQZLRIUNSS-UHFFFAOYSA-N -1 3 279.296 2.675 20 5 CFBDHM Cc1ccc(C)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000187537643 382204879 /nfs/dbraw/zinc/20/48/79/382204879.db2.gz LETLZWPYIDOOLB-UHFFFAOYSA-N -1 3 287.275 2.565 20 5 CFBDHM O=[N+]([O-])c1cnc([N-]c2cnn(CC(F)(F)F)c2)s1 ZINC000192458370 382709137 /nfs/dbraw/zinc/70/91/37/382709137.db2.gz IIVMYORJDQATKS-UHFFFAOYSA-N -1 3 293.230 2.554 20 5 CFBDHM C[C@H](C1CC1)n1cc([N-]c2ncc([N+](=O)[O-])s2)cn1 ZINC000192539240 382709820 /nfs/dbraw/zinc/70/98/20/382709820.db2.gz GJTWZRKLAFMERZ-SSDOTTSWSA-N -1 3 279.325 2.962 20 5 CFBDHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1[O-] ZINC000338038085 382909333 /nfs/dbraw/zinc/90/93/33/382909333.db2.gz FYFONAIRPBVLOK-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM COCC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000337945075 382876021 /nfs/dbraw/zinc/87/60/21/382876021.db2.gz HWSLKWKFKYBTGH-AWEZNQCLSA-N -1 3 296.367 2.841 20 5 CFBDHM C[C@@H]1C[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339003193 383117220 /nfs/dbraw/zinc/11/72/20/383117220.db2.gz FXEYDZXNRZMBNF-ZJUUUORDSA-N -1 3 250.298 2.531 20 5 CFBDHM CC1(C)CC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000569883735 383547379 /nfs/dbraw/zinc/54/73/79/383547379.db2.gz ZWVWQWSRVWDKEV-GFCCVEGCSA-N -1 3 250.298 2.579 20 5 CFBDHM CCCC[C@@H](C(=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000573855664 384001464 /nfs/dbraw/zinc/00/14/64/384001464.db2.gz QUDRSLLELQIBLN-ZDUSSCGKSA-N -1 3 280.324 2.670 20 5 CFBDHM CCc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186857640 393549446 /nfs/dbraw/zinc/54/94/46/393549446.db2.gz AZBTUWHYZSMRHW-UHFFFAOYSA-N -1 3 287.275 2.510 20 5 CFBDHM CC[C@H](C)n1nc([N-]c2ncc([N+](=O)[O-])cc2C)cc1C ZINC000538293464 394600444 /nfs/dbraw/zinc/60/04/44/394600444.db2.gz HMVRKZJJPAOZDM-JTQLQIEISA-N -1 3 289.339 2.940 20 5 CFBDHM Cc1cc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])no1 ZINC000006271503 170187136 /nfs/dbraw/zinc/18/71/36/170187136.db2.gz LSTKXTCGRWGOQX-UHFFFAOYSA-N -1 3 281.655 2.797 20 5 CFBDHM C[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000339005739 287354937 /nfs/dbraw/zinc/35/49/37/287354937.db2.gz ZNGOZXWXLXSXPK-MNOVXSKESA-N -1 3 264.325 2.921 20 5 CFBDHM Cc1ccc([O-])c(CNCc2cccc([N+](=O)[O-])c2C)n1 ZINC000231883524 525351643 /nfs/dbraw/zinc/35/16/43/525351643.db2.gz PCTZZIFGYBLPPY-UHFFFAOYSA-N -1 3 287.319 2.602 20 5 CFBDHM O=[N+]([O-])c1cnc([N-]c2cnn(C(F)F)c2)c(Cl)c1 ZINC000361670187 527412117 /nfs/dbraw/zinc/41/21/17/527412117.db2.gz NQJWRRVWHVNOJJ-UHFFFAOYSA-N -1 3 289.629 2.978 20 5 CFBDHM Cc1cnc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000754625201 574109529 /nfs/dbraw/zinc/10/95/29/574109529.db2.gz NQIDAXVAGSIAML-UHFFFAOYSA-N -1 3 281.655 2.797 20 5 CFBDHM CC(C)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820021382 599099323 /nfs/dbraw/zinc/09/93/23/599099323.db2.gz SYAQGISCBGEFHA-MRVPVSSYSA-N -1 3 293.352 2.912 20 5 CFBDHM CC(C)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820021382 599099326 /nfs/dbraw/zinc/09/93/26/599099326.db2.gz SYAQGISCBGEFHA-MRVPVSSYSA-N -1 3 293.352 2.912 20 5 CFBDHM CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000061171601 600215412 /nfs/dbraw/zinc/21/54/12/600215412.db2.gz WVWZPBRQTBMLLY-UHFFFAOYSA-N -1 3 286.715 2.543 20 5 CFBDHM O=C(Nc1ccccc1[O-])c1cc(F)ccc1[N+](=O)[O-] ZINC000121263612 617903589 /nfs/dbraw/zinc/90/35/89/617903589.db2.gz RAEOVLJVVYSCBN-UHFFFAOYSA-N -1 3 276.223 2.692 20 5 CFBDHM Cc1ccc(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cc1[N+](=O)[O-] ZINC000263332236 620134422 /nfs/dbraw/zinc/13/44/22/620134422.db2.gz LSPJPDCIJWYDBC-DGCLKSJQSA-N -1 3 292.335 2.588 20 5 CFBDHM CCc1ccc2c(c1)CCN2c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000897612997 620259146 /nfs/dbraw/zinc/25/91/46/620259146.db2.gz DDBOUFIGIGAFAK-UHFFFAOYSA-N -1 3 285.303 2.952 20 5 CFBDHM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C(C)C ZINC000899351514 620550628 /nfs/dbraw/zinc/55/06/28/620550628.db2.gz MNGZXMZDYAVVMQ-LBPRGKRZSA-N -1 3 279.271 2.729 20 5 CFBDHM O=C([O-])CC1(NCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000901708624 620903553 /nfs/dbraw/zinc/90/35/53/620903553.db2.gz XFMPNCRPAHUQHX-UHFFFAOYSA-N -1 3 298.726 2.735 20 5 CFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCCC23CCC3)c1 ZINC000903630272 621411444 /nfs/dbraw/zinc/41/14/44/621411444.db2.gz AOGUYDPXMKZSTK-UHFFFAOYSA-N -1 3 290.319 2.812 20 5 CFBDHM O=C([N-]OC/C=C/Cl)c1c(Cl)cccc1[N+](=O)[O-] ZINC000794292854 629632643 /nfs/dbraw/zinc/63/26/43/629632643.db2.gz JWXJAPKMVCGENE-GORDUTHDSA-N -1 3 291.090 2.662 20 5 CFBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])Cc2ccccc21 ZINC000853090265 634900668 /nfs/dbraw/zinc/90/06/68/634900668.db2.gz JDAANTIZOCIUDI-SNVBAGLBSA-N -1 3 285.303 2.819 20 5 CFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)[N-]OCC1CCC1 ZINC000856349918 635792639 /nfs/dbraw/zinc/79/26/39/635792639.db2.gz VECOILGLJMPPJT-UHFFFAOYSA-N -1 3 298.726 2.639 20 5 CFBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C1CCCC1 ZINC001225664276 775546676 /nfs/dbraw/zinc/54/66/76/775546676.db2.gz MCWNKNPIHYVFRD-MRVPVSSYSA-N -1 3 252.270 2.653 20 5 CFBDHM CCC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C(C)C ZINC001225667110 775548659 /nfs/dbraw/zinc/54/86/59/775548659.db2.gz PNNWRMCRNBDSCP-SNVBAGLBSA-N -1 3 254.286 2.899 20 5 CFBDHM C[C@@H]1CC[C@H](C)[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225668149 775550204 /nfs/dbraw/zinc/55/02/04/775550204.db2.gz YXTMOLXQOVOYRJ-WCABBAIRSA-N -1 3 266.297 2.899 20 5 CFBDHM CC(C)CCOC(=O)[C@@H](C)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226333347 775783000 /nfs/dbraw/zinc/78/30/00/775783000.db2.gz KCBGIODJKZKXFX-SNVBAGLBSA-N -1 3 297.307 2.657 20 5 CFBDHM C[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])c1nccs1 ZINC001226334921 775783959 /nfs/dbraw/zinc/78/39/59/775783959.db2.gz ARNNJSSUHPSICC-SSDOTTSWSA-N -1 3 266.278 2.897 20 5 CFBDHM O=[N+]([O-])c1cnc(O[C@H]2CC3CCC2CC3)c2[n-]cnc21 ZINC001227691472 776258792 /nfs/dbraw/zinc/25/87/92/776258792.db2.gz OVROFADLBGSVDK-AMUVOQDHSA-N -1 3 288.307 2.824 20 5 CFBDHM O=[N+]([O-])c1cnc(O[C@@H]2CCCC[C@H]2F)c2[n-]cnc21 ZINC001227691939 776259282 /nfs/dbraw/zinc/25/92/82/776259282.db2.gz RWDDDENDAHACFZ-VXNVDRBHSA-N -1 3 280.259 2.526 20 5 CFBDHM O=[N+]([O-])c1cnc(OC2CCCCCC2)c2[n-]cnc21 ZINC001227690744 776259691 /nfs/dbraw/zinc/25/96/91/776259691.db2.gz KMPXKLDWNXASCC-UHFFFAOYSA-N -1 3 276.296 2.968 20 5 CFBDHM CCO[C@H](C)COc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228674594 776561720 /nfs/dbraw/zinc/56/17/20/776561720.db2.gz JYMKWURMIBXVIP-SECBINFHSA-N -1 3 279.296 2.583 20 5 CFBDHM Cc1cc2[n-]c(OCCOC(C)C)nc2cc1[N+](=O)[O-] ZINC001228673533 776562149 /nfs/dbraw/zinc/56/21/49/776562149.db2.gz HATMLIDSBILCBA-UHFFFAOYSA-N -1 3 279.296 2.583 20 5 CFBDHM Cc1cc2[n-]c(OC[C@H]3CCC=CO3)nc2cc1[N+](=O)[O-] ZINC001228674629 776562516 /nfs/dbraw/zinc/56/25/16/776562516.db2.gz KGRDXJQYPJXWCI-SNVBAGLBSA-N -1 3 289.291 2.851 20 5 CFBDHM Cc1cc2[n-]c(O[C@@H]3CCO[C@H](C)C3)nc2cc1[N+](=O)[O-] ZINC001228674597 776562597 /nfs/dbraw/zinc/56/25/97/776562597.db2.gz JYSWUJHYDOUBOG-NXEZZACHSA-N -1 3 291.307 2.726 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2cccnc2)c1[N+](=O)[O-] ZINC001228686147 776567332 /nfs/dbraw/zinc/56/73/32/776567332.db2.gz LUNDEUWIJDZUCC-VIFPVBQESA-N -1 3 275.264 2.539 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)Cc2ccco2)c1[N+](=O)[O-] ZINC001228689376 776568909 /nfs/dbraw/zinc/56/89/09/776568909.db2.gz SXSHJHUJBGGWOK-QMMMGPOBSA-N -1 3 278.264 2.607 20 5 CFBDHM C[C@@H]1CCC[C@@H](C)C1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225668181 777158121 /nfs/dbraw/zinc/15/81/21/777158121.db2.gz ZPVRVTIBRRPHLY-RKDXNWHRSA-N -1 3 266.297 2.899 20 5 CFBDHM CC[C@H](C)[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691888 777864800 /nfs/dbraw/zinc/86/48/00/777864800.db2.gz RPRVUYHPMFUKNU-YUMQZZPRSA-N -1 3 264.285 2.680 20 5 CFBDHM Cc1noc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])c1C ZINC000714059655 777896745 /nfs/dbraw/zinc/89/67/45/777896745.db2.gz GNGBUHSCHLPBKF-UHFFFAOYSA-N -1 3 279.227 2.591 20 5 CFBDHM CC(C)OCCOc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233500413 777971018 /nfs/dbraw/zinc/97/10/18/777971018.db2.gz RSFLHJZLRNRMMZ-UHFFFAOYSA-N -1 3 299.714 2.928 20 5 CFBDHM CC(C)OCCOc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500413 777971024 /nfs/dbraw/zinc/97/10/24/777971024.db2.gz RSFLHJZLRNRMMZ-UHFFFAOYSA-N -1 3 299.714 2.928 20 5 CFBDHM CC(C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233500982 777972798 /nfs/dbraw/zinc/97/27/98/777972798.db2.gz WNZJWLTWEAFOJL-UHFFFAOYSA-N -1 3 255.661 2.912 20 5 CFBDHM CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000707971345 781260371 /nfs/dbraw/zinc/26/03/71/781260371.db2.gz AIGXSYGXTZDBNF-QMMMGPOBSA-N -1 3 286.715 2.543 20 5 CFBDHM CC(C)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596129160 349801461 /nfs/dbraw/zinc/80/14/61/349801461.db2.gz OMSCDVHJZGHNPY-NSHDSACASA-N -1 3 279.340 2.958 20 5 CFBDHM CC(C)(C)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596132454 349802769 /nfs/dbraw/zinc/80/27/69/349802769.db2.gz LNIFCDQNCQWTFD-UHFFFAOYSA-N -1 3 279.340 2.958 20 5 CFBDHM COCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596161321 349813442 /nfs/dbraw/zinc/81/34/42/349813442.db2.gz UFYJGODUDXAGRY-UHFFFAOYSA-N -1 3 295.339 2.704 20 5 CFBDHM O=c1[n-]ccc(N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)c1[N+](=O)[O-] ZINC000596169217 349816387 /nfs/dbraw/zinc/81/63/87/349816387.db2.gz CWTOHXUEUOHQCN-KWCYVHTRSA-N -1 3 297.314 2.836 20 5 CFBDHM O=c1[n-]ccc(NCC23CCC(CC2)C3)c1[N+](=O)[O-] ZINC000596175344 349817355 /nfs/dbraw/zinc/81/73/55/349817355.db2.gz NICALZRCHHZOMZ-UHFFFAOYSA-N -1 3 263.297 2.688 20 5 CFBDHM Cc1c(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cnn1CC(C)C ZINC000596178620 349818503 /nfs/dbraw/zinc/81/85/03/349818503.db2.gz ILLPBOPXWCWQGN-UHFFFAOYSA-N -1 3 291.311 2.600 20 5 CFBDHM O=c1[n-]ccc(NC2CCC3(CC3)CC2)c1[N+](=O)[O-] ZINC000596211064 349827769 /nfs/dbraw/zinc/82/77/69/349827769.db2.gz OPMBICHEDLXZDV-UHFFFAOYSA-N -1 3 263.297 2.830 20 5 CFBDHM CC(C)O[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596220112 349831097 /nfs/dbraw/zinc/83/10/97/349831097.db2.gz WGEKYYJVJKTSDD-GHMZBOCLSA-N -1 3 295.339 2.699 20 5 CFBDHM CCCc1nc(C)c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])o1 ZINC000596242156 349837822 /nfs/dbraw/zinc/83/78/22/349837822.db2.gz NSDBJFSHBNTUNX-UHFFFAOYSA-N -1 3 292.295 2.556 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2CC23CCSCC3)c1[N+](=O)[O-] ZINC000596278060 349850971 /nfs/dbraw/zinc/85/09/71/349850971.db2.gz JLQGUQBHXKJYAI-SECBINFHSA-N -1 3 295.364 2.641 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CCC[C@H]3C[C@H]32)c1[N+](=O)[O-] ZINC000596474966 349912325 /nfs/dbraw/zinc/91/23/25/349912325.db2.gz UUYZWVCMPBWJOD-LPEHRKFASA-N -1 3 263.297 2.544 20 5 CFBDHM CCn1c(C)nc([N+](=O)[O-])c1Sc1ccccc1[O-] ZINC000311476559 348412951 /nfs/dbraw/zinc/41/29/51/348412951.db2.gz ZSSKZDRNZCTLDJ-UHFFFAOYSA-N -1 3 279.321 2.976 20 5 CFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000593737828 349316928 /nfs/dbraw/zinc/31/69/28/349316928.db2.gz WGKODVUKWUOULM-TXEJJXNPSA-N -1 3 290.319 2.525 20 5 CFBDHM CC[C@@H]1C[C@@H](C)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738711 349317315 /nfs/dbraw/zinc/31/73/15/349317315.db2.gz KBBAWMJBDGTUCH-ZWNOBZJWSA-N -1 3 292.335 2.913 20 5 CFBDHM C[C@@H]1CC[C@H](C)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739285 349318216 /nfs/dbraw/zinc/31/82/16/349318216.db2.gz XUOAVFICKPMGFO-WDEREUQCSA-N -1 3 292.335 2.913 20 5 CFBDHM C[C@H]1CC[C@H](C)N1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593744283 349318970 /nfs/dbraw/zinc/31/89/70/349318970.db2.gz OWWDVJLWQZNQRA-UWVGGRQHSA-N -1 3 278.308 2.666 20 5 CFBDHM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594040522 349359798 /nfs/dbraw/zinc/35/97/98/349359798.db2.gz GNBZMXBXPRPJLQ-HIFRSBDPSA-N -1 3 294.351 2.738 20 5 CFBDHM Cc1scc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC000601217935 350700948 /nfs/dbraw/zinc/70/09/48/350700948.db2.gz PRHLCACLEHSCIZ-UHFFFAOYSA-N -1 3 279.321 2.986 20 5 CFBDHM C[C@@H](CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC000601981814 350823201 /nfs/dbraw/zinc/82/32/01/350823201.db2.gz YYAPUTAYAPDTAW-VIFPVBQESA-N -1 3 267.329 2.814 20 5 CFBDHM O=[N+]([O-])c1ccc(NC([O-])=NOCCC(F)(F)F)cc1 ZINC000122452352 187032920 /nfs/dbraw/zinc/03/29/20/187032920.db2.gz RDOFEBDLLVTBEY-UHFFFAOYSA-N -1 3 293.201 2.600 20 5 CFBDHM O=C([N-]OCCC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000122452352 187032921 /nfs/dbraw/zinc/03/29/21/187032921.db2.gz RDOFEBDLLVTBEY-UHFFFAOYSA-N -1 3 293.201 2.600 20 5 CFBDHM Cc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)ns1 ZINC000435753120 240346636 /nfs/dbraw/zinc/34/66/36/240346636.db2.gz OWYKSEIJOJFOIM-UHFFFAOYSA-N -1 3 281.268 2.751 20 5 CFBDHM Cc1nc2cc([N-]C(=O)c3ccc([N+](=O)[O-])o3)ccc2o1 ZINC000027383187 372340949 /nfs/dbraw/zinc/34/09/49/372340949.db2.gz FCLRQPBXYZLBNR-UHFFFAOYSA-N -1 3 287.231 2.890 20 5 CFBDHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])o1 ZINC000120959208 376730852 /nfs/dbraw/zinc/73/08/52/376730852.db2.gz SFESHBZWZUNASO-UHFFFAOYSA-N -1 3 282.639 2.799 20 5 CFBDHM O=C([N-]OC1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000135689781 378158311 /nfs/dbraw/zinc/15/83/11/378158311.db2.gz BBGOKSYGRZPATD-UHFFFAOYSA-N -1 3 284.699 2.852 20 5 CFBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc(C2CC2)on1 ZINC000347984775 381444278 /nfs/dbraw/zinc/44/42/78/381444278.db2.gz QFZGODWGFBSHBJ-UHFFFAOYSA-N -1 3 291.238 2.852 20 5 CFBDHM COc1ccc([O-])cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000186930461 382047405 /nfs/dbraw/zinc/04/74/05/382047405.db2.gz RWEIGNJQKSWPRG-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM Cc1c(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000397021686 382632514 /nfs/dbraw/zinc/63/25/14/382632514.db2.gz RSPAUSCFKLVSKK-MFKMUULPSA-N -1 3 292.335 2.588 20 5 CFBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1ncc(F)cc1F ZINC000192083532 382704667 /nfs/dbraw/zinc/70/46/67/382704667.db2.gz YHPXDXCUXCWRNS-UHFFFAOYSA-N -1 3 279.202 2.520 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ncc(F)cc1F ZINC000192083658 382704746 /nfs/dbraw/zinc/70/47/46/382704746.db2.gz VOWOPWBGFBPBLE-UHFFFAOYSA-N -1 3 293.229 2.829 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]2CCC[C@@H]21 ZINC000339099676 383149467 /nfs/dbraw/zinc/14/94/67/383149467.db2.gz NZXZNXDTKLWMIE-MFKMUULPSA-N -1 3 262.309 2.675 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCC12CCC2 ZINC000339130694 383160163 /nfs/dbraw/zinc/16/01/63/383160163.db2.gz ZTEFROPBAYHBAJ-UHFFFAOYSA-N -1 3 262.309 2.819 20 5 CFBDHM O=C(Nc1cc(Cl)ccc1[O-])c1cc([N+](=O)[O-])c[nH]1 ZINC000340300490 383409237 /nfs/dbraw/zinc/40/92/37/383409237.db2.gz HQQVLJXCXUUOAU-UHFFFAOYSA-N -1 3 281.655 2.534 20 5 CFBDHM CC(C)c1nnc(C(=O)[N-]c2cccc([N+](=O)[O-])c2)s1 ZINC000282910277 385408924 /nfs/dbraw/zinc/40/89/24/385408924.db2.gz MSHIEPJWGSFFFD-UHFFFAOYSA-N -1 3 292.320 2.822 20 5 CFBDHM COc1cc(CNCc2occc2C)c([N+](=O)[O-])cc1[O-] ZINC000291792556 394260643 /nfs/dbraw/zinc/26/06/43/394260643.db2.gz WKQNDLCTDKVLQI-UHFFFAOYSA-N -1 3 292.291 2.500 20 5 CFBDHM O=C([N-]c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000127565423 397602286 /nfs/dbraw/zinc/60/22/86/397602286.db2.gz BBNXYVQDFBDERM-UHFFFAOYSA-N -1 3 286.165 2.857 20 5 CFBDHM CN(CCCCCC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000516187617 270378670 /nfs/dbraw/zinc/37/86/70/270378670.db2.gz GZAPJSXCUOVSDX-UHFFFAOYSA-N -1 3 280.324 2.672 20 5 CFBDHM CC(C)c1ccc(CN2CCC[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263380313 278035809 /nfs/dbraw/zinc/03/58/09/278035809.db2.gz BMKGMSMSGCKBJR-ZDUSSCGKSA-N -1 3 292.335 2.767 20 5 CFBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1[O-] ZINC000127512870 280665311 /nfs/dbraw/zinc/66/53/11/280665311.db2.gz WBAUXYVNFLEYSH-MDZDMXLPSA-N -1 3 284.271 2.952 20 5 CFBDHM Cc1conc1[N-]C(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446223870 302405111 /nfs/dbraw/zinc/40/51/11/302405111.db2.gz BIPJLGIKOSZOFQ-UHFFFAOYSA-N -1 3 295.682 2.527 20 5 CFBDHM Cc1c(CNC(=O)c2cccc([O-])c2)cccc1[N+](=O)[O-] ZINC000360528444 525721962 /nfs/dbraw/zinc/72/19/62/525721962.db2.gz LWLYAVGDEJXCFK-UHFFFAOYSA-N -1 3 286.287 2.539 20 5 CFBDHM Cc1nc(C)c(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)o1 ZINC000360316091 526703821 /nfs/dbraw/zinc/70/38/21/526703821.db2.gz KEFUAJFQOSBKRO-UHFFFAOYSA-N -1 3 279.227 2.591 20 5 CFBDHM COC[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000449768215 536525082 /nfs/dbraw/zinc/52/50/82/536525082.db2.gz AHJZJMGCMXZHBN-LBPRGKRZSA-N -1 3 294.351 2.549 20 5 CFBDHM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000728990125 574144104 /nfs/dbraw/zinc/14/41/04/574144104.db2.gz AYPWSXDKMWLATF-UHFFFAOYSA-N -1 3 291.234 2.797 20 5 CFBDHM C[C@]1(C(=O)[O-])CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633551 619041642 /nfs/dbraw/zinc/04/16/42/619041642.db2.gz FFUAACHXXONMGV-CYBMUJFWSA-N -1 3 298.726 2.687 20 5 CFBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000896784305 619814835 /nfs/dbraw/zinc/81/48/35/619814835.db2.gz ZBWUSEJNGPNVEU-UHFFFAOYSA-N -1 3 251.286 2.544 20 5 CFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]Oc1ccccc1 ZINC000773460852 627822802 /nfs/dbraw/zinc/82/28/02/627822802.db2.gz JJPWOUWMLQOMML-UHFFFAOYSA-N -1 3 286.287 2.638 20 5 CFBDHM O=C([N-]OC/C=C\Cl)c1c(Cl)cccc1[N+](=O)[O-] ZINC000794292853 629632538 /nfs/dbraw/zinc/63/25/38/629632538.db2.gz JWXJAPKMVCGENE-DJWKRKHSSA-N -1 3 291.090 2.662 20 5 CFBDHM CCC[C@@H](O)CCCSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000866031820 638705411 /nfs/dbraw/zinc/70/54/11/638705411.db2.gz AZVXDHLYKMHUNC-SECBINFHSA-N -1 3 286.353 2.729 20 5 CFBDHM Cc1ccc(CN2CCCC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000872159876 641680252 /nfs/dbraw/zinc/68/02/52/641680252.db2.gz RPDLOBUKXULLAT-ZDUSSCGKSA-N -1 3 292.335 2.732 20 5 CFBDHM Cc1noc(C)c1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800144720 646156158 /nfs/dbraw/zinc/15/61/58/646156158.db2.gz CFLNBSHJDMSRFW-UHFFFAOYSA-N -1 3 293.254 2.899 20 5 CFBDHM C[C@@H]1CC[C@@H](C)[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225668148 775550443 /nfs/dbraw/zinc/55/04/43/775550443.db2.gz YXTMOLXQOVOYRJ-KKZNHRDASA-N -1 3 266.297 2.899 20 5 CFBDHM CCc1nc(O[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC001226476802 775838988 /nfs/dbraw/zinc/83/89/88/775838988.db2.gz SNIPCXVEBOILGC-VIFPVBQESA-N -1 3 289.291 2.793 20 5 CFBDHM O=c1[n-]ccc(N[C@H]2CCCC3(CC3)C2)c1[N+](=O)[O-] ZINC000695719543 775960540 /nfs/dbraw/zinc/96/05/40/775960540.db2.gz SLNWBDXZAQBGQW-VIFPVBQESA-N -1 3 263.297 2.830 20 5 CFBDHM C[C@H]1CC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227692049 776258870 /nfs/dbraw/zinc/25/88/70/776258870.db2.gz SOYWGMOBPFVUGD-DTORHVGOSA-N -1 3 276.296 2.824 20 5 CFBDHM C[C@@H]1CCCC[C@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693119 776259647 /nfs/dbraw/zinc/25/96/47/776259647.db2.gz LGHBZTKOMAQKBA-PSASIEDQSA-N -1 3 276.296 2.824 20 5 CFBDHM Cc1cc2[n-]c(OC3CCC(=O)CC3)nc2cc1[N+](=O)[O-] ZINC001228672419 776561458 /nfs/dbraw/zinc/56/14/58/776561458.db2.gz TZAMTROGBNUGTI-UHFFFAOYSA-N -1 3 289.291 2.670 20 5 CFBDHM CCCOC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228672730 776562352 /nfs/dbraw/zinc/56/23/52/776562352.db2.gz AEBIOSWQCGFIQP-JTQLQIEISA-N -1 3 293.323 2.973 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H]2CCC(=O)CC2(C)C)c1[N+](=O)[O-] ZINC001228685641 776567716 /nfs/dbraw/zinc/56/77/16/776567716.db2.gz JCXGSTZLEUUNAT-NSHDSACASA-N -1 3 294.307 2.530 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC001228687467 776568945 /nfs/dbraw/zinc/56/89/45/776568945.db2.gz XMQKTCYMVWOIAQ-PSASIEDQSA-N -1 3 266.297 2.961 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC001228687468 776569126 /nfs/dbraw/zinc/56/91/26/776569126.db2.gz XMQKTCYMVWOIAQ-SCZZXKLOSA-N -1 3 266.297 2.961 20 5 CFBDHM CCO[C@H](C)COc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233505773 777973518 /nfs/dbraw/zinc/97/35/18/777973518.db2.gz GIMRVEHELWPJOY-SSDOTTSWSA-N -1 3 299.714 2.928 20 5 CFBDHM CCO[C@H](C)COc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233505773 777973528 /nfs/dbraw/zinc/97/35/28/777973528.db2.gz GIMRVEHELWPJOY-SSDOTTSWSA-N -1 3 299.714 2.928 20 5 CFBDHM C[C@@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1C ZINC000596056568 349783853 /nfs/dbraw/zinc/78/38/53/349783853.db2.gz YMVLSMLPVPZRSW-OPRDCNLKSA-N -1 3 265.313 2.932 20 5 CFBDHM C[C@@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000596127319 349801148 /nfs/dbraw/zinc/80/11/48/349801148.db2.gz YOOJFLXVLHEQIG-UTLUCORTSA-N -1 3 265.313 2.932 20 5 CFBDHM C[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000596134023 349803145 /nfs/dbraw/zinc/80/31/45/349803145.db2.gz CDVZWOGTVXGEEU-MYJAWHEDSA-N -1 3 265.313 2.932 20 5 CFBDHM CCOCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596168587 349815704 /nfs/dbraw/zinc/81/57/04/349815704.db2.gz PFKVRGDTSWEPED-UHFFFAOYSA-N -1 3 295.339 2.704 20 5 CFBDHM Cc1cc(C)c2c(c1)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596201311 349825816 /nfs/dbraw/zinc/82/58/16/349825816.db2.gz YLGYBCAGJZIXFA-UHFFFAOYSA-N -1 3 299.330 2.875 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000596225164 349833235 /nfs/dbraw/zinc/83/32/35/349833235.db2.gz BGKBTNKWBXMZAB-MRVPVSSYSA-N -1 3 287.266 2.933 20 5 CFBDHM C[C@H]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596217703 349830334 /nfs/dbraw/zinc/83/03/34/349830334.db2.gz OTJUASWVMZHRNR-DTWKUNHWSA-N -1 3 251.286 2.544 20 5 CFBDHM CC(C)O[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596220115 349831296 /nfs/dbraw/zinc/83/12/96/349831296.db2.gz WGEKYYJVJKTSDD-WDEREUQCSA-N -1 3 295.339 2.699 20 5 CFBDHM CC(C)C[C@@H]1C[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596265699 349847385 /nfs/dbraw/zinc/84/73/85/349847385.db2.gz WDFSHCIMNKFAFA-PSASIEDQSA-N -1 3 251.286 2.542 20 5 CFBDHM CN(C[C@H]1CCc2ccccc21)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596544985 349938235 /nfs/dbraw/zinc/93/82/35/349938235.db2.gz UMLRWGXXDJRIOJ-GFCCVEGCSA-N -1 3 299.330 2.862 20 5 CFBDHM O=C([O-])C1(CNCc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000596656116 349970401 /nfs/dbraw/zinc/97/04/01/349970401.db2.gz GJINPWFXUNDMAY-UHFFFAOYSA-N -1 3 298.726 2.593 20 5 CFBDHM Cc1ccc([O-])c(C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000067071644 346790916 /nfs/dbraw/zinc/79/09/16/346790916.db2.gz KETQDGJQAOBYNW-UHFFFAOYSA-N -1 3 286.287 2.539 20 5 CFBDHM Cc1cnc([N-]c2cnn(C(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC000078655531 347267480 /nfs/dbraw/zinc/26/74/80/347267480.db2.gz FJVAAVMQSVGWMD-UHFFFAOYSA-N -1 3 275.312 2.993 20 5 CFBDHM CCc1nn(C)c(Sc2ccccc2[O-])c1[N+](=O)[O-] ZINC000091560514 347592687 /nfs/dbraw/zinc/59/26/87/347592687.db2.gz KBAFCCHZCODXOU-UHFFFAOYSA-N -1 3 279.321 2.748 20 5 CFBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000092703948 347641958 /nfs/dbraw/zinc/64/19/58/347641958.db2.gz OBERTCVFIZWBPZ-UHFFFAOYSA-N -1 3 276.336 2.921 20 5 CFBDHM O=C([O-])[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000591754772 349042155 /nfs/dbraw/zinc/04/21/55/349042155.db2.gz WEOWFGFKONWLNO-SCZZXKLOSA-N -1 3 298.726 2.591 20 5 CFBDHM C[C@@H]1C[C@H](C)CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593730089 349315314 /nfs/dbraw/zinc/31/53/14/349315314.db2.gz COCWSWMHYMPPRJ-PHIMTYICSA-N -1 3 292.335 2.771 20 5 CFBDHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cccc([N+](=O)[O-])c1 ZINC000600676704 350595658 /nfs/dbraw/zinc/59/56/58/350595658.db2.gz ZYFBFAUNKINXBV-QWRGUYRKSA-N -1 3 292.335 2.668 20 5 CFBDHM O=[N+]([O-])c1cnc([N-]c2cnn3c2CCCC3)c(Cl)c1 ZINC000601231043 350704295 /nfs/dbraw/zinc/70/42/95/350704295.db2.gz AHCKMCNMPXIBEM-UHFFFAOYSA-N -1 3 293.714 2.920 20 5 CFBDHM C[C@H](CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC000601981813 350823089 /nfs/dbraw/zinc/82/30/89/350823089.db2.gz YYAPUTAYAPDTAW-SECBINFHSA-N -1 3 267.329 2.814 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000296848096 200015289 /nfs/dbraw/zinc/01/52/89/200015289.db2.gz OIIMFGNOIFSFLL-VIFPVBQESA-N -1 3 297.311 2.703 20 5 CFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCC1CC1 ZINC000297247896 200124552 /nfs/dbraw/zinc/12/45/52/200124552.db2.gz BQTGOKYKSGSVPW-UHFFFAOYSA-N -1 3 279.296 2.620 20 5 CFBDHM Cc1ccc(NC(=O)c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000019838924 372195881 /nfs/dbraw/zinc/19/58/81/372195881.db2.gz XIRVDXKCVUKVBA-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1 ZINC000041031496 372805138 /nfs/dbraw/zinc/80/51/38/372805138.db2.gz KYBYLXXNEYILHJ-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM O=C([O-])CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000049964244 373338624 /nfs/dbraw/zinc/33/86/24/373338624.db2.gz SCWOFYIYLBEFMB-UHFFFAOYSA-N -1 3 298.726 2.545 20 5 CFBDHM CC[C@@H]1[C@H](C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330448864 378558887 /nfs/dbraw/zinc/55/88/87/378558887.db2.gz HHICJFKGFDRJTH-ZWNOBZJWSA-N -1 3 264.325 2.921 20 5 CFBDHM Cc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1[O-] ZINC000174955456 379968371 /nfs/dbraw/zinc/96/83/71/379968371.db2.gz YAYNUAMRTAHRIW-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM Cc1cccc([O-])c1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000183023824 381199492 /nfs/dbraw/zinc/19/94/92/381199492.db2.gz UYKUYLFBJCWOLQ-UHFFFAOYSA-N -1 3 278.289 2.923 20 5 CFBDHM Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000354356282 381223234 /nfs/dbraw/zinc/22/32/34/381223234.db2.gz ARDKPPUZOWZKOR-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]OC[C@@H](C)CC)c1 ZINC000293748160 382263074 /nfs/dbraw/zinc/26/30/74/382263074.db2.gz OVTCLPIBRSFDIK-JTQLQIEISA-N -1 3 296.323 2.701 20 5 CFBDHM O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])[N-]OCCC1CC1 ZINC000493709643 382879918 /nfs/dbraw/zinc/87/99/18/382879918.db2.gz SCIAWOMBDRLTPH-XQRVVYSFSA-N -1 3 294.282 2.595 20 5 CFBDHM Cc1cc(=O)[n-]c(C=Cc2csc([N+](=O)[O-])c2)n1 ZINC000339115793 383154378 /nfs/dbraw/zinc/15/43/78/383154378.db2.gz TVXSGTSQAAOWJT-IHWYPQMZSA-N -1 3 263.278 2.631 20 5 CFBDHM COc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000339115681 383155014 /nfs/dbraw/zinc/15/50/14/383155014.db2.gz QOTLDCAZKNCQJZ-XQRVVYSFSA-N -1 3 287.275 2.578 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](c2cccnc2)C1 ZINC000567796403 383317258 /nfs/dbraw/zinc/31/72/58/383317258.db2.gz AQOCSBBXFKHJBM-CYBMUJFWSA-N -1 3 299.330 2.685 20 5 CFBDHM Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000572100585 383754794 /nfs/dbraw/zinc/75/47/94/383754794.db2.gz MGBVMAHDYMGQPQ-LBPRGKRZSA-N -1 3 292.335 2.590 20 5 CFBDHM Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263346008 383659087 /nfs/dbraw/zinc/65/90/87/383659087.db2.gz OQGQOMSETLTTJR-YPMHNXCESA-N -1 3 292.335 2.588 20 5 CFBDHM Cc1[nH]nc(C(=O)[N-]c2ccsc2Cl)c1[N+](=O)[O-] ZINC000438559221 384019966 /nfs/dbraw/zinc/01/99/66/384019966.db2.gz QGYMTVUWGFCAOA-UHFFFAOYSA-N -1 3 286.700 2.594 20 5 CFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccccc1[O-] ZINC000194474918 393699644 /nfs/dbraw/zinc/69/96/44/393699644.db2.gz NYULYVJMVDHZAH-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492999917 394121535 /nfs/dbraw/zinc/12/15/35/394121535.db2.gz VSBFKAKPEGPJEE-BREXMAIKSA-N -1 3 296.298 2.841 20 5 CFBDHM CCc1nc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c(C)o1 ZINC000355447169 155010056 /nfs/dbraw/zinc/01/00/56/155010056.db2.gz ZMMKQKCFQARYRV-UHFFFAOYSA-N -1 3 293.254 2.845 20 5 CFBDHM CC[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330436467 287057364 /nfs/dbraw/zinc/05/73/64/287057364.db2.gz RAXOSIGCTLBXIY-LLVKDONJSA-N -1 3 250.298 2.675 20 5 CFBDHM Cc1c(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000229298125 270258710 /nfs/dbraw/zinc/25/87/10/270258710.db2.gz GNNJGRRKVOMYTK-YGRLFVJLSA-N -1 3 292.335 2.588 20 5 CFBDHM Cc1cccc(C)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187543489 281211235 /nfs/dbraw/zinc/21/12/35/281211235.db2.gz VALWLPNKRBNIIW-UHFFFAOYSA-N -1 3 287.275 2.565 20 5 CFBDHM Cc1cscc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000154429305 289894344 /nfs/dbraw/zinc/89/43/44/289894344.db2.gz VCRQALHADZEJHQ-UHFFFAOYSA-N -1 3 252.251 2.810 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)[O-])CC1 ZINC000563126130 290106316 /nfs/dbraw/zinc/10/63/16/290106316.db2.gz RTDVRGDYMGWHCS-LLVKDONJSA-N -1 3 292.335 2.761 20 5 CFBDHM CC(C)N(CC(=O)[O-])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444711 600215204 /nfs/dbraw/zinc/21/52/04/600215204.db2.gz PFTHXIOSKYJDEO-UHFFFAOYSA-N -1 3 286.715 2.543 20 5 CFBDHM Cc1[n-]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1C(C)C ZINC000108459830 619360637 /nfs/dbraw/zinc/36/06/37/619360637.db2.gz URMOYBKIQOHKKF-LBPRGKRZSA-N -1 3 261.281 2.590 20 5 CFBDHM O=[N+]([O-])c1cnc([N-]c2cnn(C3CCC3)c2)s1 ZINC000897107759 619934496 /nfs/dbraw/zinc/93/44/96/619934496.db2.gz TUAGXCVNMDYUSG-UHFFFAOYSA-N -1 3 265.298 2.716 20 5 CFBDHM COC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCCC1 ZINC000897406465 620105025 /nfs/dbraw/zinc/10/50/25/620105025.db2.gz SUUCPCVSKCLORT-UHFFFAOYSA-N -1 3 295.339 2.847 20 5 CFBDHM Cc1cc(=O)[n-]c(CSc2ccc([N+](=O)[O-])cc2F)n1 ZINC000788502088 629075333 /nfs/dbraw/zinc/07/53/33/629075333.db2.gz JHYAZDRJXVFLDC-UHFFFAOYSA-N -1 3 295.295 2.830 20 5 CFBDHM O=C([O-])CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCC1 ZINC000848599656 633297810 /nfs/dbraw/zinc/29/78/10/633297810.db2.gz NYGZIEHDJZHKNS-UHFFFAOYSA-N -1 3 298.726 2.687 20 5 CFBDHM O=c1[n-]ccc(N2CCC3(CCCC3)CC2)c1[N+](=O)[O-] ZINC000853362531 634983629 /nfs/dbraw/zinc/98/36/29/634983629.db2.gz WCXNWNVHKWUIDP-UHFFFAOYSA-N -1 3 277.324 2.856 20 5 CFBDHM CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000865745741 638549590 /nfs/dbraw/zinc/54/95/90/638549590.db2.gz JXLUNZRWCCRHQP-AWEZNQCLSA-N -1 3 294.351 2.738 20 5 CFBDHM CCc1ocnc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800148982 646157403 /nfs/dbraw/zinc/15/74/03/646157403.db2.gz MSTRGFUDBSQBBJ-UHFFFAOYSA-N -1 3 293.254 2.845 20 5 CFBDHM O=[N+]([O-])c1cc(Nc2ccc3nccn3c2)ccc1[O-] ZINC001210393055 770278664 /nfs/dbraw/zinc/27/86/64/770278664.db2.gz MEHHHANENYQQLY-UHFFFAOYSA-N -1 3 270.248 2.692 20 5 CFBDHM O=C([N-]c1cnoc1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001143391546 770543060 /nfs/dbraw/zinc/54/30/60/770543060.db2.gz IFPGXIUXPDNPEV-UHFFFAOYSA-N -1 3 285.618 2.628 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCOc2ccccc21 ZINC001225666709 775549032 /nfs/dbraw/zinc/54/90/32/775549032.db2.gz LEYWRILYZQAQQV-GFCCVEGCSA-N -1 3 288.259 2.598 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1OC1CCC(F)(F)CC1 ZINC001225667671 775549278 /nfs/dbraw/zinc/54/92/78/775549278.db2.gz WDDXBWCRQBLHRD-UHFFFAOYSA-N -1 3 274.223 2.652 20 5 CFBDHM C[C@H](Oc1c([O-])cccc1[N+](=O)[O-])c1nccs1 ZINC001226334923 775784354 /nfs/dbraw/zinc/78/43/54/775784354.db2.gz ARNNJSSUHPSICC-ZETCQYMHSA-N -1 3 266.278 2.897 20 5 CFBDHM O=[N+]([O-])c1cccc([O-])c1O[C@H]1CC(F)(F)C1(F)F ZINC001226341808 775785286 /nfs/dbraw/zinc/78/52/86/775785286.db2.gz UQQMUXAZOVSYAN-ZETCQYMHSA-N -1 3 281.161 2.722 20 5 CFBDHM O=[N+]([O-])c1cnc(OC2CCCCC2)c2[n-]cnc21 ZINC001227692836 776259593 /nfs/dbraw/zinc/25/95/93/776259593.db2.gz FPYOAWQCOPWGTF-UHFFFAOYSA-N -1 3 262.269 2.578 20 5 CFBDHM CC[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(C)C ZINC001227694980 776260695 /nfs/dbraw/zinc/26/06/95/776260695.db2.gz JSSGKTLUFHOFCD-SECBINFHSA-N -1 3 264.285 2.680 20 5 CFBDHM Cc1cc2[n-]c(OC3CC(F)(F)C3)nc2cc1[N+](=O)[O-] ZINC001228672885 776562282 /nfs/dbraw/zinc/56/22/82/776562282.db2.gz CHBKSWYVJGTJFG-UHFFFAOYSA-N -1 3 283.234 2.956 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@@H]3[C@H](C2)C3(C)C)c1[N+](=O)[O-] ZINC001228689670 776568786 /nfs/dbraw/zinc/56/87/86/776568786.db2.gz VWBVMYDYMHVZDO-OWUUHHOZSA-N -1 3 278.308 2.817 20 5 CFBDHM CC[C@@H](C)[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689575 776569241 /nfs/dbraw/zinc/56/92/41/776569241.db2.gz UHXISSDIDVDWQH-VXNVDRBHSA-N -1 3 254.286 2.817 20 5 CFBDHM C[C@@H]1CC(Oc2nccc([O-])c2[N+](=O)[O-])C[C@@H](C)C1 ZINC001225666031 777154875 /nfs/dbraw/zinc/15/48/75/777154875.db2.gz FROJJBMAYMFZJG-IUCAKERBSA-N -1 3 266.297 2.899 20 5 CFBDHM CC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCC1 ZINC000596119730 349798914 /nfs/dbraw/zinc/79/89/14/349798914.db2.gz NJNNGLPYAVIETM-UHFFFAOYSA-N -1 3 251.286 2.688 20 5 CFBDHM O=c1[n-]ccc(N2CCCc3ccccc3C2)c1[N+](=O)[O-] ZINC000596122154 349799894 /nfs/dbraw/zinc/79/98/94/349799894.db2.gz JRBRQJTUURDBLD-UHFFFAOYSA-N -1 3 285.303 2.648 20 5 CFBDHM CS[C@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596132292 349802950 /nfs/dbraw/zinc/80/29/50/349802950.db2.gz WUSKXXQLEGRMDP-BDAKNGLRSA-N -1 3 283.353 2.782 20 5 CFBDHM CC(C)CC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596156169 349811700 /nfs/dbraw/zinc/81/17/00/349811700.db2.gz GIXHMPQDWFAXQM-UHFFFAOYSA-N -1 3 265.313 2.934 20 5 CFBDHM CC(C)C1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596155758 349811895 /nfs/dbraw/zinc/81/18/95/349811895.db2.gz WHZWSVGNYKKJDX-UHFFFAOYSA-N -1 3 251.286 2.544 20 5 CFBDHM CCC[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596159321 349813013 /nfs/dbraw/zinc/81/30/13/349813013.db2.gz AQSMWVWLJIPVDX-SNVBAGLBSA-N -1 3 265.313 2.712 20 5 CFBDHM CC(C)OC1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596175201 349817846 /nfs/dbraw/zinc/81/78/46/349817846.db2.gz POPXRQSLQDHGFN-UHFFFAOYSA-N -1 3 295.339 2.844 20 5 CFBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC000596191541 349822572 /nfs/dbraw/zinc/82/25/72/349822572.db2.gz WTMYYEJUQBMSGC-VIFPVBQESA-N -1 3 265.313 2.568 20 5 CFBDHM O=c1[n-]ccc(N[C@@H]2CC23CCCCC3)c1[N+](=O)[O-] ZINC000596182111 349819317 /nfs/dbraw/zinc/81/93/17/349819317.db2.gz NLKRCRUOCOVGOI-SNVBAGLBSA-N -1 3 263.297 2.830 20 5 CFBDHM C[C@H]1CCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596221046 349831164 /nfs/dbraw/zinc/83/11/64/349831164.db2.gz UCAOSIZAEKKVFH-DTWKUNHWSA-N -1 3 251.286 2.544 20 5 CFBDHM CC(C)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596222815 349832062 /nfs/dbraw/zinc/83/20/62/349832062.db2.gz NBDOBJAUGYZCOV-JTQLQIEISA-N -1 3 265.313 2.568 20 5 CFBDHM O=c1[n-]ccc(NCCC2CC(F)(F)C2)c1[N+](=O)[O-] ZINC000596264807 349847363 /nfs/dbraw/zinc/84/73/63/349847363.db2.gz JXMNDIQIWSHBNH-UHFFFAOYSA-N -1 3 273.239 2.543 20 5 CFBDHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCc2ccccc21 ZINC000596296123 349855634 /nfs/dbraw/zinc/85/56/34/349855634.db2.gz RLWGHKBLOMUWQP-NSHDSACASA-N -1 3 299.330 2.862 20 5 CFBDHM CN(C[C@@H]1CCc2ccccc21)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596544986 349937838 /nfs/dbraw/zinc/93/78/38/349937838.db2.gz UMLRWGXXDJRIOJ-LBPRGKRZSA-N -1 3 299.330 2.862 20 5 CFBDHM C[C@H]1CC[C@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000091937319 347604091 /nfs/dbraw/zinc/60/40/91/347604091.db2.gz GGTWVQCCUVSZCH-UWVGGRQHSA-N -1 3 250.298 2.673 20 5 CFBDHM CCC(CC)N(CCOC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092565778 347632484 /nfs/dbraw/zinc/63/24/84/347632484.db2.gz LYUWCOWETTVHAT-UHFFFAOYSA-N -1 3 296.367 2.937 20 5 CFBDHM C[C@@H]1CC(C)(C)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738516 349317072 /nfs/dbraw/zinc/31/70/72/349317072.db2.gz GLYPYHROQDQVKE-SNVBAGLBSA-N -1 3 292.335 2.913 20 5 CFBDHM CC[C@]1(C)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593740585 349318329 /nfs/dbraw/zinc/31/83/29/349318329.db2.gz GRVHTQXYCSHKHA-OAHLLOKOSA-N -1 3 292.335 2.915 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2CCCC23CC3)c1[N+](=O)[O-] ZINC000599199006 350395277 /nfs/dbraw/zinc/39/52/77/350395277.db2.gz XVBYUQPGTNHCSC-SECBINFHSA-N -1 3 263.297 2.688 20 5 CFBDHM Cc1ccnc([N-]c2cnn(-c3ccccn3)c2)c1[N+](=O)[O-] ZINC000610076970 351533839 /nfs/dbraw/zinc/53/38/39/351533839.db2.gz ILWNSOOWTCBIBR-UHFFFAOYSA-N -1 3 296.290 2.623 20 5 CFBDHM O=c1[n-]c(-c2ccc([N+](=O)[O-])s2)nc2cccc(F)c12 ZINC000610724135 351597375 /nfs/dbraw/zinc/59/73/75/351597375.db2.gz YHJYKVRSTXSNEI-UHFFFAOYSA-N -1 3 291.263 2.699 20 5 CFBDHM COC(=O)c1cc([N-]c2sccc2[N+](=O)[O-])cn1C ZINC000611413683 351686885 /nfs/dbraw/zinc/68/68/85/351686885.db2.gz MBWHIUBRWWMGGG-UHFFFAOYSA-N -1 3 281.293 2.525 20 5 CFBDHM CCOC(=O)c1cc([N-]c2sccc2[N+](=O)[O-])cn1C ZINC000611413625 351686971 /nfs/dbraw/zinc/68/69/71/351686971.db2.gz IQBHTJVIWSVITH-UHFFFAOYSA-N -1 3 295.320 2.915 20 5 CFBDHM O=C(Nc1ccc(C2CC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000611335462 351669024 /nfs/dbraw/zinc/66/90/24/351669024.db2.gz XGIUNQBZVKNJMR-UHFFFAOYSA-N -1 3 299.286 2.825 20 5 CFBDHM O=[N+]([O-])c1cccc(NC([O-])=NOCCC(F)(F)F)c1 ZINC000122438195 187032476 /nfs/dbraw/zinc/03/24/76/187032476.db2.gz SBEVQYCLYRALMT-UHFFFAOYSA-N -1 3 293.201 2.600 20 5 CFBDHM O=C([N-]OCCC(F)(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC000122438195 187032477 /nfs/dbraw/zinc/03/24/77/187032477.db2.gz SBEVQYCLYRALMT-UHFFFAOYSA-N -1 3 293.201 2.600 20 5 CFBDHM O=C([O-])c1cccc(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000213491448 295991013 /nfs/dbraw/zinc/99/10/13/295991013.db2.gz KDMHLPJVYBQWFO-UHFFFAOYSA-N -1 3 286.287 2.583 20 5 CFBDHM CCCc1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000018840948 372147818 /nfs/dbraw/zinc/14/78/18/372147818.db2.gz ILOINRBHNIDMTA-UHFFFAOYSA-N -1 3 292.320 2.651 20 5 CFBDHM CC(C)N(CC(=O)[O-])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633495 375278369 /nfs/dbraw/zinc/27/83/69/375278369.db2.gz LBYUNYXZCLYFAH-UHFFFAOYSA-N -1 3 286.715 2.543 20 5 CFBDHM CCn1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000129761600 377469895 /nfs/dbraw/zinc/46/98/95/377469895.db2.gz LQYOLXPIQLOPBF-UHFFFAOYSA-N -1 3 267.676 2.603 20 5 CFBDHM CC(C)ON=C([O-])Nc1cccc([N+](=O)[O-])c1Cl ZINC000296624058 381478389 /nfs/dbraw/zinc/47/83/89/381478389.db2.gz BUTWFHUUBAUYDN-UHFFFAOYSA-N -1 3 273.676 2.710 20 5 CFBDHM CC(C)O[N-]C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000296624058 381478398 /nfs/dbraw/zinc/47/83/98/381478398.db2.gz BUTWFHUUBAUYDN-UHFFFAOYSA-N -1 3 273.676 2.710 20 5 CFBDHM CC(=O)c1ccc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC000359894076 381664038 /nfs/dbraw/zinc/66/40/38/381664038.db2.gz BSNFPNJMTAVPCO-UHFFFAOYSA-N -1 3 287.275 2.510 20 5 CFBDHM Cc1ccc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)c([O-])c1 ZINC000291093194 381665191 /nfs/dbraw/zinc/66/51/91/381665191.db2.gz PULWBHXMNRHARY-UHFFFAOYSA-N -1 3 291.307 2.739 20 5 CFBDHM CCc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000186777239 382010734 /nfs/dbraw/zinc/01/07/34/382010734.db2.gz UUYLFXZJCSSXDJ-UHFFFAOYSA-N -1 3 287.275 2.510 20 5 CFBDHM C[C@@H](C1CC1)n1cc([N-]c2ncccc2[N+](=O)[O-])cn1 ZINC000302431640 382249395 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CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncc(C)o1 ZINC000348268939 154388950 /nfs/dbraw/zinc/38/89/50/154388950.db2.gz PUHYVGIIGYVYGT-UHFFFAOYSA-N -1 3 291.263 2.542 20 5 CFBDHM Cc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000006969128 170259535 /nfs/dbraw/zinc/25/95/35/170259535.db2.gz GCUSFAHCEAXPKF-UHFFFAOYSA-N -1 3 269.307 2.674 20 5 CFBDHM O=C([O-])CC[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000043585509 175071865 /nfs/dbraw/zinc/07/18/65/175071865.db2.gz NXQXJPKJEBVJIU-LBPRGKRZSA-N -1 3 292.335 2.672 20 5 CFBDHM CC1(C)C[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C(C)(C)O1 ZINC000330738503 278369468 /nfs/dbraw/zinc/36/94/68/278369468.db2.gz NQPRYLKTQOFWMC-CYBMUJFWSA-N -1 3 294.351 2.736 20 5 CFBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc([O-])c1F ZINC000128323260 280676269 /nfs/dbraw/zinc/67/62/69/280676269.db2.gz BDRIDFXYTBJVOW-UHFFFAOYSA-N -1 3 290.250 2.621 20 5 CFBDHM CCc1noc(C)c1[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000132705752 280735420 /nfs/dbraw/zinc/73/54/20/280735420.db2.gz BXDMMHDMOOJUKW-UHFFFAOYSA-N -1 3 275.264 2.706 20 5 CFBDHM O=C(Nc1ccccc1[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC000135776231 280778339 /nfs/dbraw/zinc/77/83/39/280778339.db2.gz NADLNRKYUYAALO-UHFFFAOYSA-N -1 3 276.223 2.692 20 5 CFBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])Nc1ccccc1[O-] ZINC000255777057 281107784 /nfs/dbraw/zinc/10/77/84/281107784.db2.gz WBAUXYVNFLEYSH-KTKRTIGZSA-N -1 3 284.271 2.952 20 5 CFBDHM Cc1c(CC(=O)Nc2ccccc2[O-])cccc1[N+](=O)[O-] ZINC000158097295 289969945 /nfs/dbraw/zinc/96/99/45/289969945.db2.gz SVWMAGYCSNWADL-UHFFFAOYSA-N -1 3 286.287 2.790 20 5 CFBDHM O=C([O-])CCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000581493863 325127117 /nfs/dbraw/zinc/12/71/17/325127117.db2.gz MDDRTPPBPBZAQS-UHFFFAOYSA-N -1 3 292.335 2.814 20 5 CFBDHM O=c1[n-]ccc(NC2C[C@H]3CC[C@@H](C2)S3)c1[N+](=O)[O-] ZINC000829142155 782120565 /nfs/dbraw/zinc/12/05/65/782120565.db2.gz CVSLRWRSTWPNFU-CBLAIPOGSA-N -1 3 281.337 2.534 20 5 CFBDHM O=C([O-])C1(NCc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000739519780 574216855 /nfs/dbraw/zinc/21/68/55/574216855.db2.gz OOODVMSVNHHNQG-UHFFFAOYSA-N -1 3 284.337 2.533 20 5 CFBDHM C/C(=C\CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C(=O)[O-] ZINC000825730048 601158670 /nfs/dbraw/zinc/15/86/70/601158670.db2.gz QOJIYPZJMHCEIG-XYOKQWHBSA-N -1 3 292.335 2.836 20 5 CFBDHM CCN(CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827150210 604955815 /nfs/dbraw/zinc/95/58/15/604955815.db2.gz BKRUEJCCIZWNGE-NSHDSACASA-N -1 3 295.339 2.554 20 5 CFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cccnc1F ZINC000236180946 618609192 /nfs/dbraw/zinc/60/91/92/618609192.db2.gz PTSHAKNIPOUUMJ-UHFFFAOYSA-N -1 3 279.202 2.520 20 5 CFBDHM CCCO[N-]C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000823607875 623359450 /nfs/dbraw/zinc/35/94/50/623359450.db2.gz GBQMERRPVFLAEB-UHFFFAOYSA-N -1 3 286.715 2.639 20 5 CFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cscn1 ZINC000800149460 646157550 /nfs/dbraw/zinc/15/75/50/646157550.db2.gz RHBOUFWZSMUEPN-UHFFFAOYSA-N -1 3 281.268 2.751 20 5 CFBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC000695470005 775849599 /nfs/dbraw/zinc/84/95/99/775849599.db2.gz WLNDOQSUUXIACH-MRVPVSSYSA-N -1 3 253.302 2.790 20 5 CFBDHM Cc1ccc([C@@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)cn1 ZINC001227691437 776259869 /nfs/dbraw/zinc/25/98/69/776259869.db2.gz OIMSOCSOIADSOJ-SECBINFHSA-N -1 3 299.290 2.710 20 5 CFBDHM CCCOC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228672733 776562572 /nfs/dbraw/zinc/56/25/72/776562572.db2.gz AEBIOSWQCGFIQP-SNVBAGLBSA-N -1 3 293.323 2.973 20 5 CFBDHM CCOC[C@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228675395 776563097 /nfs/dbraw/zinc/56/30/97/776563097.db2.gz PUJZWFRBSJSVJC-VIFPVBQESA-N -1 3 279.296 2.583 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2cccnc2)c1[N+](=O)[O-] ZINC001228686146 776567074 /nfs/dbraw/zinc/56/70/74/776567074.db2.gz LUNDEUWIJDZUCC-SECBINFHSA-N -1 3 275.264 2.539 20 5 CFBDHM Cc1[n-]c(=O)cc(OC2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC001228685407 776567931 /nfs/dbraw/zinc/56/79/31/776567931.db2.gz HHXVHRZAMZJGOH-UHFFFAOYSA-N -1 3 288.250 2.961 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H]2C[C@@H]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC001228688366 776569636 /nfs/dbraw/zinc/56/96/36/776569636.db2.gz IIRSCFCVTDBHRQ-KXUCPTDWSA-N -1 3 264.281 2.571 20 5 CFBDHM O=[N+]([O-])C[C@@H](Oc1c(Cl)ccc([O-])c1F)C1CC1 ZINC001234262827 778195162 /nfs/dbraw/zinc/19/51/62/778195162.db2.gz ISZBCNPZUABYPO-SECBINFHSA-N -1 3 275.663 2.619 20 5 CFBDHM COCC1(NCc2cc([O-])ccc2[N+](=O)[O-])CCCCC1 ZINC000595908085 349766690 /nfs/dbraw/zinc/76/66/90/349766690.db2.gz FQEKXLNDWLFLKQ-UHFFFAOYSA-N -1 3 294.351 2.739 20 5 CFBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000596051105 349781965 /nfs/dbraw/zinc/78/19/65/349781965.db2.gz LKVFYCQZJKIMFW-LBPRGKRZSA-N -1 3 292.335 2.771 20 5 CFBDHM CS[C@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596132294 349803079 /nfs/dbraw/zinc/80/30/79/349803079.db2.gz WUSKXXQLEGRMDP-IUCAKERBSA-N -1 3 283.353 2.782 20 5 CFBDHM C[C@@]1(c2ccccc2)C[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596143065 349806626 /nfs/dbraw/zinc/80/66/26/349806626.db2.gz XFVBGOOVCHKZNP-WFASDCNBSA-N -1 3 285.303 2.838 20 5 CFBDHM CC(C)CSCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596174795 349817914 /nfs/dbraw/zinc/81/79/14/349817914.db2.gz IHPKDUHYWQYPGS-UHFFFAOYSA-N -1 3 285.369 2.887 20 5 CFBDHM Cc1cnc([C@H](C)CNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596199607 349825799 /nfs/dbraw/zinc/82/57/99/349825799.db2.gz TYOGBKOXQZKYOS-SSDOTTSWSA-N -1 3 294.336 2.676 20 5 CFBDHM CC(C)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596222816 349832212 /nfs/dbraw/zinc/83/22/12/349832212.db2.gz NBDOBJAUGYZCOV-SNVBAGLBSA-N -1 3 265.313 2.568 20 5 CFBDHM O=c1[n-]ccc(N2CCSC3(CCC3)CC2)c1[N+](=O)[O-] ZINC000596270706 349848606 /nfs/dbraw/zinc/84/86/06/349848606.db2.gz QPXQWOOWYXGSAP-UHFFFAOYSA-N -1 3 295.364 2.561 20 5 CFBDHM CCC(O)(CC)C(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596360532 349876999 /nfs/dbraw/zinc/87/69/99/349876999.db2.gz AAGOGVWXKHNHDF-UHFFFAOYSA-N -1 3 297.355 2.685 20 5 CFBDHM Cc1ccc(CC2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc1 ZINC000596485464 349916601 /nfs/dbraw/zinc/91/66/01/349916601.db2.gz JHIMTMLXMXQKJR-UHFFFAOYSA-N -1 3 299.330 2.683 20 5 CFBDHM CC[C@H](C)CN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000091795994 347599973 /nfs/dbraw/zinc/59/99/73/347599973.db2.gz ZZNGNJAPRJHNBY-JTQLQIEISA-N -1 3 252.314 2.778 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000093442905 347674567 /nfs/dbraw/zinc/67/45/67/347674567.db2.gz IYDRDEGXCBITJA-PHIMTYICSA-N -1 3 262.309 2.532 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(CCC2)C1 ZINC000093455768 347675229 /nfs/dbraw/zinc/67/52/29/347675229.db2.gz PWONABAWZXLZHB-UHFFFAOYSA-N -1 3 262.309 2.676 20 5 CFBDHM C[C@H]1CC[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093498129 347677345 /nfs/dbraw/zinc/67/73/45/347677345.db2.gz GVEBQYCVMFOHTI-QWRGUYRKSA-N -1 3 264.325 2.921 20 5 CFBDHM CC(C)n1cc([N-]c2ncc([N+](=O)[O-])s2)cn1 ZINC000226772465 348184753 /nfs/dbraw/zinc/18/47/53/348184753.db2.gz CIQQDSHVAGEXJA-UHFFFAOYSA-N -1 3 253.287 2.572 20 5 CFBDHM CCCCN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732288 349316347 /nfs/dbraw/zinc/31/63/47/349316347.db2.gz KJHBTXVNDNELOW-UHFFFAOYSA-N -1 3 266.297 2.525 20 5 CFBDHM C[C@@H]1C[C@H](C)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738086 349317468 /nfs/dbraw/zinc/31/74/68/349317468.db2.gz MNJLAIZHKZQVAF-VHSXEESVSA-N -1 3 278.308 2.523 20 5 CFBDHM C[C@@H]1CC[C@@H](C)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593739282 349317831 /nfs/dbraw/zinc/31/78/31/349317831.db2.gz XUOAVFICKPMGFO-GHMZBOCLSA-N -1 3 292.335 2.913 20 5 CFBDHM O=c1[n-]ccc(NCC[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000599156991 350386947 /nfs/dbraw/zinc/38/69/47/350386947.db2.gz PQETVQISEFRJSK-SNVBAGLBSA-N -1 3 263.297 2.854 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](c2ccco2)C1 ZINC000611271353 351661420 /nfs/dbraw/zinc/66/14/20/351661420.db2.gz VCKRMGVODRDHBS-NSHDSACASA-N -1 3 288.303 2.883 20 5 CFBDHM CC[C@H](C)CON=C([O-])Nc1ccc([N+](=O)[O-])cc1F ZINC000291983417 198125038 /nfs/dbraw/zinc/12/50/38/198125038.db2.gz ZDYPOQCDOBQBEG-QMMMGPOBSA-N -1 3 285.275 2.833 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000291983417 198125040 /nfs/dbraw/zinc/12/50/40/198125040.db2.gz ZDYPOQCDOBQBEG-QMMMGPOBSA-N -1 3 285.275 2.833 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000296848085 200015122 /nfs/dbraw/zinc/01/51/22/200015122.db2.gz OIIMFGNOIFSFLL-SECBINFHSA-N -1 3 297.311 2.703 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc([O-])c1 ZINC000169913558 540538837 /nfs/dbraw/zinc/53/88/37/540538837.db2.gz MMOMSFYMAYZTTH-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM Cc1nn(C)c([N-]c2ccn(CCC(C)C)n2)c1[N+](=O)[O-] ZINC000302009225 201296038 /nfs/dbraw/zinc/29/60/38/201296038.db2.gz BRGRZQUZYBZNPP-UHFFFAOYSA-N -1 3 292.343 2.623 20 5 CFBDHM CCC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000451737985 383694125 /nfs/dbraw/zinc/69/41/25/383694125.db2.gz HZVGQECBXCQJJO-UHFFFAOYSA-N -1 3 298.364 2.596 20 5 CFBDHM Cc1ccnc([N-]c2cnn(C(C)C)c2)c1[N+](=O)[O-] ZINC000070496338 374187355 /nfs/dbraw/zinc/18/73/55/374187355.db2.gz YFBASJAPZMHFIW-UHFFFAOYSA-N -1 3 261.285 2.819 20 5 CFBDHM O=C(Nc1cc(F)ccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000174885366 379955811 /nfs/dbraw/zinc/95/58/11/379955811.db2.gz YEJSULJNKHVZTG-UHFFFAOYSA-N -1 3 276.223 2.692 20 5 CFBDHM Cc1cccc([O-])c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000179545882 380554060 /nfs/dbraw/zinc/55/40/60/380554060.db2.gz MXNGYAZFHQYKLY-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM COc1cc(CNc2ncc(C)s2)c([N+](=O)[O-])cc1[O-] ZINC000185855364 381757341 /nfs/dbraw/zinc/75/73/41/381757341.db2.gz MFFHWWZYBVMOBP-UHFFFAOYSA-N -1 3 295.320 2.686 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2CCC[C@H]21 ZINC000339099674 383148934 /nfs/dbraw/zinc/14/89/34/383148934.db2.gz NZXZNXDTKLWMIE-GXFFZTMASA-N -1 3 262.309 2.675 20 5 CFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263329271 383658825 /nfs/dbraw/zinc/65/88/25/383658825.db2.gz LDXVVXPKHPNDCU-NQBHXWOUSA-N -1 3 292.335 2.698 20 5 CFBDHM CSCCON=C([O-])Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000280713928 385125084 /nfs/dbraw/zinc/12/50/84/385125084.db2.gz CLHIQRPWIKJKRQ-UHFFFAOYSA-N -1 3 299.352 2.628 20 5 CFBDHM CSCCO[N-]C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000280713928 385125090 /nfs/dbraw/zinc/12/50/90/385125090.db2.gz CLHIQRPWIKJKRQ-UHFFFAOYSA-N -1 3 299.352 2.628 20 5 CFBDHM Cc1ccc(NC(=O)/C=C/c2cncc([O-])c2)cc1[N+](=O)[O-] ZINC000179381524 393466382 /nfs/dbraw/zinc/46/63/82/393466382.db2.gz WYYBKAAGDHMRPQ-HWKANZROSA-N -1 3 299.286 2.656 20 5 CFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cccc([O-])c1F ZINC000128871111 394077748 /nfs/dbraw/zinc/07/77/48/394077748.db2.gz FGWCCQUOQXCVCZ-UHFFFAOYSA-N -1 3 290.250 2.621 20 5 CFBDHM C[C@@H](C1CC1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000556799543 395015578 /nfs/dbraw/zinc/01/55/78/395015578.db2.gz QMFTYHOPTJHQBM-VIFPVBQESA-N -1 3 250.298 2.531 20 5 CFBDHM C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000418120703 397567959 /nfs/dbraw/zinc/56/79/59/397567959.db2.gz CNXKTTBHEFBQNG-OUAUKWLOSA-N -1 3 264.325 2.777 20 5 CFBDHM Cc1ccc([O-])c(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000055797108 175582067 /nfs/dbraw/zinc/58/20/67/175582067.db2.gz BCJLDBNPWDAYQL-UHFFFAOYSA-N -1 3 286.287 2.539 20 5 CFBDHM CC1(C)C[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C(C)(C)O1 ZINC000330738504 278388931 /nfs/dbraw/zinc/38/89/31/278388931.db2.gz NQPRYLKTQOFWMC-ZDUSSCGKSA-N -1 3 294.351 2.736 20 5 CFBDHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ccccn3)c2)n1 ZINC000531961990 281442792 /nfs/dbraw/zinc/44/27/92/281442792.db2.gz GFHPAAIQGDWRTM-UHFFFAOYSA-N -1 3 296.290 2.623 20 5 CFBDHM CC(C)N(CC(=O)[O-])Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000263487443 519637841 /nfs/dbraw/zinc/63/78/41/519637841.db2.gz HRCGCSBSCCQUMB-UHFFFAOYSA-N -1 3 286.715 2.543 20 5 CFBDHM CNc1c(C(=O)Nc2ccccc2[O-])cccc1[N+](=O)[O-] ZINC000361172399 522542127 /nfs/dbraw/zinc/54/21/27/522542127.db2.gz SBPAZFMRKPUIEI-UHFFFAOYSA-N -1 3 287.275 2.594 20 5 CFBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c([O-])c1 ZINC000052949011 525233114 /nfs/dbraw/zinc/23/31/14/525233114.db2.gz OKLJHSCVCWKRPH-UHFFFAOYSA-N -1 3 287.275 2.565 20 5 CFBDHM Cc1ccc([N+](=O)[O-])c(NCc2ccc([O-])c(F)c2)n1 ZINC000360881946 526062922 /nfs/dbraw/zinc/06/29/22/526062922.db2.gz DLVNNQGFIFUQIK-UHFFFAOYSA-N -1 3 277.255 2.755 20 5 CFBDHM CCC(CC)(CNC(=O)[O-])NCc1ccc([N+](=O)[O-])cc1 ZINC000739254642 574203203 /nfs/dbraw/zinc/20/32/03/574203203.db2.gz SDUUSTKMIDTXOZ-UHFFFAOYSA-N -1 3 295.339 2.511 20 5 CFBDHM Cc1nn(C)c([N-]c2ccn(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000734140816 574274321 /nfs/dbraw/zinc/27/43/21/574274321.db2.gz BGTNKSYWOJMDRS-UHFFFAOYSA-N -1 3 298.306 2.566 20 5 CFBDHM O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(F)cc1[O-] ZINC000750159143 574328699 /nfs/dbraw/zinc/32/86/99/574328699.db2.gz MEAWCOKBVKZTGV-UHFFFAOYSA-N -1 3 297.263 2.858 20 5 CFBDHM CCOc1ccc([N+](=O)[O-])cc1C=Cc1nccc(=O)[n-]1 ZINC000764433140 627059971 /nfs/dbraw/zinc/05/99/71/627059971.db2.gz COPNQIKCMZKCMD-UTCJRWHESA-N -1 3 287.275 2.660 20 5 CFBDHM O=c1ccnc(C=Cc2ccc([N+](=O)[O-])c(Cl)c2)[n-]1 ZINC000774128875 627891063 /nfs/dbraw/zinc/89/10/63/627891063.db2.gz CMJLYTJPXYPLEI-RQOWECAXSA-N -1 3 277.667 2.914 20 5 CFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)[N-]OCCC1CC1 ZINC000817408015 632621963 /nfs/dbraw/zinc/62/19/63/632621963.db2.gz IMXFXTOHKXKUNZ-UHFFFAOYSA-N -1 3 298.726 2.639 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCc2ccccc21 ZINC001225661801 775545594 /nfs/dbraw/zinc/54/55/94/775545594.db2.gz PKNSFODFEHIYBV-LBPRGKRZSA-N -1 3 272.260 2.762 20 5 CFBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])C1CCCC1 ZINC001225664278 775547229 /nfs/dbraw/zinc/54/72/29/775547229.db2.gz MCWNKNPIHYVFRD-QMMMGPOBSA-N -1 3 252.270 2.653 20 5 CFBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccs1 ZINC001225663097 775547268 /nfs/dbraw/zinc/54/72/68/775547268.db2.gz YUBFKQOCZPERHF-ZETCQYMHSA-N -1 3 266.278 2.897 20 5 CFBDHM CC(C)CC[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225665457 775547628 /nfs/dbraw/zinc/54/76/28/775547628.db2.gz AEHLMBGLCUJJTI-VIFPVBQESA-N -1 3 254.286 2.899 20 5 CFBDHM C[C@H]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225667255 775548374 /nfs/dbraw/zinc/54/83/74/775548374.db2.gz QUOOKVQSVGJIRI-DTORHVGOSA-N -1 3 252.270 2.653 20 5 CFBDHM C[C@H]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225667257 775549177 /nfs/dbraw/zinc/54/91/77/775549177.db2.gz QUOOKVQSVGJIRI-KYZUINATSA-N -1 3 252.270 2.653 20 5 CFBDHM C[C@@H](Cc1ccccc1)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225668192 775550834 /nfs/dbraw/zinc/55/08/34/775550834.db2.gz ZURULROTSJOOMW-JTQLQIEISA-N -1 3 274.276 2.705 20 5 CFBDHM CCCC(=O)[C@@H](CCC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225668194 775550931 /nfs/dbraw/zinc/55/09/31/775550931.db2.gz ZUVGPEWOCKFBAD-LLVKDONJSA-N -1 3 282.296 2.612 20 5 CFBDHM C[C@H]1CCCC[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225668002 775551153 /nfs/dbraw/zinc/55/11/53/775551153.db2.gz XQHXQIIBIIQGOP-WPRPVWTQSA-N -1 3 252.270 2.653 20 5 CFBDHM O=c1[n-]ccc(N[C@@H]2CCCC3(CC3)C2)c1[N+](=O)[O-] ZINC000695719541 775960816 /nfs/dbraw/zinc/96/08/16/775960816.db2.gz SLNWBDXZAQBGQW-SECBINFHSA-N -1 3 263.297 2.830 20 5 CFBDHM C[C@H]1CC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227692051 776260016 /nfs/dbraw/zinc/26/00/16/776260016.db2.gz SOYWGMOBPFVUGD-KYZUINATSA-N -1 3 276.296 2.824 20 5 CFBDHM C[C@H]1CCC[C@@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227691801 776260028 /nfs/dbraw/zinc/26/00/28/776260028.db2.gz QHQJUFALXIVBLF-DTWKUNHWSA-N -1 3 276.296 2.824 20 5 CFBDHM O=[N+]([O-])c1ccc2nc(OC3CC(F)(F)C3)[n-]c2c1 ZINC001227746813 776277689 /nfs/dbraw/zinc/27/76/89/776277689.db2.gz VMROMHSCSAKXBD-UHFFFAOYSA-N -1 3 269.207 2.648 20 5 CFBDHM O=[N+]([O-])c1ccc2[n-]c(OC3CC(F)(F)C3)nc2c1 ZINC001227746813 776277692 /nfs/dbraw/zinc/27/76/92/776277692.db2.gz VMROMHSCSAKXBD-UHFFFAOYSA-N -1 3 269.207 2.648 20 5 CFBDHM Cc1cc2[n-]c(O[C@@H]3C=CCC3)nc2cc1[N+](=O)[O-] ZINC001228672872 776561984 /nfs/dbraw/zinc/56/19/84/776561984.db2.gz BUWXOVHQGQERSP-SECBINFHSA-N -1 3 259.265 2.877 20 5 CFBDHM Cc1cc2[n-]c(O[C@H]3C=CCC3)nc2cc1[N+](=O)[O-] ZINC001228672873 776562042 /nfs/dbraw/zinc/56/20/42/776562042.db2.gz BUWXOVHQGQERSP-VIFPVBQESA-N -1 3 259.265 2.877 20 5 CFBDHM Cc1cc2[n-]c(OC[C@@H]3CCCCO3)nc2cc1[N+](=O)[O-] ZINC001228674655 776562078 /nfs/dbraw/zinc/56/20/78/776562078.db2.gz KTOMYULYJXDBQE-JTQLQIEISA-N -1 3 291.307 2.727 20 5 CFBDHM Cc1cc2[n-]c(OC[C@@H]3CCO[C@@H]3C)nc2cc1[N+](=O)[O-] ZINC001228672698 776562541 /nfs/dbraw/zinc/56/25/41/776562541.db2.gz ZROUUIUARMRFTF-ZJUUUORDSA-N -1 3 291.307 2.583 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2ccncc2F)c1[N+](=O)[O-] ZINC001228688655 776568878 /nfs/dbraw/zinc/56/88/78/776568878.db2.gz MEMFNTOVPXALJC-QMMMGPOBSA-N -1 3 293.254 2.678 20 5 CFBDHM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000594981344 349537875 /nfs/dbraw/zinc/53/78/75/349537875.db2.gz XVXIUFPOQITTJU-GFCCVEGCSA-N -1 3 250.298 2.579 20 5 CFBDHM C[C@H](CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596106613 349795511 /nfs/dbraw/zinc/79/55/11/349795511.db2.gz URDYXNPGBUDYQO-LLVKDONJSA-N -1 3 287.319 2.935 20 5 CFBDHM O=c1[n-]ccc(N2CC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596118371 349798972 /nfs/dbraw/zinc/79/89/72/349798972.db2.gz XOCVLOXQMQXMEO-LBPRGKRZSA-N -1 3 285.303 2.689 20 5 CFBDHM O=c1[n-]ccc(NCCOC2CCCCCC2)c1[N+](=O)[O-] ZINC000596130219 349802055 /nfs/dbraw/zinc/80/20/55/349802055.db2.gz OBGQVGCLVBUDIU-UHFFFAOYSA-N -1 3 295.339 2.847 20 5 CFBDHM O=c1[n-]ccc(N[C@@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC000596165018 349814317 /nfs/dbraw/zinc/81/43/17/349814317.db2.gz IRNNIRKPOXNVQE-NWGYLPEXSA-N -1 3 263.297 2.686 20 5 CFBDHM CCCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596160711 349813804 /nfs/dbraw/zinc/81/38/04/349813804.db2.gz SXAIAHXNVIHAMO-UHFFFAOYSA-N -1 3 251.286 2.688 20 5 CFBDHM C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1(C)C ZINC000596192727 349823196 /nfs/dbraw/zinc/82/31/96/349823196.db2.gz VHNIMXGIDOKRLF-SECBINFHSA-N -1 3 265.313 2.568 20 5 CFBDHM Cc1csc([C@H](C)CNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596196656 349824894 /nfs/dbraw/zinc/82/48/94/349824894.db2.gz XMJRSSSRECBMRK-SSDOTTSWSA-N -1 3 294.336 2.676 20 5 CFBDHM CC(C)O[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596220114 349831283 /nfs/dbraw/zinc/83/12/83/349831283.db2.gz WGEKYYJVJKTSDD-QWRGUYRKSA-N -1 3 295.339 2.699 20 5 CFBDHM C[C@@H]1CCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596221048 349831289 /nfs/dbraw/zinc/83/12/89/349831289.db2.gz UCAOSIZAEKKVFH-RKDXNWHRSA-N -1 3 251.286 2.544 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2CCCCC2(F)F)c1[N+](=O)[O-] ZINC000596256244 349842886 /nfs/dbraw/zinc/84/28/86/349842886.db2.gz CEFWBFRWPYQPFG-MRVPVSSYSA-N -1 3 287.266 2.933 20 5 CFBDHM COCC(C)(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596243338 349838000 /nfs/dbraw/zinc/83/80/00/349838000.db2.gz JVGFJAFJLXQMGK-UHFFFAOYSA-N -1 3 283.328 2.560 20 5 CFBDHM CC(C)(C)C[C@@H]1C[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596289872 349853914 /nfs/dbraw/zinc/85/39/14/349853914.db2.gz FQJQRGQJPBABTO-WCBMZHEXSA-N -1 3 265.313 2.932 20 5 CFBDHM O=c1[n-]ccc(N2CCC(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000596424278 349899132 /nfs/dbraw/zinc/89/91/32/349899132.db2.gz FUMGISWVSLXPFP-UHFFFAOYSA-N -1 3 277.324 2.712 20 5 CFBDHM CC[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000091919169 347603057 /nfs/dbraw/zinc/60/30/57/347603057.db2.gz CMIXNWITCDZBIU-LLVKDONJSA-N -1 3 264.325 2.922 20 5 CFBDHM C[C@@H]1CC[C@H](C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093498132 347677094 /nfs/dbraw/zinc/67/70/94/347677094.db2.gz GVEBQYCVMFOHTI-WDEREUQCSA-N -1 3 264.325 2.921 20 5 CFBDHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593331720 349250007 /nfs/dbraw/zinc/25/00/07/349250007.db2.gz ABKWNJUVFKUJJL-PRHODGIISA-N -1 3 298.726 2.686 20 5 CFBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000593730660 349315341 /nfs/dbraw/zinc/31/53/41/349315341.db2.gz VWTNRXAOVATBLZ-UHFFFAOYSA-N -1 3 278.308 2.667 20 5 CFBDHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000600676488 350595556 /nfs/dbraw/zinc/59/55/56/350595556.db2.gz XRHAHPYJEMZZQD-PTEHBNRSSA-N -1 3 292.335 2.668 20 5 CFBDHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000600676486 350595908 /nfs/dbraw/zinc/59/59/08/350595908.db2.gz XRHAHPYJEMZZQD-GHMZBOCLSA-N -1 3 292.335 2.668 20 5 CFBDHM CCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1cnoc1 ZINC000611205784 351651623 /nfs/dbraw/zinc/65/16/23/351651623.db2.gz WDJJFCNOWQAAOG-UHFFFAOYSA-N -1 3 293.304 2.947 20 5 CFBDHM CSc1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccn1 ZINC000611231481 351654223 /nfs/dbraw/zinc/65/42/23/351654223.db2.gz MGSQTZAZFUHLPG-UHFFFAOYSA-N -1 3 279.277 2.557 20 5 CFBDHM CCOc1nc(C(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)co1 ZINC000612422616 351819161 /nfs/dbraw/zinc/81/91/61/351819161.db2.gz HXWPEQZYIYVTBY-UHFFFAOYSA-N -1 3 291.263 2.542 20 5 CFBDHM O=C(Nc1ccc(C2CC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618388792 352764754 /nfs/dbraw/zinc/76/47/54/352764754.db2.gz DKRJACTYSGNWDX-UHFFFAOYSA-N -1 3 299.286 2.825 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000292170327 198189658 /nfs/dbraw/zinc/18/96/58/198189658.db2.gz UTJFZOPDQAUGSK-MRVPVSSYSA-N -1 3 286.715 2.956 20 5 CFBDHM CC(C)CO[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000153541214 188088406 /nfs/dbraw/zinc/08/84/06/188088406.db2.gz JMUBSBLNNYLDPC-UHFFFAOYSA-N -1 3 272.688 2.566 20 5 CFBDHM Cc1cc(NC(=O)[N-]OCC(C)C)ccc1[N+](=O)[O-] ZINC000153830458 188106268 /nfs/dbraw/zinc/10/62/68/188106268.db2.gz HNJYSNUHIDVAQE-UHFFFAOYSA-N -1 3 267.285 2.612 20 5 CFBDHM CCCc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000180242528 189246236 /nfs/dbraw/zinc/24/62/36/189246236.db2.gz DPKPDFCACXLKAX-UHFFFAOYSA-N -1 3 281.293 2.849 20 5 CFBDHM COc1cccc(C(=O)[N-]c2csc(C)n2)c1[N+](=O)[O-] ZINC000444344359 241138259 /nfs/dbraw/zinc/13/82/59/241138259.db2.gz SDTLTAKCFZQJDC-UHFFFAOYSA-N -1 3 293.304 2.621 20 5 CFBDHM O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])[N-]OC1CCCC1 ZINC000492321770 246256347 /nfs/dbraw/zinc/25/63/47/246256347.db2.gz KOCKCURIUNATLN-SOFGYWHQSA-N -1 3 294.282 2.738 20 5 CFBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]OC1CCCCC1 ZINC000492717228 246368752 /nfs/dbraw/zinc/36/87/52/246368752.db2.gz HCUWUOKTFFFUIE-ZHACJKMWSA-N -1 3 290.319 2.989 20 5 CFBDHM CC(C)[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330448150 378558991 /nfs/dbraw/zinc/55/89/91/378558991.db2.gz YWHXRWYFQWCCOY-ZDUSSCGKSA-N -1 3 264.325 2.921 20 5 CFBDHM CCc1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)nc(C)n1 ZINC000174221841 379847219 /nfs/dbraw/zinc/84/72/19/379847219.db2.gz DFISRMLISFCLHZ-UHFFFAOYSA-N -1 3 292.320 2.569 20 5 CFBDHM CC(C)O[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000295513478 380905795 /nfs/dbraw/zinc/90/57/95/380905795.db2.gz HTRVLBCIZFLZIN-UHFFFAOYSA-N -1 3 292.213 2.683 20 5 CFBDHM Cc1cc(C(=O)NCc2ccccc2[N+](=O)[O-])ccc1[O-] ZINC000353868303 380916708 /nfs/dbraw/zinc/91/67/08/380916708.db2.gz GQWMQLJAKKXCQP-UHFFFAOYSA-N -1 3 286.287 2.539 20 5 CFBDHM Cc1cccc([O-])c1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000183034336 381199656 /nfs/dbraw/zinc/19/96/56/381199656.db2.gz VJSMMSXNPWNFET-UHFFFAOYSA-N -1 3 286.287 2.790 20 5 CFBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C ZINC000186743645 381999909 /nfs/dbraw/zinc/99/99/09/381999909.db2.gz JJLNJMVVFCOOPG-UHFFFAOYSA-N -1 3 287.275 2.565 20 5 CFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]OC[C@@H](C)CC ZINC000293729528 382254824 /nfs/dbraw/zinc/25/48/24/382254824.db2.gz NGGXFZARDYKXBO-JTQLQIEISA-N -1 3 296.323 2.701 20 5 CFBDHM COc1cc([O-])cc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000352462452 382346267 /nfs/dbraw/zinc/34/62/67/382346267.db2.gz CVKULLVGKJBMBU-UHFFFAOYSA-N -1 3 294.288 2.623 20 5 CFBDHM COCC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000337945076 382875855 /nfs/dbraw/zinc/87/58/55/382875855.db2.gz HWSLKWKFKYBTGH-CQSZACIVSA-N -1 3 296.367 2.841 20 5 CFBDHM CCCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC1CC1 ZINC000429717386 383562116 /nfs/dbraw/zinc/56/21/16/383562116.db2.gz LSVVAPKOMBNFIT-UHFFFAOYSA-N -1 3 264.325 2.922 20 5 CFBDHM Cc1cnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000443925418 394143339 /nfs/dbraw/zinc/14/33/39/394143339.db2.gz DAHDPIQKSTYFHW-UHFFFAOYSA-N -1 3 287.231 2.890 20 5 CFBDHM CC[C@@H](C)n1nc([N-]c2ncc([N+](=O)[O-])cc2C)cc1C ZINC000538293477 394600108 /nfs/dbraw/zinc/60/01/08/394600108.db2.gz HMVRKZJJPAOZDM-SNVBAGLBSA-N -1 3 289.339 2.940 20 5 CFBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1ncc(F)cc1F ZINC000348028577 154292416 /nfs/dbraw/zinc/29/24/16/154292416.db2.gz ZEKUORHHGSRALM-UHFFFAOYSA-N -1 3 297.192 2.659 20 5 CFBDHM CC[C@@H]1CCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000330435201 287078138 /nfs/dbraw/zinc/07/81/38/287078138.db2.gz AQRPBKIAPWGTAJ-MFKMUULPSA-N -1 3 264.325 2.969 20 5 CFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227832204 270258228 /nfs/dbraw/zinc/25/82/28/270258228.db2.gz PKLGDKDXBIIRBK-NHYWBVRUSA-N -1 3 292.335 2.843 20 5 CFBDHM CC(C)c1ccc(CN2CCC[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263380312 278035804 /nfs/dbraw/zinc/03/58/04/278035804.db2.gz BMKGMSMSGCKBJR-CYBMUJFWSA-N -1 3 292.335 2.767 20 5 CFBDHM Cc1noc([N-]C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000189078662 279254668 /nfs/dbraw/zinc/25/46/68/279254668.db2.gz QWTCQTGSLUEIFC-UHFFFAOYSA-N -1 3 290.279 2.662 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1CC2CCC1CC2 ZINC000339226668 280369005 /nfs/dbraw/zinc/36/90/05/280369005.db2.gz CRUGJYPZTYXJSU-MGULZYLOSA-N -1 3 276.336 2.969 20 5 CFBDHM O=c1[n-]c(-c2ccc([N+](=O)[O-])s2)nc2ccccc12 ZINC000165054581 322384364 /nfs/dbraw/zinc/38/43/64/322384364.db2.gz YUHPTIKQXNPBOE-UHFFFAOYSA-N -1 3 273.273 2.560 20 5 CFBDHM CC[C@H](C(=O)[O-])N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444760 523808381 /nfs/dbraw/zinc/80/83/81/523808381.db2.gz ADNYTKFHKUQGQG-SNVBAGLBSA-N -1 3 286.715 2.543 20 5 CFBDHM O=C([O-])[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000050509159 526313263 /nfs/dbraw/zinc/31/32/63/526313263.db2.gz QWLZLLXUYBSHOC-CQSZACIVSA-N -1 3 286.287 2.510 20 5 CFBDHM O=C([O-])CN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000050444706 527606183 /nfs/dbraw/zinc/60/61/83/527606183.db2.gz WGTJIBDELKZJHH-UHFFFAOYSA-N -1 3 298.726 2.545 20 5 CFBDHM CC(C)CCSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820081760 599089657 /nfs/dbraw/zinc/08/96/57/599089657.db2.gz UTCVDFPEUWJVCD-UHFFFAOYSA-N -1 3 293.352 2.913 20 5 CFBDHM CC(C)CCSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820081760 599089659 /nfs/dbraw/zinc/08/96/59/599089659.db2.gz UTCVDFPEUWJVCD-UHFFFAOYSA-N -1 3 293.352 2.913 20 5 CFBDHM O=C([O-])CCCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000821521287 598166144 /nfs/dbraw/zinc/16/61/44/598166144.db2.gz AONLJJWBPZYYGS-UHFFFAOYSA-N -1 3 286.715 2.593 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CCCC3(CCC3)O2)c1[N+](=O)[O-] ZINC000896169300 619685719 /nfs/dbraw/zinc/68/57/19/619685719.db2.gz FOYUCCJUCDFXPG-JTQLQIEISA-N -1 3 293.323 2.599 20 5 CFBDHM O=C([O-])C1=CC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901728531 620902098 /nfs/dbraw/zinc/90/20/98/620902098.db2.gz AAENIRRUNWIIKJ-JTQLQIEISA-N -1 3 296.710 2.511 20 5 CFBDHM Cc1ncsc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000071971457 625584325 /nfs/dbraw/zinc/58/43/25/625584325.db2.gz JUSXIDDETIYXAU-UHFFFAOYSA-N -1 3 281.268 2.751 20 5 CFBDHM CCC(F)(F)C(=O)[N-]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000829970360 624591903 /nfs/dbraw/zinc/59/19/03/624591903.db2.gz UNGLPTUKIIXYQU-UHFFFAOYSA-N -1 3 292.669 2.910 20 5 CFBDHM Cc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)ns1 ZINC000766368228 627197501 /nfs/dbraw/zinc/19/75/01/627197501.db2.gz MQJJKAAJUISCKN-UHFFFAOYSA-N -1 3 281.268 2.751 20 5 CFBDHM Cc1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)ns1 ZINC000766388112 627199226 /nfs/dbraw/zinc/19/92/26/627199226.db2.gz JZXJLCISLPWPTA-UHFFFAOYSA-N -1 3 299.258 2.890 20 5 CFBDHM CC(C)(C)CC(=O)[N-]OCc1c(F)cccc1[N+](=O)[O-] ZINC000842063202 631521209 /nfs/dbraw/zinc/52/12/09/631521209.db2.gz KCGVDDPDRBXOHM-UHFFFAOYSA-N -1 3 284.287 2.718 20 5 CFBDHM O=C1[N-]C(=O)C(=Cc2cc(Cl)ccc2[N+](=O)[O-])S1 ZINC000874927927 642553945 /nfs/dbraw/zinc/55/39/45/642553945.db2.gz MYBUWAVVYYJURV-XBXARRHUSA-N -1 3 284.680 2.572 20 5 CFBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(F)F ZINC000882780141 645454431 /nfs/dbraw/zinc/45/44/31/645454431.db2.gz UBSXXMRBPSUEHK-UHFFFAOYSA-N -1 3 275.255 2.789 20 5 CFBDHM COc1ccccc1[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225662279 775547592 /nfs/dbraw/zinc/54/75/92/775547592.db2.gz SDPHLWLTYVWWAV-SECBINFHSA-N -1 3 290.275 2.844 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCc2ccccc2C1 ZINC001225668187 775550084 /nfs/dbraw/zinc/55/00/84/775550084.db2.gz ZSGZZAZRZZWBEL-GFCCVEGCSA-N -1 3 286.287 2.632 20 5 CFBDHM C[C@H]1CCCC[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690951 776259331 /nfs/dbraw/zinc/25/93/31/776259331.db2.gz LGHBZTKOMAQKBA-WPRPVWTQSA-N -1 3 276.296 2.824 20 5 CFBDHM CC1(C)C[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CCO1 ZINC001227744221 776277539 /nfs/dbraw/zinc/27/75/39/776277539.db2.gz FHVMTIRACNLNAT-JTQLQIEISA-N -1 3 291.307 2.808 20 5 CFBDHM CC1(C)C[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CCO1 ZINC001227744221 776277544 /nfs/dbraw/zinc/27/75/44/776277544.db2.gz FHVMTIRACNLNAT-JTQLQIEISA-N -1 3 291.307 2.808 20 5 CFBDHM Cc1cc2[n-]c(O[C@H](C)c3cncnc3)nc2cc1[N+](=O)[O-] ZINC001228676035 776564145 /nfs/dbraw/zinc/56/41/45/776564145.db2.gz VHGNCFMDKANVQP-SECBINFHSA-N -1 3 299.290 2.710 20 5 CFBDHM Cc1cc2[n-]c(O[C@H](C)c3cnccn3)nc2cc1[N+](=O)[O-] ZINC001228676309 776564172 /nfs/dbraw/zinc/56/41/72/776564172.db2.gz ZITMGRQXHOUDSZ-SECBINFHSA-N -1 3 299.290 2.710 20 5 CFBDHM CC[C@H](COc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1)OC ZINC001228676184 776564259 /nfs/dbraw/zinc/56/42/59/776564259.db2.gz WWGMBPLKMQOLOO-SECBINFHSA-N -1 3 279.296 2.583 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2ccncc2)c1[N+](=O)[O-] ZINC001228685832 776567662 /nfs/dbraw/zinc/56/76/62/776567662.db2.gz KOYKFGOJIDMYQD-VIFPVBQESA-N -1 3 275.264 2.539 20 5 CFBDHM CCCCOC[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685988 776567834 /nfs/dbraw/zinc/56/78/34/776567834.db2.gz LANZQYQYYVXGKD-VIFPVBQESA-N -1 3 284.312 2.588 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H](C)CC(C)C)c1[N+](=O)[O-] ZINC001228686614 776568010 /nfs/dbraw/zinc/56/80/10/776568010.db2.gz PHAAQXQDNHHCCJ-MRVPVSSYSA-N -1 3 254.286 2.817 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2nccs2)c1[N+](=O)[O-] ZINC001228689898 776569765 /nfs/dbraw/zinc/56/97/65/776569765.db2.gz WVOWXWLHBPATKI-ZETCQYMHSA-N -1 3 281.293 2.600 20 5 CFBDHM CCCC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690725 777864943 /nfs/dbraw/zinc/86/49/43/777864943.db2.gz KCLSHGCZCDGCLM-QMMMGPOBSA-N -1 3 264.285 2.824 20 5 CFBDHM CCOC[C@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233496811 777968548 /nfs/dbraw/zinc/96/85/48/777968548.db2.gz APRYQXLFGOTYDT-ZETCQYMHSA-N -1 3 299.714 2.928 20 5 CFBDHM CO[C@H](C)CCOc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233500122 779045780 /nfs/dbraw/zinc/04/57/80/779045780.db2.gz QIDTZSGOHCETKN-SSDOTTSWSA-N -1 3 299.714 2.928 20 5 CFBDHM CO[C@H](C)CCOc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500122 779045786 /nfs/dbraw/zinc/04/57/86/779045786.db2.gz QIDTZSGOHCETKN-SSDOTTSWSA-N -1 3 299.714 2.928 20 5 CFBDHM C[C@@H]1CCCC[C@H]1OCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596077945 349788827 /nfs/dbraw/zinc/78/88/27/349788827.db2.gz WXONUHOOPOYVPI-ZYHUDNBSSA-N -1 3 295.339 2.703 20 5 CFBDHM C[C@H]1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596086076 349790452 /nfs/dbraw/zinc/79/04/52/349790452.db2.gz UUDUZZQZWADARB-UWVGGRQHSA-N -1 3 265.313 2.934 20 5 CFBDHM CC1(C)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596140297 349805501 /nfs/dbraw/zinc/80/55/01/349805501.db2.gz FXFWJLMHDAECLT-UHFFFAOYSA-N -1 3 265.313 2.712 20 5 CFBDHM O=c1[n-]ccc(Sc2nnc(C3CC3)s2)c1[N+](=O)[O-] ZINC000596147241 349809017 /nfs/dbraw/zinc/80/90/17/349809017.db2.gz PXMBRCFXDMDPNI-UHFFFAOYSA-N -1 3 296.333 2.576 20 5 CFBDHM CC(C)(C)[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596180275 349818662 /nfs/dbraw/zinc/81/86/62/349818662.db2.gz RGEXNSRUGBBSSX-ONGXEEELSA-N -1 3 295.339 2.701 20 5 CFBDHM CS[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC000596191560 349822106 /nfs/dbraw/zinc/82/21/06/349822106.db2.gz XWXDQEAHLQZWGZ-SECBINFHSA-N -1 3 285.369 2.885 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CCCCC2(F)F)c1[N+](=O)[O-] ZINC000596256245 349842717 /nfs/dbraw/zinc/84/27/17/349842717.db2.gz CEFWBFRWPYQPFG-QMMMGPOBSA-N -1 3 287.266 2.933 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000596255521 349842933 /nfs/dbraw/zinc/84/29/33/349842933.db2.gz SQZRQMDLJPZSPU-SSDOTTSWSA-N -1 3 273.239 2.543 20 5 CFBDHM Cc1nc(C(C)C)oc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596240312 349837400 /nfs/dbraw/zinc/83/74/00/349837400.db2.gz VRNNIPWWBFQERH-UHFFFAOYSA-N -1 3 292.295 2.727 20 5 CFBDHM C[C@H]1c2ccccc2C[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596448832 349906249 /nfs/dbraw/zinc/90/62/49/349906249.db2.gz PRFCICIDRZHHJV-TVQRCGJNSA-N -1 3 285.303 2.836 20 5 CFBDHM CO[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596540389 349935624 /nfs/dbraw/zinc/93/56/24/349935624.db2.gz LJZOHWMFUMBUSN-GFCCVEGCSA-N -1 3 295.339 2.703 20 5 CFBDHM C[C@@H]1CC[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093498131 347677146 /nfs/dbraw/zinc/67/71/46/347677146.db2.gz GVEBQYCVMFOHTI-GHMZBOCLSA-N -1 3 264.325 2.921 20 5 CFBDHM C[C@@H]1C[C@@H](C)CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593730088 349315387 /nfs/dbraw/zinc/31/53/87/349315387.db2.gz COCWSWMHYMPPRJ-GHMZBOCLSA-N -1 3 292.335 2.771 20 5 CFBDHM C[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC000593733933 349316209 /nfs/dbraw/zinc/31/62/09/349316209.db2.gz FQQXJGSLKFAQLB-GHMZBOCLSA-N -1 3 292.335 2.913 20 5 CFBDHM C[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593735588 349317428 /nfs/dbraw/zinc/31/74/28/349317428.db2.gz QTKDOIYFUZTKID-NSHDSACASA-N -1 3 292.335 2.915 20 5 CFBDHM C[C@@H]1CC[C@H](C)N1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593744279 349319026 /nfs/dbraw/zinc/31/90/26/349319026.db2.gz OWWDVJLWQZNQRA-AOOOYVTPSA-N -1 3 278.308 2.666 20 5 CFBDHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cccc([N+](=O)[O-])c1 ZINC000600676701 350595955 /nfs/dbraw/zinc/59/59/55/350595955.db2.gz ZYFBFAUNKINXBV-PTEHBNRSSA-N -1 3 292.335 2.668 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000292015644 198135430 /nfs/dbraw/zinc/13/54/30/198135430.db2.gz AKCXSZQDGNNZML-NSHDSACASA-N -1 3 280.324 2.621 20 5 CFBDHM O=[N+]([O-])c1cnc([N-]c2ccc3ccoc3c2)nc1 ZINC000443483646 241064406 /nfs/dbraw/zinc/06/44/06/241064406.db2.gz BXPFEIKLSKBKSC-UHFFFAOYSA-N -1 3 256.221 2.875 20 5 CFBDHM COc1cc(C(=O)Nc2ccccc2[O-])ccc1[N+](=O)[O-] ZINC000101630814 375647101 /nfs/dbraw/zinc/64/71/01/375647101.db2.gz GCJRTCWJYHIQAE-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM C[C@@H]1CCCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000332240578 378739801 /nfs/dbraw/zinc/73/98/01/378739801.db2.gz URFDALISEHCPNP-LLVKDONJSA-N -1 3 264.325 2.922 20 5 CFBDHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn(CC(F)F)c2)n1 ZINC000359092759 381260609 /nfs/dbraw/zinc/26/06/09/381260609.db2.gz JFWDHOUYOWYORJ-UHFFFAOYSA-N -1 3 297.265 2.812 20 5 CFBDHM O=[N+]([O-])c1cc(F)c(NCc2ncccc2[O-])c(F)c1 ZINC000359895680 381665612 /nfs/dbraw/zinc/66/56/12/381665612.db2.gz FIQISZPFEBPPLA-UHFFFAOYSA-N -1 3 281.218 2.586 20 5 CFBDHM Cc1cccc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)c1[O-] ZINC000291125163 381675536 /nfs/dbraw/zinc/67/55/36/381675536.db2.gz VOQXMAKGADHLGL-UHFFFAOYSA-N -1 3 291.307 2.739 20 5 CFBDHM O=C([N-]c1cccc(F)c1F)c1ccc([N+](=O)[O-])cn1 ZINC000532391027 384023380 /nfs/dbraw/zinc/02/33/80/384023380.db2.gz MXDHHCIJAGHOGG-UHFFFAOYSA-N -1 3 279.202 2.520 20 5 CFBDHM CCn1nc(C)c([N-]c2ncc(C)cc2[N+](=O)[O-])c1C ZINC000266238861 384125505 /nfs/dbraw/zinc/12/55/05/384125505.db2.gz WOCYFLJAFDPRJU-UHFFFAOYSA-N -1 3 275.312 2.875 20 5 CFBDHM CSCCON=C([O-])Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000280716475 385126119 /nfs/dbraw/zinc/12/61/19/385126119.db2.gz CREHNJRAXTTZMD-UHFFFAOYSA-N -1 3 299.352 2.628 20 5 CFBDHM CSCCO[N-]C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000280716475 385126126 /nfs/dbraw/zinc/12/61/26/385126126.db2.gz CREHNJRAXTTZMD-UHFFFAOYSA-N -1 3 299.352 2.628 20 5 CFBDHM O=C([N-]c1ccc2ccccc2n1)c1ccc([N+](=O)[O-])o1 ZINC000198150247 413060402 /nfs/dbraw/zinc/06/04/02/413060402.db2.gz FNGQVTVNEZYJMX-UHFFFAOYSA-N -1 3 283.243 2.988 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492999919 394121602 /nfs/dbraw/zinc/12/16/02/394121602.db2.gz VSBFKAKPEGPJEE-ONRRBMGISA-N -1 3 296.298 2.841 20 5 CFBDHM Cc1cc(Cl)cnc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000362246486 394182685 /nfs/dbraw/zinc/18/26/85/394182685.db2.gz ZXOWNVNHTGRXQY-UHFFFAOYSA-N -1 3 281.655 2.797 20 5 CFBDHM C[C@H](C1CC1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000556799542 395015835 /nfs/dbraw/zinc/01/58/35/395015835.db2.gz QMFTYHOPTJHQBM-SECBINFHSA-N -1 3 250.298 2.531 20 5 CFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227832198 270258133 /nfs/dbraw/zinc/25/81/33/270258133.db2.gz PKLGDKDXBIIRBK-ABAIWWIYSA-N -1 3 292.335 2.843 20 5 CFBDHM CO[C@@](C)([C@H](C)NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000411972849 294107966 /nfs/dbraw/zinc/10/79/66/294107966.db2.gz QSKDMKQBDYDTLM-BONVTDFDSA-N -1 3 294.351 2.594 20 5 CFBDHM O=C(c1cccc([O-])c1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000182478161 304548949 /nfs/dbraw/zinc/54/89/49/304548949.db2.gz JTDBVUFNIAMSJF-UHFFFAOYSA-N -1 3 284.271 2.503 20 5 CFBDHM O=C(Nc1ccc(Cl)cc1[O-])c1ccc([N+](=O)[O-])o1 ZINC000179641097 323753149 /nfs/dbraw/zinc/75/31/49/323753149.db2.gz DDZBQXXRVABGEV-UHFFFAOYSA-N -1 3 282.639 2.799 20 5 CFBDHM O=C([O-])CC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000050925108 527599380 /nfs/dbraw/zinc/59/93/80/527599380.db2.gz JAOQPAGAOYDZBD-CYBMUJFWSA-N -1 3 292.335 2.814 20 5 CFBDHM CC(C)CCSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820081441 599089897 /nfs/dbraw/zinc/08/98/97/599089897.db2.gz GMCPCTVJZJKTLP-UHFFFAOYSA-N -1 3 293.352 2.913 20 5 CFBDHM CC(C)CCSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820081441 599089901 /nfs/dbraw/zinc/08/99/01/599089901.db2.gz GMCPCTVJZJKTLP-UHFFFAOYSA-N -1 3 293.352 2.913 20 5 CFBDHM CC(C)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820021131 599099164 /nfs/dbraw/zinc/09/91/64/599099164.db2.gz PPCRJYFTVSUKEA-MRVPVSSYSA-N -1 3 293.352 2.912 20 5 CFBDHM CC(C)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820021131 599099167 /nfs/dbraw/zinc/09/91/67/599099167.db2.gz PPCRJYFTVSUKEA-MRVPVSSYSA-N -1 3 293.352 2.912 20 5 CFBDHM CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC000093633527 601114245 /nfs/dbraw/zinc/11/42/45/601114245.db2.gz OQTGBGCGPUIMQT-UHFFFAOYSA-N -1 3 286.715 2.543 20 5 CFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C(=O)[O-])C1CC1 ZINC000833694684 605131239 /nfs/dbraw/zinc/13/12/39/605131239.db2.gz XVXGCCWNUYLLKO-LBPRGKRZSA-N -1 3 298.726 2.543 20 5 CFBDHM CCCN(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964257 618054725 /nfs/dbraw/zinc/05/47/25/618054725.db2.gz BWEJNFNONDWBGB-UHFFFAOYSA-N -1 3 286.715 2.545 20 5 CFBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCOCC1 ZINC000896786249 619815159 /nfs/dbraw/zinc/81/51/59/619815159.db2.gz YGUVMQCJNKUPJF-UHFFFAOYSA-N -1 3 295.339 2.560 20 5 CFBDHM O=c1ccnc(C=Cc2ccc(Cl)c([N+](=O)[O-])c2)[n-]1 ZINC000742220213 626481242 /nfs/dbraw/zinc/48/12/42/626481242.db2.gz LIIUJEGYVNTRLG-DUXPYHPUSA-N -1 3 277.667 2.914 20 5 CFBDHM Cc1conc1[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000772734584 627741025 /nfs/dbraw/zinc/74/10/25/627741025.db2.gz MWUDJQVVBSIMKF-UHFFFAOYSA-N -1 3 281.655 2.797 20 5 CFBDHM O=C([N-]OCC1CCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000856348299 635790336 /nfs/dbraw/zinc/79/03/36/635790336.db2.gz CVOJUEPPUJIGEC-UHFFFAOYSA-N -1 3 284.699 2.710 20 5 CFBDHM C[C@]1(C(=O)[O-])CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000863532072 637685969 /nfs/dbraw/zinc/68/59/69/637685969.db2.gz DHADNYJDNIYRCR-CYBMUJFWSA-N -1 3 298.726 2.687 20 5 CFBDHM C[C@@H]1CCCC[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667992 775548875 /nfs/dbraw/zinc/54/88/75/775548875.db2.gz XQHXQIIBIIQGOP-PSASIEDQSA-N -1 3 252.270 2.653 20 5 CFBDHM Cc1ccc([C@@H](C)Oc2nccc([O-])c2[N+](=O)[O-])cn1 ZINC001225666526 775548931 /nfs/dbraw/zinc/54/89/31/775548931.db2.gz KBAVFSLEUGWCSG-SECBINFHSA-N -1 3 275.264 2.539 20 5 CFBDHM C[C@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccccn1 ZINC001226333864 775782659 /nfs/dbraw/zinc/78/26/59/775782659.db2.gz OQEYTFPIVXMJJX-VIFPVBQESA-N -1 3 260.249 2.835 20 5 CFBDHM Cc1cn2c(n1)[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])CCC2 ZINC001226334485 775782972 /nfs/dbraw/zinc/78/29/72/775782972.db2.gz VRNNBUQNKRKWRB-LBPRGKRZSA-N -1 3 289.291 2.719 20 5 CFBDHM Cc1ccc([C@H](C)Oc2ncc([N+](=O)[O-])c3nc[n-]c32)cn1 ZINC001227691439 776258738 /nfs/dbraw/zinc/25/87/38/776258738.db2.gz OIMSOCSOIADSOJ-VIFPVBQESA-N -1 3 299.290 2.710 20 5 CFBDHM O=[N+]([O-])c1cnc(O[C@H]2CCc3ccccc32)c2[n-]cnc21 ZINC001227693492 776260560 /nfs/dbraw/zinc/26/05/60/776260560.db2.gz UXPGUKUHDINMSH-LBPRGKRZSA-N -1 3 296.286 2.932 20 5 CFBDHM COC1=CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227743742 776276006 /nfs/dbraw/zinc/27/60/06/776276006.db2.gz XEFUXDMLFXKZSL-LLVKDONJSA-N -1 3 289.291 2.933 20 5 CFBDHM COC1=CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227743742 776276013 /nfs/dbraw/zinc/27/60/13/776276013.db2.gz XEFUXDMLFXKZSL-LLVKDONJSA-N -1 3 289.291 2.933 20 5 CFBDHM CCC(=O)[C@H](CC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743912 776277194 /nfs/dbraw/zinc/27/71/94/776277194.db2.gz CBWFLILVVJRFMT-LBPRGKRZSA-N -1 3 277.280 2.608 20 5 CFBDHM CCC(=O)[C@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743912 776277199 /nfs/dbraw/zinc/27/71/99/776277199.db2.gz CBWFLILVVJRFMT-LBPRGKRZSA-N -1 3 277.280 2.608 20 5 CFBDHM Cc1cc2[n-]c(OC3CC=CC3)nc2cc1[N+](=O)[O-] ZINC001228675065 776563159 /nfs/dbraw/zinc/56/31/59/776563159.db2.gz NGWIJJWIPJLGGU-UHFFFAOYSA-N -1 3 259.265 2.877 20 5 CFBDHM Cc1cc2[n-]c(O[C@H]3CCCCC3=O)nc2cc1[N+](=O)[O-] ZINC001228676520 776563987 /nfs/dbraw/zinc/56/39/87/776563987.db2.gz IQKMBVHQFJSYGN-ZDUSSCGKSA-N -1 3 289.291 2.670 20 5 CFBDHM Cc1[n-]c(=O)cc(OC2CCC(C)CC2)c1[N+](=O)[O-] ZINC001228685768 776567546 /nfs/dbraw/zinc/56/75/46/776567546.db2.gz KGMTUFJKKMOESU-UHFFFAOYSA-N -1 3 266.297 2.961 20 5 CFBDHM Cc1[n-]c(=O)cc(OC2CCCCC2)c1[N+](=O)[O-] ZINC001228686620 776567803 /nfs/dbraw/zinc/56/78/03/776567803.db2.gz PLZPUWIOUIBSLC-UHFFFAOYSA-N -1 3 252.270 2.715 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2nccs2)c1[N+](=O)[O-] ZINC001228689891 776569267 /nfs/dbraw/zinc/56/92/67/776569267.db2.gz WVOWXWLHBPATKI-SSDOTTSWSA-N -1 3 281.293 2.600 20 5 CFBDHM CC[C@H](C)[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689571 776569522 /nfs/dbraw/zinc/56/95/22/776569522.db2.gz UHXISSDIDVDWQH-IONNQARKSA-N -1 3 254.286 2.817 20 5 CFBDHM O=c1[n-]ccc(NCC2(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596066209 349785144 /nfs/dbraw/zinc/78/51/44/349785144.db2.gz ZYZOECMYQZGWJN-UHFFFAOYSA-N -1 3 285.303 2.839 20 5 CFBDHM C[C@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596073310 349787029 /nfs/dbraw/zinc/78/70/29/349787029.db2.gz JSFVIMNMDRVMAA-DTWKUNHWSA-N -1 3 251.286 2.686 20 5 CFBDHM C[C@@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000596127314 349801284 /nfs/dbraw/zinc/80/12/84/349801284.db2.gz YOOJFLXVLHEQIG-BBBLOLIVSA-N -1 3 265.313 2.932 20 5 CFBDHM C[C@@H]1CC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000596134022 349802983 /nfs/dbraw/zinc/80/29/83/349802983.db2.gz CDVZWOGTVXGEEU-IUCAKERBSA-N -1 3 265.313 2.932 20 5 CFBDHM CC(C)(C)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596134514 349803949 /nfs/dbraw/zinc/80/39/49/349803949.db2.gz KSYXYSNPPPXTLJ-UHFFFAOYSA-N -1 3 253.302 2.934 20 5 CFBDHM O=c1[n-]ccc(N[C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000596166964 349815217 /nfs/dbraw/zinc/81/52/17/349815217.db2.gz ZPTTUYDUXFXHPX-ZETCQYMHSA-N -1 3 273.239 2.685 20 5 CFBDHM C[C@@H]1CC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596217705 349830363 /nfs/dbraw/zinc/83/03/63/349830363.db2.gz OTJUASWVMZHRNR-RKDXNWHRSA-N -1 3 251.286 2.544 20 5 CFBDHM CC1(C)CC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596222858 349832090 /nfs/dbraw/zinc/83/20/90/349832090.db2.gz NXZFAGLQACFLAN-UHFFFAOYSA-N -1 3 251.286 2.544 20 5 CFBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(F)(F)F ZINC000596221785 349832152 /nfs/dbraw/zinc/83/21/52/349832152.db2.gz OVVRMPGDAOCZFQ-UHFFFAOYSA-N -1 3 279.218 2.696 20 5 CFBDHM Cc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c([O-])c1 ZINC000172421905 232269578 /nfs/dbraw/zinc/26/95/78/232269578.db2.gz BCHXZCMOJNONRC-UHFFFAOYSA-N -1 3 298.298 2.812 20 5 CFBDHM CC[C@@H](C)CN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000091795990 347600021 /nfs/dbraw/zinc/60/00/21/347600021.db2.gz ZZNGNJAPRJHNBY-SNVBAGLBSA-N -1 3 252.314 2.778 20 5 CFBDHM Cc1cc(=O)[n-]c(C=Cc2cccc([N+](=O)[O-])c2)n1 ZINC000167628359 348046342 /nfs/dbraw/zinc/04/63/42/348046342.db2.gz SWGKOQIDSASFLM-WAYWQWQTSA-N -1 3 257.249 2.569 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](C2CCC2)C1 ZINC000591062926 348982904 /nfs/dbraw/zinc/98/29/04/348982904.db2.gz BQPBMGITGHRPBF-LBPRGKRZSA-N -1 3 276.336 2.922 20 5 CFBDHM CCCN(Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000594020874 349355592 /nfs/dbraw/zinc/35/55/92/349355592.db2.gz KMQFCDIEOICSFS-UHFFFAOYSA-N -1 3 252.314 2.921 20 5 CFBDHM C[C@@H]1[C@@H](C)CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593733940 349316144 /nfs/dbraw/zinc/31/61/44/349316144.db2.gz FQQXJGSLKFAQLB-WDEREUQCSA-N -1 3 292.335 2.913 20 5 CFBDHM CCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593744727 349318650 /nfs/dbraw/zinc/31/86/50/349318650.db2.gz UFDGBZVOTIZEQL-UHFFFAOYSA-N -1 3 278.308 2.667 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CCCC23CC3)c1[N+](=O)[O-] ZINC000599199007 350395111 /nfs/dbraw/zinc/39/51/11/350395111.db2.gz XVBYUQPGTNHCSC-VIFPVBQESA-N -1 3 263.297 2.688 20 5 CFBDHM Cc1ccnc([N-]c2cnn(-c3ccncc3)c2)c1[N+](=O)[O-] ZINC000609670276 351515243 /nfs/dbraw/zinc/51/52/43/351515243.db2.gz DCPULHARBNPIDM-UHFFFAOYSA-N -1 3 296.290 2.623 20 5 CFBDHM CC[C@H](C)n1nc([N-]c2cccnc2[N+](=O)[O-])cc1C ZINC000611415507 351687360 /nfs/dbraw/zinc/68/73/60/351687360.db2.gz ZBGQPJFUEWZWBQ-VIFPVBQESA-N -1 3 275.312 2.631 20 5 CFBDHM CC[C@@H](C)CON=C([O-])Nc1ccc([N+](=O)[O-])cc1F ZINC000291983414 198124572 /nfs/dbraw/zinc/12/45/72/198124572.db2.gz ZDYPOQCDOBQBEG-MRVPVSSYSA-N -1 3 285.275 2.833 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000291983414 198124574 /nfs/dbraw/zinc/12/45/74/198124574.db2.gz ZDYPOQCDOBQBEG-MRVPVSSYSA-N -1 3 285.275 2.833 20 5 CFBDHM Cc1c(NC(=O)[N-]OCC(C)C)cccc1[N+](=O)[O-] ZINC000158260150 188366698 /nfs/dbraw/zinc/36/66/98/188366698.db2.gz BECHUVFVJAYKKJ-UHFFFAOYSA-N -1 3 267.285 2.612 20 5 CFBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)[N-]OCC1CC1 ZINC000297683727 200260815 /nfs/dbraw/zinc/26/08/15/200260815.db2.gz GJONWVKQOZFQEA-UHFFFAOYSA-N -1 3 279.296 2.675 20 5 CFBDHM C[C@H]1CC[C@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596189846 540704772 /nfs/dbraw/zinc/70/47/72/540704772.db2.gz LVBBUWGGFBUCKE-HZMBPMFUSA-N -1 3 277.324 2.712 20 5 CFBDHM CCCCN(CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000505903109 247156220 /nfs/dbraw/zinc/15/62/20/247156220.db2.gz NGFHMRVRTBGGTO-UHFFFAOYSA-N -1 3 252.314 2.922 20 5 CFBDHM COCc1csc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000115244417 376117668 /nfs/dbraw/zinc/11/76/68/376117668.db2.gz KFEJVQBHZFGMQX-UHFFFAOYSA-N -1 3 299.333 2.512 20 5 CFBDHM CCCn1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000153852641 378517217 /nfs/dbraw/zinc/51/72/17/378517217.db2.gz KKZQMBJETDIEIJ-UHFFFAOYSA-N -1 3 281.703 2.993 20 5 CFBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000330412232 378548008 /nfs/dbraw/zinc/54/80/08/378548008.db2.gz AYZRMHZLVPIAPQ-UHFFFAOYSA-N -1 3 250.298 2.675 20 5 CFBDHM CC(C)[C@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330427402 378551681 /nfs/dbraw/zinc/55/16/81/378551681.db2.gz KJQFFXYFHYHAKQ-JTQLQIEISA-N -1 3 252.314 2.777 20 5 CFBDHM Cc1cccc([O-])c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000179551331 380556017 /nfs/dbraw/zinc/55/60/17/380556017.db2.gz JGNRSJRRFCZBTI-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM CCc1ccc([N+](=O)[O-])cc1NC([O-])=NOCCSC ZINC000289641566 381080607 /nfs/dbraw/zinc/08/06/07/381080607.db2.gz CSWXVVFZGJYHKM-UHFFFAOYSA-N -1 3 299.352 2.573 20 5 CFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCCSC ZINC000289641566 381080616 /nfs/dbraw/zinc/08/06/16/381080616.db2.gz CSWXVVFZGJYHKM-UHFFFAOYSA-N -1 3 299.352 2.573 20 5 CFBDHM C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ncccc1[O-] ZINC000355305489 381739581 /nfs/dbraw/zinc/73/95/81/381739581.db2.gz AEIYXHGMOJFACR-XYOKQWHBSA-N -1 3 299.330 2.889 20 5 CFBDHM CC[C@@]1(C)CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339016519 383122074 /nfs/dbraw/zinc/12/20/74/383122074.db2.gz BRNBYVRAKSEZDD-AWEZNQCLSA-N -1 3 264.325 2.922 20 5 CFBDHM CC(C)C[C@H](C(=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000568772163 383436192 /nfs/dbraw/zinc/43/61/92/383436192.db2.gz OAOQHHMNHWHHLP-CYBMUJFWSA-N -1 3 280.324 2.526 20 5 CFBDHM Cc1nc(C)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000434034945 383766237 /nfs/dbraw/zinc/76/62/37/383766237.db2.gz FZNRRDGYFUBVEV-UHFFFAOYSA-N -1 3 267.266 2.513 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CSc1n[nH]c(C2CC2)n1 ZINC000436472738 383820989 /nfs/dbraw/zinc/82/09/89/383820989.db2.gz ADYIEEYJEAKUSN-UHFFFAOYSA-N -1 3 292.320 2.588 20 5 CFBDHM COc1cc(F)c(F)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000355422949 155006943 /nfs/dbraw/zinc/00/69/43/155006943.db2.gz CWPDAZSKHLXJBN-UHFFFAOYSA-N -1 3 298.201 2.727 20 5 CFBDHM O=[N+]([O-])c1cc(F)c([N-]c2cc3n(n2)CCCC3)c(F)c1 ZINC000376205977 157334089 /nfs/dbraw/zinc/33/40/89/157334089.db2.gz FKHKCPUWCKJLAB-UHFFFAOYSA-N -1 3 294.261 2.571 20 5 CFBDHM CC(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])s2)nc1 ZINC000131580270 280720138 /nfs/dbraw/zinc/72/01/38/280720138.db2.gz BRBPAYYTXPUWJH-UHFFFAOYSA-N -1 3 291.288 2.506 20 5 CFBDHM O=C(Nc1cccc([O-])c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000165551807 527362139 /nfs/dbraw/zinc/36/21/39/527362139.db2.gz UUPJCVAUUJRPJM-UHFFFAOYSA-N -1 3 276.223 2.692 20 5 CFBDHM Cc1ccc(C=Cc2nccc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000742220162 574319260 /nfs/dbraw/zinc/31/92/60/574319260.db2.gz JSAIPHIXXKHUFU-SNAWJCMRSA-N -1 3 257.249 2.569 20 5 CFBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1[O-] ZINC000750148709 574327808 /nfs/dbraw/zinc/32/78/08/574327808.db2.gz ZZZDSBWUVNRCQM-UHFFFAOYSA-N -1 3 291.234 2.797 20 5 CFBDHM CCc1coc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)n1 ZINC000752982744 574397173 /nfs/dbraw/zinc/39/71/73/574397173.db2.gz YEGPJHVHHRMQDR-UHFFFAOYSA-N -1 3 297.217 2.676 20 5 CFBDHM CCN(CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000827150627 604955855 /nfs/dbraw/zinc/95/58/55/604955855.db2.gz KRTFEOQHPAYFCD-NSHDSACASA-N -1 3 295.339 2.554 20 5 CFBDHM O=C(Nc1ccc([O-])cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000070333200 618216197 /nfs/dbraw/zinc/21/61/97/618216197.db2.gz MVAUKGPUAGUNQE-UHFFFAOYSA-N -1 3 276.223 2.692 20 5 CFBDHM CC[C@@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633519 619041622 /nfs/dbraw/zinc/04/16/22/619041622.db2.gz MMEFNNCNDAZRIB-JTQLQIEISA-N -1 3 286.715 2.543 20 5 CFBDHM O=c1[n-]ccc(NCC[C@@H]2CCC3(CCC3)O2)c1[N+](=O)[O-] ZINC000896552551 619761116 /nfs/dbraw/zinc/76/11/16/619761116.db2.gz DICALRCXJXIJHR-JTQLQIEISA-N -1 3 293.323 2.599 20 5 CFBDHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)[N-]OCC1CC1 ZINC000908381728 622223924 /nfs/dbraw/zinc/22/39/24/622223924.db2.gz CGIOMKTWCPOVQI-UHFFFAOYSA-N -1 3 298.726 2.639 20 5 CFBDHM COc1cccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1F ZINC000770064885 627500292 /nfs/dbraw/zinc/50/02/92/627500292.db2.gz DZRAPHGCBKFGAD-UHFFFAOYSA-N -1 3 280.211 2.588 20 5 CFBDHM O=C(OCc1ccc([N+](=O)[O-])c(F)c1)c1ccc([O-])cc1 ZINC000782005592 628596662 /nfs/dbraw/zinc/59/66/62/628596662.db2.gz ATXKSBPKPLAXTO-UHFFFAOYSA-N -1 3 291.234 2.797 20 5 CFBDHM CC(C)(C)CC(=O)[N-]OCc1ccc([N+](=O)[O-])cc1 ZINC000842061521 631519341 /nfs/dbraw/zinc/51/93/41/631519341.db2.gz YTMNMBDRCFCMIS-UHFFFAOYSA-N -1 3 266.297 2.579 20 5 CFBDHM O=c1[n-]ccc(N2CCCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000853513654 635023571 /nfs/dbraw/zinc/02/35/71/635023571.db2.gz GZFPMXLVTKDGNS-UHFFFAOYSA-N -1 3 277.324 2.856 20 5 CFBDHM O=C1[N-]C(=O)C(=Cc2ccc([N+](=O)[O-])cc2Cl)S1 ZINC000874929251 642554823 /nfs/dbraw/zinc/55/48/23/642554823.db2.gz XHODFFNIHSECIG-FPYGCLRLSA-N -1 3 284.680 2.572 20 5 CFBDHM Cc1cnc(F)c([C@@H](C)Oc2nccc([O-])c2[N+](=O)[O-])c1 ZINC001225664130 775547806 /nfs/dbraw/zinc/54/78/06/775547806.db2.gz KBPQFTQYSZYUML-MRVPVSSYSA-N -1 3 293.254 2.678 20 5 CFBDHM C[C@H]1CCC[C@H](C)C1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225668180 775550595 /nfs/dbraw/zinc/55/05/95/775550595.db2.gz ZPVRVTIBRRPHLY-IUCAKERBSA-N -1 3 266.297 2.899 20 5 CFBDHM CC1(C)C(Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000695552613 775873374 /nfs/dbraw/zinc/87/33/74/775873374.db2.gz IADBVFZYUYDCFM-UHFFFAOYSA-N -1 3 251.286 2.542 20 5 CFBDHM CC1CCC(Oc2ncc([N+](=O)[O-])c3nc[n-]c32)CC1 ZINC001227692055 776259529 /nfs/dbraw/zinc/25/95/29/776259529.db2.gz SOYWGMOBPFVUGD-UHFFFAOYSA-N -1 3 276.296 2.824 20 5 CFBDHM CCC[C@@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693294 776259613 /nfs/dbraw/zinc/25/96/13/776259613.db2.gz RRDQCFXLDCGVAX-MRVPVSSYSA-N -1 3 264.285 2.824 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC001228686550 776567256 /nfs/dbraw/zinc/56/72/56/776567256.db2.gz OHNYTCUOOIPATI-ILDUYXDCSA-N -1 3 278.308 2.961 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H]2CCCC[C@H]2F)c1[N+](=O)[O-] ZINC001228689703 776569734 /nfs/dbraw/zinc/56/97/34/776569734.db2.gz WUDQDZJQDVXWBU-BDAKNGLRSA-N -1 3 270.260 2.663 20 5 CFBDHM C[C@H]1CC(Oc2nccc([O-])c2[N+](=O)[O-])C[C@H](C)C1 ZINC001225666037 777155051 /nfs/dbraw/zinc/15/50/51/777155051.db2.gz FROJJBMAYMFZJG-RKDXNWHRSA-N -1 3 266.297 2.899 20 5 CFBDHM O=[N+]([O-])c1cc2[n-]c(OC3CCOCC3)nc2cc1Cl ZINC001233500277 777970710 /nfs/dbraw/zinc/97/07/10/777970710.db2.gz QUXCCAJSPGBIHV-UHFFFAOYSA-N -1 3 297.698 2.682 20 5 CFBDHM CO[C@@H](C)CCOc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233500133 779045416 /nfs/dbraw/zinc/04/54/16/779045416.db2.gz QIDTZSGOHCETKN-ZETCQYMHSA-N -1 3 299.714 2.928 20 5 CFBDHM CO[C@@H](C)CCOc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233500133 779045420 /nfs/dbraw/zinc/04/54/20/779045420.db2.gz QIDTZSGOHCETKN-ZETCQYMHSA-N -1 3 299.714 2.928 20 5 CFBDHM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc([O-])c1 ZINC000096953269 185140668 /nfs/dbraw/zinc/14/06/68/185140668.db2.gz MAELSAFCOUMWHV-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000595907623 349766315 /nfs/dbraw/zinc/76/63/15/349766315.db2.gz CFWLHHPLUMFAPZ-NSHDSACASA-N -1 3 264.325 2.778 20 5 CFBDHM Cc1ccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c(C)c1 ZINC000596090351 349792062 /nfs/dbraw/zinc/79/20/62/349792062.db2.gz PSSWLVAIUVJIQO-UHFFFAOYSA-N -1 3 287.319 2.967 20 5 CFBDHM C[C@@H](CN(C)c1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596106614 349795630 /nfs/dbraw/zinc/79/56/30/349795630.db2.gz URDYXNPGBUDYQO-NSHDSACASA-N -1 3 287.319 2.935 20 5 CFBDHM C[C@@H]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H](C)C1 ZINC000596127317 349801155 /nfs/dbraw/zinc/80/11/55/349801155.db2.gz YOOJFLXVLHEQIG-OPRDCNLKSA-N -1 3 265.313 2.932 20 5 CFBDHM Cc1cc(C)cc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596140062 349805954 /nfs/dbraw/zinc/80/59/54/349805954.db2.gz AWYQTGVQSYSVQB-UHFFFAOYSA-N -1 3 287.319 2.967 20 5 CFBDHM CC(C)[C@H]1OCCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596152954 349810630 /nfs/dbraw/zinc/81/06/30/349810630.db2.gz UYXWSIHXHAZDGG-ZWNOBZJWSA-N -1 3 295.339 2.559 20 5 CFBDHM O=c1[n-]ccc(N[C@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC000596165017 349814684 /nfs/dbraw/zinc/81/46/84/349814684.db2.gz IRNNIRKPOXNVQE-AMUVOQDHSA-N -1 3 263.297 2.686 20 5 CFBDHM CC[C@H](C)n1ncc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC000596208114 349827195 /nfs/dbraw/zinc/82/71/95/349827195.db2.gz WDXOVEPZKDSLTA-QMMMGPOBSA-N -1 3 291.311 2.915 20 5 CFBDHM CC(C)[C@@H]1C[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596255863 349842738 /nfs/dbraw/zinc/84/27/38/349842738.db2.gz ZUVNIMWIEABTBL-JQWIXIFHSA-N -1 3 295.339 2.559 20 5 CFBDHM Cc1ccccc1CCN(C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596259371 349844621 /nfs/dbraw/zinc/84/46/21/349844621.db2.gz REYKBMXTQCKMRF-UHFFFAOYSA-N -1 3 287.319 2.683 20 5 CFBDHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCc2ccccc21 ZINC000596296122 349855776 /nfs/dbraw/zinc/85/57/76/349855776.db2.gz RLWGHKBLOMUWQP-LLVKDONJSA-N -1 3 299.330 2.862 20 5 CFBDHM C[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000092586117 347633808 /nfs/dbraw/zinc/63/38/08/347633808.db2.gz CUDXDUFSIBAROS-NSHDSACASA-N -1 3 264.325 2.922 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000093441795 347674202 /nfs/dbraw/zinc/67/42/02/347674202.db2.gz DGVVRJDKVWBOBW-RYUDHWBXSA-N -1 3 276.336 2.922 20 5 CFBDHM C[C@@H](N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1(C)CC1 ZINC000593743905 349318682 /nfs/dbraw/zinc/31/86/82/349318682.db2.gz NKNIDTOEPXACJZ-SNVBAGLBSA-N -1 3 292.335 2.913 20 5 CFBDHM C[C@H]1CCCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593745004 349318736 /nfs/dbraw/zinc/31/87/36/349318736.db2.gz XUPUGKAFFXKEBU-NSHDSACASA-N -1 3 292.335 2.915 20 5 CFBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC([O-])=NOC(C)C ZINC000297765676 200276787 /nfs/dbraw/zinc/27/67/87/200276787.db2.gz LEJJEFAEOZXYRN-UHFFFAOYSA-N -1 3 267.285 2.673 20 5 CFBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)[N-]OC(C)C ZINC000297765676 200276789 /nfs/dbraw/zinc/27/67/89/200276789.db2.gz LEJJEFAEOZXYRN-UHFFFAOYSA-N -1 3 267.285 2.673 20 5 CFBDHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn(CC(F)F)c2)n1 ZINC000178228070 189099397 /nfs/dbraw/zinc/09/93/97/189099397.db2.gz RWNXHZCAKSXVGJ-UHFFFAOYSA-N -1 3 283.238 2.503 20 5 CFBDHM Cc1c(CN2CCC[C@](C)(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000062875832 373770616 /nfs/dbraw/zinc/77/06/16/373770616.db2.gz MNANSGOIDNIXQB-HNNXBMFYSA-N -1 3 292.335 2.590 20 5 CFBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]OC1CCCCC1 ZINC000492717227 246368763 /nfs/dbraw/zinc/36/87/63/246368763.db2.gz HCUWUOKTFFFUIE-KHPPLWFESA-N -1 3 290.319 2.989 20 5 CFBDHM CCCN(CC(=O)[O-])Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633505 375277300 /nfs/dbraw/zinc/27/73/00/375277300.db2.gz SKBNWPXZWLEVKV-UHFFFAOYSA-N -1 3 286.715 2.545 20 5 CFBDHM CC(C)CO[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000135337979 378120184 /nfs/dbraw/zinc/12/01/84/378120184.db2.gz NYNCHNRESGMVEH-UHFFFAOYSA-N -1 3 272.688 2.566 20 5 CFBDHM O=C([N-]OC1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000135144070 378089561 /nfs/dbraw/zinc/08/95/61/378089561.db2.gz HGKNTWITVGJSDI-UHFFFAOYSA-N -1 3 284.699 2.852 20 5 CFBDHM CC1(C)CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330443146 378556290 /nfs/dbraw/zinc/55/62/90/378556290.db2.gz VZFYTIMRKNETFZ-UHFFFAOYSA-N -1 3 264.325 2.922 20 5 CFBDHM C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000330452986 378559805 /nfs/dbraw/zinc/55/98/05/378559805.db2.gz LEZNYYTZHDZJGR-UWVGGRQHSA-N -1 3 250.298 2.531 20 5 CFBDHM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000418120709 382127484 /nfs/dbraw/zinc/12/74/84/382127484.db2.gz CNXKTTBHEFBQNG-VWYCJHECSA-N -1 3 264.325 2.777 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000293681515 382231913 /nfs/dbraw/zinc/23/19/13/382231913.db2.gz JIYLKFJPGVUAAT-QMMMGPOBSA-N -1 3 286.715 2.956 20 5 CFBDHM O=C([N-]OC1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000223639258 382806383 /nfs/dbraw/zinc/80/63/83/382806383.db2.gz JXHXSFVWIQSQRU-UHFFFAOYSA-N -1 3 284.699 2.852 20 5 CFBDHM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000339060002 383135565 /nfs/dbraw/zinc/13/55/65/383135565.db2.gz LPKMGJAQMIWKDS-GHMZBOCLSA-N -1 3 264.325 2.778 20 5 CFBDHM C[C@@H]1CC[C@@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339123468 383158312 /nfs/dbraw/zinc/15/83/12/383158312.db2.gz FYGHUAIBWMCBQO-ZYHUDNBSSA-N -1 3 264.325 2.921 20 5 CFBDHM Cc1ccc(CN2CCC[C@@H](C(=O)[O-])[C@H]2C)cc1[N+](=O)[O-] ZINC000263017597 383649966 /nfs/dbraw/zinc/64/99/66/383649966.db2.gz DISSYQLHILYXSK-DGCLKSJQSA-N -1 3 292.335 2.588 20 5 CFBDHM CO[C@@]1(C)C[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000344730713 393903248 /nfs/dbraw/zinc/90/32/48/393903248.db2.gz YPKPSWHCUPZLCX-ZFWWWQNUSA-N -1 3 294.351 2.594 20 5 CFBDHM Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000134794764 394204498 /nfs/dbraw/zinc/20/44/98/394204498.db2.gz FXZKGWYOBJOKIO-UHFFFAOYSA-N -1 3 286.287 2.790 20 5 CFBDHM Cc1ccc(-c2nc3ccc(O)cc3c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000351864408 163206278 /nfs/dbraw/zinc/20/62/78/163206278.db2.gz XRDXPRLDZNUDQX-UHFFFAOYSA-N -1 3 297.270 2.925 20 5 CFBDHM O=C([N-]c1nc(C2CC2)cs1)c1ccc([N+](=O)[O-])o1 ZINC000045527853 175381573 /nfs/dbraw/zinc/38/15/73/175381573.db2.gz LOVYSPBVAOLFCK-UHFFFAOYSA-N -1 3 279.277 2.774 20 5 CFBDHM CC[C@@H]1[C@@H](C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330448862 287347632 /nfs/dbraw/zinc/34/76/32/287347632.db2.gz HHICJFKGFDRJTH-GXFFZTMASA-N -1 3 264.325 2.921 20 5 CFBDHM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000330448088 289981228 /nfs/dbraw/zinc/98/12/28/289981228.db2.gz GTTPYBZRGNWJGH-JTQLQIEISA-N -1 3 264.325 2.969 20 5 CFBDHM CCc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(C)no1 ZINC000362345132 524057417 /nfs/dbraw/zinc/05/74/17/524057417.db2.gz LECWIMBAHWASJZ-UHFFFAOYSA-N -1 3 275.264 2.706 20 5 CFBDHM COc1ccc(NC(=O)c2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000084831082 524644095 /nfs/dbraw/zinc/64/40/95/524644095.db2.gz OTORZKJWWHLHCJ-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM CC1(C)C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000897063671 619923727 /nfs/dbraw/zinc/92/37/27/619923727.db2.gz PBMLQPRKAKHTDU-MRVPVSSYSA-N -1 3 283.353 2.782 20 5 CFBDHM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C(C)C ZINC000899351513 620550726 /nfs/dbraw/zinc/55/07/26/620550726.db2.gz MNGZXMZDYAVVMQ-GFCCVEGCSA-N -1 3 279.271 2.729 20 5 CFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ccon2)c1 ZINC000179529674 624966287 /nfs/dbraw/zinc/96/62/87/624966287.db2.gz IQERZQVJLQRYQO-UHFFFAOYSA-N -1 3 279.277 2.557 20 5 CFBDHM O=C(Nc1cccc([O-])c1F)c1cc(F)ccc1[N+](=O)[O-] ZINC000762319289 626910260 /nfs/dbraw/zinc/91/02/60/626910260.db2.gz WHUUHHYTJLSXIG-UHFFFAOYSA-N -1 3 294.213 2.831 20 5 CFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)[N-]OC1CCCCC1 ZINC000777950585 628267204 /nfs/dbraw/zinc/26/72/04/628267204.db2.gz UBWOYUFFYAIZIF-UHFFFAOYSA-N -1 3 278.308 2.518 20 5 CFBDHM O=[N+]([O-])c1ccc(CNCc2ncccc2[O-])cc1Cl ZINC000793255412 629515432 /nfs/dbraw/zinc/51/54/32/629515432.db2.gz IEIOXQMQDKACBY-UHFFFAOYSA-N -1 3 293.710 2.639 20 5 CFBDHM CCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c(C)o1 ZINC000808012589 630941608 /nfs/dbraw/zinc/94/16/08/630941608.db2.gz RSKJUNURGVJDTC-UHFFFAOYSA-N -1 3 293.254 2.845 20 5 CFBDHM C[C@@H](COC(=O)c1cc2cc(Cl)sc2[n-]1)[N+](=O)[O-] ZINC000813104816 631839864 /nfs/dbraw/zinc/83/98/64/631839864.db2.gz RXZJRNAHKRXGQI-YFKPBYRVSA-N -1 3 288.712 2.705 20 5 CFBDHM C[C@@]1(C(=O)[O-])CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000863532073 637686448 /nfs/dbraw/zinc/68/64/48/637686448.db2.gz DHADNYJDNIYRCR-ZDUSSCGKSA-N -1 3 298.726 2.687 20 5 CFBDHM CC(C)CC[C@@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225665456 775547163 /nfs/dbraw/zinc/54/71/63/775547163.db2.gz AEHLMBGLCUJJTI-SECBINFHSA-N -1 3 254.286 2.899 20 5 CFBDHM C[C@@H]1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225664524 775547192 /nfs/dbraw/zinc/54/71/92/775547192.db2.gz QBGUUNIMZVSDEX-BDAKNGLRSA-N -1 3 252.270 2.653 20 5 CFBDHM COc1cccc([C@@H](C)Oc2nccc([O-])c2[N+](=O)[O-])c1 ZINC001225668196 775549999 /nfs/dbraw/zinc/54/99/99/775549999.db2.gz ZVEAHKUMTHERNJ-SECBINFHSA-N -1 3 290.275 2.844 20 5 CFBDHM O=[N+]([O-])c1cccc([O-])c1O[C@@H]1CCc2cccnc21 ZINC001226334343 775782597 /nfs/dbraw/zinc/78/25/97/775782597.db2.gz SZGYVNACPAYSIP-GFCCVEGCSA-N -1 3 272.260 2.762 20 5 CFBDHM O=c1[n-]ccc(NC[C@@]23C[C@@H]2CCCC3)c1[N+](=O)[O-] ZINC000695458371 775842700 /nfs/dbraw/zinc/84/27/00/775842700.db2.gz NOZIEONJMQPROK-TVQRCGJNSA-N -1 3 263.297 2.688 20 5 CFBDHM CC1(C)[C@@H]2C[C@@H](Oc3ncc([N+](=O)[O-])c4nc[n-]c43)C[C@@H]21 ZINC001227691521 776259057 /nfs/dbraw/zinc/25/90/57/776259057.db2.gz PCBYKGXYZLZUJN-PSVAKVPMSA-N -1 3 288.307 2.680 20 5 CFBDHM CC1(C)CC[C@@H](COc2nc3ccc([N+](=O)[O-])cc3[n-]2)O1 ZINC001227740865 776275890 /nfs/dbraw/zinc/27/58/90/776275890.db2.gz AXEYZXIJHIBUCI-JTQLQIEISA-N -1 3 291.307 2.808 20 5 CFBDHM CC1(C)CC[C@@H](COc2nc3cc([N+](=O)[O-])ccc3[n-]2)O1 ZINC001227740865 776275897 /nfs/dbraw/zinc/27/58/97/776275897.db2.gz AXEYZXIJHIBUCI-JTQLQIEISA-N -1 3 291.307 2.808 20 5 CFBDHM O=[N+]([O-])c1ccc2nc(OC3CCSCC3)[n-]c2c1 ZINC001227746087 776277279 /nfs/dbraw/zinc/27/72/79/776277279.db2.gz QBKAZNMYIQGDNI-UHFFFAOYSA-N -1 3 279.321 2.746 20 5 CFBDHM O=[N+]([O-])c1ccc2[n-]c(OC3CCSCC3)nc2c1 ZINC001227746087 776277281 /nfs/dbraw/zinc/27/72/81/776277281.db2.gz QBKAZNMYIQGDNI-UHFFFAOYSA-N -1 3 279.321 2.746 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H]2CC[C@H](C)CC2)c1[N+](=O)[O-] ZINC001228685765 776568201 /nfs/dbraw/zinc/56/82/01/776568201.db2.gz KGMTUFJKKMOESU-CZMCAQCFSA-N -1 3 266.297 2.961 20 5 CFBDHM CC[C@H](C)[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689566 776569472 /nfs/dbraw/zinc/56/94/72/776569472.db2.gz UHXISSDIDVDWQH-CBAPKCEASA-N -1 3 254.286 2.817 20 5 CFBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccnc1Cl ZINC001225667655 777157468 /nfs/dbraw/zinc/15/74/68/777157468.db2.gz VMUSVESLBWBOJP-ZETCQYMHSA-N -1 3 295.682 2.884 20 5 CFBDHM CC[C@H](COc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)OC ZINC001233505898 777974028 /nfs/dbraw/zinc/97/40/28/777974028.db2.gz JOQFOHXEWBKEAL-SSDOTTSWSA-N -1 3 299.714 2.928 20 5 CFBDHM CC[C@H](COc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)OC ZINC001233505898 777974034 /nfs/dbraw/zinc/97/40/34/777974034.db2.gz JOQFOHXEWBKEAL-SSDOTTSWSA-N -1 3 299.714 2.928 20 5 CFBDHM C[C@@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1C ZINC000596056567 349783908 /nfs/dbraw/zinc/78/39/08/349783908.db2.gz YMVLSMLPVPZRSW-KXUCPTDWSA-N -1 3 265.313 2.932 20 5 CFBDHM CN(CCCc1ccccc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596077325 349788268 /nfs/dbraw/zinc/78/82/68/349788268.db2.gz TWRMCAMJXMZJQH-UHFFFAOYSA-N -1 3 287.319 2.764 20 5 CFBDHM CCC1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596106698 349795672 /nfs/dbraw/zinc/79/56/72/349795672.db2.gz UQIRZYJEVNBFTA-UHFFFAOYSA-N -1 3 265.313 2.712 20 5 CFBDHM CC[C@H](C)C[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596138971 349805282 /nfs/dbraw/zinc/80/52/82/349805282.db2.gz PTASEGDFUUSFHW-DTWKUNHWSA-N -1 3 253.302 2.932 20 5 CFBDHM O=c1[n-]ccc(NCC(C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000596142735 349806644 /nfs/dbraw/zinc/80/66/44/349806644.db2.gz TWZFBRDOSWMRSU-UHFFFAOYSA-N -1 3 263.297 2.544 20 5 CFBDHM CCO[C@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC000596146687 349808253 /nfs/dbraw/zinc/80/82/53/349808253.db2.gz HFDHCNZTGDVVLA-LLVKDONJSA-N -1 3 283.328 2.559 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2[C@@H]3c4ccccc4C[C@H]23)c1[N+](=O)[O-] ZINC000596166127 349814785 /nfs/dbraw/zinc/81/47/85/349814785.db2.gz QBBRSLWTOFUHSM-YRGRVCCFSA-N -1 3 297.314 2.693 20 5 CFBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000596162552 349813947 /nfs/dbraw/zinc/81/39/47/349813947.db2.gz MQVXUTYCUGPAQR-NSHDSACASA-N -1 3 295.339 2.703 20 5 CFBDHM C[C@]1(c2ccccc2)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596166371 349815614 /nfs/dbraw/zinc/81/56/14/349815614.db2.gz XMWFCCIPJUIAKG-INIZCTEOSA-N -1 3 299.330 2.863 20 5 CFBDHM CC[C@@H](CC(F)(F)F)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596195109 349824015 /nfs/dbraw/zinc/82/40/15/349824015.db2.gz GSXWLIGQOMLOJK-LURJTMIESA-N -1 3 279.218 2.838 20 5 CFBDHM CC1(C)C(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596219410 349830019 /nfs/dbraw/zinc/83/00/19/349830019.db2.gz SHWITALVBFZARE-UHFFFAOYSA-N -1 3 265.313 2.790 20 5 CFBDHM C[C@@H]1CC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596217702 349830375 /nfs/dbraw/zinc/83/03/75/349830375.db2.gz OTJUASWVMZHRNR-BDAKNGLRSA-N -1 3 251.286 2.544 20 5 CFBDHM CC(C)[C@@]1(C)C[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596269947 349848580 /nfs/dbraw/zinc/84/85/80/349848580.db2.gz IGVRRGIVDQKJGM-BXKDBHETSA-N -1 3 251.286 2.542 20 5 CFBDHM C[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC000092737156 347642987 /nfs/dbraw/zinc/64/29/87/347642987.db2.gz ZNGOZXWXLXSXPK-GHMZBOCLSA-N -1 3 264.325 2.921 20 5 CFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421612 348182538 /nfs/dbraw/zinc/18/25/38/348182538.db2.gz SQMLTGWGOFAYLE-NEPJUHHUSA-N -1 3 292.335 2.843 20 5 CFBDHM CC(C)[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732539 349316288 /nfs/dbraw/zinc/31/62/88/349316288.db2.gz MYCGTUYOJCFINS-ZDUSSCGKSA-N -1 3 292.335 2.913 20 5 CFBDHM CC(C)[C@@H](C)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732200 349316440 /nfs/dbraw/zinc/31/64/40/349316440.db2.gz KHDAGBZMAXSYHN-SNVBAGLBSA-N -1 3 280.324 2.769 20 5 CFBDHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000593737913 349317356 /nfs/dbraw/zinc/31/73/56/349317356.db2.gz ZQPXSFILPVRJCT-GHMZBOCLSA-N -1 3 292.335 2.771 20 5 CFBDHM C[C@H]1CC[C@H](C)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593739284 349317859 /nfs/dbraw/zinc/31/78/59/349317859.db2.gz XUOAVFICKPMGFO-QWRGUYRKSA-N -1 3 292.335 2.913 20 5 CFBDHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000600676489 350595537 /nfs/dbraw/zinc/59/55/37/350595537.db2.gz XRHAHPYJEMZZQD-QWRGUYRKSA-N -1 3 292.335 2.668 20 5 CFBDHM COc1cc(CNCc2ccc(C)o2)c([N+](=O)[O-])cc1[O-] ZINC000601151770 350683110 /nfs/dbraw/zinc/68/31/10/350683110.db2.gz DRROOZPHQXTESS-UHFFFAOYSA-N -1 3 292.291 2.500 20 5 CFBDHM CCc1[n-]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1C(C)C ZINC000601932481 350806225 /nfs/dbraw/zinc/80/62/25/350806225.db2.gz QODICPGAWPNTLD-CYBMUJFWSA-N -1 3 275.308 2.980 20 5 CFBDHM CCOc1nc(C(=O)[N-]c2cccc([N+](=O)[O-])c2C)co1 ZINC000613865842 352019000 /nfs/dbraw/zinc/01/90/00/352019000.db2.gz LIZJBTJKDLMSGX-UHFFFAOYSA-N -1 3 291.263 2.542 20 5 CFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1coc(C2CC2)n1 ZINC000614406066 352090781 /nfs/dbraw/zinc/09/07/81/352090781.db2.gz QNMMVRHLICZMDE-UHFFFAOYSA-N -1 3 291.238 2.852 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000292163242 198187871 /nfs/dbraw/zinc/18/78/71/198187871.db2.gz UCGWQNRYQYAKGX-MRVPVSSYSA-N -1 3 286.715 2.956 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1NC([O-])=NOC1CCCC1 ZINC000271812697 191342351 /nfs/dbraw/zinc/34/23/51/191342351.db2.gz OOELOTQDTRLJRF-UHFFFAOYSA-N -1 3 279.296 2.899 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC1CCCC1 ZINC000271812697 191342354 /nfs/dbraw/zinc/34/23/54/191342354.db2.gz OOELOTQDTRLJRF-UHFFFAOYSA-N -1 3 279.296 2.899 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263563627 383681366 /nfs/dbraw/zinc/68/13/66/383681366.db2.gz DLNLGTSRLTWPKD-NWDGAFQWSA-N -1 3 292.335 2.761 20 5 CFBDHM CC[C@H](C(=O)[O-])N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049964272 373338368 /nfs/dbraw/zinc/33/83/68/373338368.db2.gz LDWJUOADAYILAA-LLVKDONJSA-N -1 3 286.715 2.543 20 5 CFBDHM O=[N+]([O-])c1ccc(NC([O-])=NOC2CCCC2)cc1 ZINC000089265057 374892102 /nfs/dbraw/zinc/89/21/02/374892102.db2.gz OMYVEGBROPUXEX-UHFFFAOYSA-N -1 3 265.269 2.591 20 5 CFBDHM O=C([N-]OC1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000089265057 374892111 /nfs/dbraw/zinc/89/21/11/374892111.db2.gz OMYVEGBROPUXEX-UHFFFAOYSA-N -1 3 265.269 2.591 20 5 CFBDHM CSc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1 ZINC000116239924 376173251 /nfs/dbraw/zinc/17/32/51/376173251.db2.gz HWZYZRJRHOTICN-UHFFFAOYSA-N -1 3 279.277 2.557 20 5 CFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]OCC(C)C)c1 ZINC000135322301 378117643 /nfs/dbraw/zinc/11/76/43/378117643.db2.gz DOPZOICJYUWZBJ-UHFFFAOYSA-N -1 3 284.337 2.634 20 5 CFBDHM CCn1c(C)nc([N+](=O)[O-])c1Sc1cccc([O-])c1 ZINC000289734915 381128887 /nfs/dbraw/zinc/12/88/87/381128887.db2.gz SYMPKMNEVKWWBV-UHFFFAOYSA-N -1 3 279.321 2.976 20 5 CFBDHM O=[N+]([O-])c1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)[n-]1 ZINC000356969899 381933918 /nfs/dbraw/zinc/93/39/18/381933918.db2.gz FSIUVKIMBKTRDP-UHFFFAOYSA-N -1 3 296.246 2.516 20 5 CFBDHM Cc1cc(C)cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186776780 382011093 /nfs/dbraw/zinc/01/10/93/382011093.db2.gz KCIBNUBADVEIJC-UHFFFAOYSA-N -1 3 287.275 2.565 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1-c1nc2ccc(O)cc2c(=O)[n-]1 ZINC000351855470 382066798 /nfs/dbraw/zinc/06/67/98/382066798.db2.gz TXQUDYDCRBNEON-UHFFFAOYSA-N -1 3 297.270 2.925 20 5 CFBDHM Cc1ccc(S(=O)(=O)[N-]C2(C)CCCC2)c([N+](=O)[O-])c1 ZINC000337935541 382874304 /nfs/dbraw/zinc/87/43/04/382874304.db2.gz LWFZLQJVJPQTQI-UHFFFAOYSA-N -1 3 298.364 2.514 20 5 CFBDHM COc1ccc(C=Cc2nc(C)cc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000339115677 383154917 /nfs/dbraw/zinc/15/49/17/383154917.db2.gz QOTLDCAZKNCQJZ-GQCTYLIASA-N -1 3 287.275 2.578 20 5 CFBDHM Cc1sc(C(=O)Nc2ccccc2[O-])cc1[N+](=O)[O-] ZINC000340100931 383353949 /nfs/dbraw/zinc/35/39/49/383353949.db2.gz OKIJIOYVTLWNPA-UHFFFAOYSA-N -1 3 278.289 2.923 20 5 CFBDHM CC(C)(C)n1cc([N-]c2ncc([N+](=O)[O-])s2)cn1 ZINC000190322379 393580019 /nfs/dbraw/zinc/58/00/19/393580019.db2.gz OKUJDWKFYLOSNE-UHFFFAOYSA-N -1 3 267.314 2.746 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492999920 394121526 /nfs/dbraw/zinc/12/15/26/394121526.db2.gz VSBFKAKPEGPJEE-STUBTGCMSA-N -1 3 296.298 2.841 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492999918 394121647 /nfs/dbraw/zinc/12/16/47/394121647.db2.gz VSBFKAKPEGPJEE-BXKUYDPTSA-N -1 3 296.298 2.841 20 5 CFBDHM CC(=O)c1ccc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000348010604 154287432 /nfs/dbraw/zinc/28/74/32/154287432.db2.gz NLBNNHXBRMPDMG-UHFFFAOYSA-N -1 3 292.222 2.782 20 5 CFBDHM Cc1ccc([O-])c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000345925641 162277737 /nfs/dbraw/zinc/27/77/37/162277737.db2.gz KIFPSFDYAWICFP-UHFFFAOYSA-N -1 3 287.275 2.565 20 5 CFBDHM Cc1cc(=O)[n-]c(C=Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000352035120 163218441 /nfs/dbraw/zinc/21/84/41/163218441.db2.gz MIIFHNIXIDESOD-GQCTYLIASA-N -1 3 271.276 2.878 20 5 CFBDHM COc1ccc(C(=O)Nc2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000020211838 171075206 /nfs/dbraw/zinc/07/52/06/171075206.db2.gz YMFBMMNNEMYDET-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM COc1ccc([N-]C(=O)c2cc(C)sn2)c([N+](=O)[O-])c1 ZINC000435668610 281235846 /nfs/dbraw/zinc/23/58/46/281235846.db2.gz ATLAFKKGKBDODC-UHFFFAOYSA-N -1 3 293.304 2.621 20 5 CFBDHM CC[C@H]1[C@H](C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330448863 281274624 /nfs/dbraw/zinc/27/46/24/281274624.db2.gz HHICJFKGFDRJTH-MFKMUULPSA-N -1 3 264.325 2.921 20 5 CFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(C)no1 ZINC000545251489 281683711 /nfs/dbraw/zinc/68/37/11/281683711.db2.gz OGDWDAXINTZBBN-UHFFFAOYSA-N -1 3 291.263 2.542 20 5 CFBDHM CCC[C@@H](CC)S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000568832685 290572133 /nfs/dbraw/zinc/57/21/33/290572133.db2.gz GRQYIAFMUFYDEG-GFCCVEGCSA-N -1 3 286.353 2.915 20 5 CFBDHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1c(F)cccc1F ZINC000161631105 322354952 /nfs/dbraw/zinc/35/49/52/322354952.db2.gz ULPBVGLZAWHLPX-UHFFFAOYSA-N -1 3 293.229 2.829 20 5 CFBDHM Cc1cc2c([n-]c(-c3ccc([N+](=O)[O-])s3)nc2=O)s1 ZINC000165074223 322384333 /nfs/dbraw/zinc/38/43/33/322384333.db2.gz ZRERRENCNVBAET-UHFFFAOYSA-N -1 3 293.329 2.930 20 5 CFBDHM O=C(Nc1cccc(Cl)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187538569 527343550 /nfs/dbraw/zinc/34/35/50/527343550.db2.gz ACGYJDZGEIJXKU-UHFFFAOYSA-N -1 3 293.666 2.601 20 5 CFBDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccccc1[N+](=O)[O-] ZINC000737222079 574118764 /nfs/dbraw/zinc/11/87/64/574118764.db2.gz VLKRLXXKCIVEED-UHFFFAOYSA-N -1 3 297.274 2.876 20 5 CFBDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccccc1[N+](=O)[O-] ZINC000737222079 574118766 /nfs/dbraw/zinc/11/87/66/574118766.db2.gz VLKRLXXKCIVEED-UHFFFAOYSA-N -1 3 297.274 2.876 20 5 CFBDHM O=C([N-]c1noc2c1CCCC2)c1csc([N+](=O)[O-])c1 ZINC000900776184 620711295 /nfs/dbraw/zinc/71/12/95/620711295.db2.gz JPFJREYXZJKINI-UHFFFAOYSA-N -1 3 293.304 2.775 20 5 CFBDHM O=c1[n-]ccc(N[C@H]2CCSC3(CCC3)C2)c1[N+](=O)[O-] ZINC000896250434 619705661 /nfs/dbraw/zinc/70/56/61/619705661.db2.gz PAWRZQNZCRIULH-VIFPVBQESA-N -1 3 295.364 2.926 20 5 CFBDHM O=c1[n-]ccc(NCC2CCC=CCC2)c1[N+](=O)[O-] ZINC000896549929 619760755 /nfs/dbraw/zinc/76/07/55/619760755.db2.gz PETJOYIRANUXQU-UHFFFAOYSA-N -1 3 263.297 2.854 20 5 CFBDHM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2C)c(=O)c1C(C)C ZINC000899351238 620550845 /nfs/dbraw/zinc/55/08/45/620550845.db2.gz DKDJQSQJNQNUFJ-ZDUSSCGKSA-N -1 3 275.308 2.898 20 5 CFBDHM Cc1cc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])no1 ZINC000149112039 621962985 /nfs/dbraw/zinc/96/29/85/621962985.db2.gz FVJSLVASOODTKO-UHFFFAOYSA-N -1 3 281.655 2.797 20 5 CFBDHM CCc1onc(C)c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000916667018 624272634 /nfs/dbraw/zinc/27/26/34/624272634.db2.gz CLZSQQIVNMXRSX-UHFFFAOYSA-N -1 3 293.254 2.845 20 5 CFBDHM CCCCc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1 ZINC000839431193 626536209 /nfs/dbraw/zinc/53/62/09/626536209.db2.gz ONQGRIFGKYSMNB-UHFFFAOYSA-N -1 3 290.279 2.573 20 5 CFBDHM Cc1cc(=O)[n-]c(CSCc2ccc([N+](=O)[O-])cc2)n1 ZINC000763208364 626970608 /nfs/dbraw/zinc/97/06/08/626970608.db2.gz LXYGSXFMESCQIM-UHFFFAOYSA-N -1 3 291.332 2.832 20 5 CFBDHM O=C([N-]Cc1ccoc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000777991273 628270658 /nfs/dbraw/zinc/27/06/58/628270658.db2.gz DWWPMRRPZSMPOF-UHFFFAOYSA-N -1 3 296.229 2.596 20 5 CFBDHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cccc([O-])c1)CC2 ZINC000781013549 628512631 /nfs/dbraw/zinc/51/26/31/628512631.db2.gz MVEAPJDHIJAOJP-UHFFFAOYSA-N -1 3 298.298 2.812 20 5 CFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1ccncc1F ZINC000124151039 641859039 /nfs/dbraw/zinc/85/90/39/641859039.db2.gz OXDKHHMXYSWAGY-UHFFFAOYSA-N -1 3 279.202 2.520 20 5 CFBDHM Cc1ocnc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800151933 646159383 /nfs/dbraw/zinc/15/93/83/646159383.db2.gz UDIBUWSVTQLPQF-UHFFFAOYSA-N -1 3 279.227 2.591 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCCc2cccnc21 ZINC001225662247 775546983 /nfs/dbraw/zinc/54/69/83/775546983.db2.gz RVTGVIAXIUMGDX-NSHDSACASA-N -1 3 287.275 2.547 20 5 CFBDHM CC[C@H](Oc1nccc([O-])c1[N+](=O)[O-])C(C)(C)C ZINC001225667336 775549296 /nfs/dbraw/zinc/54/92/96/775549296.db2.gz RGYLENRSVAZFCA-VIFPVBQESA-N -1 3 254.286 2.899 20 5 CFBDHM C[C@@H]1CCC[C@H](C)[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225668179 775550226 /nfs/dbraw/zinc/55/02/26/775550226.db2.gz ZPVRVTIBRRPHLY-GDGBQDQQSA-N -1 3 266.297 2.899 20 5 CFBDHM C[C@@H]1CCCC[C@@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667995 775550890 /nfs/dbraw/zinc/55/08/90/775550890.db2.gz XQHXQIIBIIQGOP-SCZZXKLOSA-N -1 3 252.270 2.653 20 5 CFBDHM C[C@@H]1CC[C@@H](C)[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225668146 775551189 /nfs/dbraw/zinc/55/11/89/775551189.db2.gz YXTMOLXQOVOYRJ-FXPVBKGRSA-N -1 3 266.297 2.899 20 5 CFBDHM O=[N+]([O-])c1cccc([O-])c1O[C@H]1CCc2cccnc21 ZINC001226334346 775782553 /nfs/dbraw/zinc/78/25/53/775782553.db2.gz SZGYVNACPAYSIP-LBPRGKRZSA-N -1 3 272.260 2.762 20 5 CFBDHM Cc1nc(O[C@H](C)c2cccc([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC001226512902 775855292 /nfs/dbraw/zinc/85/52/92/775855292.db2.gz WKOVNSHTYGUCGV-MRVPVSSYSA-N -1 3 275.264 2.539 20 5 CFBDHM CO[C@H]1CCCC[C@@H]1Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227742539 776275414 /nfs/dbraw/zinc/27/54/14/776275414.db2.gz ARIZMAZDBPAKBV-STQMWFEESA-N -1 3 291.307 2.808 20 5 CFBDHM CO[C@H]1CCCC[C@@H]1Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227742539 776275422 /nfs/dbraw/zinc/27/54/22/776275422.db2.gz ARIZMAZDBPAKBV-STQMWFEESA-N -1 3 291.307 2.808 20 5 CFBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3C[C@H]4C[C@H]4C3)[n-]c2c1 ZINC001227746770 776278444 /nfs/dbraw/zinc/27/84/44/776278444.db2.gz UJQPYEDQPZVKNE-DIYOJNKTSA-N -1 3 259.265 2.648 20 5 CFBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3C[C@H]4C[C@H]4C3)nc2c1 ZINC001227746770 776278446 /nfs/dbraw/zinc/27/84/46/776278446.db2.gz UJQPYEDQPZVKNE-DIYOJNKTSA-N -1 3 259.265 2.648 20 5 CFBDHM CCCOC[C@H](C)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227746781 776278793 /nfs/dbraw/zinc/27/87/93/776278793.db2.gz ULCJKNYZTBCLDU-VIFPVBQESA-N -1 3 279.296 2.665 20 5 CFBDHM CCCOC[C@H](C)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227746781 776278797 /nfs/dbraw/zinc/27/87/97/776278797.db2.gz ULCJKNYZTBCLDU-VIFPVBQESA-N -1 3 279.296 2.665 20 5 CFBDHM Cc1cc2[n-]c(OC[C@@H]3CC[C@H](C)O3)nc2cc1[N+](=O)[O-] ZINC001228672411 776562547 /nfs/dbraw/zinc/56/25/47/776562547.db2.gz STWKBIJCEBXMLP-UWVGGRQHSA-N -1 3 291.307 2.726 20 5 CFBDHM Cc1cc2[n-]c(O[C@@H]3CCCCC3=O)nc2cc1[N+](=O)[O-] ZINC001228676519 776563312 /nfs/dbraw/zinc/56/33/12/776563312.db2.gz IQKMBVHQFJSYGN-CYBMUJFWSA-N -1 3 289.291 2.670 20 5 CFBDHM CC[C@@H](COC)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228676259 776563593 /nfs/dbraw/zinc/56/35/93/776563593.db2.gz XVNABYCYDUIDRH-VIFPVBQESA-N -1 3 279.296 2.583 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC001228684982 776567982 /nfs/dbraw/zinc/56/79/82/776567982.db2.gz COZQOZANWHEVPV-PSASIEDQSA-N -1 3 266.297 2.961 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCCC[C@@H]2F)c1[N+](=O)[O-] ZINC001228689704 776569385 /nfs/dbraw/zinc/56/93/85/776569385.db2.gz WUDQDZJQDVXWBU-DTWKUNHWSA-N -1 3 270.260 2.663 20 5 CFBDHM C[C@@H]1CC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C[C@@H]1C ZINC001225666364 777155842 /nfs/dbraw/zinc/15/58/42/777155842.db2.gz HJWGPSUCMAYUQW-UTLUCORTSA-N -1 3 266.297 2.899 20 5 CFBDHM O=[N+]([O-])c1cc2[n-]c(O[C@H]3CCCOC3)nc2cc1Cl ZINC001233497285 777969405 /nfs/dbraw/zinc/96/94/05/777969405.db2.gz GHDCTFSMUIYGJI-ZETCQYMHSA-N -1 3 297.698 2.682 20 5 CFBDHM CC[C@H](COC)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233497849 777971057 /nfs/dbraw/zinc/97/10/57/777971057.db2.gz IPPRRPLSNQPPPC-SSDOTTSWSA-N -1 3 299.714 2.928 20 5 CFBDHM O=[N+]([O-])c1cc2[n-]c(OC3CC3)nc2cc1Cl ZINC001233501411 777972541 /nfs/dbraw/zinc/97/25/41/777972541.db2.gz ZRCYEXLHLYWSNG-UHFFFAOYSA-N -1 3 253.645 2.666 20 5 CFBDHM CC(C)(C)CN(CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000595886883 349761716 /nfs/dbraw/zinc/76/17/16/349761716.db2.gz PAYQONABLTUWMJ-UHFFFAOYSA-N -1 3 298.314 2.667 20 5 CFBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595907622 349766739 /nfs/dbraw/zinc/76/67/39/349766739.db2.gz CFWLHHPLUMFAPZ-LLVKDONJSA-N -1 3 264.325 2.778 20 5 CFBDHM CCc1ccc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596050873 349782056 /nfs/dbraw/zinc/78/20/56/349782056.db2.gz RMIXQIOJMHXTRX-UHFFFAOYSA-N -1 3 287.319 2.894 20 5 CFBDHM C[C@H](CCc1ccco1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596059094 349783655 /nfs/dbraw/zinc/78/36/55/349783655.db2.gz UYPMINRNCLPZLP-SECBINFHSA-N -1 3 277.280 2.722 20 5 CFBDHM C[C@@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H]1C ZINC000596056566 349783667 /nfs/dbraw/zinc/78/36/67/349783667.db2.gz YMVLSMLPVPZRSW-BBBLOLIVSA-N -1 3 265.313 2.932 20 5 CFBDHM C[C@@H]1CCCC[C@@H]1OCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596077944 349789009 /nfs/dbraw/zinc/78/90/09/349789009.db2.gz WXONUHOOPOYVPI-PWSUYJOCSA-N -1 3 295.339 2.703 20 5 CFBDHM C[C@H]1CCCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596091438 349792297 /nfs/dbraw/zinc/79/22/97/349792297.db2.gz ZPOBFYNHKCMERW-VHSXEESVSA-N -1 3 265.313 2.934 20 5 CFBDHM C[C@@H]1CCCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596091434 349792102 /nfs/dbraw/zinc/79/21/02/349792102.db2.gz ZPOBFYNHKCMERW-NXEZZACHSA-N -1 3 265.313 2.934 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000596120813 349799035 /nfs/dbraw/zinc/79/90/35/349799035.db2.gz SVXKZRPIOGSCOP-NSHDSACASA-N -1 3 285.303 2.837 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000596132262 349803091 /nfs/dbraw/zinc/80/30/91/349803091.db2.gz WCZWACKXAOPGBO-LLVKDONJSA-N -1 3 299.330 2.912 20 5 CFBDHM CS[C@@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596132295 349803130 /nfs/dbraw/zinc/80/31/30/349803130.db2.gz WUSKXXQLEGRMDP-RKDXNWHRSA-N -1 3 283.353 2.782 20 5 CFBDHM CC[C@@]1(C)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596141527 349806424 /nfs/dbraw/zinc/80/64/24/349806424.db2.gz LRMHCIQRKZGKCY-ZDUSSCGKSA-N -1 3 265.313 2.712 20 5 CFBDHM CC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])Cc2ccccc2C1 ZINC000596181825 349819331 /nfs/dbraw/zinc/81/93/31/349819331.db2.gz KCJVFHQGAFDBIN-UHFFFAOYSA-N -1 3 299.330 2.912 20 5 CFBDHM CC(C)[C@@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596255864 349842805 /nfs/dbraw/zinc/84/28/05/349842805.db2.gz ZUVNIMWIEABTBL-PWSUYJOCSA-N -1 3 295.339 2.559 20 5 CFBDHM Cc1cccc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC000596237109 349835760 /nfs/dbraw/zinc/83/57/60/349835760.db2.gz CKGFHXQBIOWARN-UHFFFAOYSA-N -1 3 287.319 2.949 20 5 CFBDHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn(CC(C)C)c2)n1 ZINC000128021385 187346383 /nfs/dbraw/zinc/34/63/83/187346383.db2.gz DZZIJFPOLMSEEZ-UHFFFAOYSA-N -1 3 275.312 2.894 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CCC3(CCCC3)O2)c1[N+](=O)[O-] ZINC000596296031 349855687 /nfs/dbraw/zinc/85/56/87/349855687.db2.gz DPOIHNZHYPTLMY-JTQLQIEISA-N -1 3 293.323 2.599 20 5 CFBDHM Cc1ccc2c(c1)CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596410884 349893920 /nfs/dbraw/zinc/89/39/20/349893920.db2.gz TWJSCTUSNRLFLG-UHFFFAOYSA-N -1 3 285.303 2.567 20 5 CFBDHM C[C@H](N(C)Cc1cc([O-])ccc1[N+](=O)[O-])C1(C)CC1 ZINC000091900222 347602195 /nfs/dbraw/zinc/60/21/95/347602195.db2.gz HCTQQNUZJUWRSC-JTQLQIEISA-N -1 3 264.325 2.921 20 5 CFBDHM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000093480766 347674982 /nfs/dbraw/zinc/67/49/82/347674982.db2.gz LPKMGJAQMIWKDS-QWRGUYRKSA-N -1 3 264.325 2.778 20 5 CFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000593737829 349317342 /nfs/dbraw/zinc/31/73/42/349317342.db2.gz WGKODVUKWUOULM-VXGBXAGGSA-N -1 3 290.319 2.525 20 5 CFBDHM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594040519 349360061 /nfs/dbraw/zinc/36/00/61/349360061.db2.gz GNBZMXBXPRPJLQ-DZGCQCFKSA-N -1 3 294.351 2.738 20 5 CFBDHM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccccc1[N+](=O)[O-] ZINC000600676659 350595595 /nfs/dbraw/zinc/59/55/95/350595595.db2.gz ZFVIIIRIFYMJBU-PTEHBNRSSA-N -1 3 292.335 2.668 20 5 CFBDHM CC(C)Cn1cc([N-]c2ncc(F)cc2[N+](=O)[O-])cn1 ZINC000601120827 350673906 /nfs/dbraw/zinc/67/39/06/350673906.db2.gz OBBUQOBPBASCIX-UHFFFAOYSA-N -1 3 279.275 2.725 20 5 CFBDHM Cc1ccnc([N-]c2cnn(CC3CC3)c2)c1[N+](=O)[O-] ZINC000610285060 351550048 /nfs/dbraw/zinc/55/00/48/351550048.db2.gz KPQAOYHTKSWLKV-UHFFFAOYSA-N -1 3 273.296 2.648 20 5 CFBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]OCc1ccccc1 ZINC000211845850 540222135 /nfs/dbraw/zinc/22/21/35/540222135.db2.gz KLWGINHHJIPUFA-KTKRTIGZSA-N -1 3 298.298 2.856 20 5 CFBDHM O=C(Nc1ccsc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000118678254 284387534 /nfs/dbraw/zinc/38/75/34/284387534.db2.gz OGMDLEBRVDPTAX-UHFFFAOYSA-N -1 3 288.288 2.785 20 5 CFBDHM Cc1ccc([O-])c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000172421165 379565275 /nfs/dbraw/zinc/56/52/75/379565275.db2.gz VLAZKOPIDNCORE-UHFFFAOYSA-N -1 3 298.298 2.812 20 5 CFBDHM O=[N+]([O-])c1c(NCc2ncccc2[O-])ccc2ncccc21 ZINC000359899878 381666670 /nfs/dbraw/zinc/66/66/70/381666670.db2.gz MTGDHRKCFZIVPJ-UHFFFAOYSA-N -1 3 296.286 2.856 20 5 CFBDHM Cc1ncc(CNc2ccc(Cl)cc2[N+](=O)[O-])c(=O)[n-]1 ZINC000349263232 381870859 /nfs/dbraw/zinc/87/08/59/381870859.db2.gz DTBRBYSVRDRBMA-UHFFFAOYSA-N -1 3 294.698 2.664 20 5 CFBDHM O=C(Nc1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187538771 382205728 /nfs/dbraw/zinc/20/57/28/382205728.db2.gz VEQFYKBRJYFVBW-UHFFFAOYSA-N -1 3 293.666 2.601 20 5 CFBDHM Cn1nc([N-]c2c(F)cc([N+](=O)[O-])cc2F)cc1C1CC1 ZINC000357621852 382255550 /nfs/dbraw/zinc/25/55/50/382255550.db2.gz LXAZWGLDBKZHCK-UHFFFAOYSA-N -1 3 294.261 2.649 20 5 CFBDHM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]OC[C@H](C)CC)c1 ZINC000293748161 382263090 /nfs/dbraw/zinc/26/30/90/382263090.db2.gz OVTCLPIBRSFDIK-SNVBAGLBSA-N -1 3 296.323 2.701 20 5 CFBDHM Cc1c([N-]C(=O)c2ncc(F)cc2F)cccc1[N+](=O)[O-] ZINC000192083955 382704646 /nfs/dbraw/zinc/70/46/46/382704646.db2.gz GFYRCWJIEBNJAB-UHFFFAOYSA-N -1 3 293.229 2.829 20 5 CFBDHM C[C@@H](C1CCC1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339064570 383137429 /nfs/dbraw/zinc/13/74/29/383137429.db2.gz MRTRNIOTNLIQES-JTQLQIEISA-N -1 3 264.325 2.921 20 5 CFBDHM CC(C)CN(CCC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000522007249 383322123 /nfs/dbraw/zinc/32/21/23/383322123.db2.gz BFYOYSLGWYNIGI-UHFFFAOYSA-N -1 3 280.324 2.528 20 5 CFBDHM CC(C)c1ccc(CN2CC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263430483 383666052 /nfs/dbraw/zinc/66/60/52/383666052.db2.gz RZKLLRWKVSKVGF-LBPRGKRZSA-N -1 3 292.335 2.625 20 5 CFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)[N-]OC1CCCC1 ZINC000272062041 385438194 /nfs/dbraw/zinc/43/81/94/385438194.db2.gz CKWYMRHOWYOJGE-UHFFFAOYSA-N -1 3 298.726 2.781 20 5 CFBDHM CO[C@@]1(C)C[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000344730711 393903259 /nfs/dbraw/zinc/90/32/59/393903259.db2.gz YPKPSWHCUPZLCX-HIFRSBDPSA-N -1 3 294.351 2.594 20 5 CFBDHM CCOc1ccc([N+](=O)[O-])cc1NC([O-])=NOCC(C)C ZINC000281974198 394103515 /nfs/dbraw/zinc/10/35/15/394103515.db2.gz OFRIEFZPGIQWOC-UHFFFAOYSA-N -1 3 297.311 2.703 20 5 CFBDHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCC(C)C ZINC000281974198 394103519 /nfs/dbraw/zinc/10/35/19/394103519.db2.gz OFRIEFZPGIQWOC-UHFFFAOYSA-N -1 3 297.311 2.703 20 5 CFBDHM Cc1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])ccc1[O-] ZINC000354742643 154803724 /nfs/dbraw/zinc/80/37/24/154803724.db2.gz PGQTURWEVHGTAD-UHFFFAOYSA-N -1 3 298.298 2.812 20 5 CFBDHM CO[C@]1(C)C[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000344730712 162110539 /nfs/dbraw/zinc/11/05/39/162110539.db2.gz YPKPSWHCUPZLCX-UKRRQHHQSA-N -1 3 294.351 2.594 20 5 CFBDHM C[C@@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330457493 288211413 /nfs/dbraw/zinc/21/14/13/288211413.db2.gz QLHCKIRBPOVQKU-JTQLQIEISA-N -1 3 264.325 2.921 20 5 CFBDHM Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)ccc1[O-] ZINC000541857312 281613412 /nfs/dbraw/zinc/61/34/12/281613412.db2.gz LCSIWXQCSFXOCL-UHFFFAOYSA-N -1 3 286.287 2.539 20 5 CFBDHM Cc1cc(N[C@H](C)CC(=O)[O-])c2cc([N+](=O)[O-])ccc2n1 ZINC000122157922 301364841 /nfs/dbraw/zinc/36/48/41/301364841.db2.gz QFQKBLTUGRNBDF-SECBINFHSA-N -1 3 289.291 2.727 20 5 CFBDHM CCc1coc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000576533392 324628195 /nfs/dbraw/zinc/62/81/95/324628195.db2.gz PXIPRPJBFSRBDR-UHFFFAOYSA-N -1 3 279.227 2.537 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](c2ccncc2)C1 ZINC000583761021 325309317 /nfs/dbraw/zinc/30/93/17/325309317.db2.gz DCWCNFKNBDEOJS-ZDUSSCGKSA-N -1 3 299.330 2.685 20 5 CFBDHM CC=Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000360324080 518567417 /nfs/dbraw/zinc/56/74/17/518567417.db2.gz JLISVLYDUYKPEH-IHWYPQMZSA-N -1 3 299.286 2.981 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1[O-] ZINC000049398498 526074060 /nfs/dbraw/zinc/07/40/60/526074060.db2.gz NWWCFNKLKZBZHL-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM O=C([O-])[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000050509151 527654655 /nfs/dbraw/zinc/65/46/55/527654655.db2.gz GNIDRHUWYCCBMQ-AWEZNQCLSA-N -1 3 286.287 2.510 20 5 CFBDHM Cc1nscc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000179494655 618280041 /nfs/dbraw/zinc/28/00/41/618280041.db2.gz FMFZAMGDIKYHPE-UHFFFAOYSA-N -1 3 281.268 2.751 20 5 CFBDHM O=C(Nc1ccc([O-])cc1F)c1ccccc1[N+](=O)[O-] ZINC000070333124 625301203 /nfs/dbraw/zinc/30/12/03/625301203.db2.gz JMHJZWIFIRHLRT-UHFFFAOYSA-N -1 3 276.223 2.692 20 5 CFBDHM CC1(C)C[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C(C)(C)O1 ZINC000896518750 619754973 /nfs/dbraw/zinc/75/49/73/619754973.db2.gz WAODRGQTYXVNOJ-VIFPVBQESA-N -1 3 295.339 2.701 20 5 CFBDHM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2C)c(=O)c1C(C)C ZINC000899351237 620550567 /nfs/dbraw/zinc/55/05/67/620550567.db2.gz DKDJQSQJNQNUFJ-CYBMUJFWSA-N -1 3 275.308 2.898 20 5 CFBDHM Cc1nc(C)c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)o1 ZINC000174172200 623395796 /nfs/dbraw/zinc/39/57/96/623395796.db2.gz RBNOJWIDIPDVMF-UHFFFAOYSA-N -1 3 279.227 2.591 20 5 CFBDHM CC(C)CN(CCC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1F ZINC000826876050 623900186 /nfs/dbraw/zinc/90/01/86/623900186.db2.gz PGRSLUPAWDJKTG-UHFFFAOYSA-N -1 3 298.314 2.667 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000794865958 629697698 /nfs/dbraw/zinc/69/76/98/629697698.db2.gz RULOYEKVHIOAHC-SNVBAGLBSA-N -1 3 280.324 2.540 20 5 CFBDHM COc1cc([N+](=O)[O-])ccc1CO[N-]C(=O)CC(C)(C)C ZINC000842061068 631519177 /nfs/dbraw/zinc/51/91/77/631519177.db2.gz IUBCALLZMZGNPC-UHFFFAOYSA-N -1 3 296.323 2.587 20 5 CFBDHM O=C(Nc1ncccc1[O-])c1cccc([N+](=O)[O-])c1Cl ZINC000816823010 632527363 /nfs/dbraw/zinc/52/73/63/632527363.db2.gz FDULQCRLIMKJFE-UHFFFAOYSA-N -1 3 293.666 2.601 20 5 CFBDHM CCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)C ZINC000846234144 632671409 /nfs/dbraw/zinc/67/14/09/632671409.db2.gz KCOWJXHJJSDPKW-UHFFFAOYSA-N -1 3 266.297 2.523 20 5 CFBDHM Cc1cccc2c1CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000853271309 634956654 /nfs/dbraw/zinc/95/66/54/634956654.db2.gz GRNZLEDLVOVIKC-UHFFFAOYSA-N -1 3 285.303 2.567 20 5 CFBDHM O=C1[N-]C(=O)C(=Cc2ccc([N+](=O)[O-])cc2Cl)S1 ZINC000874929250 642555235 /nfs/dbraw/zinc/55/52/35/642555235.db2.gz XHODFFNIHSECIG-BAQGIRSFSA-N -1 3 284.680 2.572 20 5 CFBDHM C[C@H](Oc1ccnc(=S)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001226939964 777702934 /nfs/dbraw/zinc/70/29/34/777702934.db2.gz LXWWPBLILWTMOH-QMMMGPOBSA-N -1 3 277.305 2.814 20 5 CFBDHM C[C@@H](COc1ccccc1)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666762 775548631 /nfs/dbraw/zinc/54/86/31/775548631.db2.gz MBMWPPNXEDJSHO-JTQLQIEISA-N -1 3 290.275 2.542 20 5 CFBDHM CCCC(=O)[C@H](CCC)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225668195 775550330 /nfs/dbraw/zinc/55/03/30/775550330.db2.gz ZUVGPEWOCKFBAD-NSHDSACASA-N -1 3 282.296 2.612 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1OC1CCCCCC1 ZINC001225668186 775550511 /nfs/dbraw/zinc/55/05/11/775550511.db2.gz ZRXBHQOPNCYZJQ-UHFFFAOYSA-N -1 3 252.270 2.797 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H](c1cccnc1)C1CC1 ZINC001225668016 775550651 /nfs/dbraw/zinc/55/06/51/775550651.db2.gz XUZVQWICUQHFRY-CYBMUJFWSA-N -1 3 287.275 2.621 20 5 CFBDHM C[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])C(F)(F)F ZINC001226337549 775783583 /nfs/dbraw/zinc/78/35/83/775783583.db2.gz YQMUEUZPCXWUQP-RXMQYKEDSA-N -1 3 251.160 2.630 20 5 CFBDHM Cc1nc(O[C@H](C)c2ccccc2[N+](=O)[O-])cc(=O)[n-]1 ZINC001226510786 775854201 /nfs/dbraw/zinc/85/42/01/775854201.db2.gz PZFFRSBIXHKGMQ-MRVPVSSYSA-N -1 3 275.264 2.539 20 5 CFBDHM C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C1CCCC1 ZINC001227692557 776258918 /nfs/dbraw/zinc/25/89/18/776258918.db2.gz ZOHLDOSAYMKJML-MRVPVSSYSA-N -1 3 276.296 2.824 20 5 CFBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3C=CCCC3)[n-]c2c1 ZINC001227745792 776277577 /nfs/dbraw/zinc/27/75/77/776277577.db2.gz OKNRATVRWRADBR-JTQLQIEISA-N -1 3 259.265 2.959 20 5 CFBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3C=CCCC3)nc2c1 ZINC001227745792 776277584 /nfs/dbraw/zinc/27/75/84/776277584.db2.gz OKNRATVRWRADBR-JTQLQIEISA-N -1 3 259.265 2.959 20 5 CFBDHM Cc1cc2[n-]c(O[C@@H](C)c3cnccn3)nc2cc1[N+](=O)[O-] ZINC001228676310 776564028 /nfs/dbraw/zinc/56/40/28/776564028.db2.gz ZITMGRQXHOUDSZ-VIFPVBQESA-N -1 3 299.290 2.710 20 5 CFBDHM CCC[C@@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685383 776567583 /nfs/dbraw/zinc/56/75/83/776567583.db2.gz GWDBRFGXHMQIBN-SECBINFHSA-N -1 3 254.286 2.961 20 5 CFBDHM CCC[C@H](CC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685384 776568160 /nfs/dbraw/zinc/56/81/60/776568160.db2.gz GWDBRFGXHMQIBN-VIFPVBQESA-N -1 3 254.286 2.961 20 5 CFBDHM O=[N+]([O-])c1cc2[n-]c(O[C@@H]3CCCOC3)nc2cc1Cl ZINC001233497257 777969311 /nfs/dbraw/zinc/96/93/11/777969311.db2.gz GHDCTFSMUIYGJI-SSDOTTSWSA-N -1 3 297.698 2.682 20 5 CFBDHM C[C@@H](CCc1ccco1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596059103 349783957 /nfs/dbraw/zinc/78/39/57/349783957.db2.gz UYPMINRNCLPZLP-VIFPVBQESA-N -1 3 277.280 2.722 20 5 CFBDHM C[C@@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596073308 349787610 /nfs/dbraw/zinc/78/76/10/349787610.db2.gz JSFVIMNMDRVMAA-BDAKNGLRSA-N -1 3 251.286 2.686 20 5 CFBDHM Cc1ccccc1[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596105737 349795688 /nfs/dbraw/zinc/79/56/88/349795688.db2.gz MTUZZIMVGYCBOF-GFCCVEGCSA-N -1 3 299.330 2.998 20 5 CFBDHM CC(C)(CCC(=O)Nc1cc(Cl)ccc1[O-])[N+](=O)[O-] ZINC000294976691 199280866 /nfs/dbraw/zinc/28/08/66/199280866.db2.gz XWKOEJJWSSDFMS-UHFFFAOYSA-N -1 3 286.715 2.820 20 5 CFBDHM CCO[C@@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC000596146688 349807907 /nfs/dbraw/zinc/80/79/07/349807907.db2.gz HFDHCNZTGDVVLA-NSHDSACASA-N -1 3 283.328 2.559 20 5 CFBDHM CC(C)C[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596158370 349812828 /nfs/dbraw/zinc/81/28/28/349812828.db2.gz WGXKMMNPCRGUFV-LLVKDONJSA-N -1 3 279.340 2.958 20 5 CFBDHM C[C@@H]1C[C@H](C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596172077 349817021 /nfs/dbraw/zinc/81/70/21/349817021.db2.gz JAPPFOROBVRUSG-NXEZZACHSA-N -1 3 265.313 2.568 20 5 CFBDHM C[C@@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000596198933 349824763 /nfs/dbraw/zinc/82/47/63/349824763.db2.gz OLOVHLRTSZIVAM-UTLUCORTSA-N -1 3 265.313 2.932 20 5 CFBDHM O=c1[n-]ccc(NCCCc2cccs2)c1[N+](=O)[O-] ZINC000596182190 349819309 /nfs/dbraw/zinc/81/93/09/349819309.db2.gz QGJQHWAOJJALRF-UHFFFAOYSA-N -1 3 279.321 2.802 20 5 CFBDHM CCc1noc(C)c1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000063446902 346700051 /nfs/dbraw/zinc/70/00/51/346700051.db2.gz HMWKCSLKCOVZJN-UHFFFAOYSA-N -1 3 293.254 2.845 20 5 CFBDHM C[C@@H]1CC[C@H](C)N1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000091937318 347604041 /nfs/dbraw/zinc/60/40/41/347604041.db2.gz GGTWVQCCUVSZCH-AOOOYVTPSA-N -1 3 250.298 2.673 20 5 CFBDHM Cc1cc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)no1 ZINC000134518943 347898872 /nfs/dbraw/zinc/89/88/72/347898872.db2.gz ZUIUPZOKQUXXKK-UHFFFAOYSA-N -1 3 281.655 2.797 20 5 CFBDHM CC(C)CCN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732537 349316075 /nfs/dbraw/zinc/31/60/75/349316075.db2.gz MWIAHPUXZRNMIT-UHFFFAOYSA-N -1 3 280.324 2.771 20 5 CFBDHM CC[C@@H]1C[C@H](C)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738709 349317477 /nfs/dbraw/zinc/31/74/77/349317477.db2.gz KBBAWMJBDGTUCH-GXFFZTMASA-N -1 3 292.335 2.913 20 5 CFBDHM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccccc1[N+](=O)[O-] ZINC000600676660 350595502 /nfs/dbraw/zinc/59/55/02/350595502.db2.gz ZFVIIIRIFYMJBU-QWRGUYRKSA-N -1 3 292.335 2.668 20 5 CFBDHM CCc1[n-]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1C(C)C ZINC000601932484 350806298 /nfs/dbraw/zinc/80/62/98/350806298.db2.gz QODICPGAWPNTLD-ZDUSSCGKSA-N -1 3 275.308 2.980 20 5 CFBDHM O=C([O-])CCCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000602062430 350836766 /nfs/dbraw/zinc/83/67/66/350836766.db2.gz BPMUCFKRKKQYGH-UHFFFAOYSA-N -1 3 286.715 2.593 20 5 CFBDHM CC(C)CO[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000153330123 188075895 /nfs/dbraw/zinc/07/58/95/188075895.db2.gz ZUTQLOOEGYSBSF-UHFFFAOYSA-N -1 3 272.688 2.566 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCC(C)C ZINC000158073617 188355849 /nfs/dbraw/zinc/35/58/49/188355849.db2.gz CEJNDAVOLVLJBU-UHFFFAOYSA-N -1 3 267.285 2.612 20 5 CFBDHM COC[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000449768214 242148728 /nfs/dbraw/zinc/14/87/28/242148728.db2.gz AHJZJMGCMXZHBN-GFCCVEGCSA-N -1 3 294.351 2.549 20 5 CFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263329272 296234324 /nfs/dbraw/zinc/23/43/24/296234324.db2.gz LDXVVXPKHPNDCU-NTZNESFSSA-N -1 3 292.335 2.698 20 5 CFBDHM C[C@H]1CCCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000330673682 378596278 /nfs/dbraw/zinc/59/62/78/378596278.db2.gz YSOYDUXBUQUDBH-GXFFZTMASA-N -1 3 264.325 2.969 20 5 CFBDHM O=C(Nc1ccc([O-])cc1F)c1ccc([N+](=O)[O-])s1 ZINC000180859428 380707711 /nfs/dbraw/zinc/70/77/11/380707711.db2.gz JNBCZOPDECIRBQ-UHFFFAOYSA-N -1 3 282.252 2.753 20 5 CFBDHM CCc1nc(C)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000341665958 381159566 /nfs/dbraw/zinc/15/95/66/381159566.db2.gz CUMRWFVUEQSWNM-UHFFFAOYSA-N -1 3 281.293 2.767 20 5 CFBDHM CCc1nc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)co1 ZINC000347980953 381442990 /nfs/dbraw/zinc/44/29/90/381442990.db2.gz HBFWZRNRLHIWOS-UHFFFAOYSA-N -1 3 279.227 2.537 20 5 CFBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1ocnc1C1CC1 ZINC000344158040 382167017 /nfs/dbraw/zinc/16/70/17/382167017.db2.gz DEJJEQRYZXSDAF-UHFFFAOYSA-N -1 3 291.238 2.852 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000293681509 382232128 /nfs/dbraw/zinc/23/21/28/382232128.db2.gz JIYLKFJPGVUAAT-MRVPVSSYSA-N -1 3 286.715 2.956 20 5 CFBDHM Cc1c(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000397021684 382632536 /nfs/dbraw/zinc/63/25/36/382632536.db2.gz RSPAUSCFKLVSKK-GWCFXTLKSA-N -1 3 292.335 2.588 20 5 CFBDHM COc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c([O-])c1 ZINC000442690389 382946083 /nfs/dbraw/zinc/94/60/83/382946083.db2.gz ARQQSEWXNDZSTE-UHFFFAOYSA-N -1 3 294.288 2.623 20 5 CFBDHM CC(C)N(Cc1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000339061743 383135838 /nfs/dbraw/zinc/13/58/38/383135838.db2.gz LIHSDYPACXIYTL-UHFFFAOYSA-N -1 3 252.314 2.919 20 5 CFBDHM CCCC[C@H](C(=O)[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000584535032 383111323 /nfs/dbraw/zinc/11/13/23/383111323.db2.gz NXSAXTRJIYKJQF-CQSZACIVSA-N -1 3 292.335 2.596 20 5 CFBDHM COC[C@H]1CCCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339099568 383149500 /nfs/dbraw/zinc/14/95/00/383149500.db2.gz XVDMQERTNUESAO-LBPRGKRZSA-N -1 3 294.351 2.549 20 5 CFBDHM O=C(Nc1ccccc1[O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000340102299 383355097 /nfs/dbraw/zinc/35/50/97/383355097.db2.gz UXPWTMFNPLOWQE-UHFFFAOYSA-N -1 3 276.223 2.692 20 5 CFBDHM CC(C)c1ccc(CN2CC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000263430482 383665779 /nfs/dbraw/zinc/66/57/79/383665779.db2.gz RZKLLRWKVSKVGF-GFCCVEGCSA-N -1 3 292.335 2.625 20 5 CFBDHM Cc1cnc([N-]c2cn(C)nc2C(C)C)c([N+](=O)[O-])c1 ZINC000281138648 195120535 /nfs/dbraw/zinc/12/05/35/195120535.db2.gz ZMIHVRBWWQPHNX-UHFFFAOYSA-N -1 3 275.312 2.899 20 5 CFBDHM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)CCC1CC1 ZINC000276638953 385999543 /nfs/dbraw/zinc/99/95/43/385999543.db2.gz PHTGOTXKYTXLIV-UHFFFAOYSA-N -1 3 298.364 2.753 20 5 CFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783777 393755960 /nfs/dbraw/zinc/75/59/60/393755960.db2.gz PKLGDKDXBIIRBK-IAQYHMDHSA-N -1 3 292.335 2.843 20 5 CFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757529 393756089 /nfs/dbraw/zinc/75/60/89/393756089.db2.gz UOGKWBOKMSKDAE-VXGBXAGGSA-N -1 3 292.335 2.843 20 5 CFBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC000344729972 162111205 /nfs/dbraw/zinc/11/12/05/162111205.db2.gz KXAOXKHKHOBDCT-UHFFFAOYSA-N -1 3 269.307 2.674 20 5 CFBDHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])cc([N+](=O)[O-])c1 ZINC000345926616 162278040 /nfs/dbraw/zinc/27/80/40/162278040.db2.gz MEVAGXXZQDDCNH-UHFFFAOYSA-N -1 3 287.275 2.565 20 5 CFBDHM Cc1c(CN2CCCC[C@@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000038027953 174015531 /nfs/dbraw/zinc/01/55/31/174015531.db2.gz GIPNLDLGDPPGQA-CYBMUJFWSA-N -1 3 292.335 2.732 20 5 CFBDHM C[C@@H]1CCCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000330673683 287298238 /nfs/dbraw/zinc/29/82/38/287298238.db2.gz YSOYDUXBUQUDBH-MFKMUULPSA-N -1 3 264.325 2.969 20 5 CFBDHM C[C@@H](NCc1ncccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000518836834 265109350 /nfs/dbraw/zinc/10/93/50/265109350.db2.gz SDBQWIRBFCXTGL-SNVBAGLBSA-N -1 3 273.292 2.546 20 5 CFBDHM Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000122065984 280625447 /nfs/dbraw/zinc/62/54/47/280625447.db2.gz CGFAUUVPDASBKF-UHFFFAOYSA-N -1 3 298.298 2.812 20 5 CFBDHM CC[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330436468 281081167 /nfs/dbraw/zinc/08/11/67/281081167.db2.gz RAXOSIGCTLBXIY-NSHDSACASA-N -1 3 250.298 2.675 20 5 CFBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000533997849 281477128 /nfs/dbraw/zinc/47/71/28/281477128.db2.gz RTOVFQIQLLWJBD-UHFFFAOYSA-N -1 3 295.682 2.545 20 5 CFBDHM C[C@@H]1C[C@H](C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339003191 297363918 /nfs/dbraw/zinc/36/39/18/297363918.db2.gz FXEYDZXNRZMBNF-VHSXEESVSA-N -1 3 250.298 2.531 20 5 CFBDHM Cc1ccc([O-])c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000033814878 329307812 /nfs/dbraw/zinc/30/78/12/329307812.db2.gz YWARUKQJECRPOH-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM CCO[N-]C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000160124386 529086960 /nfs/dbraw/zinc/08/69/60/529086960.db2.gz HHFKJIRNBSVJPX-UHFFFAOYSA-N -1 3 293.201 2.687 20 5 CFBDHM CCC(CC)CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736346114 574364026 /nfs/dbraw/zinc/36/40/26/574364026.db2.gz RAUIXJODCFKHGB-UHFFFAOYSA-N -1 3 290.327 2.623 20 5 CFBDHM CCC(CC)CNc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736346114 574364028 /nfs/dbraw/zinc/36/40/28/574364028.db2.gz RAUIXJODCFKHGB-UHFFFAOYSA-N -1 3 290.327 2.623 20 5 CFBDHM O=c1[n-]ccc(NCC[C@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000897236404 619956253 /nfs/dbraw/zinc/95/62/53/619956253.db2.gz IIYCKLDODWGAJW-MRVPVSSYSA-N -1 3 287.266 2.933 20 5 CFBDHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])[N-]OCC1CC1 ZINC000820479083 622685001 /nfs/dbraw/zinc/68/50/01/622685001.db2.gz RPXQOFLXYVRZAI-UHFFFAOYSA-N -1 3 298.726 2.639 20 5 CFBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccncc1F ZINC000078075974 626208459 /nfs/dbraw/zinc/20/84/59/626208459.db2.gz YSAOSBFSQLMASA-UHFFFAOYSA-N -1 3 297.192 2.659 20 5 CFBDHM O=C([N-]OCCC1CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000817383264 632618265 /nfs/dbraw/zinc/61/82/65/632618265.db2.gz IKBJQQIPTCAGPW-UHFFFAOYSA-N -1 3 284.699 2.710 20 5 CFBDHM Cc1ccc(CN2CCCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000872159875 641680586 /nfs/dbraw/zinc/68/05/86/641680586.db2.gz RPDLOBUKXULLAT-CYBMUJFWSA-N -1 3 292.335 2.732 20 5 CFBDHM O=c1[n-]ccc(NCC[C@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000882799137 645460584 /nfs/dbraw/zinc/46/05/84/645460584.db2.gz QOWNLFODMCCLAG-MRVPVSSYSA-N -1 3 287.266 2.933 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCc2cc(F)ccc21 ZINC001225664352 775546833 /nfs/dbraw/zinc/54/68/33/775546833.db2.gz NMHHFPDCYHGCAA-LBPRGKRZSA-N -1 3 290.250 2.901 20 5 CFBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1F ZINC001225662061 775547838 /nfs/dbraw/zinc/54/78/38/775547838.db2.gz QNNUPQJEZMYHSH-QMMMGPOBSA-N -1 3 278.239 2.975 20 5 CFBDHM Cc1cc2[n-]c(O[C@H]3CCO[C@@H](C)C3)nc2cc1[N+](=O)[O-] ZINC001228674600 776561967 /nfs/dbraw/zinc/56/19/67/776561967.db2.gz JYSWUJHYDOUBOG-UWVGGRQHSA-N -1 3 291.307 2.726 20 5 CFBDHM Cc1cc2[n-]c(OC[C@H]3CCCCO3)nc2cc1[N+](=O)[O-] ZINC001228674657 776562063 /nfs/dbraw/zinc/56/20/63/776562063.db2.gz KTOMYULYJXDBQE-SNVBAGLBSA-N -1 3 291.307 2.727 20 5 CFBDHM CCO[C@@H](C)COc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228674595 776562585 /nfs/dbraw/zinc/56/25/85/776562585.db2.gz JYMKWURMIBXVIP-VIFPVBQESA-N -1 3 279.296 2.583 20 5 CFBDHM Cc1cc2[n-]c(O[C@@H](C)c3cncnc3)nc2cc1[N+](=O)[O-] ZINC001228676039 776564160 /nfs/dbraw/zinc/56/41/60/776564160.db2.gz VHGNCFMDKANVQP-VIFPVBQESA-N -1 3 299.290 2.710 20 5 CFBDHM CCCC[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228684899 776567991 /nfs/dbraw/zinc/56/79/91/776567991.db2.gz AUFNVTGLCREPGM-QMMMGPOBSA-N -1 3 254.286 2.961 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)C2CCCC2)c1[N+](=O)[O-] ZINC001228689981 776569020 /nfs/dbraw/zinc/56/90/20/776569020.db2.gz YPDPSXZNUMOXPU-VIFPVBQESA-N -1 3 266.297 2.961 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC001228687611 776569509 /nfs/dbraw/zinc/56/95/09/776569509.db2.gz ZALGVBOFYHZKMJ-VXNVDRBHSA-N -1 3 252.270 2.571 20 5 CFBDHM COC(C)(C)C[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689302 776569622 /nfs/dbraw/zinc/56/96/22/776569622.db2.gz QYYCYESCZZRDOM-QMMMGPOBSA-N -1 3 284.312 2.586 20 5 CFBDHM Cc1csc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000714048393 777897015 /nfs/dbraw/zinc/89/70/15/777897015.db2.gz REVKBNMIXMYBND-UHFFFAOYSA-N -1 3 281.268 2.751 20 5 CFBDHM Cc1ccccc1[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596105738 349795748 /nfs/dbraw/zinc/79/57/48/349795748.db2.gz MTUZZIMVGYCBOF-LBPRGKRZSA-N -1 3 299.330 2.998 20 5 CFBDHM CC(C)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596136851 349804458 /nfs/dbraw/zinc/80/44/58/349804458.db2.gz FRMONBJXQMVJNG-UHFFFAOYSA-N -1 3 265.313 2.568 20 5 CFBDHM C[C@]1(c2ccccc2)C[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596143064 349806309 /nfs/dbraw/zinc/80/63/09/349806309.db2.gz XFVBGOOVCHKZNP-SWLSCSKDSA-N -1 3 285.303 2.838 20 5 CFBDHM C[C@@]1(c2ccccc2)C[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596143057 349806478 /nfs/dbraw/zinc/80/64/78/349806478.db2.gz XFVBGOOVCHKZNP-DOMZBBRYSA-N -1 3 285.303 2.838 20 5 CFBDHM C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000596172078 349817047 /nfs/dbraw/zinc/81/70/47/349817047.db2.gz JAPPFOROBVRUSG-UWVGGRQHSA-N -1 3 265.313 2.568 20 5 CFBDHM Cc1cnc([C@@H](C)CNc2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596199608 349825688 /nfs/dbraw/zinc/82/56/88/349825688.db2.gz TYOGBKOXQZKYOS-ZETCQYMHSA-N -1 3 294.336 2.676 20 5 CFBDHM O=c1[n-]ccc(SCCC(F)(F)F)c1[N+](=O)[O-] ZINC000596216043 349829439 /nfs/dbraw/zinc/82/94/39/349829439.db2.gz CALWPQBQIXFWFQ-UHFFFAOYSA-N -1 3 268.216 2.740 20 5 CFBDHM Cc1ccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1C ZINC000596454508 349907153 /nfs/dbraw/zinc/90/71/53/349907153.db2.gz RDNUEULOQOSOFW-UHFFFAOYSA-N -1 3 287.319 2.967 20 5 CFBDHM Cc1cc(C)cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000016494298 346238207 /nfs/dbraw/zinc/23/82/07/346238207.db2.gz DLASISWZOXSJJC-UHFFFAOYSA-N -1 3 287.275 2.565 20 5 CFBDHM CCCc1csc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000127581511 187318377 /nfs/dbraw/zinc/31/83/77/187318377.db2.gz ZIISTYXKDGEEGE-UHFFFAOYSA-N -1 3 281.293 2.849 20 5 CFBDHM C[C@@H]1[C@@H](C)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000091859225 347601483 /nfs/dbraw/zinc/60/14/83/347601483.db2.gz LEZNYYTZHDZJGR-VHSXEESVSA-N -1 3 250.298 2.531 20 5 CFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783683 179332005 /nfs/dbraw/zinc/33/20/05/179332005.db2.gz SNRGZBQQLIUHGV-XHDPSFHLSA-N -1 3 292.335 2.843 20 5 CFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227832003 348191090 /nfs/dbraw/zinc/19/10/90/348191090.db2.gz SNRGZBQQLIUHGV-ABAIWWIYSA-N -1 3 292.335 2.843 20 5 CFBDHM CC(C)n1cc([N-]c2ncc(F)cc2[N+](=O)[O-])cn1 ZINC000401241234 348578165 /nfs/dbraw/zinc/57/81/65/348578165.db2.gz TUSBOUQQVNBJRM-UHFFFAOYSA-N -1 3 265.248 2.650 20 5 CFBDHM C[C@@H]1C[C@@H](C)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593738084 349317175 /nfs/dbraw/zinc/31/71/75/349317175.db2.gz MNJLAIZHKZQVAF-NXEZZACHSA-N -1 3 278.308 2.523 20 5 CFBDHM O=C([N-]c1nccs1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000109738187 304018888 /nfs/dbraw/zinc/01/88/88/304018888.db2.gz HJVJJTOOWLJANS-UHFFFAOYSA-N -1 3 283.696 2.957 20 5 CFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[N-]OCC(C)C ZINC000160895489 188497569 /nfs/dbraw/zinc/49/75/69/188497569.db2.gz QJTALJUUVVVMCS-UHFFFAOYSA-N -1 3 281.312 2.921 20 5 CFBDHM Cc1ccc([O-])c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000012021361 371941581 /nfs/dbraw/zinc/94/15/81/371941581.db2.gz STAZEYQNNAOHHB-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM COc1cccc(C(=O)Nc2ccccc2[O-])c1[N+](=O)[O-] ZINC000028649060 372369173 /nfs/dbraw/zinc/36/91/73/372369173.db2.gz XXHGMKNEBHHDMQ-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM Cc1c(CN2CCC(C)(C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000062844093 373767092 /nfs/dbraw/zinc/76/70/92/373767092.db2.gz VSORQRAHMQVNPG-UHFFFAOYSA-N -1 3 292.335 2.590 20 5 CFBDHM C[C@@H]1C[C@@H](C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330558833 378583921 /nfs/dbraw/zinc/58/39/21/378583921.db2.gz AJROTDPBQFMUNI-GHMZBOCLSA-N -1 3 264.325 2.778 20 5 CFBDHM Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1[O-] ZINC000180880774 380708404 /nfs/dbraw/zinc/70/84/04/380708404.db2.gz YFSQPQQATGZLKN-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cncs1 ZINC000341649498 381149274 /nfs/dbraw/zinc/14/92/74/381149274.db2.gz WLFSWCDXMRZJSB-UHFFFAOYSA-N -1 3 293.304 2.702 20 5 CFBDHM Cc1ccc([N+](=O)[O-])c(NCc2ncccc2[O-])c1 ZINC000359893463 381663322 /nfs/dbraw/zinc/66/33/22/381663322.db2.gz AIGDBMICKPTAHO-UHFFFAOYSA-N -1 3 259.265 2.616 20 5 CFBDHM O=[N+]([O-])c1ccc(NCc2ncccc2[O-])c2ncccc12 ZINC000359906841 381669631 /nfs/dbraw/zinc/66/96/31/381669631.db2.gz FSXCIYMJPXHVOQ-UHFFFAOYSA-N -1 3 296.286 2.856 20 5 CFBDHM Cc1ccc([O-])c(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)c1 ZINC000291057792 381650365 /nfs/dbraw/zinc/65/03/65/381650365.db2.gz JLYUTCMSTRLOOH-UHFFFAOYSA-N -1 3 291.307 2.739 20 5 CFBDHM Cc1cc([N+](=O)[O-])cnc1[N-]c1cc(C2CC2)n(C)n1 ZINC000291155112 381686525 /nfs/dbraw/zinc/68/65/25/381686525.db2.gz PJJQUBGBDLEBAP-UHFFFAOYSA-N -1 3 273.296 2.653 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000293587736 382185740 /nfs/dbraw/zinc/18/57/40/382185740.db2.gz BHZDVDWKUATDSU-MRVPVSSYSA-N -1 3 286.715 2.956 20 5 CFBDHM O=[N+]([O-])c1ccccc1CNCc1c(F)ccc([O-])c1F ZINC000352148008 382194993 /nfs/dbraw/zinc/19/49/93/382194993.db2.gz CPPORSJIFHVPQL-UHFFFAOYSA-N -1 3 294.257 2.868 20 5 CFBDHM O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cccc([O-])c1 ZINC000352184253 382210571 /nfs/dbraw/zinc/21/05/71/382210571.db2.gz OFLLAXSNNVPOGY-UHFFFAOYSA-N -1 3 276.223 2.692 20 5 CFBDHM COc1cc([O-])cc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000352448641 382338535 /nfs/dbraw/zinc/33/85/35/382338535.db2.gz IYVKSDKIXHDNPI-UHFFFAOYSA-N -1 3 294.288 2.623 20 5 CFBDHM O=C([N-]c1csc2ccccc12)c1n[nH]cc1[N+](=O)[O-] ZINC000352713726 382456811 /nfs/dbraw/zinc/45/68/11/382456811.db2.gz PFZZCNFRVFPBML-UHFFFAOYSA-N -1 3 288.288 2.785 20 5 CFBDHM Cc1cc(=O)[n-]c(C=Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000339116005 383154674 /nfs/dbraw/zinc/15/46/74/383154674.db2.gz JYNYKERREZAORL-DAXSKMNVSA-N -1 3 257.249 2.569 20 5 CFBDHM Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000572100584 383754670 /nfs/dbraw/zinc/75/46/70/383754670.db2.gz MGBVMAHDYMGQPQ-GFCCVEGCSA-N -1 3 292.335 2.590 20 5 CFBDHM Cc1c(CN(C[C@@H](C)C(=O)[O-])C2CC2)cccc1[N+](=O)[O-] ZINC000573452288 383932474 /nfs/dbraw/zinc/93/24/74/383932474.db2.gz JMKSWYOXNZIJSX-SNVBAGLBSA-N -1 3 292.335 2.588 20 5 CFBDHM Cc1ccc([C@H](C)[N-]C(=O)C(C)(F)F)cc1[N+](=O)[O-] ZINC000289332279 197300039 /nfs/dbraw/zinc/30/00/39/197300039.db2.gz YEYKSJAHCCWRTQ-QMMMGPOBSA-N -1 3 272.251 2.736 20 5 CFBDHM Cc1ccc([O-])c(CN(C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000271078321 385330739 /nfs/dbraw/zinc/33/07/39/385330739.db2.gz PWFGZFOYEUUKAK-UHFFFAOYSA-N -1 3 287.319 2.636 20 5 CFBDHM O=c1[n-]c(-c2ncccn2)nc2cc3ccccc3cc21 ZINC000125397803 285194440 /nfs/dbraw/zinc/19/44/40/285194440.db2.gz HXGIOIZHYAVZOW-UHFFFAOYSA-N -1 3 274.283 2.533 20 5 CFBDHM O=[N+]([O-])c1cc(Cl)cnc1[N-]c1cnn(CC2CC2)c1 ZINC000178838356 393449442 /nfs/dbraw/zinc/44/94/42/393449442.db2.gz ZAHLCPPHEQHZER-UHFFFAOYSA-N -1 3 293.714 2.993 20 5 CFBDHM Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263346004 393961541 /nfs/dbraw/zinc/96/15/41/393961541.db2.gz OQGQOMSETLTTJR-DGCLKSJQSA-N -1 3 292.335 2.588 20 5 CFBDHM Cc1ccc(CN2CCC[C@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000519631059 394372792 /nfs/dbraw/zinc/37/27/92/394372792.db2.gz ATNJOCXEDFTSHY-GFCCVEGCSA-N -1 3 292.335 2.590 20 5 CFBDHM C[C@@H]1[C@H](C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000418120699 397567976 /nfs/dbraw/zinc/56/79/76/397567976.db2.gz CNXKTTBHEFBQNG-MXWKQRLJSA-N -1 3 264.325 2.777 20 5 CFBDHM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc([O-])cc1 ZINC000020578482 171256404 /nfs/dbraw/zinc/25/64/04/171256404.db2.gz LEIIJOJAUNMQLF-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM C[C@@H]1CCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000330414510 287498284 /nfs/dbraw/zinc/49/82/84/287498284.db2.gz TXMJBTFUQSXKSL-BXKDBHETSA-N -1 3 250.298 2.579 20 5 CFBDHM CC(C)c1cccnc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000337559534 276061902 /nfs/dbraw/zinc/06/19/02/276061902.db2.gz JHBVAVLDSTXYIL-UHFFFAOYSA-N -1 3 275.264 2.959 20 5 CFBDHM CC(C)c1ccc(C(=O)[N-]c2nncs2)cc1[N+](=O)[O-] ZINC000190501941 278033713 /nfs/dbraw/zinc/03/37/13/278033713.db2.gz BHZQGMOFLJYNJC-UHFFFAOYSA-N -1 3 292.320 2.822 20 5 CFBDHM CC(=O)c1csc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000068742674 280478183 /nfs/dbraw/zinc/47/81/83/280478183.db2.gz HHPQYMCQNZDDJZ-UHFFFAOYSA-N -1 3 297.317 2.568 20 5 CFBDHM CC[C@H]1CCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000330435199 281085017 /nfs/dbraw/zinc/08/50/17/281085017.db2.gz AQRPBKIAPWGTAJ-GWCFXTLKSA-N -1 3 264.325 2.969 20 5 CFBDHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1ccccc1[N+](=O)[O-] ZINC000565727365 290320853 /nfs/dbraw/zinc/32/08/53/290320853.db2.gz IJKAIQIGEHLVSD-MDZLAQPJSA-N -1 3 292.335 2.668 20 5 CFBDHM O=C([N-]c1ccon1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000755765170 574185903 /nfs/dbraw/zinc/18/59/03/574185903.db2.gz ZMWABVRIDSDPHH-UHFFFAOYSA-N -1 3 273.204 2.581 20 5 CFBDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000826254914 608375649 /nfs/dbraw/zinc/37/56/49/608375649.db2.gz FOBXCOGMFLVLDB-UHFFFAOYSA-N -1 3 297.274 2.876 20 5 CFBDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc([N+](=O)[O-])cc1 ZINC000826254914 608375650 /nfs/dbraw/zinc/37/56/50/608375650.db2.gz FOBXCOGMFLVLDB-UHFFFAOYSA-N -1 3 297.274 2.876 20 5 CFBDHM O=[N+]([O-])c1ccc(Cl)cc1NCc1ncccc1[O-] ZINC000804680144 617800684 /nfs/dbraw/zinc/80/06/84/617800684.db2.gz OEYJTVKDBKOKQX-UHFFFAOYSA-N -1 3 279.683 2.961 20 5 CFBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(C2CCC2)c1 ZINC000897103072 619933387 /nfs/dbraw/zinc/93/33/87/619933387.db2.gz PSTBDSPIAYDLCY-UHFFFAOYSA-N -1 3 259.269 2.655 20 5 CFBDHM O=c1[n-]ccc(NCC[C@@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000897236405 619956174 /nfs/dbraw/zinc/95/61/74/619956174.db2.gz IIYCKLDODWGAJW-QMMMGPOBSA-N -1 3 287.266 2.933 20 5 CFBDHM O=c1ccnc(C=Cc2cc(Cl)ccc2[N+](=O)[O-])[n-]1 ZINC000764436853 627060014 /nfs/dbraw/zinc/06/00/14/627060014.db2.gz VFLAVRJUNAEJSZ-RJRFIUFISA-N -1 3 277.667 2.914 20 5 CFBDHM C[C@H](OC(=O)c1cncc([O-])c1)c1ccccc1[N+](=O)[O-] ZINC000783625879 628727831 /nfs/dbraw/zinc/72/78/31/628727831.db2.gz WGNXKYSQNDHYHJ-VIFPVBQESA-N -1 3 288.259 2.613 20 5 CFBDHM Cc1ccc([O-])c(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000790074234 629208349 /nfs/dbraw/zinc/20/83/49/629208349.db2.gz ZOYFSHDQECURSO-UITAMQMPSA-N -1 3 299.286 2.656 20 5 CFBDHM C[C@@H]1CCC[C@H](C2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000866254586 638781730 /nfs/dbraw/zinc/78/17/30/638781730.db2.gz SOLBCJFXUPAPLC-MNOVXSKESA-N -1 3 291.351 2.958 20 5 CFBDHM O=c1[n-]ccc(NCCC[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC000872692887 641898176 /nfs/dbraw/zinc/89/81/76/641898176.db2.gz CSILHLIISFLTPQ-JTQLQIEISA-N -1 3 263.297 2.854 20 5 CFBDHM CCn1ncc([N-]c2ncc(Cl)cc2[N+](=O)[O-])c1C ZINC000872779148 641933383 /nfs/dbraw/zinc/93/33/83/641933383.db2.gz NPXFSIVZXHGYQU-UHFFFAOYSA-N -1 3 281.703 2.912 20 5 CFBDHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cccc(F)n1 ZINC000127294080 644004274 /nfs/dbraw/zinc/00/42/74/644004274.db2.gz XPWDJSCAYDTHFJ-UHFFFAOYSA-N -1 3 279.202 2.520 20 5 CFBDHM O=c1[n-]ccc(NCC[C@@H]2CCCC2(F)F)c1[N+](=O)[O-] ZINC000882799138 645461073 /nfs/dbraw/zinc/46/10/73/645461073.db2.gz QOWNLFODMCCLAG-QMMMGPOBSA-N -1 3 287.266 2.933 20 5 CFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc([O-])cc1 ZINC000003619105 647833245 /nfs/dbraw/zinc/83/32/45/647833245.db2.gz XVYXVQDTIVYDPG-UHFFFAOYSA-N -1 3 273.244 2.657 20 5 CFBDHM Cc1ccc([C@H](C)Oc2nccc([O-])c2[N+](=O)[O-])cn1 ZINC001225666534 775549046 /nfs/dbraw/zinc/54/90/46/775549046.db2.gz KBAVFSLEUGWCSG-VIFPVBQESA-N -1 3 275.264 2.539 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H](c1cccnc1)C1CC1 ZINC001225668019 775550985 /nfs/dbraw/zinc/55/09/85/775550985.db2.gz XUZVQWICUQHFRY-ZDUSSCGKSA-N -1 3 287.275 2.621 20 5 CFBDHM CC[C@@H](C)[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691883 776259348 /nfs/dbraw/zinc/25/93/48/776259348.db2.gz RPRVUYHPMFUKNU-HTQZYQBOSA-N -1 3 264.285 2.680 20 5 CFBDHM C[C@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001227743530 776276033 /nfs/dbraw/zinc/27/60/33/776276033.db2.gz SAFYKLDCPXADLN-YFKPBYRVSA-N -1 3 275.186 2.801 20 5 CFBDHM C[C@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(F)(F)F ZINC001227743530 776276040 /nfs/dbraw/zinc/27/60/40/776276040.db2.gz SAFYKLDCPXADLN-YFKPBYRVSA-N -1 3 275.186 2.801 20 5 CFBDHM Cc1cc2[n-]c(O[C@H]3CCO[C@H](C)C3)nc2cc1[N+](=O)[O-] ZINC001228674603 776561825 /nfs/dbraw/zinc/56/18/25/776561825.db2.gz JYSWUJHYDOUBOG-ZJUUUORDSA-N -1 3 291.307 2.726 20 5 CFBDHM CCCC[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228684898 776567397 /nfs/dbraw/zinc/56/73/97/776567397.db2.gz AUFNVTGLCREPGM-MRVPVSSYSA-N -1 3 254.286 2.961 20 5 CFBDHM CC[C@@H](C)[C@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689560 776569593 /nfs/dbraw/zinc/56/95/93/776569593.db2.gz UHXISSDIDVDWQH-APPZFPTMSA-N -1 3 254.286 2.817 20 5 CFBDHM C[C@H]1CCCC[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596054892 349782954 /nfs/dbraw/zinc/78/29/54/349782954.db2.gz JEEHAXGVEBXDEB-IUCAKERBSA-N -1 3 251.286 2.686 20 5 CFBDHM CC[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596133581 349803014 /nfs/dbraw/zinc/80/30/14/349803014.db2.gz XJABSKDFIGUUME-JTQLQIEISA-N -1 3 265.313 2.712 20 5 CFBDHM O=c1[n-]ccc(N2CC[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596137349 349805040 /nfs/dbraw/zinc/80/50/40/349805040.db2.gz SCDBDZXFFHOLJJ-CYBMUJFWSA-N -1 3 299.330 2.764 20 5 CFBDHM CC1(C)CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596179812 349818830 /nfs/dbraw/zinc/81/88/30/349818830.db2.gz UDHXBPQQCYXVDS-QMMMGPOBSA-N -1 3 251.286 2.686 20 5 CFBDHM Cc1cccc([C@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596196076 349823850 /nfs/dbraw/zinc/82/38/50/349823850.db2.gz SMEOURFPQUNWIG-ZDUSSCGKSA-N -1 3 299.330 2.998 20 5 CFBDHM CC(C)[C@H]1C[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596255862 349842696 /nfs/dbraw/zinc/84/26/96/349842696.db2.gz ZUVNIMWIEABTBL-CMPLNLGQSA-N -1 3 295.339 2.559 20 5 CFBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(F)(F)F ZINC000596269992 349848497 /nfs/dbraw/zinc/84/84/97/349848497.db2.gz AIMPKXCSVOZJOC-ZCFIWIBFSA-N -1 3 279.218 2.696 20 5 CFBDHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])CC(F)(F)F ZINC000596269991 349848809 /nfs/dbraw/zinc/84/88/09/349848809.db2.gz AIMPKXCSVOZJOC-LURJTMIESA-N -1 3 279.218 2.696 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2CCC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000596270756 349848856 /nfs/dbraw/zinc/84/88/56/349848856.db2.gz ROSQCLKUVNVDMN-GHMZBOCLSA-N -1 3 277.324 2.934 20 5 CFBDHM Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000033816376 346312783 /nfs/dbraw/zinc/31/27/83/346312783.db2.gz POZNHYDSXPQBGO-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])CC(C)(C)C ZINC000092217577 347613037 /nfs/dbraw/zinc/61/30/37/347613037.db2.gz UJVLHSKZBIPMQE-UHFFFAOYSA-N -1 3 252.314 2.778 20 5 CFBDHM O=C([O-])c1cccc(CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000213493150 348161101 /nfs/dbraw/zinc/16/11/01/348161101.db2.gz OBFWVNDJKRRJGQ-UHFFFAOYSA-N -1 3 286.287 2.583 20 5 CFBDHM C[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000593733935 349316317 /nfs/dbraw/zinc/31/63/17/349316317.db2.gz FQQXJGSLKFAQLB-MNOVXSKESA-N -1 3 292.335 2.913 20 5 CFBDHM C[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000593733937 349316378 /nfs/dbraw/zinc/31/63/78/349316378.db2.gz FQQXJGSLKFAQLB-QWRGUYRKSA-N -1 3 292.335 2.913 20 5 CFBDHM CC[C@H]1C[C@@H](C)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738710 349317266 /nfs/dbraw/zinc/31/72/66/349317266.db2.gz KBBAWMJBDGTUCH-MFKMUULPSA-N -1 3 292.335 2.913 20 5 CFBDHM C[C@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC000599171836 350388662 /nfs/dbraw/zinc/38/86/62/350388662.db2.gz LHNWFALYOUSIQE-WOFXILAISA-N -1 3 263.297 2.544 20 5 CFBDHM Cc1nccc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1Cl ZINC000611909696 351750344 /nfs/dbraw/zinc/75/03/44/351750344.db2.gz NURLPBAEFLOZEC-UHFFFAOYSA-N -1 3 297.723 2.687 20 5 CFBDHM CC(C)CON=C([O-])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123362886 187087506 /nfs/dbraw/zinc/08/75/06/187087506.db2.gz PSGZNWZANJNIAB-UHFFFAOYSA-N -1 3 287.703 2.957 20 5 CFBDHM CC(C)CO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000123362886 187087507 /nfs/dbraw/zinc/08/75/07/187087507.db2.gz PSGZNWZANJNIAB-UHFFFAOYSA-N -1 3 287.703 2.957 20 5 CFBDHM O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])[N-]OC1CCCC1 ZINC000492321772 246257539 /nfs/dbraw/zinc/25/75/39/246257539.db2.gz KOCKCURIUNATLN-VURMDHGXSA-N -1 3 294.282 2.738 20 5 CFBDHM COc1c(C(=O)Nc2cccc([O-])c2)cccc1[N+](=O)[O-] ZINC000137561736 378226212 /nfs/dbraw/zinc/22/62/12/378226212.db2.gz FCRPUZBRSQRVQA-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM CCc1csc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000355110604 381617671 /nfs/dbraw/zinc/61/76/71/381617671.db2.gz QEROFCVVXSMUAJ-UHFFFAOYSA-N -1 3 283.334 2.928 20 5 CFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000579591877 383031355 /nfs/dbraw/zinc/03/13/55/383031355.db2.gz RNJYDFASOSVMQL-UHIISALHSA-N -1 3 292.335 2.698 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](C2CC2)C1 ZINC000339060096 383136411 /nfs/dbraw/zinc/13/64/11/383136411.db2.gz SPIADOKBYACCAI-LLVKDONJSA-N -1 3 262.309 2.532 20 5 CFBDHM C[C@@H]1C[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339003187 383117287 /nfs/dbraw/zinc/11/72/87/383117287.db2.gz FXEYDZXNRZMBNF-NXEZZACHSA-N -1 3 250.298 2.531 20 5 CFBDHM O=C([O-])[C@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263431673 383665965 /nfs/dbraw/zinc/66/59/65/383665965.db2.gz SIEQQSNHDUPWRB-HZRUHFOJSA-N -1 3 290.319 2.547 20 5 CFBDHM CC(F)(F)C(=O)[N-]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289259885 197278145 /nfs/dbraw/zinc/27/81/45/197278145.db2.gz QJLPFKQFJNYVQH-UHFFFAOYSA-N -1 3 278.642 2.520 20 5 CFBDHM O=[N+]([O-])c1cnc([N-]c2ccc3ncsc3c2)nc1 ZINC000302163253 285183933 /nfs/dbraw/zinc/18/39/33/285183933.db2.gz QDRJEAAXDCKRNA-UHFFFAOYSA-N -1 3 273.277 2.738 20 5 CFBDHM Cc1cccc(C(=O)NCc2ccccc2[N+](=O)[O-])c1[O-] ZINC000125874205 394015794 /nfs/dbraw/zinc/01/57/94/394015794.db2.gz RMCPVPXAQPXFQY-UHFFFAOYSA-N -1 3 286.287 2.539 20 5 CFBDHM Cc1sc(C(=O)Nc2nc(C)ccc2[O-])cc1[N+](=O)[O-] ZINC000345919740 162276136 /nfs/dbraw/zinc/27/61/36/162276136.db2.gz CATNJSPFEIZEGL-UHFFFAOYSA-N -1 3 293.304 2.626 20 5 CFBDHM CC[C@H]1C[C@H](C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330456460 288350583 /nfs/dbraw/zinc/35/05/83/288350583.db2.gz PDMCQCPKCKCWAM-JQWIXIFHSA-N -1 3 264.325 2.921 20 5 CFBDHM Cc1c([N-]c2nc3c(cc2[N+](=O)[O-])CCCC3)cnn1C ZINC000581940336 325161079 /nfs/dbraw/zinc/16/10/79/325161079.db2.gz GHOBOTNGLJRRDO-UHFFFAOYSA-N -1 3 287.323 2.654 20 5 CFBDHM CC(C)(C)n1cc([N-]c2ncc([N+](=O)[O-])cc2F)cn1 ZINC000413104321 526928708 /nfs/dbraw/zinc/92/87/08/526928708.db2.gz XDZWPWUWCSNUKJ-UHFFFAOYSA-N -1 3 279.275 2.824 20 5 CFBDHM Cc1ncc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)s1 ZINC000339191959 527244213 /nfs/dbraw/zinc/24/42/13/527244213.db2.gz GKJTUJMQKXBAFH-UHFFFAOYSA-N -1 3 281.268 2.751 20 5 CFBDHM Cc1ncsc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000339193536 527482545 /nfs/dbraw/zinc/48/25/45/527482545.db2.gz HLBIAOYGQSGUQN-UHFFFAOYSA-N -1 3 281.268 2.751 20 5 CFBDHM O=C([O-])CCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000050926274 527574759 /nfs/dbraw/zinc/57/47/59/527574759.db2.gz ULGSJTHMXUOGDH-UHFFFAOYSA-N -1 3 292.335 2.672 20 5 CFBDHM CN(Cc1c(F)cccc1[N+](=O)[O-])C1(C(=O)[O-])CCCC1 ZINC000830806599 604457836 /nfs/dbraw/zinc/45/78/36/604457836.db2.gz RRZCSADJUXVARC-UHFFFAOYSA-N -1 3 296.298 2.563 20 5 CFBDHM CC(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824230053 607731271 /nfs/dbraw/zinc/73/12/71/607731271.db2.gz YSVHMSXJMMNSNS-VIFPVBQESA-N -1 3 290.327 2.621 20 5 CFBDHM CC(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824230053 607731273 /nfs/dbraw/zinc/73/12/73/607731273.db2.gz YSVHMSXJMMNSNS-VIFPVBQESA-N -1 3 290.327 2.621 20 5 CFBDHM O=C([O-])CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000901971294 620948173 /nfs/dbraw/zinc/94/81/73/620948173.db2.gz HNUIOXGROYZUBS-UHFFFAOYSA-N -1 3 298.726 2.687 20 5 CFBDHM O=c1ccnc(C=Cc2ccc(Cl)c([N+](=O)[O-])c2)[n-]1 ZINC000742220214 626481209 /nfs/dbraw/zinc/48/12/09/626481209.db2.gz LIIUJEGYVNTRLG-RQOWECAXSA-N -1 3 277.667 2.914 20 5 CFBDHM Cc1c([N-]C(=O)c2cccnc2F)c(F)ccc1[N+](=O)[O-] ZINC000808807724 631052475 /nfs/dbraw/zinc/05/24/75/631052475.db2.gz DYOSXCZGWKIBHC-UHFFFAOYSA-N -1 3 293.229 2.829 20 5 CFBDHM CCn1ncc([N-]c2nc(C)ccc2[N+](=O)[O-])c1C ZINC000872778092 641931109 /nfs/dbraw/zinc/93/11/09/641931109.db2.gz AGXJPCVJXFLVOD-UHFFFAOYSA-N -1 3 261.285 2.567 20 5 CFBDHM O=[N+]([O-])c1cc(F)ccc1[N-]c1nccnc1Cl ZINC001210950657 770404330 /nfs/dbraw/zinc/40/43/30/770404330.db2.gz ZNZDGJISDWFXSR-UHFFFAOYSA-N -1 3 268.635 2.921 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CC2CCC1CC2 ZINC001225665475 775548484 /nfs/dbraw/zinc/54/84/84/775548484.db2.gz AKGKUXYPCBSSNM-NWGYLPEXSA-N -1 3 264.281 2.653 20 5 CFBDHM CC[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C(C)(C)C ZINC001225667333 775548584 /nfs/dbraw/zinc/54/85/84/775548584.db2.gz RGYLENRSVAZFCA-SECBINFHSA-N -1 3 254.286 2.899 20 5 CFBDHM CC1(C)CC(Oc2nccc([O-])c2[N+](=O)[O-])CC(C)(C)O1 ZINC001225664717 775549360 /nfs/dbraw/zinc/54/93/60/775549360.db2.gz RYSCAWMZFHOOIW-UHFFFAOYSA-N -1 3 296.323 2.810 20 5 CFBDHM Cc1c(=O)[n-]cnc1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001226076776 775690699 /nfs/dbraw/zinc/69/06/99/775690699.db2.gz ORRYNPJHBZVRIH-SECBINFHSA-N -1 3 275.264 2.539 20 5 CFBDHM O=[N+]([O-])c1cccc([O-])c1O[C@@H]1COCc2ccccc21 ZINC001226334411 775782988 /nfs/dbraw/zinc/78/29/88/775782988.db2.gz ULBKMCTVHFWLCG-CQSZACIVSA-N -1 3 287.271 2.951 20 5 CFBDHM CCc1nc(O[C@@H](C)c2ccccc2[N+](=O)[O-])cc(=O)[n-]1 ZINC001226475943 775839287 /nfs/dbraw/zinc/83/92/87/775839287.db2.gz OVIKSHGHYIUHRS-VIFPVBQESA-N -1 3 289.291 2.793 20 5 CFBDHM C[C@@H](Cc1ccccc1)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691015 776258658 /nfs/dbraw/zinc/25/86/58/776258658.db2.gz LTSREGOFWKIMDM-JTQLQIEISA-N -1 3 298.302 2.876 20 5 CFBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3C=CCCC3)[n-]c2c1 ZINC001227745794 776276615 /nfs/dbraw/zinc/27/66/15/776276615.db2.gz OKNRATVRWRADBR-SNVBAGLBSA-N -1 3 259.265 2.959 20 5 CFBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3C=CCCC3)nc2c1 ZINC001227745794 776276619 /nfs/dbraw/zinc/27/66/19/776276619.db2.gz OKNRATVRWRADBR-SNVBAGLBSA-N -1 3 259.265 2.959 20 5 CFBDHM Cc1cc2[n-]c(O[C@@H](C)C3CC3)nc2cc1[N+](=O)[O-] ZINC001228672133 776562676 /nfs/dbraw/zinc/56/26/76/776562676.db2.gz PRFFGFUIMGVRKU-QMMMGPOBSA-N -1 3 261.281 2.957 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)C2CCC2)c1[N+](=O)[O-] ZINC001228685585 776567849 /nfs/dbraw/zinc/56/78/49/776567849.db2.gz ILVDQMMYPRZDCC-QMMMGPOBSA-N -1 3 252.270 2.571 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H](C)C2CCC2)c1[N+](=O)[O-] ZINC001228685584 776567900 /nfs/dbraw/zinc/56/79/00/776567900.db2.gz ILVDQMMYPRZDCC-MRVPVSSYSA-N -1 3 252.270 2.571 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC001228687835 776569672 /nfs/dbraw/zinc/56/96/72/776569672.db2.gz CCIRRYHLYRPPMY-ZETCQYMHSA-N -1 3 274.223 2.570 20 5 CFBDHM CC(C)C[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692767 777864046 /nfs/dbraw/zinc/86/40/46/777864046.db2.gz CJZZDGHZTFMLPM-MRVPVSSYSA-N -1 3 264.285 2.680 20 5 CFBDHM C[C@@H](Cc1ccsc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596088558 349791119 /nfs/dbraw/zinc/79/11/19/349791119.db2.gz UPCVNSZCCKONRS-QMMMGPOBSA-N -1 3 279.321 2.800 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC000596120810 349798678 /nfs/dbraw/zinc/79/86/78/349798678.db2.gz SVXKZRPIOGSCOP-LLVKDONJSA-N -1 3 285.303 2.837 20 5 CFBDHM O=c1[n-]ccc(N2CCC3(C2)CCCCC3)c1[N+](=O)[O-] ZINC000596136862 349804671 /nfs/dbraw/zinc/80/46/71/349804671.db2.gz GARVWTKBRCPFBP-UHFFFAOYSA-N -1 3 277.324 2.856 20 5 CFBDHM Cc1cccc(C)c1CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596169831 349816355 /nfs/dbraw/zinc/81/63/55/349816355.db2.gz WPIXRNTUZONYOJ-UHFFFAOYSA-N -1 3 287.319 2.967 20 5 CFBDHM CCC(CC)[C@@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])OC ZINC000596170000 349816415 /nfs/dbraw/zinc/81/64/15/349816415.db2.gz NRKYVTQPCRBKPN-GFCCVEGCSA-N -1 3 297.355 2.949 20 5 CFBDHM Cc1csc([C@@H](C)CNc2cc[n-]c(=O)c2[N+](=O)[O-])n1 ZINC000596196657 349824782 /nfs/dbraw/zinc/82/47/82/349824782.db2.gz XMJRSSSRECBMRK-ZETCQYMHSA-N -1 3 294.336 2.676 20 5 CFBDHM C[C@@H]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000596198932 349824914 /nfs/dbraw/zinc/82/49/14/349824914.db2.gz OLOVHLRTSZIVAM-OPRDCNLKSA-N -1 3 265.313 2.932 20 5 CFBDHM CN(CC1(c2ccccc2)CC1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596201860 349825725 /nfs/dbraw/zinc/82/57/25/349825725.db2.gz JWNWCEBARWQOHP-UHFFFAOYSA-N -1 3 299.330 2.863 20 5 CFBDHM Cc1ccc(C)c(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596209915 349827939 /nfs/dbraw/zinc/82/79/39/349827939.db2.gz IYDCYYMARIFSKY-UHFFFAOYSA-N -1 3 287.319 2.949 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2C[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000596274621 349850256 /nfs/dbraw/zinc/85/02/56/349850256.db2.gz BFYAJXGNTVTSMO-UWVGGRQHSA-N -1 3 263.297 2.544 20 5 CFBDHM O=C(Nc1ccccc1[O-])c1ccc([N+](=O)[O-])s1 ZINC000016483037 346238702 /nfs/dbraw/zinc/23/87/02/346238702.db2.gz CQGITIYVVZXDKP-UHFFFAOYSA-N -1 3 264.262 2.614 20 5 CFBDHM CCCn1cc([N-]c2nccc(C)c2[N+](=O)[O-])cn1 ZINC000078472745 347255621 /nfs/dbraw/zinc/25/56/21/347255621.db2.gz HTIAWOJZDRFXDR-UHFFFAOYSA-N -1 3 261.285 2.648 20 5 CFBDHM CC(C)Cn1cc([N-]c2ncccc2[N+](=O)[O-])cn1 ZINC000078521938 347260173 /nfs/dbraw/zinc/26/01/73/347260173.db2.gz BJERGMFTJZRQKD-UHFFFAOYSA-N -1 3 261.285 2.586 20 5 CFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)(C(=O)[O-])CC1 ZINC000086777122 347489020 /nfs/dbraw/zinc/48/90/20/347489020.db2.gz PUSVBDOCFMRSLV-NSHDSACASA-N -1 3 292.335 2.843 20 5 CFBDHM CC[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000091929147 347603720 /nfs/dbraw/zinc/60/37/20/347603720.db2.gz IKGZAGFAKOOQLK-JTQLQIEISA-N -1 3 250.298 2.532 20 5 CFBDHM C[C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000092586116 347633638 /nfs/dbraw/zinc/63/36/38/347633638.db2.gz CUDXDUFSIBAROS-LLVKDONJSA-N -1 3 264.325 2.922 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN(CC1CC1)CC1CC1 ZINC000093480031 347674927 /nfs/dbraw/zinc/67/49/27/347674927.db2.gz YVSYMGRTGPGRFB-UHFFFAOYSA-N -1 3 276.336 2.922 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC2(CC2)CC1 ZINC000590169328 348881837 /nfs/dbraw/zinc/88/18/37/348881837.db2.gz PHMVLULUMWADPF-UHFFFAOYSA-N -1 3 262.309 2.676 20 5 CFBDHM C[C@H]1C[C@H](C)CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593730090 349315594 /nfs/dbraw/zinc/31/55/94/349315594.db2.gz COCWSWMHYMPPRJ-QWRGUYRKSA-N -1 3 292.335 2.771 20 5 CFBDHM CCC[C@H](C)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740463 349317812 /nfs/dbraw/zinc/31/78/12/349317812.db2.gz MNGYLFILHVNPRU-JTQLQIEISA-N -1 3 280.324 2.913 20 5 CFBDHM CC[C@@H](C)CON=C([O-])Nc1cc([N+](=O)[O-])ccc1OC ZINC000291724681 198070992 /nfs/dbraw/zinc/07/09/92/198070992.db2.gz HREYYOUEPFGBAX-SECBINFHSA-N -1 3 297.311 2.703 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000291724681 198070994 /nfs/dbraw/zinc/07/09/94/198070994.db2.gz HREYYOUEPFGBAX-SECBINFHSA-N -1 3 297.311 2.703 20 5 CFBDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ncccc2[N+](=O)[O-])n1 ZINC000154638926 188155435 /nfs/dbraw/zinc/15/54/35/188155435.db2.gz BECVUJSSNZAEBV-MRVPVSSYSA-N -1 3 292.320 2.647 20 5 CFBDHM O=C([N-]OCC1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000292719073 198387637 /nfs/dbraw/zinc/38/76/37/198387637.db2.gz HRPQLRNBPAYZDL-UHFFFAOYSA-N -1 3 285.687 2.711 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000293815427 198784208 /nfs/dbraw/zinc/78/42/08/198784208.db2.gz UOWQVEAWXZCNEO-MRVPVSSYSA-N -1 3 286.715 2.956 20 5 CFBDHM CCc1ccc([N+](=O)[O-])cc1NC([O-])=NOC(C)C ZINC000297303543 200141838 /nfs/dbraw/zinc/14/18/38/200141838.db2.gz GFHSCSJSDFRAKD-UHFFFAOYSA-N -1 3 267.285 2.619 20 5 CFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC(C)C ZINC000297303543 200141840 /nfs/dbraw/zinc/14/18/40/200141840.db2.gz GFHSCSJSDFRAKD-UHFFFAOYSA-N -1 3 267.285 2.619 20 5 CFBDHM O=C(Nc1ccc2ccoc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000443674760 241085636 /nfs/dbraw/zinc/08/56/36/241085636.db2.gz PBTOBZAWCAFKNN-UHFFFAOYSA-N -1 3 299.242 2.694 20 5 CFBDHM O=C(/C=C/c1cccc([N+](=O)[O-])c1)[N-]OC1CCCCC1 ZINC000492746281 246374666 /nfs/dbraw/zinc/37/46/66/246374666.db2.gz BKMNHMDDENIRGX-MDZDMXLPSA-N -1 3 290.319 2.989 20 5 CFBDHM Cc1ccc([O-])c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000112716684 375954302 /nfs/dbraw/zinc/95/43/02/375954302.db2.gz JBMPJVSDYIGMJC-NSHDSACASA-N -1 3 287.319 2.855 20 5 CFBDHM Cc1cccc([O-])c1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000179563591 380556194 /nfs/dbraw/zinc/55/61/94/380556194.db2.gz QGGZQHNCZCLPHL-UHFFFAOYSA-N -1 3 286.287 2.790 20 5 CFBDHM CCc1nc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)c(C)o1 ZINC000341580258 381100307 /nfs/dbraw/zinc/10/03/07/381100307.db2.gz AEEQNHSMEPLNEF-UHFFFAOYSA-N -1 3 293.254 2.845 20 5 CFBDHM CCc1onc(C)c1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000347983032 381445021 /nfs/dbraw/zinc/44/50/21/381445021.db2.gz OOOALYKBVVZOFT-UHFFFAOYSA-N -1 3 293.254 2.845 20 5 CFBDHM COc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000352041378 382145005 /nfs/dbraw/zinc/14/50/05/382145005.db2.gz XXJWYJUNUHAECQ-GQCTYLIASA-N -1 3 287.275 2.578 20 5 CFBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]OC1CCCC1 ZINC000382955876 382538610 /nfs/dbraw/zinc/53/86/10/382538610.db2.gz NEQCVDWIXOHTGZ-HJWRWDBZSA-N -1 3 276.292 2.598 20 5 CFBDHM C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000339060004 383136362 /nfs/dbraw/zinc/13/63/62/383136362.db2.gz LPKMGJAQMIWKDS-WDEREUQCSA-N -1 3 264.325 2.778 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CC2CCC1CC2 ZINC000339226669 383185217 /nfs/dbraw/zinc/18/52/17/383185217.db2.gz CRUGJYPZTYXJSU-QIMFLAQGSA-N -1 3 276.336 2.969 20 5 CFBDHM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2[O-])c1 ZINC000340123419 383360105 /nfs/dbraw/zinc/36/01/05/383360105.db2.gz QOMNCYFFIVSKTF-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM O=C([O-])[C@@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263431672 383665877 /nfs/dbraw/zinc/66/58/77/383665877.db2.gz SIEQQSNHDUPWRB-DYLGSBMWSA-N -1 3 290.319 2.547 20 5 CFBDHM Cc1c(CN(C[C@H](C)C(=O)[O-])C2CC2)cccc1[N+](=O)[O-] ZINC000573452287 383933169 /nfs/dbraw/zinc/93/31/69/383933169.db2.gz JMKSWYOXNZIJSX-JTQLQIEISA-N -1 3 292.335 2.588 20 5 CFBDHM O=C([N-]c1cc(F)ccc1F)c1ccc([N+](=O)[O-])cn1 ZINC000532144448 383984091 /nfs/dbraw/zinc/98/40/91/383984091.db2.gz LXTZIVYGLUWQIH-UHFFFAOYSA-N -1 3 279.202 2.520 20 5 CFBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccco2)[n-]n1 ZINC000028266583 393499221 /nfs/dbraw/zinc/49/92/21/393499221.db2.gz SBEASCVISYHKCX-UHFFFAOYSA-N -1 3 298.258 2.830 20 5 CFBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2ccco2)n[n-]1 ZINC000028266583 393499225 /nfs/dbraw/zinc/49/92/25/393499225.db2.gz SBEASCVISYHKCX-UHFFFAOYSA-N -1 3 298.258 2.830 20 5 CFBDHM O=c1[nH]c(Cc2ccc([N+](=O)[O-])cc2)nc2ccc([O-])cc12 ZINC000436908936 394033953 /nfs/dbraw/zinc/03/39/53/394033953.db2.gz KEMMCAKWCGKYDG-UHFFFAOYSA-N -1 3 297.270 2.540 20 5 CFBDHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000535420483 394534946 /nfs/dbraw/zinc/53/49/46/394534946.db2.gz QBQRRFPEGZXNHE-UHFFFAOYSA-N -1 3 295.682 2.545 20 5 CFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(C)on1 ZINC000546665070 394836775 /nfs/dbraw/zinc/83/67/75/394836775.db2.gz IMUNAPMITBVNKH-UHFFFAOYSA-N -1 3 291.263 2.542 20 5 CFBDHM CCc1noc(C)c1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000347985179 162812919 /nfs/dbraw/zinc/81/29/19/162812919.db2.gz QWCZHLBMDLJGEU-UHFFFAOYSA-N -1 3 293.254 2.845 20 5 CFBDHM Cc1ncsc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000351664104 163170276 /nfs/dbraw/zinc/17/02/76/163170276.db2.gz DXZSKGIMRBILEM-UHFFFAOYSA-N -1 3 269.307 2.674 20 5 CFBDHM O=C(Nc1ccsc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000190084699 280047442 /nfs/dbraw/zinc/04/74/42/280047442.db2.gz QMSSRJXZRLISGX-UHFFFAOYSA-N -1 3 299.695 2.663 20 5 CFBDHM Cc1ccc(NC(=O)/C=C\c2cncc([O-])c2)cc1[N+](=O)[O-] ZINC000255216930 281091475 /nfs/dbraw/zinc/09/14/75/281091475.db2.gz WYYBKAAGDHMRPQ-HYXAFXHYSA-N -1 3 299.286 2.656 20 5 CFBDHM O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(F)ccc1[O-] ZINC000174875506 323655755 /nfs/dbraw/zinc/65/57/55/323655755.db2.gz IEELNIBJZVTERZ-UHFFFAOYSA-N -1 3 290.250 2.621 20 5 CFBDHM CCc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000081232074 522055602 /nfs/dbraw/zinc/05/56/02/522055602.db2.gz SYGPFRFSWPMCLZ-UHFFFAOYSA-N -1 3 283.334 2.928 20 5 CFBDHM CCc1onc(C)c1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000340427401 523060729 /nfs/dbraw/zinc/06/07/29/523060729.db2.gz OIXVIGMCBYLNAM-UHFFFAOYSA-N -1 3 293.254 2.845 20 5 CFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc([O-])cc1F ZINC000070333034 527245785 /nfs/dbraw/zinc/24/57/85/527245785.db2.gz IKKVVALTIGEMOC-UHFFFAOYSA-N -1 3 290.250 2.621 20 5 CFBDHM O=C([O-])CCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000050926271 527575818 /nfs/dbraw/zinc/57/58/18/527575818.db2.gz NUHRTJGFQMNCTN-UHFFFAOYSA-N -1 3 292.335 2.672 20 5 CFBDHM O=C(c1cc2occc2[n-]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000750885844 574359245 /nfs/dbraw/zinc/35/92/45/574359245.db2.gz FMRVBLBZQNUPOR-UHFFFAOYSA-N -1 3 297.270 2.872 20 5 CFBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])[N-]OC1CCCC1 ZINC000935238869 618213864 /nfs/dbraw/zinc/21/38/64/618213864.db2.gz HQUNDZBCEXHTMH-UHFFFAOYSA-N -1 3 296.298 2.657 20 5 CFBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])[N-]OCC1CCC1 ZINC000826628254 623825843 /nfs/dbraw/zinc/82/58/43/623825843.db2.gz YROKTJUNDXHTMP-UHFFFAOYSA-N -1 3 296.298 2.514 20 5 CFBDHM O=c1ccnc(C=Cc2ccc([N+](=O)[O-])cc2Cl)[n-]1 ZINC000783710900 628737278 /nfs/dbraw/zinc/73/72/78/628737278.db2.gz OVDFLRPLTVHOKZ-RQOWECAXSA-N -1 3 277.667 2.914 20 5 CFBDHM Cc1c(CO[N-]C(=O)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000842063191 631521055 /nfs/dbraw/zinc/52/10/55/631521055.db2.gz JOTIHGYDUSFIDI-UHFFFAOYSA-N -1 3 280.324 2.887 20 5 CFBDHM CCS(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(C)(C)C ZINC000872006993 641546260 /nfs/dbraw/zinc/54/62/60/641546260.db2.gz FFGSQSIQKVKXCA-UHFFFAOYSA-N -1 3 286.353 2.654 20 5 CFBDHM O=c1[n-]ccc(NCCC[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC000872692888 641897947 /nfs/dbraw/zinc/89/79/47/641897947.db2.gz CSILHLIISFLTPQ-SNVBAGLBSA-N -1 3 263.297 2.854 20 5 CFBDHM C[C@@H](COc1nccc([O-])c1[N+](=O)[O-])Oc1ccccc1 ZINC001225664932 775548355 /nfs/dbraw/zinc/54/83/55/775548355.db2.gz UQIWFXXUOSOVBP-JTQLQIEISA-N -1 3 290.275 2.542 20 5 CFBDHM C[C@H](COc1nccc([O-])c1[N+](=O)[O-])Oc1ccccc1 ZINC001225664933 775548899 /nfs/dbraw/zinc/54/88/99/775548899.db2.gz UQIWFXXUOSOVBP-SNVBAGLBSA-N -1 3 290.275 2.542 20 5 CFBDHM C[C@H](Cc1ccccc1)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225668193 775550676 /nfs/dbraw/zinc/55/06/76/775550676.db2.gz ZURULROTSJOOMW-SNVBAGLBSA-N -1 3 274.276 2.705 20 5 CFBDHM C[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ccccn1 ZINC001226333861 775782704 /nfs/dbraw/zinc/78/27/04/775782704.db2.gz OQEYTFPIVXMJJX-SECBINFHSA-N -1 3 260.249 2.835 20 5 CFBDHM CC(C)CCOC(=O)[C@H](C)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226333346 775783110 /nfs/dbraw/zinc/78/31/10/775783110.db2.gz KCBGIODJKZKXFX-JTQLQIEISA-N -1 3 297.307 2.657 20 5 CFBDHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC000695470008 775849431 /nfs/dbraw/zinc/84/94/31/775849431.db2.gz WLNDOQSUUXIACH-QMMMGPOBSA-N -1 3 253.302 2.790 20 5 CFBDHM O=[N+]([O-])c1cnc(O[C@H]2CCCC[C@@H]2F)c2[n-]cnc21 ZINC001227691937 776258901 /nfs/dbraw/zinc/25/89/01/776258901.db2.gz RWDDDENDAHACFZ-CBAPKCEASA-N -1 3 280.259 2.526 20 5 CFBDHM Cc1cc2[n-]c(O[C@@H]3CCO[C@@H](C)C3)nc2cc1[N+](=O)[O-] ZINC001228674602 776561871 /nfs/dbraw/zinc/56/18/71/776561871.db2.gz JYSWUJHYDOUBOG-VHSXEESVSA-N -1 3 291.307 2.726 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC001228684987 776567917 /nfs/dbraw/zinc/56/79/17/776567917.db2.gz COZQOZANWHEVPV-SCZZXKLOSA-N -1 3 266.297 2.961 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2cccnc2F)c1[N+](=O)[O-] ZINC001228690303 776569002 /nfs/dbraw/zinc/56/90/02/776569002.db2.gz ZREHNANVTKNDQU-QMMMGPOBSA-N -1 3 293.254 2.678 20 5 CFBDHM CC1(C)C[C@]1(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000702424727 780924914 /nfs/dbraw/zinc/92/49/14/780924914.db2.gz ZNSSDLFJYJKFNQ-GFCCVEGCSA-N -1 3 251.286 2.544 20 5 CFBDHM O=c1[n-]ccc(NCc2ccc3c(c2)CCC3)c1[N+](=O)[O-] ZINC001118517400 781666642 /nfs/dbraw/zinc/66/66/42/781666642.db2.gz WDOIEIUHIHFPQQ-UHFFFAOYSA-N -1 3 285.303 2.796 20 5 CFBDHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000594734077 349483892 /nfs/dbraw/zinc/48/38/92/349483892.db2.gz NVANBICZPCWHSE-GHMZBOCLSA-N -1 3 292.335 2.913 20 5 CFBDHM COc1cc(CNCC2=CCCC2)c([N+](=O)[O-])cc1[O-] ZINC000594989996 349540291 /nfs/dbraw/zinc/54/02/91/349540291.db2.gz LKSYSYBNBCSQBN-UHFFFAOYSA-N -1 3 278.308 2.509 20 5 CFBDHM CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000595881274 349760927 /nfs/dbraw/zinc/76/09/27/349760927.db2.gz BYHFYJWLHTUXOT-QMMMGPOBSA-N -1 3 286.715 2.543 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)c1[N+](=O)[O-] ZINC000596166126 349814830 /nfs/dbraw/zinc/81/48/30/349814830.db2.gz QBBRSLWTOFUHSM-SCRDCRAPSA-N -1 3 297.314 2.693 20 5 CFBDHM CCC1(CC)[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1OC ZINC000596167296 349815461 /nfs/dbraw/zinc/81/54/61/349815461.db2.gz BHGYJKVRDRGCQG-QWRGUYRKSA-N -1 3 295.339 2.701 20 5 CFBDHM CCC1(CC)[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H]1OC ZINC000596167295 349815715 /nfs/dbraw/zinc/81/57/15/349815715.db2.gz BHGYJKVRDRGCQG-MNOVXSKESA-N -1 3 295.339 2.701 20 5 CFBDHM CCCCn1ncc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC000596169571 349816299 /nfs/dbraw/zinc/81/62/99/349816299.db2.gz IXMGLVCVVWBEOS-UHFFFAOYSA-N -1 3 291.311 2.744 20 5 CFBDHM C[C@@H]1C[C@@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000596226616 349833103 /nfs/dbraw/zinc/83/31/03/349833103.db2.gz LDLMVSBTUHUZNT-JGPRNRPPSA-N -1 3 295.339 2.701 20 5 CFBDHM CC[C@@H]1CCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596251376 349841243 /nfs/dbraw/zinc/84/12/43/349841243.db2.gz WMXMWALTUDQENC-NXEZZACHSA-N -1 3 265.313 2.934 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2CCC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000596270757 349848632 /nfs/dbraw/zinc/84/86/32/349848632.db2.gz ROSQCLKUVNVDMN-MNOVXSKESA-N -1 3 277.324 2.934 20 5 CFBDHM O=c1[n-]ccc(N[C@H](C2CC2)C2CCC2)c1[N+](=O)[O-] ZINC000596260106 349844850 /nfs/dbraw/zinc/84/48/50/349844850.db2.gz ADKDHJRBUQUTGH-NSHDSACASA-N -1 3 263.297 2.686 20 5 CFBDHM COCc1csc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596472746 349910691 /nfs/dbraw/zinc/91/06/91/349910691.db2.gz IIPFXZLLLBWBSM-UHFFFAOYSA-N -1 3 295.320 2.515 20 5 CFBDHM Cc1noc(C)c1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000063446824 346700126 /nfs/dbraw/zinc/70/01/26/346700126.db2.gz OTBQQZKTBXEXFX-UHFFFAOYSA-N -1 3 279.227 2.591 20 5 CFBDHM Cc1cnc([N-]c2cnn(CC(C)C)c2)c([N+](=O)[O-])c1 ZINC000078670687 347269049 /nfs/dbraw/zinc/26/90/49/347269049.db2.gz DTXULGRVNBFUFE-UHFFFAOYSA-N -1 3 275.312 2.894 20 5 CFBDHM CC(C)CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000092008588 347606880 /nfs/dbraw/zinc/60/68/80/347606880.db2.gz KYAHFESJJFDKCJ-UHFFFAOYSA-N -1 3 264.325 2.921 20 5 CFBDHM Cc1c(CN2CCC(CC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000093680829 347680300 /nfs/dbraw/zinc/68/03/00/347680300.db2.gz BXJWITQVRXPIJI-UHFFFAOYSA-N -1 3 292.335 2.590 20 5 CFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CC(=O)[O-])CC1 ZINC000093682237 347681283 /nfs/dbraw/zinc/68/12/83/347681283.db2.gz SXBOVEBWPGLSFS-NSHDSACASA-N -1 3 292.335 2.843 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@H]2CCC[C@@H]2C1 ZINC000093442906 347673926 /nfs/dbraw/zinc/67/39/26/347673926.db2.gz IYDRDEGXCBITJA-GHMZBOCLSA-N -1 3 262.309 2.532 20 5 CFBDHM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[N-]OC1CCCC1 ZINC000273464756 192161838 /nfs/dbraw/zinc/16/18/38/192161838.db2.gz GXFUTKYSXUWFHM-ZHACJKMWSA-N -1 3 290.319 2.989 20 5 CFBDHM Cc1cc([N+](=O)[O-])ccc1CN1CCC(C)(C(=O)[O-])CC1 ZINC000592423039 349118799 /nfs/dbraw/zinc/11/87/99/349118799.db2.gz HPKVNEQXNRLCOX-UHFFFAOYSA-N -1 3 292.335 2.590 20 5 CFBDHM CC[C@@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593734378 349316227 /nfs/dbraw/zinc/31/62/27/349316227.db2.gz GUPTWKGHSHNIDT-LLVKDONJSA-N -1 3 292.335 2.915 20 5 CFBDHM CC(C)[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732538 349316279 /nfs/dbraw/zinc/31/62/79/349316279.db2.gz MYCGTUYOJCFINS-CYBMUJFWSA-N -1 3 292.335 2.913 20 5 CFBDHM C[C@@H]1C[C@H](C)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593738087 349316895 /nfs/dbraw/zinc/31/68/95/349316895.db2.gz MNJLAIZHKZQVAF-ZJUUUORDSA-N -1 3 278.308 2.523 20 5 CFBDHM C[C@@H]1CC[C@H](C)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593739283 349318025 /nfs/dbraw/zinc/31/80/25/349318025.db2.gz XUOAVFICKPMGFO-MNOVXSKESA-N -1 3 292.335 2.913 20 5 CFBDHM C/C=C/C[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000599200709 350395117 /nfs/dbraw/zinc/39/51/17/350395117.db2.gz WSNVDLXOVASGAU-KXMPLOMGSA-N -1 3 277.324 2.878 20 5 CFBDHM CSc1ccc(C(=O)[N-]c2cnoc2)cc1[N+](=O)[O-] ZINC000604543034 351217938 /nfs/dbraw/zinc/21/79/38/351217938.db2.gz XEJRAICOYQYSTE-UHFFFAOYSA-N -1 3 279.277 2.557 20 5 CFBDHM Cc1cc([N-]c2cccnc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000612094634 351773985 /nfs/dbraw/zinc/77/39/85/351773985.db2.gz MRHIMLGBBITICH-JTQLQIEISA-N -1 3 287.323 2.631 20 5 CFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1nccs1 ZINC000619607655 353039863 /nfs/dbraw/zinc/03/98/63/353039863.db2.gz UNNWIFQZZQGBDV-UHFFFAOYSA-N -1 3 293.304 2.702 20 5 CFBDHM Cc1ccc(NC([O-])=NOC2CCCC2)cc1[N+](=O)[O-] ZINC000271760838 191311145 /nfs/dbraw/zinc/31/11/45/191311145.db2.gz CQZMCAVVZLPIIN-UHFFFAOYSA-N -1 3 279.296 2.899 20 5 CFBDHM Cc1ccc(NC(=O)[N-]OC2CCCC2)cc1[N+](=O)[O-] ZINC000271760838 191311147 /nfs/dbraw/zinc/31/11/47/191311147.db2.gz CQZMCAVVZLPIIN-UHFFFAOYSA-N -1 3 279.296 2.899 20 5 CFBDHM COc1ccc([N+](=O)[O-])cc1NC([O-])=NOC1CCCC1 ZINC000271810777 191341162 /nfs/dbraw/zinc/34/11/62/191341162.db2.gz OERGFLNYPZWAIB-UHFFFAOYSA-N -1 3 295.295 2.599 20 5 CFBDHM COc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OC1CCCC1 ZINC000271810777 191341163 /nfs/dbraw/zinc/34/11/63/191341163.db2.gz OERGFLNYPZWAIB-UHFFFAOYSA-N -1 3 295.295 2.599 20 5 CFBDHM Cc1ccc([O-])c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000294910886 199243797 /nfs/dbraw/zinc/24/37/97/199243797.db2.gz APSBBEROQSUDJK-NSHDSACASA-N -1 3 287.319 2.855 20 5 CFBDHM C[C@@H]1CC[C@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596189849 540704672 /nfs/dbraw/zinc/70/46/72/540704672.db2.gz LVBBUWGGFBUCKE-YGRLFVJLSA-N -1 3 277.324 2.712 20 5 CFBDHM CC(C)CCn1ccc([N-]c2ccc([N+](=O)[O-])cn2)n1 ZINC000302055368 201322134 /nfs/dbraw/zinc/32/21/34/201322134.db2.gz YZOIKYKGLSKBQC-UHFFFAOYSA-N -1 3 275.312 2.976 20 5 CFBDHM Cc1csc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000015007809 372076775 /nfs/dbraw/zinc/07/67/75/372076775.db2.gz NMGSHTKIVYSWHM-UHFFFAOYSA-N -1 3 269.307 2.674 20 5 CFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263329269 296234409 /nfs/dbraw/zinc/23/44/09/296234409.db2.gz LDXVVXPKHPNDCU-MDZLAQPJSA-N -1 3 292.335 2.698 20 5 CFBDHM CCc1cc(=O)[n-]c(CSc2ccc([N+](=O)[O-])cc2)n1 ZINC000125759591 377188630 /nfs/dbraw/zinc/18/86/30/377188630.db2.gz KVQAMBDSKCKLDO-UHFFFAOYSA-N -1 3 291.332 2.945 20 5 CFBDHM CCn1nc(C)c([N+](=O)[O-])c1Sc1cccc([O-])c1 ZINC000131050099 377650385 /nfs/dbraw/zinc/65/03/85/377650385.db2.gz VAKGHOIELQWSFU-UHFFFAOYSA-N -1 3 279.321 2.976 20 5 CFBDHM CCC1([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CCC1 ZINC000177539916 380353725 /nfs/dbraw/zinc/35/37/25/380353725.db2.gz ISMZAUILYBHUHF-UHFFFAOYSA-N -1 3 298.364 2.514 20 5 CFBDHM Cc1cccc([O-])c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000179546087 380554195 /nfs/dbraw/zinc/55/41/95/380554195.db2.gz NWNMLWRTASDHOV-UHFFFAOYSA-N -1 3 286.287 2.790 20 5 CFBDHM CC(C)O[N-]C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295466632 380874332 /nfs/dbraw/zinc/87/43/32/380874332.db2.gz CPGSTSYFDRNZDS-UHFFFAOYSA-N -1 3 292.213 2.683 20 5 CFBDHM C[C@H](NC(=O)c1cccc([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000182131782 380998423 /nfs/dbraw/zinc/99/84/23/380998423.db2.gz IGGZLJYHBAZALP-JTQLQIEISA-N -1 3 286.287 2.791 20 5 CFBDHM CC(=O)c1ccc(F)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000184836403 381486191 /nfs/dbraw/zinc/48/61/91/381486191.db2.gz GIGPGPUJSRYCCA-UHFFFAOYSA-N -1 3 292.222 2.782 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000293587743 382186016 /nfs/dbraw/zinc/18/60/16/382186016.db2.gz BHZDVDWKUATDSU-QMMMGPOBSA-N -1 3 286.715 2.956 20 5 CFBDHM Cc1cc(=O)[n-]c(C=Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000352026983 382138344 /nfs/dbraw/zinc/13/83/44/382138344.db2.gz MHOJGIDONTUOJN-HYXAFXHYSA-N -1 3 275.239 2.708 20 5 CFBDHM COCc1ccc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000352178187 382209610 /nfs/dbraw/zinc/20/96/10/382209610.db2.gz KTMYLAUEHDZQLX-UHFFFAOYSA-N -1 3 294.238 2.726 20 5 CFBDHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]OC[C@H](C)CC ZINC000293729531 382254988 /nfs/dbraw/zinc/25/49/88/382254988.db2.gz NGGXFZARDYKXBO-SNVBAGLBSA-N -1 3 296.323 2.701 20 5 CFBDHM CC(C)([N-]C(=O)C(C)(F)F)c1ccccc1[N+](=O)[O-] ZINC000293826739 382294566 /nfs/dbraw/zinc/29/45/66/382294566.db2.gz BAWXLUAIGYTGTC-UHFFFAOYSA-N -1 3 272.251 2.601 20 5 CFBDHM CCCc1nc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)co1 ZINC000337944103 382875342 /nfs/dbraw/zinc/87/53/42/382875342.db2.gz DHLADGCFBMEJLM-UHFFFAOYSA-N -1 3 293.254 2.927 20 5 CFBDHM CCC[C@@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338898111 383079017 /nfs/dbraw/zinc/07/90/17/383079017.db2.gz FHBNDHKOHYTCQO-SNVBAGLBSA-N -1 3 252.314 2.921 20 5 CFBDHM Cc1cc(=O)[n-]c(C=CC=Cc2ccccc2[N+](=O)[O-])n1 ZINC000339116341 383154849 /nfs/dbraw/zinc/15/48/49/383154849.db2.gz LJOOQAPPWUOOJZ-DLYLGUBQSA-N -1 3 283.287 2.713 20 5 CFBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC1CCC1 ZINC000339142871 383164820 /nfs/dbraw/zinc/16/48/20/383164820.db2.gz AGUNGCHTTRIRDC-UHFFFAOYSA-N -1 3 264.325 2.922 20 5 CFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421401 393770410 /nfs/dbraw/zinc/77/04/10/393770410.db2.gz UOGKWBOKMSKDAE-RYUDHWBXSA-N -1 3 292.335 2.843 20 5 CFBDHM COc1cc(CN[C@@H]2CCCC[C@H]2F)c([N+](=O)[O-])cc1[O-] ZINC000419819397 394064458 /nfs/dbraw/zinc/06/44/58/394064458.db2.gz NLQSNWIIRIVYFE-GHMZBOCLSA-N -1 3 298.314 2.679 20 5 CFBDHM Cc1c(CNC(=O)c2ccccc2[O-])cccc1[N+](=O)[O-] ZINC000436892052 394031701 /nfs/dbraw/zinc/03/17/01/394031701.db2.gz YXGXAKGSUMBCHB-UHFFFAOYSA-N -1 3 286.287 2.539 20 5 CFBDHM C[C@@H]1CC(C)(C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000412047123 287217473 /nfs/dbraw/zinc/21/74/73/287217473.db2.gz RXQGFLATVSQREA-SNVBAGLBSA-N -1 3 264.325 2.921 20 5 CFBDHM Cc1ccc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000020448909 171207320 /nfs/dbraw/zinc/20/73/20/171207320.db2.gz OVIPRWJKJFHPLW-UHFFFAOYSA-N -1 3 264.212 2.888 20 5 CFBDHM C[C@H](NCc1ncccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000518836833 265109424 /nfs/dbraw/zinc/10/94/24/265109424.db2.gz SDBQWIRBFCXTGL-JTQLQIEISA-N -1 3 273.292 2.546 20 5 CFBDHM O=C([O-])C1(NCc2csc([N+](=O)[O-])c2)CCCCCC1 ZINC000516576111 270384574 /nfs/dbraw/zinc/38/45/74/270384574.db2.gz KPRXBLKTYLJOOX-UHFFFAOYSA-N -1 3 298.364 2.924 20 5 CFBDHM CC1(C)CCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000330454902 278247905 /nfs/dbraw/zinc/24/79/05/278247905.db2.gz NMWPCLUPXMSCMU-CYBMUJFWSA-N -1 3 264.325 2.969 20 5 CFBDHM CC[C@@H]1CCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000330435202 280310201 /nfs/dbraw/zinc/31/02/01/280310201.db2.gz AQRPBKIAPWGTAJ-ZWNOBZJWSA-N -1 3 264.325 2.969 20 5 CFBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccccc1[O-] ZINC000255449080 281098749 /nfs/dbraw/zinc/09/87/49/281098749.db2.gz DSMQBCYKUIHKPL-YFHOEESVSA-N -1 3 284.271 2.952 20 5 CFBDHM CCCc1coc([N-]C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000570174309 322518499 /nfs/dbraw/zinc/51/84/99/322518499.db2.gz WLKRYEBLWATKRG-UHFFFAOYSA-N -1 3 281.293 2.849 20 5 CFBDHM COc1ccc([N-]C(=O)c2cnc(C)s2)c([N+](=O)[O-])c1 ZINC000195217331 524651447 /nfs/dbraw/zinc/65/14/47/524651447.db2.gz SNKSUQSQKVHKMQ-UHFFFAOYSA-N -1 3 293.304 2.621 20 5 CFBDHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)cs1 ZINC000339958467 526991882 /nfs/dbraw/zinc/99/18/82/526991882.db2.gz AXSPPHBLCJFNAN-UHFFFAOYSA-N -1 3 283.334 2.982 20 5 CFBDHM O=C([O-])CC[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000050924577 527599362 /nfs/dbraw/zinc/59/93/62/527599362.db2.gz AHYPEHOSCUXZMT-CYBMUJFWSA-N -1 3 292.335 2.814 20 5 CFBDHM O=C([O-])C1(NCc2cc(F)ccc2[N+](=O)[O-])CCCCC1 ZINC000739514054 574216237 /nfs/dbraw/zinc/21/62/37/574216237.db2.gz ORCPQTJQZBLYCN-UHFFFAOYSA-N -1 3 296.298 2.611 20 5 CFBDHM O=C(Nc1ccc([O-])cc1F)c1cc(F)ccc1[N+](=O)[O-] ZINC000070333207 625301794 /nfs/dbraw/zinc/30/17/94/625301794.db2.gz ALZLZOTXFNCQBN-UHFFFAOYSA-N -1 3 294.213 2.831 20 5 CFBDHM CC1(C)CC[C@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])OC1 ZINC000896789806 619818377 /nfs/dbraw/zinc/81/83/77/619818377.db2.gz LRAOOOCLTBPLNC-SNVBAGLBSA-N -1 3 295.339 2.703 20 5 CFBDHM COc1cc([N+](=O)[O-])ccc1-n1[n-]c(C)c(C(C)C)c1=O ZINC000899350442 620550397 /nfs/dbraw/zinc/55/03/97/620550397.db2.gz ZFLPLMVZGHZYKS-CYBMUJFWSA-N -1 3 291.307 2.598 20 5 CFBDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cncc(F)c1 ZINC000765621592 627151304 /nfs/dbraw/zinc/15/13/04/627151304.db2.gz VZBKDEWLBURLRI-SECBINFHSA-N -1 3 291.282 2.685 20 5 CFBDHM O=c1[n-]ccc(NCC[C@@H]2CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000856784218 635858880 /nfs/dbraw/zinc/85/88/80/635858880.db2.gz UDKQYNITAYFNNN-ZCFIWIBFSA-N -1 3 292.122 2.691 20 5 CFBDHM CCC(O)(CC)C(C)(C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000879699633 644388408 /nfs/dbraw/zinc/38/84/08/644388408.db2.gz UDGZEIXMCBIQQH-UHFFFAOYSA-N -1 3 296.367 2.720 20 5 CFBDHM CCC[C@H](C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000882777973 645453043 /nfs/dbraw/zinc/45/30/43/645453043.db2.gz YGAYJJACXCYYSJ-VIFPVBQESA-N -1 3 253.302 2.934 20 5 CFBDHM Cc1nsc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000135430763 646532509 /nfs/dbraw/zinc/53/25/09/646532509.db2.gz SQJBLKMNZCFBMD-UHFFFAOYSA-N -1 3 298.711 2.660 20 5 CFBDHM Nc1cnc(Cl)c([N-]c2ccc(F)cc2[N+](=O)[O-])n1 ZINC001210952324 770404090 /nfs/dbraw/zinc/40/40/90/770404090.db2.gz DOTILIZGXDPCGH-UHFFFAOYSA-N -1 3 283.650 2.503 20 5 CFBDHM COc1cccc([C@H](C)Oc2nccc([O-])c2[N+](=O)[O-])c1 ZINC001225668197 775550114 /nfs/dbraw/zinc/55/01/14/775550114.db2.gz ZVEAHKUMTHERNJ-VIFPVBQESA-N -1 3 290.275 2.844 20 5 CFBDHM CC(C)C(Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C(C)C ZINC001227691562 776259564 /nfs/dbraw/zinc/25/95/64/776259564.db2.gz PLTXPAMXJWORBF-UHFFFAOYSA-N -1 3 278.312 2.926 20 5 CFBDHM COC1CCC(Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227745446 776276930 /nfs/dbraw/zinc/27/69/30/776276930.db2.gz NGIAANHGVJOXFF-UHFFFAOYSA-N -1 3 291.307 2.808 20 5 CFBDHM COC1CCC(Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227745446 776276938 /nfs/dbraw/zinc/27/69/38/776276938.db2.gz NGIAANHGVJOXFF-UHFFFAOYSA-N -1 3 291.307 2.808 20 5 CFBDHM C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C(F)(F)F ZINC001227746382 776277492 /nfs/dbraw/zinc/27/74/92/776277492.db2.gz SAFYKLDCPXADLN-RXMQYKEDSA-N -1 3 275.186 2.801 20 5 CFBDHM C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C(F)(F)F ZINC001227746382 776277499 /nfs/dbraw/zinc/27/74/99/776277499.db2.gz SAFYKLDCPXADLN-RXMQYKEDSA-N -1 3 275.186 2.801 20 5 CFBDHM CC[C@@H](Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-])C(C)C ZINC001228687758 776567612 /nfs/dbraw/zinc/56/76/12/776567612.db2.gz AWHCAMIPAZLEDD-SECBINFHSA-N -1 3 254.286 2.817 20 5 CFBDHM C[C@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ncccc1F ZINC001226334601 777511726 /nfs/dbraw/zinc/51/17/26/777511726.db2.gz WMQGCHUPHTVSPQ-QMMMGPOBSA-N -1 3 278.239 2.975 20 5 CFBDHM CO[C@H](C)COc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233497826 777970386 /nfs/dbraw/zinc/97/03/86/777970386.db2.gz IGVOCVXVAXGRIN-ZCFIWIBFSA-N -1 3 285.687 2.538 20 5 CFBDHM CO[C@H](C)COc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233497826 777970392 /nfs/dbraw/zinc/97/03/92/777970392.db2.gz IGVOCVXVAXGRIN-ZCFIWIBFSA-N -1 3 285.687 2.538 20 5 CFBDHM CCO[C@@H](C)COc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233505774 777973768 /nfs/dbraw/zinc/97/37/68/777973768.db2.gz GIMRVEHELWPJOY-ZETCQYMHSA-N -1 3 299.714 2.928 20 5 CFBDHM CCO[C@@H](C)COc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1 ZINC001233505774 777973775 /nfs/dbraw/zinc/97/37/75/777973775.db2.gz GIMRVEHELWPJOY-ZETCQYMHSA-N -1 3 299.714 2.928 20 5 CFBDHM CC[C@H](C)N(CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595601420 349670818 /nfs/dbraw/zinc/67/08/18/349670818.db2.gz RLIHDLCOWFDLEC-JTQLQIEISA-N -1 3 252.314 2.921 20 5 CFBDHM O=c1[n-]ccc(NCCC2CCCC2)c1[N+](=O)[O-] ZINC000596071568 349787520 /nfs/dbraw/zinc/78/75/20/349787520.db2.gz REBUITLVCGUTMJ-UHFFFAOYSA-N -1 3 251.286 2.688 20 5 CFBDHM CC(C)C[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596158371 349812717 /nfs/dbraw/zinc/81/27/17/349812717.db2.gz WGXKMMNPCRGUFV-NSHDSACASA-N -1 3 279.340 2.958 20 5 CFBDHM O=c1[n-]ccc(N[C@@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000596166963 349815395 /nfs/dbraw/zinc/81/53/95/349815395.db2.gz ZPTTUYDUXFXHPX-SSDOTTSWSA-N -1 3 273.239 2.685 20 5 CFBDHM CS[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC000596191561 349822019 /nfs/dbraw/zinc/82/20/19/349822019.db2.gz XWXDQEAHLQZWGZ-VIFPVBQESA-N -1 3 285.369 2.885 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000596219295 349830368 /nfs/dbraw/zinc/83/03/68/349830368.db2.gz PGNMOPGRROODIV-ZETCQYMHSA-N -1 3 273.239 2.543 20 5 CFBDHM O=c1[n-]ccc(N[C@@H](C2CC2)C2CCC2)c1[N+](=O)[O-] ZINC000596260105 349844653 /nfs/dbraw/zinc/84/46/53/349844653.db2.gz ADKDHJRBUQUTGH-LLVKDONJSA-N -1 3 263.297 2.686 20 5 CFBDHM CC(C)(C)C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596261519 349845632 /nfs/dbraw/zinc/84/56/32/349845632.db2.gz WFOJYGBNSXHDRL-SNVBAGLBSA-N -1 3 279.340 2.958 20 5 CFBDHM O=c1[n-]c(-c2ccon2)nc2cc3ccccc3cc12 ZINC000074797505 347035356 /nfs/dbraw/zinc/03/53/56/347035356.db2.gz XGGWBHBUNFXGNW-UHFFFAOYSA-N -1 3 263.256 2.731 20 5 CFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757595 347489213 /nfs/dbraw/zinc/48/92/13/347489213.db2.gz SQMLTGWGOFAYLE-VXGBXAGGSA-N -1 3 292.335 2.843 20 5 CFBDHM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000093480765 347675438 /nfs/dbraw/zinc/67/54/38/347675438.db2.gz LPKMGJAQMIWKDS-MNOVXSKESA-N -1 3 264.325 2.778 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CNC1(C2CCC2)CC1 ZINC000593079623 349202841 /nfs/dbraw/zinc/20/28/41/349202841.db2.gz GEYHAKVILBHNMK-UHFFFAOYSA-N -1 3 262.309 2.723 20 5 CFBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000593733511 349316186 /nfs/dbraw/zinc/31/61/86/349316186.db2.gz VXLIOPLOIUEXMA-UHFFFAOYSA-N -1 3 266.297 2.523 20 5 CFBDHM CC(C)[C@H](C)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593732198 349316271 /nfs/dbraw/zinc/31/62/71/349316271.db2.gz KHDAGBZMAXSYHN-JTQLQIEISA-N -1 3 280.324 2.769 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CC[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000599114893 350377376 /nfs/dbraw/zinc/37/73/76/350377376.db2.gz HZSVWZGJWMHDNH-KXUCPTDWSA-N -1 3 263.297 2.544 20 5 CFBDHM C/C=C/C[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000599200712 350395191 /nfs/dbraw/zinc/39/51/91/350395191.db2.gz WSNVDLXOVASGAU-VUDBWIFFSA-N -1 3 277.324 2.878 20 5 CFBDHM COc1cc(CNCc2ccoc2C)c([N+](=O)[O-])cc1[O-] ZINC000608782132 351470505 /nfs/dbraw/zinc/47/05/05/351470505.db2.gz ZXBFGHJNBVQDMB-UHFFFAOYSA-N -1 3 292.291 2.500 20 5 CFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]OC1CCCC1 ZINC000271831160 191353500 /nfs/dbraw/zinc/35/35/00/191353500.db2.gz XBMIRJBZVJTCPR-UHFFFAOYSA-N -1 3 278.308 2.518 20 5 CFBDHM O=C(Nc1ccc2ccoc2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000442803160 241003317 /nfs/dbraw/zinc/00/33/17/241003317.db2.gz UAHQVNIYCQBTSY-UHFFFAOYSA-N -1 3 299.242 2.694 20 5 CFBDHM O=[N+]([O-])c1cccc(CNCc2ccc([O-])c(F)c2)c1 ZINC000120510761 376629141 /nfs/dbraw/zinc/62/91/41/376629141.db2.gz QBMMGMOQXXYZKY-UHFFFAOYSA-N -1 3 276.267 2.729 20 5 CFBDHM C[C@H]1CCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000330414511 378549236 /nfs/dbraw/zinc/54/92/36/378549236.db2.gz TXMJBTFUQSXKSL-CABZTGNLSA-N -1 3 250.298 2.579 20 5 CFBDHM CC(C)[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330448149 378559822 /nfs/dbraw/zinc/55/98/22/378559822.db2.gz YWHXRWYFQWCCOY-CYBMUJFWSA-N -1 3 264.325 2.921 20 5 CFBDHM O=C(c1ccc([N+](=O)[O-])cc1)N1CCCc2cccc([O-])c21 ZINC000170873042 379180010 /nfs/dbraw/zinc/18/00/10/379180010.db2.gz XKVVVNHINGTUEV-UHFFFAOYSA-N -1 3 298.298 2.893 20 5 CFBDHM CCc1ccc(C(=O)Nc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000175278913 380036652 /nfs/dbraw/zinc/03/66/52/380036652.db2.gz WHMZHCCFNRTWSK-UHFFFAOYSA-N -1 3 287.275 2.510 20 5 CFBDHM Cc1noc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000359362469 381372914 /nfs/dbraw/zinc/37/29/14/381372914.db2.gz LBXMLRNZXASBIX-UHFFFAOYSA-N -1 3 267.266 2.513 20 5 CFBDHM O=c1cc(COc2cccc([N+](=O)[O-])c2)nc(C2CC2)[n-]1 ZINC000412980771 381518939 /nfs/dbraw/zinc/51/89/39/381518939.db2.gz SXRQUSCBEPJOKU-UHFFFAOYSA-N -1 3 287.275 2.547 20 5 CFBDHM O=[N+]([O-])c1cc(Cl)ccc1NCc1ncccc1[O-] ZINC000359883712 381657784 /nfs/dbraw/zinc/65/77/84/381657784.db2.gz XPXRNWUFDOOKMT-UHFFFAOYSA-N -1 3 279.683 2.961 20 5 CFBDHM Cc1noc(C)c1[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000358228056 382514740 /nfs/dbraw/zinc/51/47/40/382514740.db2.gz PZMQJXWMRKXMNZ-UHFFFAOYSA-N -1 3 275.264 2.760 20 5 CFBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc(C2CC2)no1 ZINC000440873918 382886838 /nfs/dbraw/zinc/88/68/38/382886838.db2.gz VHGBZGQBRNGNQA-UHFFFAOYSA-N -1 3 291.238 2.852 20 5 CFBDHM CCC[C@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338898110 383079190 /nfs/dbraw/zinc/07/91/90/383079190.db2.gz FHBNDHKOHYTCQO-JTQLQIEISA-N -1 3 252.314 2.921 20 5 CFBDHM CC[C@@H](C)[C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339083973 383143689 /nfs/dbraw/zinc/14/36/89/383143689.db2.gz OOKHTZCYMHMVSA-NXEZZACHSA-N -1 3 252.314 2.825 20 5 CFBDHM O=[N+]([O-])c1ccccc1CN(Cc1ncccc1[O-])C1CC1 ZINC000567311645 383261542 /nfs/dbraw/zinc/26/15/42/383261542.db2.gz NAQVEBPKZGFDSI-UHFFFAOYSA-N -1 3 299.330 2.860 20 5 CFBDHM COc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000340310682 383412112 /nfs/dbraw/zinc/41/21/12/383412112.db2.gz RIFJCDAYKGUYQA-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM Cc1c(NC(=O)/C=C/c2cncc([O-])c2)cccc1[N+](=O)[O-] ZINC000181775290 393501447 /nfs/dbraw/zinc/50/14/47/393501447.db2.gz COBQDDVPNACTFF-AATRIKPKSA-N -1 3 299.286 2.656 20 5 CFBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1[O-] ZINC000075285123 393671687 /nfs/dbraw/zinc/67/16/87/393671687.db2.gz DSMQBCYKUIHKPL-JXMROGBWSA-N -1 3 284.271 2.952 20 5 CFBDHM Cc1ccc(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000424416690 393845304 /nfs/dbraw/zinc/84/53/04/393845304.db2.gz KXALCXUAKSAUHK-BXUZGUMPSA-N -1 3 292.335 2.588 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492917639 394097280 /nfs/dbraw/zinc/09/72/80/394097280.db2.gz DDMCEQBPFXGSEL-IQQGHNRFSA-N -1 3 278.308 2.702 20 5 CFBDHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn(C(C)(C)C)c2)n1 ZINC000178198575 394386653 /nfs/dbraw/zinc/38/66/53/394386653.db2.gz KQSUYNIQPHUCQO-UHFFFAOYSA-N -1 3 275.312 2.993 20 5 CFBDHM CSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531887924 394530643 /nfs/dbraw/zinc/53/06/43/394530643.db2.gz DZNUWNVODHGOAI-UHFFFAOYSA-N -1 3 289.316 2.964 20 5 CFBDHM Cc1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000345920570 162276182 /nfs/dbraw/zinc/27/61/82/162276182.db2.gz COMCSTYDWOXZQS-UHFFFAOYSA-N -1 3 287.275 2.565 20 5 CFBDHM O=C([N-]c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])o1 ZINC000005568225 170114492 /nfs/dbraw/zinc/11/44/92/170114492.db2.gz BGLSJFQPLVXKMD-UHFFFAOYSA-N -1 3 268.175 2.718 20 5 CFBDHM O=C([O-])CC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000044428283 175175692 /nfs/dbraw/zinc/17/56/92/175175692.db2.gz GRXYNSUXPYAZLU-LBPRGKRZSA-N -1 3 292.335 2.672 20 5 CFBDHM O=C([O-])CC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000044428281 175175705 /nfs/dbraw/zinc/17/57/05/175175705.db2.gz GRXYNSUXPYAZLU-GFCCVEGCSA-N -1 3 292.335 2.672 20 5 CFBDHM O=C([O-])C1(NCc2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000532881183 270869419 /nfs/dbraw/zinc/86/94/19/270869419.db2.gz KIZLSYUDQZHWSG-UHFFFAOYSA-N -1 3 298.726 2.735 20 5 CFBDHM CC[C@H]1C[C@@H](C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330456461 281227138 /nfs/dbraw/zinc/22/71/38/281227138.db2.gz PDMCQCPKCKCWAM-PWSUYJOCSA-N -1 3 264.325 2.921 20 5 CFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566219968 290359196 /nfs/dbraw/zinc/35/91/96/290359196.db2.gz IGVCPNATLHOTSJ-NQBHXWOUSA-N -1 3 292.335 2.698 20 5 CFBDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C)CCCC1 ZINC000049078685 302047407 /nfs/dbraw/zinc/04/74/07/302047407.db2.gz GGXDBJMWYFNOBA-UHFFFAOYSA-N -1 3 298.364 2.514 20 5 CFBDHM CCn1cc([N-]c2nc3c(cc2[N+](=O)[O-])CCCC3)cn1 ZINC000578762192 324887001 /nfs/dbraw/zinc/88/70/01/324887001.db2.gz CIQZRHMRVJDBBX-UHFFFAOYSA-N -1 3 287.323 2.829 20 5 CFBDHM Cc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(F)c1 ZINC000068966060 525241125 /nfs/dbraw/zinc/24/11/25/525241125.db2.gz DGZVOVXDWRSVKX-UHFFFAOYSA-N -1 3 264.212 2.888 20 5 CFBDHM Cc1nc2ccc([N-]C(=O)c3ccc([N+](=O)[O-])o3)cc2o1 ZINC000079035394 527146777 /nfs/dbraw/zinc/14/67/77/527146777.db2.gz FDJULRDGDRORPR-UHFFFAOYSA-N -1 3 287.231 2.890 20 5 CFBDHM O=C([O-])CC[C@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000050925118 527599659 /nfs/dbraw/zinc/59/96/59/527599659.db2.gz HKXRPNDKYARSPJ-CYBMUJFWSA-N -1 3 292.335 2.814 20 5 CFBDHM O=C([O-])C1(NCc2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000739514046 574216383 /nfs/dbraw/zinc/21/63/83/574216383.db2.gz OQLFSLBEZJNVTF-UHFFFAOYSA-N -1 3 296.298 2.611 20 5 CFBDHM O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1[O-] ZINC000750145894 574327765 /nfs/dbraw/zinc/32/77/65/574327765.db2.gz KQYMXYIGQKNZBF-UHFFFAOYSA-N -1 3 291.234 2.797 20 5 CFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC000750147906 574327797 /nfs/dbraw/zinc/32/77/97/574327797.db2.gz XDWWHKAFEDPYNN-UHFFFAOYSA-N -1 3 291.234 2.797 20 5 CFBDHM CC(C)(CC(=O)[O-])NCc1cc([N+](=O)[O-])ccc1Cl ZINC000736310968 574361577 /nfs/dbraw/zinc/36/15/77/574361577.db2.gz BYAKGMHOQUSFMN-UHFFFAOYSA-N -1 3 286.715 2.591 20 5 CFBDHM CCN(CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C)C(=O)[O-] ZINC000827150626 604955483 /nfs/dbraw/zinc/95/54/83/604955483.db2.gz KRTFEOQHPAYFCD-LLVKDONJSA-N -1 3 295.339 2.554 20 5 CFBDHM CCN(CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000827151037 604956355 /nfs/dbraw/zinc/95/63/55/604956355.db2.gz RZSQBKSOANPFKG-NSHDSACASA-N -1 3 295.339 2.554 20 5 CFBDHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](C(=O)[O-])C1CC1 ZINC000833694682 605131180 /nfs/dbraw/zinc/13/11/80/605131180.db2.gz XVXGCCWNUYLLKO-GFCCVEGCSA-N -1 3 298.726 2.543 20 5 CFBDHM O=C(Nc1ccc([O-])cc1F)c1ccc([N+](=O)[O-])cc1F ZINC000070333245 625302015 /nfs/dbraw/zinc/30/20/15/625302015.db2.gz ZPKSQOLGTBDXNE-UHFFFAOYSA-N -1 3 294.213 2.831 20 5 CFBDHM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)C ZINC000108459737 619360765 /nfs/dbraw/zinc/36/07/65/619360765.db2.gz ADTCEUXKZXMACA-LBPRGKRZSA-N -1 3 261.281 2.590 20 5 CFBDHM O=c1[n-]ccc(NCC[C@H]2CCC3(CCC3)O2)c1[N+](=O)[O-] ZINC000896552552 619761205 /nfs/dbraw/zinc/76/12/05/619761205.db2.gz DICALRCXJXIJHR-SNVBAGLBSA-N -1 3 293.323 2.599 20 5 CFBDHM CC1(C)C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000897063672 619923800 /nfs/dbraw/zinc/92/38/00/619923800.db2.gz PBMLQPRKAKHTDU-QMMMGPOBSA-N -1 3 283.353 2.782 20 5 CFBDHM Cc1cc(=O)[n-]c(CSCc2ccccc2[N+](=O)[O-])n1 ZINC000763208013 626970506 /nfs/dbraw/zinc/97/05/06/626970506.db2.gz GJYWTEKAFPLGHL-UHFFFAOYSA-N -1 3 291.332 2.832 20 5 CFBDHM Cc1cc(=O)[n-]c(CSCc2cccc([N+](=O)[O-])c2)n1 ZINC000763217205 626970948 /nfs/dbraw/zinc/97/09/48/626970948.db2.gz RNVCUNSCKGCITB-UHFFFAOYSA-N -1 3 291.332 2.832 20 5 CFBDHM COc1ccc(CO[N-]C(=O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000842063974 631520934 /nfs/dbraw/zinc/52/09/34/631520934.db2.gz UUSKGRAGMBGUKP-UHFFFAOYSA-N -1 3 296.323 2.587 20 5 CFBDHM CCC[C@H](O)CCCSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000866031821 638705689 /nfs/dbraw/zinc/70/56/89/638705689.db2.gz AZVXDHLYKMHUNC-VIFPVBQESA-N -1 3 286.353 2.729 20 5 CFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccco1 ZINC000800144786 646156203 /nfs/dbraw/zinc/15/62/03/646156203.db2.gz FTVIBKWHKIQUSO-UHFFFAOYSA-N -1 3 264.212 2.888 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCc2ccccc21 ZINC001225661799 775545231 /nfs/dbraw/zinc/54/52/31/775545231.db2.gz PKNSFODFEHIYBV-GFCCVEGCSA-N -1 3 272.260 2.762 20 5 CFBDHM CCC[C@H](Oc1nccc([O-])c1[N+](=O)[O-])C(C)C ZINC001225667108 775549088 /nfs/dbraw/zinc/54/90/88/775549088.db2.gz PNNWRMCRNBDSCP-JTQLQIEISA-N -1 3 254.286 2.899 20 5 CFBDHM O=c1[n-]ccc(NC[C@]23C[C@H]2CCCC3)c1[N+](=O)[O-] ZINC000695458369 775842199 /nfs/dbraw/zinc/84/21/99/775842199.db2.gz NOZIEONJMQPROK-RNCFNFMXSA-N -1 3 263.297 2.688 20 5 CFBDHM C[C@H]1CCCC[C@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693120 776260000 /nfs/dbraw/zinc/26/00/00/776260000.db2.gz LGHBZTKOMAQKBA-WCBMZHEXSA-N -1 3 276.296 2.824 20 5 CFBDHM CC1(C)C[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CCO1 ZINC001227744222 776276852 /nfs/dbraw/zinc/27/68/52/776276852.db2.gz FHVMTIRACNLNAT-SNVBAGLBSA-N -1 3 291.307 2.808 20 5 CFBDHM CC1(C)C[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CCO1 ZINC001227744222 776276859 /nfs/dbraw/zinc/27/68/59/776276859.db2.gz FHVMTIRACNLNAT-SNVBAGLBSA-N -1 3 291.307 2.808 20 5 CFBDHM Cc1cc2[n-]c(O[C@@H]3C[C@H]4C[C@H]4C3)nc2cc1[N+](=O)[O-] ZINC001228672777 776562167 /nfs/dbraw/zinc/56/21/67/776562167.db2.gz AXVTYPNAIWRYCC-ILWJIGKKSA-N -1 3 273.292 2.957 20 5 CFBDHM Cc1cc2[n-]c(O[C@@H]3CCOC[C@H]3C)nc2cc1[N+](=O)[O-] ZINC001228675969 776563815 /nfs/dbraw/zinc/56/38/15/776563815.db2.gz BTWHZTRKIFDMQD-NOZJJQNGSA-N -1 3 291.307 2.583 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC001228684999 776567756 /nfs/dbraw/zinc/56/77/56/776567756.db2.gz COZQOZANWHEVPV-WPRPVWTQSA-N -1 3 266.297 2.961 20 5 CFBDHM Cc1ccc([C@@H](C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])cn1 ZINC001228686155 776568089 /nfs/dbraw/zinc/56/80/89/776568089.db2.gz LVUYMZSUEUPPFJ-SNVBAGLBSA-N -1 3 289.291 2.847 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H](C)C2CCCC2)c1[N+](=O)[O-] ZINC001228689980 776569186 /nfs/dbraw/zinc/56/91/86/776569186.db2.gz YPDPSXZNUMOXPU-SECBINFHSA-N -1 3 266.297 2.961 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H]2CCCC(=O)C2(C)C)c1[N+](=O)[O-] ZINC001228688974 776569617 /nfs/dbraw/zinc/56/96/17/776569617.db2.gz NPRXEGSKCZUCFO-NSHDSACASA-N -1 3 294.307 2.530 20 5 CFBDHM C[C@H]1CCCC[C@@H]1OCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596077943 349789103 /nfs/dbraw/zinc/78/91/03/349789103.db2.gz WXONUHOOPOYVPI-JQWIXIFHSA-N -1 3 295.339 2.703 20 5 CFBDHM O=c1[n-]ccc(NCCCOC2CCCCC2)c1[N+](=O)[O-] ZINC000596061041 349784798 /nfs/dbraw/zinc/78/47/98/349784798.db2.gz AGBZWBFAJLUVJX-UHFFFAOYSA-N -1 3 295.339 2.847 20 5 CFBDHM CC[C@H](C)C[C@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596138972 349805459 /nfs/dbraw/zinc/80/54/59/349805459.db2.gz PTASEGDFUUSFHW-IUCAKERBSA-N -1 3 253.302 2.932 20 5 CFBDHM CCC1(CC)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596166013 349814879 /nfs/dbraw/zinc/81/48/79/349814879.db2.gz WUVBRMPTTPFDRN-UHFFFAOYSA-N -1 3 265.313 2.712 20 5 CFBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])Cc2ccccc21 ZINC000596178508 349818728 /nfs/dbraw/zinc/81/87/28/349818728.db2.gz LDJPEENRAHJENP-UHFFFAOYSA-N -1 3 299.330 2.993 20 5 CFBDHM Cc1ccc([C@@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc1 ZINC000596193747 349823227 /nfs/dbraw/zinc/82/32/27/349823227.db2.gz NJKOYWQPYPRGER-CYBMUJFWSA-N -1 3 299.330 2.998 20 5 CFBDHM Cc1ccc([C@@H]2C[C@H]2Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000596286565 349853081 /nfs/dbraw/zinc/85/30/81/349853081.db2.gz NOLLQADWTCTQKK-WCQYABFASA-N -1 3 285.303 2.972 20 5 CFBDHM O=c1[n-]ccc(N2CCC[C@@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000596528391 349931197 /nfs/dbraw/zinc/93/11/97/349931197.db2.gz ZPZQWPJFUGTINP-LLVKDONJSA-N -1 3 277.324 2.712 20 5 CFBDHM COc1cc(CNCC2=CCCCC2)c([N+](=O)[O-])cc1[O-] ZINC000295142012 199370080 /nfs/dbraw/zinc/37/00/80/199370080.db2.gz PZRJKXGASDJYBM-UHFFFAOYSA-N -1 3 292.335 2.899 20 5 CFBDHM O=C([N-]c1ccn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])o1 ZINC000042653282 346369180 /nfs/dbraw/zinc/36/91/80/346369180.db2.gz UFDFGSZMUQWCJQ-UHFFFAOYSA-N -1 3 298.258 2.626 20 5 CFBDHM CCn1nc(C)c([N+](=O)[O-])c1Sc1ccccc1[O-] ZINC000091549620 347592219 /nfs/dbraw/zinc/59/22/19/347592219.db2.gz JIKYTUZCQRXTNV-UHFFFAOYSA-N -1 3 279.321 2.976 20 5 CFBDHM C[C@@H]1[C@@H](C)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000092737157 347643463 /nfs/dbraw/zinc/64/34/63/347643463.db2.gz ZNGOZXWXLXSXPK-WDEREUQCSA-N -1 3 264.325 2.921 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCc2ccccc2CC1 ZINC000093385284 347671814 /nfs/dbraw/zinc/67/18/14/347671814.db2.gz UGZBCHKSBKXTAN-UHFFFAOYSA-N -1 3 298.342 2.901 20 5 CFBDHM Cc1ccc(S(=O)(=O)[N-]C2CCCCC2)c([N+](=O)[O-])c1 ZINC000147195648 347947434 /nfs/dbraw/zinc/94/74/34/347947434.db2.gz WYQYRDGHILXCNN-UHFFFAOYSA-N -1 3 298.364 2.514 20 5 CFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783774 179331965 /nfs/dbraw/zinc/33/19/65/179331965.db2.gz PKLGDKDXBIIRBK-XHDPSFHLSA-N -1 3 292.335 2.843 20 5 CFBDHM Cc1nccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1Cl ZINC000163916969 348036164 /nfs/dbraw/zinc/03/61/64/348036164.db2.gz IBEDNFLBQXCKCN-UHFFFAOYSA-N -1 3 281.655 2.797 20 5 CFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@](C)(C(=O)[O-])C1 ZINC000227832010 348191161 /nfs/dbraw/zinc/19/11/61/348191161.db2.gz SNRGZBQQLIUHGV-NHYWBVRUSA-N -1 3 292.335 2.843 20 5 CFBDHM CCc1nn(C)cc1[N-]c1ncc([N+](=O)[O-])cc1Cl ZINC000091026326 180089383 /nfs/dbraw/zinc/08/93/83/180089383.db2.gz IYIHRDJMELTCIF-UHFFFAOYSA-N -1 3 281.703 2.683 20 5 CFBDHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn(CC3CC3)c2)n1 ZINC000611616639 351714385 /nfs/dbraw/zinc/71/43/85/351714385.db2.gz CIBUZMPMCUVMDG-UHFFFAOYSA-N -1 3 287.323 2.957 20 5 CFBDHM CC[C@H](C)CON=C([O-])Nc1cc([N+](=O)[O-])ccc1OC ZINC000291724684 198070847 /nfs/dbraw/zinc/07/08/47/198070847.db2.gz HREYYOUEPFGBAX-VIFPVBQESA-N -1 3 297.311 2.703 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000291724684 198070849 /nfs/dbraw/zinc/07/08/49/198070849.db2.gz HREYYOUEPFGBAX-VIFPVBQESA-N -1 3 297.311 2.703 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000293815428 198783941 /nfs/dbraw/zinc/78/39/41/198783941.db2.gz UOWQVEAWXZCNEO-QMMMGPOBSA-N -1 3 286.715 2.956 20 5 CFBDHM Cc1ccc([O-])c(CN2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC000093338254 375218412 /nfs/dbraw/zinc/21/84/12/375218412.db2.gz FDLMNMDSHIUOEM-UHFFFAOYSA-N -1 3 299.330 2.562 20 5 CFBDHM CCc1noc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120884571 376715541 /nfs/dbraw/zinc/71/55/41/376715541.db2.gz HVIDJPAVTSUPCC-UHFFFAOYSA-N -1 3 275.264 2.706 20 5 CFBDHM COc1ccc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000154592058 378583557 /nfs/dbraw/zinc/58/35/57/378583557.db2.gz RMBKEEFOIIVYJL-UHFFFAOYSA-N -1 3 280.211 2.588 20 5 CFBDHM O=C(c1cccc([O-])c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000181843140 380912405 /nfs/dbraw/zinc/91/24/05/380912405.db2.gz QOYANXNKZCWCAM-UHFFFAOYSA-N -1 3 284.271 2.503 20 5 CFBDHM CCc1nnc([N-]C(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000185903390 381773057 /nfs/dbraw/zinc/77/30/57/381773057.db2.gz NPECFPHGVNFDLY-UHFFFAOYSA-N -1 3 292.320 2.569 20 5 CFBDHM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1ncoc1C1CC1 ZINC000352102628 382171543 /nfs/dbraw/zinc/17/15/43/382171543.db2.gz PIDBBMCNZDMJES-UHFFFAOYSA-N -1 3 291.238 2.852 20 5 CFBDHM Cc1c(CN2C[C@H](C(=O)[O-])CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000397021687 382632390 /nfs/dbraw/zinc/63/23/90/382632390.db2.gz RSPAUSCFKLVSKK-ZWNOBZJWSA-N -1 3 292.335 2.588 20 5 CFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000579591874 383032225 /nfs/dbraw/zinc/03/22/25/383032225.db2.gz RNJYDFASOSVMQL-GYSYKLTISA-N -1 3 292.335 2.698 20 5 CFBDHM CCN(CCC1CC1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339092808 383146137 /nfs/dbraw/zinc/14/61/37/383146137.db2.gz CTHPBTOFBDJHTQ-UHFFFAOYSA-N -1 3 264.325 2.922 20 5 CFBDHM Cn1c(C(=O)Nc2ccc(Cl)cc2[O-])ccc1[N+](=O)[O-] ZINC000339006820 383118700 /nfs/dbraw/zinc/11/87/00/383118700.db2.gz DHBFUANIBHTNQS-UHFFFAOYSA-N -1 3 295.682 2.545 20 5 CFBDHM Cc1cc(=O)[n-]c(C=CC=Cc2ccccc2[N+](=O)[O-])n1 ZINC000339116342 383154446 /nfs/dbraw/zinc/15/44/46/383154446.db2.gz LJOOQAPPWUOOJZ-NINQLNBYSA-N -1 3 283.287 2.713 20 5 CFBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000340277027 383400249 /nfs/dbraw/zinc/40/02/49/383400249.db2.gz FZCLPVCUFCHGMU-UHFFFAOYSA-N -1 3 298.342 2.900 20 5 CFBDHM CC1(C)CC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000569883736 383547145 /nfs/dbraw/zinc/54/71/45/383547145.db2.gz ZWVWQWSRVWDKEV-LBPRGKRZSA-N -1 3 250.298 2.579 20 5 CFBDHM Cc1nc([N-]C(=O)c2cc(C(C)C)no2)ccc1[N+](=O)[O-] ZINC000268541769 132024630 /nfs/dbraw/zinc/02/46/30/132024630.db2.gz LBSSWYICKVXRGY-UHFFFAOYSA-N -1 3 290.279 2.662 20 5 CFBDHM O=C(Nc1ncccc1[O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000076989221 393694046 /nfs/dbraw/zinc/69/40/46/393694046.db2.gz DGYYCCFDTSVKBM-UHFFFAOYSA-N -1 3 293.666 2.601 20 5 CFBDHM O=c1[nH]c(Cc2ccccc2[N+](=O)[O-])nc2ccc([O-])cc12 ZINC000436927689 394035230 /nfs/dbraw/zinc/03/52/30/394035230.db2.gz QISFMWVSDASCRI-UHFFFAOYSA-N -1 3 297.270 2.540 20 5 CFBDHM Cc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000140050983 394245037 /nfs/dbraw/zinc/24/50/37/394245037.db2.gz QBSGXOZLJQNUQE-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM CC1(C)CCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000330454903 278236226 /nfs/dbraw/zinc/23/62/26/278236226.db2.gz NMWPCLUPXMSCMU-ZDUSSCGKSA-N -1 3 264.325 2.969 20 5 CFBDHM CC(C)n1cc([N-]c2ncc([N+](=O)[O-])cc2F)cn1 ZINC000565997066 290339785 /nfs/dbraw/zinc/33/97/85/290339785.db2.gz QQVGIGDADMTKNE-UHFFFAOYSA-N -1 3 265.248 2.650 20 5 CFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000566219966 290359100 /nfs/dbraw/zinc/35/91/00/290359100.db2.gz IGVCPNATLHOTSJ-MDZLAQPJSA-N -1 3 292.335 2.698 20 5 CFBDHM Cc1cnc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)nc1 ZINC000133670443 334049527 /nfs/dbraw/zinc/04/95/27/334049527.db2.gz RYKVJGLZAXTHSE-UHFFFAOYSA-N -1 3 288.310 2.842 20 5 CFBDHM CC(C)(C)n1cc([N-]c2ncccc2[N+](=O)[O-])cn1 ZINC000049441705 519165664 /nfs/dbraw/zinc/16/56/64/519165664.db2.gz QFTXEJVBBXIXLM-UHFFFAOYSA-N -1 3 261.285 2.685 20 5 CFBDHM O=[N+]([O-])c1cc(Cl)cnc1[N-]c1cnn(C(F)F)c1 ZINC000361668823 527336019 /nfs/dbraw/zinc/33/60/19/527336019.db2.gz BADUTODHBAVRMO-UHFFFAOYSA-N -1 3 289.629 2.978 20 5 CFBDHM O=C(Nc1ncccc1[O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000743805603 574372604 /nfs/dbraw/zinc/37/26/04/574372604.db2.gz LVXQOUADNFXQKB-UHFFFAOYSA-N -1 3 293.666 2.601 20 5 CFBDHM CC(C)[C@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820021132 599099332 /nfs/dbraw/zinc/09/93/32/599099332.db2.gz PPCRJYFTVSUKEA-QMMMGPOBSA-N -1 3 293.352 2.912 20 5 CFBDHM CC(C)[C@H](C)Sc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820021132 599099333 /nfs/dbraw/zinc/09/93/33/599099333.db2.gz PPCRJYFTVSUKEA-QMMMGPOBSA-N -1 3 293.352 2.912 20 5 CFBDHM C[C@]12CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000896900393 619871553 /nfs/dbraw/zinc/87/15/53/619871553.db2.gz LLJQUMYXAISGDA-BQVMBELUSA-N -1 3 289.335 2.568 20 5 CFBDHM Cc1[n-]n(-c2cccc([N+](=O)[O-])c2C)c(=O)c1C(C)C ZINC000899349365 620549709 /nfs/dbraw/zinc/54/97/09/620549709.db2.gz BEKPVFUDQJSVOU-CYBMUJFWSA-N -1 3 275.308 2.898 20 5 CFBDHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)[N-]OC1CCC1 ZINC000908569848 622246384 /nfs/dbraw/zinc/24/63/84/622246384.db2.gz XMEILMGNHCRKAL-UHFFFAOYSA-N -1 3 298.726 2.781 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000820278394 622640497 /nfs/dbraw/zinc/64/04/97/622640497.db2.gz BGIXFNPXUFDGDH-SNVBAGLBSA-N -1 3 298.314 2.760 20 5 CFBDHM O=[N+]([O-])c1ccc(Cl)cc1CNCc1ncccc1[O-] ZINC000793255335 629515530 /nfs/dbraw/zinc/51/55/30/629515530.db2.gz HCXHTKICANCFOV-UHFFFAOYSA-N -1 3 293.710 2.639 20 5 CFBDHM CC(C)(C)CN(CC(=O)[O-])Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852739810 634817710 /nfs/dbraw/zinc/81/77/10/634817710.db2.gz HCLMVWFSXHBWFN-UHFFFAOYSA-N -1 3 298.314 2.667 20 5 CFBDHM CC(C)(CCC(=O)Nc1c([O-])cccc1Cl)[N+](=O)[O-] ZINC000848140489 633209067 /nfs/dbraw/zinc/20/90/67/633209067.db2.gz SBUGHVBCBHSIQX-UHFFFAOYSA-N -1 3 286.715 2.820 20 5 CFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ccnc(F)c1F ZINC000097866131 651046440 /nfs/dbraw/zinc/04/64/40/651046440.db2.gz FUWICTVXMFQWRS-UHFFFAOYSA-N -1 3 297.192 2.659 20 5 CFBDHM C[C@H]1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225667230 775548442 /nfs/dbraw/zinc/54/84/42/775548442.db2.gz QBGUUNIMZVSDEX-IUCAKERBSA-N -1 3 252.270 2.653 20 5 CFBDHM C[C@@H]1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])[C@@H]1C ZINC001225666756 775549501 /nfs/dbraw/zinc/54/95/01/775549501.db2.gz LZVPDKBLARHZSU-FXPVBKGRSA-N -1 3 266.297 2.899 20 5 CFBDHM O=[N+]([O-])c1cccc([O-])c1O[C@H]1COCc2ccccc21 ZINC001226334410 775783010 /nfs/dbraw/zinc/78/30/10/775783010.db2.gz ULBKMCTVHFWLCG-AWEZNQCLSA-N -1 3 287.271 2.951 20 5 CFBDHM Cc1nc(O[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(=O)[n-]1 ZINC001226512903 775855614 /nfs/dbraw/zinc/85/56/14/775855614.db2.gz WKOVNSHTYGUCGV-QMMMGPOBSA-N -1 3 275.264 2.539 20 5 CFBDHM O=[N+]([O-])c1ccc2nc(OC[C@H]3CCC=CO3)[n-]c2c1 ZINC001227745930 776276651 /nfs/dbraw/zinc/27/66/51/776276651.db2.gz PAJIBVOYADWSTG-SNVBAGLBSA-N -1 3 275.264 2.543 20 5 CFBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@H]3CCC=CO3)nc2c1 ZINC001227745930 776276653 /nfs/dbraw/zinc/27/66/53/776276653.db2.gz PAJIBVOYADWSTG-SNVBAGLBSA-N -1 3 275.264 2.543 20 5 CFBDHM Cc1ccc([C@H](C)Oc2cc(=O)[n-]c(C)c2[N+](=O)[O-])cn1 ZINC001228686154 776567563 /nfs/dbraw/zinc/56/75/63/776567563.db2.gz LVUYMZSUEUPPFJ-JTQLQIEISA-N -1 3 289.291 2.847 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC001228687608 776569871 /nfs/dbraw/zinc/56/98/71/776569871.db2.gz ZALGVBOFYHZKMJ-APPZFPTMSA-N -1 3 252.270 2.571 20 5 CFBDHM C[C@@H]1CCC[C@H](Oc2nccc([O-])c2[N+](=O)[O-])[C@H]1C ZINC001225666760 777156290 /nfs/dbraw/zinc/15/62/90/777156290.db2.gz LZVPDKBLARHZSU-YWVKMMECSA-N -1 3 266.297 2.899 20 5 CFBDHM C[C@@H](Oc1c([O-])cccc1[N+](=O)[O-])c1ncccc1F ZINC001226334591 777511742 /nfs/dbraw/zinc/51/17/42/777511742.db2.gz WMQGCHUPHTVSPQ-MRVPVSSYSA-N -1 3 278.239 2.975 20 5 CFBDHM Cc1ncsc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F ZINC000128485326 778529815 /nfs/dbraw/zinc/52/98/15/778529815.db2.gz KZFSPIRKBHPFRL-UHFFFAOYSA-N -1 3 299.258 2.890 20 5 CFBDHM CC1(C)C[C@@]1(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000702424729 780924898 /nfs/dbraw/zinc/92/48/98/780924898.db2.gz ZNSSDLFJYJKFNQ-LBPRGKRZSA-N -1 3 251.286 2.544 20 5 CFBDHM C[C@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596073311 349787249 /nfs/dbraw/zinc/78/72/49/349787249.db2.gz JSFVIMNMDRVMAA-IUCAKERBSA-N -1 3 251.286 2.686 20 5 CFBDHM CC(C)C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596144437 349807110 /nfs/dbraw/zinc/80/71/10/349807110.db2.gz FZNRTXGVXAVYSM-SNVBAGLBSA-N -1 3 265.313 2.568 20 5 CFBDHM C[C@@]1(c2ccccc2)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596166372 349815267 /nfs/dbraw/zinc/81/52/67/349815267.db2.gz XMWFCCIPJUIAKG-MRXNPFEDSA-N -1 3 299.330 2.863 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC000596225165 349833146 /nfs/dbraw/zinc/83/31/46/349833146.db2.gz BGKBTNKWBXMZAB-QMMMGPOBSA-N -1 3 287.266 2.933 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000596219294 349830331 /nfs/dbraw/zinc/83/03/31/349830331.db2.gz PGNMOPGRROODIV-SSDOTTSWSA-N -1 3 273.239 2.543 20 5 CFBDHM CC(C)(C)C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596261518 349845716 /nfs/dbraw/zinc/84/57/16/349845716.db2.gz WFOJYGBNSXHDRL-JTQLQIEISA-N -1 3 279.340 2.958 20 5 CFBDHM Cc1ccccc1[C@@H]1C[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596289939 349854198 /nfs/dbraw/zinc/85/41/98/349854198.db2.gz ICTBOVDVKIGMKO-WCQYABFASA-N -1 3 285.303 2.972 20 5 CFBDHM Cc1cnc([N-]c2cnn(-c3ccccn3)c2)c([N+](=O)[O-])c1 ZINC000078666288 347269060 /nfs/dbraw/zinc/26/90/60/347269060.db2.gz SMWMNYOKEILVJG-UHFFFAOYSA-N -1 3 296.290 2.623 20 5 CFBDHM C[C@@H](N(C)Cc1cc([O-])ccc1[N+](=O)[O-])C1(C)CC1 ZINC000091900223 347602101 /nfs/dbraw/zinc/60/21/01/347602101.db2.gz HCTQQNUZJUWRSC-SNVBAGLBSA-N -1 3 264.325 2.921 20 5 CFBDHM CC(C)(C)CN(CCCO)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093145894 347662895 /nfs/dbraw/zinc/66/28/95/347662895.db2.gz YGIDQPQJWIUPBK-UHFFFAOYSA-N -1 3 296.367 2.531 20 5 CFBDHM CCC(C)(C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093279267 347667227 /nfs/dbraw/zinc/66/72/27/347667227.db2.gz VIGKHIAXVCMUQE-UHFFFAOYSA-N -1 3 252.314 2.921 20 5 CFBDHM CC[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593744785 349318645 /nfs/dbraw/zinc/31/86/45/349318645.db2.gz WXXCZRXIIPXEOV-SNVBAGLBSA-N -1 3 278.308 2.525 20 5 CFBDHM O=C([O-])CN(Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000593746948 349319814 /nfs/dbraw/zinc/31/98/14/349319814.db2.gz YBEASMDIZZSCSD-UHFFFAOYSA-N -1 3 298.364 2.876 20 5 CFBDHM CC(C)Oc1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)ccn1 ZINC000614591627 352105431 /nfs/dbraw/zinc/10/54/31/352105431.db2.gz LSJDZZSWJDEFPP-UHFFFAOYSA-N -1 3 291.263 2.622 20 5 CFBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]OC1CCCC1 ZINC000135144096 187800539 /nfs/dbraw/zinc/80/05/39/187800539.db2.gz HYQKOXYWITYQQS-JXMROGBWSA-N -1 3 276.292 2.598 20 5 CFBDHM COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1[O-] ZINC000427804158 239338136 /nfs/dbraw/zinc/33/81/36/239338136.db2.gz CHMFQRHXRSKCSI-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM O=C([N-]c1cc2c(cn1)CCCC2)c1ccc([N+](=O)[O-])o1 ZINC000362270517 284288167 /nfs/dbraw/zinc/28/81/67/284288167.db2.gz OUDKWQRYMZNACU-UHFFFAOYSA-N -1 3 287.275 2.714 20 5 CFBDHM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]OC1CCCCC1 ZINC000492753497 246376037 /nfs/dbraw/zinc/37/60/37/246376037.db2.gz REVUFZQVLYTYMV-DHZHZOJOSA-N -1 3 290.319 2.989 20 5 CFBDHM O=[N+]([O-])c1cccc(NC([O-])=NOC2CCCC2)c1 ZINC000089265133 374893136 /nfs/dbraw/zinc/89/31/36/374893136.db2.gz AXMHDNVFRVSZBQ-UHFFFAOYSA-N -1 3 265.269 2.591 20 5 CFBDHM O=C([N-]OC1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000089265133 374893142 /nfs/dbraw/zinc/89/31/42/374893142.db2.gz AXMHDNVFRVSZBQ-UHFFFAOYSA-N -1 3 265.269 2.591 20 5 CFBDHM CCc1nn(C)c(Sc2cccc([O-])c2)c1[N+](=O)[O-] ZINC000131050531 377650096 /nfs/dbraw/zinc/65/00/96/377650096.db2.gz STYDEJZMHORKNC-UHFFFAOYSA-N -1 3 279.321 2.748 20 5 CFBDHM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000330452987 378559730 /nfs/dbraw/zinc/55/97/30/378559730.db2.gz LEZNYYTZHDZJGR-ZJUUUORDSA-N -1 3 250.298 2.531 20 5 CFBDHM Cc1ccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cc1[O-] ZINC000181105267 380739665 /nfs/dbraw/zinc/73/96/65/380739665.db2.gz BIOCBENGRPQPKM-UHFFFAOYSA-N -1 3 298.298 2.812 20 5 CFBDHM CO[C@@](C)([C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000411972847 381078561 /nfs/dbraw/zinc/07/85/61/381078561.db2.gz QSKDMKQBDYDTLM-BMIGLBTASA-N -1 3 294.351 2.594 20 5 CFBDHM C[C@H]1CC(C)(C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000412047122 381124838 /nfs/dbraw/zinc/12/48/38/381124838.db2.gz RXQGFLATVSQREA-JTQLQIEISA-N -1 3 264.325 2.921 20 5 CFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC([O-])=NOC(C)C ZINC000296537138 381437560 /nfs/dbraw/zinc/43/75/60/381437560.db2.gz FZXDMHFIAMZNIE-UHFFFAOYSA-N -1 3 267.285 2.673 20 5 CFBDHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[N-]OC(C)C ZINC000296537138 381437564 /nfs/dbraw/zinc/43/75/64/381437564.db2.gz FZXDMHFIAMZNIE-UHFFFAOYSA-N -1 3 267.285 2.673 20 5 CFBDHM CC(C)(CCC(=O)Nc1ccc(Cl)cc1[O-])[N+](=O)[O-] ZINC000296656418 381493529 /nfs/dbraw/zinc/49/35/29/381493529.db2.gz XXSVDDHRPKOSKZ-UHFFFAOYSA-N -1 3 286.715 2.820 20 5 CFBDHM Cc1nc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c(C)o1 ZINC000352101722 382171884 /nfs/dbraw/zinc/17/18/84/382171884.db2.gz DCEZCYCIMGDYBD-UHFFFAOYSA-N -1 3 279.227 2.591 20 5 CFBDHM Cc1cc([N+](=O)[O-])ccc1Cc1nc2cccnc2c(=O)[n-]1 ZINC000337663398 382853156 /nfs/dbraw/zinc/85/31/56/382853156.db2.gz NQLOHAXRRQUWPT-UHFFFAOYSA-N -1 3 296.286 2.538 20 5 CFBDHM C[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1C ZINC000339005740 383118579 /nfs/dbraw/zinc/11/85/79/383118579.db2.gz ZNGOZXWXLXSXPK-QWRGUYRKSA-N -1 3 264.325 2.921 20 5 CFBDHM Cc1cc(=O)[n-]c(C=Cc2csc([N+](=O)[O-])c2)n1 ZINC000339115794 383154820 /nfs/dbraw/zinc/15/48/20/383154820.db2.gz TVXSGTSQAAOWJT-NSCUHMNNSA-N -1 3 263.278 2.631 20 5 CFBDHM Cc1cc(=O)[n-]c(C=Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000339118667 383155585 /nfs/dbraw/zinc/15/55/85/383155585.db2.gz YVQJGJBUQOFVMP-WAYWQWQTSA-N -1 3 271.276 2.878 20 5 CFBDHM CC(C)c1ccc(CN(C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000263439641 383666598 /nfs/dbraw/zinc/66/65/98/383666598.db2.gz VWJMIDKPKKPMJI-UHFFFAOYSA-N -1 3 280.324 2.625 20 5 CFBDHM COc1ccc(NC([O-])=NOC2CCCC2)cc1[N+](=O)[O-] ZINC000272839475 385630143 /nfs/dbraw/zinc/63/01/43/385630143.db2.gz OHEACWNXORKYLZ-UHFFFAOYSA-N -1 3 295.295 2.599 20 5 CFBDHM COc1ccc(NC(=O)[N-]OC2CCCC2)cc1[N+](=O)[O-] ZINC000272839475 385630149 /nfs/dbraw/zinc/63/01/49/385630149.db2.gz OHEACWNXORKYLZ-UHFFFAOYSA-N -1 3 295.295 2.599 20 5 CFBDHM Cc1conc1[N-]C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000123363529 393980069 /nfs/dbraw/zinc/98/00/69/393980069.db2.gz SVSXUNHKRWWBHO-UHFFFAOYSA-N -1 3 281.655 2.797 20 5 CFBDHM CCO[C@@H]1CCCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000449758895 286205380 /nfs/dbraw/zinc/20/53/80/286205380.db2.gz HRRLLEKUICWOSW-UKRRQHHQSA-N -1 3 294.351 2.738 20 5 CFBDHM O=[N+]([O-])c1ccc(CNCc2c(F)ccc([O-])c2F)cc1 ZINC000352760059 163228169 /nfs/dbraw/zinc/22/81/69/163228169.db2.gz NKTWTKSDYOVYDA-UHFFFAOYSA-N -1 3 294.257 2.868 20 5 CFBDHM O=C([N-]c1ccsc1Cl)c1ccc([N+](=O)[O-])cn1 ZINC000527340708 281329706 /nfs/dbraw/zinc/32/97/06/281329706.db2.gz IRYRHPNTFHPULD-UHFFFAOYSA-N -1 3 283.696 2.957 20 5 CFBDHM CO[C@](C)([C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000411972851 294778943 /nfs/dbraw/zinc/77/89/43/294778943.db2.gz QSKDMKQBDYDTLM-MEBBXXQBSA-N -1 3 294.351 2.594 20 5 CFBDHM Cc1cc(C(=O)Nc2ccccc2[O-])cc([N+](=O)[O-])c1 ZINC000049175004 524179837 /nfs/dbraw/zinc/17/98/37/524179837.db2.gz ZONCOMXCKQZCAM-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn(C(F)F)c2)n1 ZINC000361666342 526063748 /nfs/dbraw/zinc/06/37/48/526063748.db2.gz KJDYLIMJGFIKEV-UHFFFAOYSA-N -1 3 269.211 2.633 20 5 CFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccccc1[O-] ZINC000088281109 526604170 /nfs/dbraw/zinc/60/41/70/526604170.db2.gz JFLDWUKBSUMCLE-UHFFFAOYSA-N -1 3 286.287 2.872 20 5 CFBDHM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1ccc([O-])cc1 ZINC000746904123 574170455 /nfs/dbraw/zinc/17/04/55/574170455.db2.gz OUVOVSYRVXNCEE-UHFFFAOYSA-N -1 3 291.234 2.797 20 5 CFBDHM CC(C)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820021384 599099378 /nfs/dbraw/zinc/09/93/78/599099378.db2.gz SYAQGISCBGEFHA-QMMMGPOBSA-N -1 3 293.352 2.912 20 5 CFBDHM CC(C)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820021384 599099380 /nfs/dbraw/zinc/09/93/80/599099380.db2.gz SYAQGISCBGEFHA-QMMMGPOBSA-N -1 3 293.352 2.912 20 5 CFBDHM O=[N+]([O-])c1ccc(Sc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826499563 608381329 /nfs/dbraw/zinc/38/13/29/608381329.db2.gz NMVQKPVDIYDXDZ-UHFFFAOYSA-N -1 3 299.315 2.926 20 5 CFBDHM O=[N+]([O-])c1ccc(Sc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826499563 608381331 /nfs/dbraw/zinc/38/13/31/608381331.db2.gz NMVQKPVDIYDXDZ-UHFFFAOYSA-N -1 3 299.315 2.926 20 5 CFBDHM CC[C@H](C(=O)[O-])N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633520 619041812 /nfs/dbraw/zinc/04/18/12/619041812.db2.gz MMEFNNCNDAZRIB-SNVBAGLBSA-N -1 3 286.715 2.543 20 5 CFBDHM Cc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000263332235 620134522 /nfs/dbraw/zinc/13/45/22/620134522.db2.gz LSPJPDCIJWYDBC-AAEUAGOBSA-N -1 3 292.335 2.588 20 5 CFBDHM Cc1[n-]n(-c2cccc([N+](=O)[O-])c2C)c(=O)c1C(C)C ZINC000899349366 620549833 /nfs/dbraw/zinc/54/98/33/620549833.db2.gz BEKPVFUDQJSVOU-ZDUSSCGKSA-N -1 3 275.308 2.898 20 5 CFBDHM O=C([O-])C1=CC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000901729957 620902330 /nfs/dbraw/zinc/90/23/30/620902330.db2.gz GEOWTHNZXGLESD-LLVKDONJSA-N -1 3 296.710 2.511 20 5 CFBDHM CN(CCC(C)(C)C(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000859781867 636689354 /nfs/dbraw/zinc/68/93/54/636689354.db2.gz IYACPOHYDMFWET-UHFFFAOYSA-N -1 3 280.324 2.528 20 5 CFBDHM O=c1[n-]ccc(NCC2(CC3CC3)CC2)c1[N+](=O)[O-] ZINC000882773120 645451014 /nfs/dbraw/zinc/45/10/14/645451014.db2.gz AHFOSFMNKYLHLX-UHFFFAOYSA-N -1 3 263.297 2.688 20 5 CFBDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cncs1 ZINC000800144788 646155968 /nfs/dbraw/zinc/15/59/68/646155968.db2.gz FUWNOWOYPJIPMY-UHFFFAOYSA-N -1 3 281.268 2.751 20 5 CFBDHM Cc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1[N+](=O)[O-] ZINC000020448671 651297954 /nfs/dbraw/zinc/29/79/54/651297954.db2.gz BGLBYAAKCBZKAH-UHFFFAOYSA-N -1 3 291.219 2.657 20 5 CFBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccc(F)c1 ZINC001225661114 775545135 /nfs/dbraw/zinc/54/51/35/775545135.db2.gz JFZATRYDWDLCFB-QMMMGPOBSA-N -1 3 278.239 2.975 20 5 CFBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccc(F)c1 ZINC001225661112 775545421 /nfs/dbraw/zinc/54/54/21/775545421.db2.gz JFZATRYDWDLCFB-MRVPVSSYSA-N -1 3 278.239 2.975 20 5 CFBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1F ZINC001225662054 775546735 /nfs/dbraw/zinc/54/67/35/775546735.db2.gz QNNUPQJEZMYHSH-MRVPVSSYSA-N -1 3 278.239 2.975 20 5 CFBDHM COc1ccc([C@H](C)Oc2nccc([O-])c2[N+](=O)[O-])cc1 ZINC001225665686 775548415 /nfs/dbraw/zinc/54/84/15/775548415.db2.gz DCASOHQMLHWBSN-VIFPVBQESA-N -1 3 290.275 2.844 20 5 CFBDHM C[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])c1cccnc1Cl ZINC001225667654 775549124 /nfs/dbraw/zinc/54/91/24/775549124.db2.gz VMUSVESLBWBOJP-SSDOTTSWSA-N -1 3 295.682 2.884 20 5 CFBDHM CCC[C@H](CC)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227693295 776258672 /nfs/dbraw/zinc/25/86/72/776258672.db2.gz RRDQCFXLDCGVAX-QMMMGPOBSA-N -1 3 264.285 2.824 20 5 CFBDHM COC1=CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)CC1 ZINC001227743743 776275514 /nfs/dbraw/zinc/27/55/14/776275514.db2.gz XEFUXDMLFXKZSL-NSHDSACASA-N -1 3 289.291 2.933 20 5 CFBDHM COC1=CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)CC1 ZINC001227743743 776275523 /nfs/dbraw/zinc/27/55/23/776275523.db2.gz XEFUXDMLFXKZSL-NSHDSACASA-N -1 3 289.291 2.933 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)COC(C)(C)C)c1[N+](=O)[O-] ZINC001228684874 776568179 /nfs/dbraw/zinc/56/81/79/776568179.db2.gz UFJFHHGVGVHQAR-QMMMGPOBSA-N -1 3 284.312 2.586 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC001228687610 776569366 /nfs/dbraw/zinc/56/93/66/776569366.db2.gz ZALGVBOFYHZKMJ-IONNQARKSA-N -1 3 252.270 2.571 20 5 CFBDHM COC(C)(C)C[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228689299 776569485 /nfs/dbraw/zinc/56/94/85/776569485.db2.gz QYYCYESCZZRDOM-MRVPVSSYSA-N -1 3 284.312 2.586 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC001228687470 776569969 /nfs/dbraw/zinc/56/99/69/776569969.db2.gz XMQKTCYMVWOIAQ-WCBMZHEXSA-N -1 3 266.297 2.961 20 5 CFBDHM Cc1nc(O[C@H](C)c2ccccc2[N+](=O)[O-])c(C)c(=O)[n-]1 ZINC001229684784 776872220 /nfs/dbraw/zinc/87/22/20/776872220.db2.gz GPKKLMLFHWRIQV-SECBINFHSA-N -1 3 289.291 2.847 20 5 CFBDHM CC(C)(C)SCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000695455755 781371113 /nfs/dbraw/zinc/37/11/13/781371113.db2.gz QLHYMTSEQDTCAH-UHFFFAOYSA-N -1 3 271.342 2.639 20 5 CFBDHM CC(C)CC1(NCc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000595000486 349542945 /nfs/dbraw/zinc/54/29/45/349542945.db2.gz MSWDIRQLJMTWRX-UHFFFAOYSA-N -1 3 264.325 2.969 20 5 CFBDHM O=c1[n-]ccc(N2CC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000596118370 349799127 /nfs/dbraw/zinc/79/91/27/349799127.db2.gz XOCVLOXQMQXMEO-GFCCVEGCSA-N -1 3 285.303 2.689 20 5 CFBDHM CC[C@@H](C)C[C@@H](C)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596138973 349805611 /nfs/dbraw/zinc/80/56/11/349805611.db2.gz PTASEGDFUUSFHW-RKDXNWHRSA-N -1 3 253.302 2.932 20 5 CFBDHM O=c1[n-]ccc(N[C@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596147085 349808823 /nfs/dbraw/zinc/80/88/23/349808823.db2.gz RYUDEDQWWLPJQA-YPMHNXCESA-N -1 3 285.303 2.739 20 5 CFBDHM O=c1[n-]ccc(N[C@H]2C[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596147082 349808998 /nfs/dbraw/zinc/80/89/98/349808998.db2.gz RYUDEDQWWLPJQA-AAEUAGOBSA-N -1 3 285.303 2.739 20 5 CFBDHM CCC1(CC)[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1OC ZINC000596167294 349815336 /nfs/dbraw/zinc/81/53/36/349815336.db2.gz BHGYJKVRDRGCQG-GHMZBOCLSA-N -1 3 295.339 2.701 20 5 CFBDHM CC(C)C[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596182332 349819412 /nfs/dbraw/zinc/81/94/12/349819412.db2.gz AYEWZTQTMJAKPV-GHMZBOCLSA-N -1 3 295.339 2.701 20 5 CFBDHM CC1(C2CC2)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596238951 349836396 /nfs/dbraw/zinc/83/63/96/349836396.db2.gz UFVLVOCFNKJNDN-UHFFFAOYSA-N -1 3 277.324 2.712 20 5 CFBDHM CC1(C)CCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596246030 349838863 /nfs/dbraw/zinc/83/88/63/349838863.db2.gz GDQJLFWCCOEWSI-SECBINFHSA-N -1 3 265.313 2.934 20 5 CFBDHM CC(C)[C@]1(C)C[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596269950 349848781 /nfs/dbraw/zinc/84/87/81/349848781.db2.gz IGVRRGIVDQKJGM-SKDRFNHKSA-N -1 3 251.286 2.542 20 5 CFBDHM C[C@]12CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000596260589 349845484 /nfs/dbraw/zinc/84/54/84/349845484.db2.gz LLJQUMYXAISGDA-JNIYBQFBSA-N -1 3 289.335 2.568 20 5 CFBDHM O=c1[n-]ccc(N2CCC(c3ccco3)CC2)c1[N+](=O)[O-] ZINC000596328348 349865384 /nfs/dbraw/zinc/86/53/84/349865384.db2.gz APRREWNVXLFVKR-UHFFFAOYSA-N -1 3 289.291 2.672 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000596474967 349912610 /nfs/dbraw/zinc/91/26/10/349912610.db2.gz UUYZWVCMPBWJOD-UTLUCORTSA-N -1 3 263.297 2.544 20 5 CFBDHM C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](CC(=O)[O-])C1 ZINC000086757593 347489151 /nfs/dbraw/zinc/48/91/51/347489151.db2.gz SQMLTGWGOFAYLE-NWDGAFQWSA-N -1 3 292.335 2.843 20 5 CFBDHM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC000091859223 347601206 /nfs/dbraw/zinc/60/12/06/347601206.db2.gz LEZNYYTZHDZJGR-NXEZZACHSA-N -1 3 250.298 2.531 20 5 CFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CC(=O)[O-])CC1 ZINC000093682238 347681719 /nfs/dbraw/zinc/68/17/19/347681719.db2.gz SXBOVEBWPGLSFS-LLVKDONJSA-N -1 3 292.335 2.843 20 5 CFBDHM COC1CCC(N(C)Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000093414816 347672924 /nfs/dbraw/zinc/67/29/24/347672924.db2.gz XAZZZTSYZMEDIN-UHFFFAOYSA-N -1 3 294.351 2.690 20 5 CFBDHM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[N-]OCC(C)C ZINC000273335547 192117298 /nfs/dbraw/zinc/11/72/98/192117298.db2.gz OWQXPMFKAGCMSH-DHZHZOJOSA-N -1 3 278.308 2.702 20 5 CFBDHM CC[C@@H](C)CN(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593736329 349317013 /nfs/dbraw/zinc/31/70/13/349317013.db2.gz CNGNMOQDUJAMGK-SNVBAGLBSA-N -1 3 280.324 2.771 20 5 CFBDHM C[C@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000593737916 349317151 /nfs/dbraw/zinc/31/71/51/349317151.db2.gz ZQPXSFILPVRJCT-WDEREUQCSA-N -1 3 292.335 2.771 20 5 CFBDHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn(CCF)c2)n1 ZINC000599142325 350383747 /nfs/dbraw/zinc/38/37/47/350383747.db2.gz USMKHYIMIJVQTB-UHFFFAOYSA-N -1 3 279.275 2.516 20 5 CFBDHM O=[N+]([O-])c1cc(Cl)cnc1[N-]c1cnn2c1CCCC2 ZINC000601232305 350705084 /nfs/dbraw/zinc/70/50/84/350705084.db2.gz PGTUDLZGGTUNBC-UHFFFAOYSA-N -1 3 293.714 2.920 20 5 CFBDHM C[C@@H]1CC[C@@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596189848 540704807 /nfs/dbraw/zinc/70/48/07/540704807.db2.gz LVBBUWGGFBUCKE-QMTHXVAHSA-N -1 3 277.324 2.712 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](C(=O)[O-])C1 ZINC000263563626 383681349 /nfs/dbraw/zinc/68/13/49/383681349.db2.gz DLNLGTSRLTWPKD-NEPJUHHUSA-N -1 3 292.335 2.761 20 5 CFBDHM CC(C)(CCC(=O)N1CCCc2cccc([O-])c21)[N+](=O)[O-] ZINC000296857404 381544812 /nfs/dbraw/zinc/54/48/12/381544812.db2.gz USVCEFAKWXMRGP-UHFFFAOYSA-N -1 3 292.335 2.507 20 5 CFBDHM CC(C)=CCC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000360007270 381724136 /nfs/dbraw/zinc/72/41/36/381724136.db2.gz OLLXXCRWSNJPGE-UHFFFAOYSA-N -1 3 298.364 2.538 20 5 CFBDHM Cc1cc(=O)[n-]c(C=Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000352026982 382137930 /nfs/dbraw/zinc/13/79/30/382137930.db2.gz MHOJGIDONTUOJN-HWKANZROSA-N -1 3 275.239 2.708 20 5 CFBDHM O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])[N-]OCCC1CC1 ZINC000493709642 382880435 /nfs/dbraw/zinc/88/04/35/382880435.db2.gz SCIAWOMBDRLTPH-GQCTYLIASA-N -1 3 294.282 2.595 20 5 CFBDHM Cc1cc(=O)[n-]c(C=Cc2ccccc2[N+](=O)[O-])n1 ZINC000339116922 383155734 /nfs/dbraw/zinc/15/57/34/383155734.db2.gz RCPWTGBRYJFIQG-SREVYHEPSA-N -1 3 257.249 2.569 20 5 CFBDHM Cc1cc(=O)[n-]c(C=Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000339118664 383155767 /nfs/dbraw/zinc/15/57/67/383155767.db2.gz YVQJGJBUQOFVMP-AATRIKPKSA-N -1 3 271.276 2.878 20 5 CFBDHM COc1ccc([O-])c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000340311983 383411910 /nfs/dbraw/zinc/41/19/10/383411910.db2.gz KXWKQEWYQAGJAF-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM CC(C)C[C@@H](C(=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000568772164 383435723 /nfs/dbraw/zinc/43/57/23/383435723.db2.gz OAOQHHMNHWHHLP-ZDUSSCGKSA-N -1 3 280.324 2.526 20 5 CFBDHM Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](C(=O)[O-])[C@H]1C ZINC000263034299 383650874 /nfs/dbraw/zinc/65/08/74/383650874.db2.gz HPTRJWMPBGPPJL-BXUZGUMPSA-N -1 3 292.335 2.588 20 5 CFBDHM CC(C)Cn1cc([N-]c2ncc([N+](=O)[O-])s2)cn1 ZINC000281751507 195365123 /nfs/dbraw/zinc/36/51/23/195365123.db2.gz BYLIQJSYFAQERC-UHFFFAOYSA-N -1 3 267.314 2.647 20 5 CFBDHM CCc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1C ZINC000044701806 393566529 /nfs/dbraw/zinc/56/65/29/393566529.db2.gz PAXNJKDJARBNIB-UHFFFAOYSA-N -1 3 281.293 2.767 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492917640 394097512 /nfs/dbraw/zinc/09/75/12/394097512.db2.gz DDMCEQBPFXGSEL-TYBABMIJSA-N -1 3 278.308 2.702 20 5 CFBDHM CC(C)=CCC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000359995181 394143931 /nfs/dbraw/zinc/14/39/31/394143931.db2.gz SFQHRSBRQFLKAZ-UHFFFAOYSA-N -1 3 298.364 2.538 20 5 CFBDHM Cn1c(C(=O)Nc2c([O-])cccc2Cl)ccc1[N+](=O)[O-] ZINC000557183955 395031788 /nfs/dbraw/zinc/03/17/88/395031788.db2.gz RJSKCNPGRKEXBN-UHFFFAOYSA-N -1 3 295.682 2.545 20 5 CFBDHM COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000352916467 163270399 /nfs/dbraw/zinc/27/03/99/163270399.db2.gz SSFSJTBEDFTQDE-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM O=C([O-])CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044428300 175175828 /nfs/dbraw/zinc/17/58/28/175175828.db2.gz VSOUUKDJXWWQQZ-LBPRGKRZSA-N -1 3 292.335 2.672 20 5 CFBDHM O=C(Nc1c([O-])cccc1Cl)c1ccc([N+](=O)[O-])o1 ZINC000515505924 270372125 /nfs/dbraw/zinc/37/21/25/270372125.db2.gz XZPWKEBAFGJARS-UHFFFAOYSA-N -1 3 282.639 2.799 20 5 CFBDHM COc1cc(-c2nc3ccccc3n2C)c([N+](=O)[O-])cc1[O-] ZINC000069835894 280481255 /nfs/dbraw/zinc/48/12/55/280481255.db2.gz CVJKFSPOJJJKFW-UHFFFAOYSA-N -1 3 299.286 2.863 20 5 CFBDHM CC=Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000360324081 518552669 /nfs/dbraw/zinc/55/26/69/518552669.db2.gz JLISVLYDUYKPEH-NSCUHMNNSA-N -1 3 299.286 2.981 20 5 CFBDHM Cc1cc(NCc2ncccc2[O-])c(F)cc1[N+](=O)[O-] ZINC000360068649 525282997 /nfs/dbraw/zinc/28/29/97/525282997.db2.gz ARCBLFRRQGRANU-UHFFFAOYSA-N -1 3 277.255 2.755 20 5 CFBDHM Cc1ccnc([N-]c2cnn(C(F)F)c2)c1[N+](=O)[O-] ZINC000361672277 525704525 /nfs/dbraw/zinc/70/45/25/525704525.db2.gz XOHFLSAEYQWCKL-UHFFFAOYSA-N -1 3 269.211 2.633 20 5 CFBDHM Cc1cnc([N-]c2cnn(C(F)F)c2)c([N+](=O)[O-])c1 ZINC000361668348 526096303 /nfs/dbraw/zinc/09/63/03/526096303.db2.gz VQZFRJSLYVDVHM-UHFFFAOYSA-N -1 3 269.211 2.633 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](C2CC2)C1 ZINC000339196632 527370717 /nfs/dbraw/zinc/37/07/17/527370717.db2.gz ALWWRUQZNLUJCP-LBPRGKRZSA-N -1 3 276.336 2.922 20 5 CFBDHM C/C(=C/CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C(=O)[O-] ZINC000825730047 601158783 /nfs/dbraw/zinc/15/87/83/601158783.db2.gz QOJIYPZJMHCEIG-WQLSENKSSA-N -1 3 292.335 2.836 20 5 CFBDHM CC(C)(CC(=O)[O-])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000833455986 605217682 /nfs/dbraw/zinc/21/76/82/605217682.db2.gz ITGQMMDRDFRJSC-UHFFFAOYSA-N -1 3 286.715 2.591 20 5 CFBDHM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)C ZINC000108459734 618996378 /nfs/dbraw/zinc/99/63/78/618996378.db2.gz ADTCEUXKZXMACA-GFCCVEGCSA-N -1 3 261.281 2.590 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2CCCC3(CCC3)O2)c1[N+](=O)[O-] ZINC000896169302 619685532 /nfs/dbraw/zinc/68/55/32/619685532.db2.gz FOYUCCJUCDFXPG-SNVBAGLBSA-N -1 3 293.323 2.599 20 5 CFBDHM O=c1ccnc(C=Cc2cc(Cl)ccc2[N+](=O)[O-])[n-]1 ZINC000764436852 627059593 /nfs/dbraw/zinc/05/95/93/627059593.db2.gz VFLAVRJUNAEJSZ-DAFODLJHSA-N -1 3 277.667 2.914 20 5 CFBDHM Cc1ccc([O-])c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000790074239 629208384 /nfs/dbraw/zinc/20/83/84/629208384.db2.gz ZOYFSHDQECURSO-WEVVVXLNSA-N -1 3 299.286 2.656 20 5 CFBDHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000844935676 632341943 /nfs/dbraw/zinc/34/19/43/632341943.db2.gz SBSSUPVQFXMKIN-PRHODGIISA-N -1 3 298.726 2.686 20 5 CFBDHM C[C@H]1CCC[C@@H](C2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000866254588 638781800 /nfs/dbraw/zinc/78/18/00/638781800.db2.gz SOLBCJFXUPAPLC-WDEREUQCSA-N -1 3 291.351 2.958 20 5 CFBDHM C[C@@H]1CCC[C@@H](C2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000866254585 638781823 /nfs/dbraw/zinc/78/18/23/638781823.db2.gz SOLBCJFXUPAPLC-GHMZBOCLSA-N -1 3 291.351 2.958 20 5 CFBDHM CCn1ncc([N-]c2nccc(C)c2[N+](=O)[O-])c1C ZINC000872778240 641932326 /nfs/dbraw/zinc/93/23/26/641932326.db2.gz DQHDPOCBDHQDIE-UHFFFAOYSA-N -1 3 261.285 2.567 20 5 CFBDHM O=C(Nc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1Cl ZINC000247298995 650902590 /nfs/dbraw/zinc/90/25/90/650902590.db2.gz DPJQJOWVNCPZRH-UHFFFAOYSA-N -1 3 293.666 2.601 20 5 CFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cnc(C2CC2)o1 ZINC001125406961 770320354 /nfs/dbraw/zinc/32/03/54/770320354.db2.gz NDCPFDXDTSHHGB-UHFFFAOYSA-N -1 3 291.238 2.852 20 5 CFBDHM C[C@H](Cc1ccccc1)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691026 776259675 /nfs/dbraw/zinc/25/96/75/776259675.db2.gz LTSREGOFWKIMDM-SNVBAGLBSA-N -1 3 298.302 2.876 20 5 CFBDHM O=[N+]([O-])c1cnc(O[C@@H]2CC3CCC2CC3)c2[n-]cnc21 ZINC001227691474 776260045 /nfs/dbraw/zinc/26/00/45/776260045.db2.gz OVROFADLBGSVDK-NWGYLPEXSA-N -1 3 288.307 2.824 20 5 CFBDHM CCCCOC[C@@H](C)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685986 776567474 /nfs/dbraw/zinc/56/74/74/776567474.db2.gz LANZQYQYYVXGKD-SECBINFHSA-N -1 3 284.312 2.588 20 5 CFBDHM CCCC(=O)[C@H](CCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685436 776567685 /nfs/dbraw/zinc/56/76/85/776567685.db2.gz HRQQRKQAYFZCTD-NSHDSACASA-N -1 3 296.323 2.921 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2ccco2)c1[N+](=O)[O-] ZINC001228689055 776568698 /nfs/dbraw/zinc/56/86/98/776568698.db2.gz OWPBNGUTNRWBPT-MRVPVSSYSA-N -1 3 264.237 2.737 20 5 CFBDHM CC(C)(C)CN(CC(=O)[O-])Cc1csc([N+](=O)[O-])c1 ZINC000595884981 349760744 /nfs/dbraw/zinc/76/07/44/349760744.db2.gz DEHLFJAOHYEBLA-UHFFFAOYSA-N -1 3 286.353 2.589 20 5 CFBDHM C[C@@H]1CCC[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596086178 349790515 /nfs/dbraw/zinc/79/05/15/349790515.db2.gz UUDUZZQZWADARB-ZJUUUORDSA-N -1 3 265.313 2.934 20 5 CFBDHM CCS[C@@H]1CCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596123743 349799807 /nfs/dbraw/zinc/79/98/07/349799807.db2.gz DFZUWTXTARLODR-SNVBAGLBSA-N -1 3 297.380 2.807 20 5 CFBDHM CCS[C@H]1CCCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596123742 349799606 /nfs/dbraw/zinc/79/96/06/349799606.db2.gz DFZUWTXTARLODR-JTQLQIEISA-N -1 3 297.380 2.807 20 5 CFBDHM C[C@]1(c2ccccc2)C[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596143063 349806530 /nfs/dbraw/zinc/80/65/30/349806530.db2.gz XFVBGOOVCHKZNP-IUODEOHRSA-N -1 3 285.303 2.838 20 5 CFBDHM CCC1(CC)[C@H](OC)C[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596167297 349815230 /nfs/dbraw/zinc/81/52/30/349815230.db2.gz BHGYJKVRDRGCQG-WDEREUQCSA-N -1 3 295.339 2.701 20 5 CFBDHM CSCCCCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596193914 349823864 /nfs/dbraw/zinc/82/38/64/349823864.db2.gz BTPUKQOUTMHBMX-UHFFFAOYSA-N -1 3 271.342 2.641 20 5 CFBDHM CC1(C)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC(C)(C)C1 ZINC000596198245 349824693 /nfs/dbraw/zinc/82/46/93/349824693.db2.gz XFDHPTBTAZEFGE-UHFFFAOYSA-N -1 3 279.340 2.958 20 5 CFBDHM CC(C)C(C)(C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596202431 349825810 /nfs/dbraw/zinc/82/58/10/349825810.db2.gz DMWKFAZKVTVRJW-UHFFFAOYSA-N -1 3 253.302 2.790 20 5 CFBDHM Cc1cccc2c1CN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596206828 349827228 /nfs/dbraw/zinc/82/72/28/349827228.db2.gz BJUFFKBAVFBSPM-UHFFFAOYSA-N -1 3 285.303 2.567 20 5 CFBDHM Cc1ccc2c(c1)CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])C2 ZINC000596208843 349827881 /nfs/dbraw/zinc/82/78/81/349827881.db2.gz XGGYJMCZOHWVDY-UHFFFAOYSA-N -1 3 285.303 2.567 20 5 CFBDHM O=c1[n-]ccc(N2CC(C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596248322 349839731 /nfs/dbraw/zinc/83/97/31/349839731.db2.gz XMCOAYULMNPDFN-UHFFFAOYSA-N -1 3 277.324 2.712 20 5 CFBDHM CC[C@H]1CCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596251379 349841081 /nfs/dbraw/zinc/84/10/81/349841081.db2.gz WMXMWALTUDQENC-VHSXEESVSA-N -1 3 265.313 2.934 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CCC[C@@H]2C2CC2)c1[N+](=O)[O-] ZINC000596270759 349848837 /nfs/dbraw/zinc/84/88/37/349848837.db2.gz ROSQCLKUVNVDMN-WDEREUQCSA-N -1 3 277.324 2.934 20 5 CFBDHM C[C@@]1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1(F)F ZINC000596480419 349914697 /nfs/dbraw/zinc/91/46/97/349914697.db2.gz ZAOZBKSZLCTJBF-SNVBAGLBSA-N -1 3 273.239 2.543 20 5 CFBDHM Cc1noc(C)c1[N-]C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000063447754 346700727 /nfs/dbraw/zinc/70/07/27/346700727.db2.gz HTPDNKMSZZINQT-UHFFFAOYSA-N -1 3 275.264 2.760 20 5 CFBDHM O=C(/C=C\c1ccccc1[N+](=O)[O-])[N-]OC1CCCC1 ZINC000312161926 232655042 /nfs/dbraw/zinc/65/50/42/232655042.db2.gz QOJONQREQVGCTA-KTKRTIGZSA-N -1 3 276.292 2.598 20 5 CFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)(C(=O)[O-])CC1 ZINC000086777124 347488805 /nfs/dbraw/zinc/48/88/05/347488805.db2.gz PUSVBDOCFMRSLV-LLVKDONJSA-N -1 3 292.335 2.843 20 5 CFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000593737827 349317515 /nfs/dbraw/zinc/31/75/15/349317515.db2.gz WGKODVUKWUOULM-RYUDHWBXSA-N -1 3 290.319 2.525 20 5 CFBDHM CCC[C@@H](C)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740464 349318192 /nfs/dbraw/zinc/31/81/92/349318192.db2.gz MNGYLFILHVNPRU-SNVBAGLBSA-N -1 3 280.324 2.913 20 5 CFBDHM Cc1nnc(C(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000597667895 350122211 /nfs/dbraw/zinc/12/22/11/350122211.db2.gz VJMNHYOPYLJMDG-UHFFFAOYSA-N -1 3 292.320 2.624 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000292170332 198189644 /nfs/dbraw/zinc/18/96/44/198189644.db2.gz UTJFZOPDQAUGSK-QMMMGPOBSA-N -1 3 286.715 2.956 20 5 CFBDHM O=[N+]([O-])c1ccc(NC([O-])=NOCC2CC2)c(Cl)c1 ZINC000292368851 198261639 /nfs/dbraw/zinc/26/16/39/198261639.db2.gz SAASRICLNYLTTI-UHFFFAOYSA-N -1 3 285.687 2.711 20 5 CFBDHM O=C([N-]OCC1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000292368851 198261640 /nfs/dbraw/zinc/26/16/40/198261640.db2.gz SAASRICLNYLTTI-UHFFFAOYSA-N -1 3 285.687 2.711 20 5 CFBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccccc1[O-] ZINC000033633685 372498393 /nfs/dbraw/zinc/49/83/93/372498393.db2.gz GIXDBIGRSFKQSC-HJWRWDBZSA-N -1 3 284.271 2.952 20 5 CFBDHM Cc1ccc([O-])c(C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000046136781 373043092 /nfs/dbraw/zinc/04/30/92/373043092.db2.gz RCKFSASTDRKZFF-UHFFFAOYSA-N -1 3 286.287 2.539 20 5 CFBDHM Cc1c(NC(=O)/C=C\c2cncc([O-])c2)cccc1[N+](=O)[O-] ZINC000492469174 246301558 /nfs/dbraw/zinc/30/15/58/246301558.db2.gz COBQDDVPNACTFF-WAYWQWQTSA-N -1 3 299.286 2.656 20 5 CFBDHM Cc1cccc([O-])c1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000179561740 380556146 /nfs/dbraw/zinc/55/61/46/380556146.db2.gz VQLRXJXNMPXPTO-UHFFFAOYSA-N -1 3 287.275 2.565 20 5 CFBDHM O=[N+]([O-])c1ccccc1CNCc1cc([O-])cc(F)c1 ZINC000184141959 381376516 /nfs/dbraw/zinc/37/65/16/381376516.db2.gz XSWCPPJZKONUHH-UHFFFAOYSA-N -1 3 276.267 2.729 20 5 CFBDHM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCC1CC1 ZINC000290574281 381484104 /nfs/dbraw/zinc/48/41/04/381484104.db2.gz UTSKOQLOLNAAPJ-UHFFFAOYSA-N -1 3 298.364 2.699 20 5 CFBDHM CCOc1cc(NCc2ncccc2[O-])ccc1[N+](=O)[O-] ZINC000359895171 381663777 /nfs/dbraw/zinc/66/37/77/381663777.db2.gz DTWCPMIIYDWUCS-UHFFFAOYSA-N -1 3 289.291 2.706 20 5 CFBDHM C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ncccc1[O-] ZINC000355305488 381739318 /nfs/dbraw/zinc/73/93/18/381739318.db2.gz AEIYXHGMOJFACR-WQLSENKSSA-N -1 3 299.330 2.889 20 5 CFBDHM Cc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC000187538315 382205280 /nfs/dbraw/zinc/20/52/80/382205280.db2.gz ICDODFFRVBBULL-UHFFFAOYSA-N -1 3 287.275 2.565 20 5 CFBDHM Cc1c(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000397021685 382632510 /nfs/dbraw/zinc/63/25/10/382632510.db2.gz RSPAUSCFKLVSKK-GXFFZTMASA-N -1 3 292.335 2.588 20 5 CFBDHM Cc1c([N-]c2ncc([N+](=O)[O-])s2)cnn1CC(C)C ZINC000336971130 382747062 /nfs/dbraw/zinc/74/70/62/382747062.db2.gz KPRSKKBNGAAMNQ-UHFFFAOYSA-N -1 3 281.341 2.956 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](C2CC2)C1 ZINC000339060098 383135887 /nfs/dbraw/zinc/13/58/87/383135887.db2.gz SPIADOKBYACCAI-NSHDSACASA-N -1 3 262.309 2.532 20 5 CFBDHM Cc1cc(=O)[n-]c(C=Cc2ccccc2[N+](=O)[O-])n1 ZINC000339116923 383155551 /nfs/dbraw/zinc/15/55/51/383155551.db2.gz RCPWTGBRYJFIQG-VOTSOKGWSA-N -1 3 257.249 2.569 20 5 CFBDHM O=[N+]([O-])c1cccc(CN(Cc2ncccc2[O-])C2CC2)c1 ZINC000569154044 383472696 /nfs/dbraw/zinc/47/26/96/383472696.db2.gz CVUNYFLLRYCCFB-UHFFFAOYSA-N -1 3 299.330 2.860 20 5 CFBDHM O=[N+]([O-])c1cccc(Cc2nc(-c3ccc([O-])cc3)no2)c1 ZINC000436534702 383831090 /nfs/dbraw/zinc/83/10/90/383831090.db2.gz PECKXZMGNXKJBD-UHFFFAOYSA-N -1 3 297.270 2.941 20 5 CFBDHM CCCC[C@H](C(=O)[O-])N(C)Cc1ccccc1[N+](=O)[O-] ZINC000573855663 384001810 /nfs/dbraw/zinc/00/18/10/384001810.db2.gz QUDRSLLELQIBLN-CYBMUJFWSA-N -1 3 280.324 2.670 20 5 CFBDHM CCc1ccc(C(=O)[N-]c2nc(C)ns2)cc1[N+](=O)[O-] ZINC000266906159 384259494 /nfs/dbraw/zinc/25/94/94/384259494.db2.gz YXDHVMMAUNCWMH-UHFFFAOYSA-N -1 3 292.320 2.569 20 5 CFBDHM Cc1cc(NC([O-])=NOC2CCCC2)ccc1[N+](=O)[O-] ZINC000274825807 385879381 /nfs/dbraw/zinc/87/93/81/385879381.db2.gz PSLFRLYPGUUFIC-UHFFFAOYSA-N -1 3 279.296 2.899 20 5 CFBDHM Cc1cc(NC(=O)[N-]OC2CCCC2)ccc1[N+](=O)[O-] ZINC000274825807 385879385 /nfs/dbraw/zinc/87/93/85/385879385.db2.gz PSLFRLYPGUUFIC-UHFFFAOYSA-N -1 3 279.296 2.899 20 5 CFBDHM O=c1[n-]c(-c2ccncn2)nc2cc3ccccc3cc21 ZINC000345307544 285399298 /nfs/dbraw/zinc/39/92/98/285399298.db2.gz FVBVDZOILDOQIV-UHFFFAOYSA-N -1 3 274.283 2.946 20 5 CFBDHM CCc1onc(C)c1[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000089394486 393766886 /nfs/dbraw/zinc/76/68/86/393766886.db2.gz JDCHQKCQZBVQNV-UHFFFAOYSA-N -1 3 275.264 2.706 20 5 CFBDHM CC1(C)CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338960358 393807516 /nfs/dbraw/zinc/80/75/16/393807516.db2.gz FTACJYACWFHMMH-UHFFFAOYSA-N -1 3 250.298 2.675 20 5 CFBDHM CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000193824181 270240367 /nfs/dbraw/zinc/24/03/67/270240367.db2.gz AAEQZNUJXGYYBW-UHFFFAOYSA-N -1 3 298.364 2.596 20 5 CFBDHM Cc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1[O-] ZINC000122065569 280625885 /nfs/dbraw/zinc/62/58/85/280625885.db2.gz NPVOWVZBWGSXTD-UHFFFAOYSA-N -1 3 298.298 2.812 20 5 CFBDHM Cc1ccc([N+](=O)[O-])c([N-]c2cnn(C(C)C)c2)n1 ZINC000162621698 322366963 /nfs/dbraw/zinc/36/69/63/322366963.db2.gz XEXZHFOWESVBPY-UHFFFAOYSA-N -1 3 261.285 2.819 20 5 CFBDHM Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)c([O-])c1 ZINC000340034194 525257937 /nfs/dbraw/zinc/25/79/37/525257937.db2.gz VCBNZMBPBCTQAR-UHFFFAOYSA-N -1 3 278.289 2.923 20 5 CFBDHM O=C([O-])CC[C@@H]1CCCCN1Cc1ccccc1[N+](=O)[O-] ZINC000050925121 527596459 /nfs/dbraw/zinc/59/64/59/527596459.db2.gz HKXRPNDKYARSPJ-ZDUSSCGKSA-N -1 3 292.335 2.814 20 5 CFBDHM CCC(CC)(CC(=O)[O-])NCc1c(F)cccc1[N+](=O)[O-] ZINC000828799753 601633636 /nfs/dbraw/zinc/63/36/36/601633636.db2.gz JYNBMTXRNYAEAK-UHFFFAOYSA-N -1 3 298.314 2.857 20 5 CFBDHM CCN(CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000827150209 604955446 /nfs/dbraw/zinc/95/54/46/604955446.db2.gz BKRUEJCCIZWNGE-LLVKDONJSA-N -1 3 295.339 2.554 20 5 CFBDHM O=C([O-])C1=CC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000901729961 620902448 /nfs/dbraw/zinc/90/24/48/620902448.db2.gz GEOWTHNZXGLESD-NSHDSACASA-N -1 3 296.710 2.511 20 5 CFBDHM Cc1cc([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])no1 ZINC000758380350 626590459 /nfs/dbraw/zinc/59/04/59/626590459.db2.gz LRTXFRZVODRALJ-UHFFFAOYSA-N -1 3 279.227 2.591 20 5 CFBDHM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000844836368 632320996 /nfs/dbraw/zinc/32/09/96/632320996.db2.gz ATCHWYMSBDCFQM-PRHODGIISA-N -1 3 298.726 2.686 20 5 CFBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cccc(F)n1 ZINC000127389484 644056994 /nfs/dbraw/zinc/05/69/94/644056994.db2.gz XLRJBBBPKDPZAX-UHFFFAOYSA-N -1 3 297.192 2.659 20 5 CFBDHM CCC[C@@H](C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000882777972 645453481 /nfs/dbraw/zinc/45/34/81/645453481.db2.gz YGAYJJACXCYYSJ-SECBINFHSA-N -1 3 253.302 2.934 20 5 CFBDHM Cc1c([N-]C(=O)c2ccc([N+](=O)[O-])o2)cccc1[N+](=O)[O-] ZINC000020448623 651299065 /nfs/dbraw/zinc/29/90/65/651299065.db2.gz QIDDVIXYHICLLT-UHFFFAOYSA-N -1 3 291.219 2.657 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCOc2ccccc21 ZINC001225666711 775548950 /nfs/dbraw/zinc/54/89/50/775548950.db2.gz LEYWRILYZQAQQV-LBPRGKRZSA-N -1 3 288.259 2.598 20 5 CFBDHM CC1CCC(Oc2nccc([O-])c2[N+](=O)[O-])CC1 ZINC001225667260 775549268 /nfs/dbraw/zinc/54/92/68/775549268.db2.gz QUOOKVQSVGJIRI-UHFFFAOYSA-N -1 3 252.270 2.653 20 5 CFBDHM CCOC(=O)[C@H](CC(C)C)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226333721 775782846 /nfs/dbraw/zinc/78/28/46/775782846.db2.gz NIFXEUNKJQVBJI-LBPRGKRZSA-N -1 3 297.307 2.657 20 5 CFBDHM C[C@H](Oc1c([O-])cccc1[N+](=O)[O-])C(F)(F)F ZINC001226337550 775784024 /nfs/dbraw/zinc/78/40/24/775784024.db2.gz YQMUEUZPCXWUQP-YFKPBYRVSA-N -1 3 251.160 2.630 20 5 CFBDHM O=[N+]([O-])c1cnc(O[C@@H]2CCc3ccccc32)c2[n-]cnc21 ZINC001227692172 776259365 /nfs/dbraw/zinc/25/93/65/776259365.db2.gz UXPGUKUHDINMSH-GFCCVEGCSA-N -1 3 296.286 2.932 20 5 CFBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3C[C@H]4C=C[C@@H]3C4)[n-]c2c1 ZINC001227744729 776277293 /nfs/dbraw/zinc/27/72/93/776277293.db2.gz IODBQJYJWHFCPX-IGJMFERPSA-N -1 3 271.276 2.815 20 5 CFBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1 ZINC001227744729 776277295 /nfs/dbraw/zinc/27/72/95/776277295.db2.gz IODBQJYJWHFCPX-IGJMFERPSA-N -1 3 271.276 2.815 20 5 CFBDHM CC[C@@H](COc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1)OC ZINC001228676185 776564227 /nfs/dbraw/zinc/56/42/27/776564227.db2.gz WWGMBPLKMQOLOO-VIFPVBQESA-N -1 3 279.296 2.583 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC001228686551 776567313 /nfs/dbraw/zinc/56/73/13/776567313.db2.gz OHNYTCUOOIPATI-VQXHTEKXSA-N -1 3 278.308 2.961 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2cccnc2F)c1[N+](=O)[O-] ZINC001228690300 776569548 /nfs/dbraw/zinc/56/95/48/776569548.db2.gz ZREHNANVTKNDQU-MRVPVSSYSA-N -1 3 293.254 2.678 20 5 CFBDHM CC(C)C[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227692769 777864520 /nfs/dbraw/zinc/86/45/20/777864520.db2.gz CJZZDGHZTFMLPM-QMMMGPOBSA-N -1 3 264.285 2.680 20 5 CFBDHM O=[N+]([O-])c1ccc2c(c1)C[C@H](Oc1cccc([O-])c1F)C2 ZINC001233867154 778100061 /nfs/dbraw/zinc/10/00/61/778100061.db2.gz CKLCHJSRHKLXHH-GFCCVEGCSA-N -1 3 289.262 2.986 20 5 CFBDHM CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000707971343 781260449 /nfs/dbraw/zinc/26/04/49/781260449.db2.gz AIGXSYGXTZDBNF-MRVPVSSYSA-N -1 3 286.715 2.543 20 5 CFBDHM C[C@@H]1CCC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@H]1C ZINC000596056569 349783931 /nfs/dbraw/zinc/78/39/31/349783931.db2.gz YMVLSMLPVPZRSW-UTLUCORTSA-N -1 3 265.313 2.932 20 5 CFBDHM O=c1[n-]ccc(N[C@@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000596060526 349784444 /nfs/dbraw/zinc/78/44/44/349784444.db2.gz UQRDQDJRXGKHJX-GFCCVEGCSA-N -1 3 285.303 2.665 20 5 CFBDHM C[C@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596120553 349798626 /nfs/dbraw/zinc/79/86/26/349798626.db2.gz UJMVHFIZTZLJOP-KYZUINATSA-N -1 3 251.286 2.686 20 5 CFBDHM CC(C)c1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2)on1 ZINC000072647023 346934428 /nfs/dbraw/zinc/93/44/28/346934428.db2.gz DFESVKKOMPGCCF-UHFFFAOYSA-N -1 3 275.264 2.959 20 5 CFBDHM CC(C)C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596144436 349807384 /nfs/dbraw/zinc/80/73/84/349807384.db2.gz FZNRTXGVXAVYSM-JTQLQIEISA-N -1 3 265.313 2.568 20 5 CFBDHM CCC(CC)[C@H](CCNc1cc[n-]c(=O)c1[N+](=O)[O-])OC ZINC000596170001 349816088 /nfs/dbraw/zinc/81/60/88/349816088.db2.gz NRKYVTQPCRBKPN-LBPRGKRZSA-N -1 3 297.355 2.949 20 5 CFBDHM CCc1ncsc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000157515510 529764382 /nfs/dbraw/zinc/76/43/82/529764382.db2.gz YEXVZRQRXOACKR-UHFFFAOYSA-N -1 3 283.334 2.928 20 5 CFBDHM O=c1[n-]ccc(N2CCCc3ccccc3CC2)c1[N+](=O)[O-] ZINC000596256383 349842856 /nfs/dbraw/zinc/84/28/56/349842856.db2.gz AFWZLKXZBMWXBG-UHFFFAOYSA-N -1 3 299.330 2.691 20 5 CFBDHM Cc1cc([N-]c2cc(C3CC3)n(C)n2)c([N+](=O)[O-])s1 ZINC000596236014 349835663 /nfs/dbraw/zinc/83/56/63/349835663.db2.gz FDWRCGDXWMSUBR-UHFFFAOYSA-N -1 3 278.337 2.741 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CCC[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000596270758 349848480 /nfs/dbraw/zinc/84/84/80/349848480.db2.gz ROSQCLKUVNVDMN-QWRGUYRKSA-N -1 3 277.324 2.934 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2CCC3(CCCC3)O2)c1[N+](=O)[O-] ZINC000596296032 349855431 /nfs/dbraw/zinc/85/54/31/349855431.db2.gz DPOIHNZHYPTLMY-SNVBAGLBSA-N -1 3 293.323 2.599 20 5 CFBDHM CO[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596540390 349935720 /nfs/dbraw/zinc/93/57/20/349935720.db2.gz LJZOHWMFUMBUSN-LBPRGKRZSA-N -1 3 295.339 2.703 20 5 CFBDHM CN(C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000046304900 346425024 /nfs/dbraw/zinc/42/50/24/346425024.db2.gz CVAICRFIIMHMCY-UHFFFAOYSA-N -1 3 296.286 2.748 20 5 CFBDHM CC[C@H]1C[C@H](C)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738708 349317488 /nfs/dbraw/zinc/31/74/88/349317488.db2.gz KBBAWMJBDGTUCH-GWCFXTLKSA-N -1 3 292.335 2.913 20 5 CFBDHM C[C@@H]1CC[C@@H](C)N1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593744281 349318756 /nfs/dbraw/zinc/31/87/56/349318756.db2.gz OWWDVJLWQZNQRA-NXEZZACHSA-N -1 3 278.308 2.666 20 5 CFBDHM C/C=C\C[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000599200710 350395149 /nfs/dbraw/zinc/39/51/49/350395149.db2.gz WSNVDLXOVASGAU-OTDNITJGSA-N -1 3 277.324 2.878 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000292314593 198241054 /nfs/dbraw/zinc/24/10/54/198241054.db2.gz VMSNUENMDNSLRN-MRVPVSSYSA-N -1 3 286.715 2.956 20 5 CFBDHM Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)[N-]OCC(C)C ZINC000276383677 193308654 /nfs/dbraw/zinc/30/86/54/193308654.db2.gz GYJLBSVYRGWVBG-UHFFFAOYSA-N -1 3 281.312 2.921 20 5 CFBDHM Cc1c(CN2CCC[C@H](CC(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000054298626 373513889 /nfs/dbraw/zinc/51/38/89/373513889.db2.gz DZIXRECXGOEQCU-GFCCVEGCSA-N -1 3 292.335 2.590 20 5 CFBDHM Cc1c(Cc2nc3cccnc3c(=O)[n-]2)cccc1[N+](=O)[O-] ZINC000491608535 246087485 /nfs/dbraw/zinc/08/74/85/246087485.db2.gz YOBWSPFOTDUOTA-UHFFFAOYSA-N -1 3 296.286 2.538 20 5 CFBDHM O=C(/C=C\c1cccc([N+](=O)[O-])c1)[N-]OC1CCCCC1 ZINC000492746280 246374782 /nfs/dbraw/zinc/37/47/82/246374782.db2.gz BKMNHMDDENIRGX-KTKRTIGZSA-N -1 3 290.319 2.989 20 5 CFBDHM CC[C@@H]1C[C@@H](C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330456462 378561143 /nfs/dbraw/zinc/56/11/43/378561143.db2.gz PDMCQCPKCKCWAM-ZYHUDNBSSA-N -1 3 264.325 2.921 20 5 CFBDHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])CC1CCC1 ZINC000332442787 378763287 /nfs/dbraw/zinc/76/32/87/378763287.db2.gz CSFCLWZQJTVPPU-UHFFFAOYSA-N -1 3 250.298 2.532 20 5 CFBDHM CCn1cc([N-]c2nc(C)cc(C)c2[N+](=O)[O-])cn1 ZINC000359086533 381257021 /nfs/dbraw/zinc/25/70/21/381257021.db2.gz VIBIDPXQJCDQDI-UHFFFAOYSA-N -1 3 261.285 2.567 20 5 CFBDHM COc1cc(CNc2ncccc2C)c([N+](=O)[O-])cc1[O-] ZINC000184827990 381483425 /nfs/dbraw/zinc/48/34/25/381483425.db2.gz LTUUYTFOSHEAKZ-UHFFFAOYSA-N -1 3 289.291 2.625 20 5 CFBDHM O=C([N-]c1cccc(C2CC2)n1)c1ccc([N+](=O)[O-])o1 ZINC000353732347 382620279 /nfs/dbraw/zinc/62/02/79/382620279.db2.gz XKWVQELCCHUSDB-UHFFFAOYSA-N -1 3 273.248 2.713 20 5 CFBDHM CC(C)CO[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000228305505 382845916 /nfs/dbraw/zinc/84/59/16/382845916.db2.gz LUTGQMWPBXKPFK-UHFFFAOYSA-N -1 3 272.688 2.566 20 5 CFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000579591875 383032230 /nfs/dbraw/zinc/03/22/30/383032230.db2.gz RNJYDFASOSVMQL-JTNHKYCSSA-N -1 3 292.335 2.698 20 5 CFBDHM Cc1cc(=O)[n-]c(C=Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000339116008 383154688 /nfs/dbraw/zinc/15/46/88/383154688.db2.gz JYNYKERREZAORL-QPJJXVBHSA-N -1 3 257.249 2.569 20 5 CFBDHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000567917404 383331297 /nfs/dbraw/zinc/33/12/97/383331297.db2.gz LITRHNMIMCALLC-SUNKGSAMSA-N -1 3 292.335 2.668 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](CC2CC2)C1 ZINC000339679843 383286238 /nfs/dbraw/zinc/28/62/38/383286238.db2.gz NEZWUCOQQCCOPL-GFCCVEGCSA-N -1 3 276.336 2.922 20 5 CFBDHM CCCN(CC(=O)[O-])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444730 393616272 /nfs/dbraw/zinc/61/62/72/393616272.db2.gz NZDQCXNDXKGPHT-UHFFFAOYSA-N -1 3 286.715 2.545 20 5 CFBDHM O=[N+]([O-])c1cnc([N-]c2cnn(-c3ccccc3)c2)s1 ZINC000195511151 393743066 /nfs/dbraw/zinc/74/30/66/393743066.db2.gz OFMASUDNBJCXIH-UHFFFAOYSA-N -1 3 287.304 2.981 20 5 CFBDHM COc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1[O-] ZINC000352892565 163265155 /nfs/dbraw/zinc/26/51/55/163265155.db2.gz RRXLOBSNJBSYGP-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM CCc1onc(C)c1[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000089392594 280562295 /nfs/dbraw/zinc/56/22/95/280562295.db2.gz BAYZOUIQYUSTRW-UHFFFAOYSA-N -1 3 275.264 2.706 20 5 CFBDHM Cc1nnc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000128093444 280672950 /nfs/dbraw/zinc/67/29/50/280672950.db2.gz CZMGONGKLWYQAU-UHFFFAOYSA-N -1 3 298.711 2.660 20 5 CFBDHM O=C(Nc1cccc([O-])c1F)c1ccc([N+](=O)[O-])cc1F ZINC000128401480 280676900 /nfs/dbraw/zinc/67/69/00/280676900.db2.gz HQCYEYYLQQUBFY-UHFFFAOYSA-N -1 3 294.213 2.831 20 5 CFBDHM Cc1ccnc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000182626367 323873016 /nfs/dbraw/zinc/87/30/16/323873016.db2.gz BRVFRQRSJUOPIO-UHFFFAOYSA-N -1 3 292.682 2.599 20 5 CFBDHM CCN(CCC(=O)[O-])Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444732 520987410 /nfs/dbraw/zinc/98/74/10/520987410.db2.gz NEUYWVWZSVUDTO-UHFFFAOYSA-N -1 3 286.715 2.545 20 5 CFBDHM CC[C@@H](C(=O)[O-])N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444758 521882576 /nfs/dbraw/zinc/88/25/76/521882576.db2.gz ADNYTKFHKUQGQG-JTQLQIEISA-N -1 3 286.715 2.543 20 5 CFBDHM O=C([O-])[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000050509155 526313636 /nfs/dbraw/zinc/31/36/36/526313636.db2.gz GNIDRHUWYCCBMQ-CQSZACIVSA-N -1 3 286.287 2.510 20 5 CFBDHM C[C@@H](OC(=O)c1cncc([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000732394304 574154397 /nfs/dbraw/zinc/15/43/97/574154397.db2.gz KLYVVHZMYDWNDB-SECBINFHSA-N -1 3 288.259 2.613 20 5 CFBDHM CC[C@H](C)CSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820869208 606798947 /nfs/dbraw/zinc/79/89/47/606798947.db2.gz DVNYYJOQUOEVBE-QMMMGPOBSA-N -1 3 293.352 2.913 20 5 CFBDHM CC[C@H](C)CSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820869208 606798949 /nfs/dbraw/zinc/79/89/49/606798949.db2.gz DVNYYJOQUOEVBE-QMMMGPOBSA-N -1 3 293.352 2.913 20 5 CFBDHM O=[N+]([O-])c1ccccc1Sc1cccc(-c2nnn[n-]2)c1 ZINC000823648425 606945623 /nfs/dbraw/zinc/94/56/23/606945623.db2.gz WVXMAQJHLBWLQL-UHFFFAOYSA-N -1 3 299.315 2.926 20 5 CFBDHM O=[N+]([O-])c1ccccc1Sc1cccc(-c2nn[n-]n2)c1 ZINC000823648425 606945624 /nfs/dbraw/zinc/94/56/24/606945624.db2.gz WVXMAQJHLBWLQL-UHFFFAOYSA-N -1 3 299.315 2.926 20 5 CFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)[N-]OC1CCCCC1 ZINC000779320609 618134791 /nfs/dbraw/zinc/13/47/91/618134791.db2.gz OQQBSHHKGSLCLX-UHFFFAOYSA-N -1 3 278.308 2.518 20 5 CFBDHM O=c1[n-]ccc(N[C@@H]2CCSC3(CCC3)C2)c1[N+](=O)[O-] ZINC000896250433 619705697 /nfs/dbraw/zinc/70/56/97/619705697.db2.gz PAWRZQNZCRIULH-SECBINFHSA-N -1 3 295.364 2.926 20 5 CFBDHM CN(c1cc[n-]c(=O)c1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000897128488 619937894 /nfs/dbraw/zinc/93/78/94/619937894.db2.gz JKHPYGAYVYGLLX-ZDUSSCGKSA-N -1 3 299.330 2.689 20 5 CFBDHM Cc1[n-]n(-c2cc([N+](=O)[O-])ccc2C)c(=O)c1C(C)C ZINC000899349625 620549712 /nfs/dbraw/zinc/54/97/12/620549712.db2.gz HSMOTDGYUGQHST-CYBMUJFWSA-N -1 3 275.308 2.898 20 5 CFBDHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])[N-]OC1CCC1 ZINC000821220757 622872015 /nfs/dbraw/zinc/87/20/15/622872015.db2.gz DOTHZMURZGKMGY-UHFFFAOYSA-N -1 3 298.726 2.781 20 5 CFBDHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cncc(F)c1 ZINC000153711417 624102020 /nfs/dbraw/zinc/10/20/20/624102020.db2.gz WXSZFDVDNJFSEW-UHFFFAOYSA-N -1 3 297.192 2.659 20 5 CFBDHM O=c1ccnc(C=Cc2cc([N+](=O)[O-])ccc2Cl)[n-]1 ZINC000742221154 626481294 /nfs/dbraw/zinc/48/12/94/626481294.db2.gz FFJGCHKAHXEEKW-DAFODLJHSA-N -1 3 277.667 2.914 20 5 CFBDHM O=c1ccnc(C=Cc2cc([N+](=O)[O-])ccc2Cl)[n-]1 ZINC000742221155 626481308 /nfs/dbraw/zinc/48/13/08/626481308.db2.gz FFJGCHKAHXEEKW-RJRFIUFISA-N -1 3 277.667 2.914 20 5 CFBDHM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]OC1CCCCC1 ZINC000777966103 628268657 /nfs/dbraw/zinc/26/86/57/628268657.db2.gz ZQWMECJQLQYQDH-UHFFFAOYSA-N -1 3 292.335 2.908 20 5 CFBDHM C[C@@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1(Cl)Cl ZINC000853662682 635066489 /nfs/dbraw/zinc/06/64/89/635066489.db2.gz QYUXXYFGVUQSGG-VIFPVBQESA-N -1 3 292.122 2.691 20 5 CFBDHM C[C@H]1CCC[C@H](C2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000866254587 638781577 /nfs/dbraw/zinc/78/15/77/638781577.db2.gz SOLBCJFXUPAPLC-QWRGUYRKSA-N -1 3 291.351 2.958 20 5 CFBDHM Cc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2Cl)s1 ZINC000123522054 641252341 /nfs/dbraw/zinc/25/23/41/641252341.db2.gz ITXQQOGYCIRQPD-UHFFFAOYSA-N -1 3 298.711 2.660 20 5 CFBDHM C[C@@H]1CCC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C1 ZINC001225667232 775549197 /nfs/dbraw/zinc/54/91/97/775549197.db2.gz QBGUUNIMZVSDEX-RKDXNWHRSA-N -1 3 252.270 2.653 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CCC=CCCC1 ZINC001225667039 775549552 /nfs/dbraw/zinc/54/95/52/775549552.db2.gz OPXLEPJRNIAZNJ-JTQLQIEISA-N -1 3 264.281 2.963 20 5 CFBDHM Cc1nc(O[C@@H](C)c2ccccc2[N+](=O)[O-])cc(=O)[n-]1 ZINC001226510787 775854872 /nfs/dbraw/zinc/85/48/72/775854872.db2.gz PZFFRSBIXHKGMQ-QMMMGPOBSA-N -1 3 275.264 2.539 20 5 CFBDHM C[C@@H]1CCCC[C@@H]1Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227690950 776259545 /nfs/dbraw/zinc/25/95/45/776259545.db2.gz LGHBZTKOMAQKBA-SCZZXKLOSA-N -1 3 276.296 2.824 20 5 CFBDHM Cc1[n-]c(=O)cc(OC(C2CC2)C2CC2)c1[N+](=O)[O-] ZINC001228687224 776567417 /nfs/dbraw/zinc/56/74/17/776567417.db2.gz UXUVOVTYMSDZCJ-UHFFFAOYSA-N -1 3 264.281 2.571 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC001228687319 776569339 /nfs/dbraw/zinc/56/93/39/776569339.db2.gz VMHQMELKNAGQMD-VIFPVBQESA-N -1 3 275.264 2.539 20 5 CFBDHM CC[C@@H](COC)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233497850 777971308 /nfs/dbraw/zinc/97/13/08/777971308.db2.gz IPPRRPLSNQPPPC-ZETCQYMHSA-N -1 3 299.714 2.928 20 5 CFBDHM CC1CCC(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596086006 349790590 /nfs/dbraw/zinc/79/05/90/349790590.db2.gz SDTRWVZFSABGNV-UHFFFAOYSA-N -1 3 265.313 2.934 20 5 CFBDHM O=c1[n-]ccc(N[C@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000596060528 349784330 /nfs/dbraw/zinc/78/43/30/349784330.db2.gz UQRDQDJRXGKHJX-LBPRGKRZSA-N -1 3 285.303 2.665 20 5 CFBDHM Cc1cccc(CC2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596162594 349813600 /nfs/dbraw/zinc/81/36/00/349813600.db2.gz NNHWUQZDNAQYFB-UHFFFAOYSA-N -1 3 299.330 2.683 20 5 CFBDHM C[C@@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000596172080 349816862 /nfs/dbraw/zinc/81/68/62/349816862.db2.gz JAPPFOROBVRUSG-ZJUUUORDSA-N -1 3 265.313 2.568 20 5 CFBDHM CC(C)(C)[C@@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596180273 349818457 /nfs/dbraw/zinc/81/84/57/349818457.db2.gz RGEXNSRUGBBSSX-KOLCDFICSA-N -1 3 295.339 2.701 20 5 CFBDHM CC(C)C[C@@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596182335 349819365 /nfs/dbraw/zinc/81/93/65/349819365.db2.gz AYEWZTQTMJAKPV-WDEREUQCSA-N -1 3 295.339 2.701 20 5 CFBDHM C[C@@H]1CC(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000596226617 349833003 /nfs/dbraw/zinc/83/30/03/349833003.db2.gz LDLMVSBTUHUZNT-NXEZZACHSA-N -1 3 295.339 2.701 20 5 CFBDHM CC(C)[C@H]1C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596255865 349843122 /nfs/dbraw/zinc/84/31/22/349843122.db2.gz ZUVNIMWIEABTBL-ZYHUDNBSSA-N -1 3 295.339 2.559 20 5 CFBDHM C[C@]12CN(c3cc[n-]c(=O)c3[N+](=O)[O-])C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000596260588 349845550 /nfs/dbraw/zinc/84/55/50/349845550.db2.gz LLJQUMYXAISGDA-DZHLUBAWSA-N -1 3 289.335 2.568 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC000596286963 349853409 /nfs/dbraw/zinc/85/34/09/349853409.db2.gz QRYFLROVAIZOJR-ILDUYXDCSA-N -1 3 277.324 2.934 20 5 CFBDHM CN(CCC(C)(C)C)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596287444 349853695 /nfs/dbraw/zinc/85/36/95/349853695.db2.gz SPBOJAFXICBZLJ-UHFFFAOYSA-N -1 3 253.302 2.568 20 5 CFBDHM O=c1[n-]ccc(N2CCC[C@H](C3CCC3)C2)c1[N+](=O)[O-] ZINC000596528392 349931383 /nfs/dbraw/zinc/93/13/83/349931383.db2.gz ZPZQWPJFUGTINP-NSHDSACASA-N -1 3 277.324 2.712 20 5 CFBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]OCc1ccccc1 ZINC000056696452 346612492 /nfs/dbraw/zinc/61/24/92/346612492.db2.gz HFUKJYXTGNCELY-FLIBITNWSA-N -1 3 298.298 2.856 20 5 CFBDHM CC(C)N(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCOCC1 ZINC000093604678 347679920 /nfs/dbraw/zinc/67/99/20/347679920.db2.gz ODKSQJUDNIJCLV-UHFFFAOYSA-N -1 3 294.351 2.690 20 5 CFBDHM C[C@H]1C[C@H](C)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593738085 349317141 /nfs/dbraw/zinc/31/71/41/349317141.db2.gz MNJLAIZHKZQVAF-UWVGGRQHSA-N -1 3 278.308 2.523 20 5 CFBDHM C[C@H]1CC(C)(C)CN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738515 349317160 /nfs/dbraw/zinc/31/71/60/349317160.db2.gz GLYPYHROQDQVKE-JTQLQIEISA-N -1 3 292.335 2.913 20 5 CFBDHM CN(CCC1CC1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743310 349319154 /nfs/dbraw/zinc/31/91/54/349319154.db2.gz GSJDSXUXBNGGHN-UHFFFAOYSA-N -1 3 278.308 2.525 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553378 350455052 /nfs/dbraw/zinc/45/50/52/350455052.db2.gz ROSNOWYSBRWYOR-OLZOCXBDSA-N -1 3 294.376 2.770 20 5 CFBDHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cccc([N+](=O)[O-])c1 ZINC000600676699 350595792 /nfs/dbraw/zinc/59/57/92/350595792.db2.gz ZYFBFAUNKINXBV-GHMZBOCLSA-N -1 3 292.335 2.668 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000292015641 198135887 /nfs/dbraw/zinc/13/58/87/198135887.db2.gz AKCXSZQDGNNZML-LLVKDONJSA-N -1 3 280.324 2.621 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263563629 383681392 /nfs/dbraw/zinc/68/13/92/383681392.db2.gz DLNLGTSRLTWPKD-VXGBXAGGSA-N -1 3 292.335 2.761 20 5 CFBDHM CC(=O)c1ccc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)o1 ZINC000447346199 241371119 /nfs/dbraw/zinc/37/11/19/241371119.db2.gz CAMHIRYIBASAGT-UHFFFAOYSA-N -1 3 292.222 2.782 20 5 CFBDHM CC(C)c1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000004645028 371869424 /nfs/dbraw/zinc/86/94/24/371869424.db2.gz MBTVWFGFFMSJFK-UHFFFAOYSA-N -1 3 292.320 2.822 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1cncc([O-])c1 ZINC000492448859 246296098 /nfs/dbraw/zinc/29/60/98/246296098.db2.gz YIIYMIHMPSOOCU-HYXAFXHYSA-N -1 3 299.286 2.656 20 5 CFBDHM O=C([N-]OC1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000135688004 378158463 /nfs/dbraw/zinc/15/84/63/378158463.db2.gz TWIMCRFBADBMCW-UHFFFAOYSA-N -1 3 284.699 2.852 20 5 CFBDHM C[C@H]1C[C@H](C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000330558835 378583791 /nfs/dbraw/zinc/58/37/91/378583791.db2.gz AJROTDPBQFMUNI-QWRGUYRKSA-N -1 3 264.325 2.778 20 5 CFBDHM Cc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1[O-] ZINC000180624709 380682485 /nfs/dbraw/zinc/68/24/85/380682485.db2.gz JOYSQRMMUUIVIG-UHFFFAOYSA-N -1 3 298.298 2.812 20 5 CFBDHM CCc1ccc([N+](=O)[O-])cc1NC(=O)[N-]OCC(C)C ZINC000289847543 381184823 /nfs/dbraw/zinc/18/48/23/381184823.db2.gz QBVROHIRWGMHJX-UHFFFAOYSA-N -1 3 281.312 2.866 20 5 CFBDHM O=[N+]([O-])c1ccc(CNCc2cc([O-])cc(F)c2)cc1 ZINC000184139660 381377627 /nfs/dbraw/zinc/37/76/27/381377627.db2.gz YKEFEQWVXPYPIQ-UHFFFAOYSA-N -1 3 276.267 2.729 20 5 CFBDHM CCc1ocnc1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000347962360 381435573 /nfs/dbraw/zinc/43/55/73/381435573.db2.gz NWIPGLMQUNGBJX-UHFFFAOYSA-N -1 3 279.227 2.537 20 5 CFBDHM O=c1cc(COc2ccc([N+](=O)[O-])cc2)nc(C2CC2)[n-]1 ZINC000412979423 381516068 /nfs/dbraw/zinc/51/60/68/381516068.db2.gz PVGLISBGOBPXPX-UHFFFAOYSA-N -1 3 287.275 2.547 20 5 CFBDHM C[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1[N+](=O)[O-] ZINC000357488246 382191569 /nfs/dbraw/zinc/19/15/69/382191569.db2.gz PAQMQRGTXFNHKM-SNVBAGLBSA-N -1 3 286.287 2.791 20 5 CFBDHM O=C([O-])CCCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000576046471 382808623 /nfs/dbraw/zinc/80/86/23/382808623.db2.gz ODRWCGZEUBERLB-UHFFFAOYSA-N -1 3 292.335 2.814 20 5 CFBDHM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000517240071 383171838 /nfs/dbraw/zinc/17/18/38/383171838.db2.gz ZSKKQZTUONMXSP-SECBINFHSA-N -1 3 252.314 2.825 20 5 CFBDHM O=C([O-])[C@@H]1CCCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000566843416 383216830 /nfs/dbraw/zinc/21/68/30/383216830.db2.gz SIEQQSNHDUPWRB-VSKVDJIOSA-N -1 3 290.319 2.547 20 5 CFBDHM O=C(Nc1ccc(Cl)cc1[O-])c1cc([N+](=O)[O-])c[nH]1 ZINC000340330490 383414262 /nfs/dbraw/zinc/41/42/62/383414262.db2.gz PCSLQPIGHOKUKA-UHFFFAOYSA-N -1 3 281.655 2.534 20 5 CFBDHM Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263346005 383659121 /nfs/dbraw/zinc/65/91/21/383659121.db2.gz OQGQOMSETLTTJR-WCQYABFASA-N -1 3 292.335 2.588 20 5 CFBDHM Cc1ccc([C@@H](C)[N-]C(=O)C(C)(F)F)cc1[N+](=O)[O-] ZINC000289332276 197299821 /nfs/dbraw/zinc/29/98/21/197299821.db2.gz YEYKSJAHCCWRTQ-MRVPVSSYSA-N -1 3 272.251 2.736 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000291694535 394257311 /nfs/dbraw/zinc/25/73/11/394257311.db2.gz DUNGHYOQBAEHMM-VIFPVBQESA-N -1 3 267.285 2.694 20 5 CFBDHM C[C@H]1CC[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339123466 300068247 /nfs/dbraw/zinc/06/82/47/300068247.db2.gz FYGHUAIBWMCBQO-JQWIXIFHSA-N -1 3 264.325 2.921 20 5 CFBDHM O=C([O-])CC[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000043585507 175071916 /nfs/dbraw/zinc/07/19/16/175071916.db2.gz NXQXJPKJEBVJIU-GFCCVEGCSA-N -1 3 292.335 2.672 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459758110 280369270 /nfs/dbraw/zinc/36/92/70/280369270.db2.gz LESWYTCMMPSZMU-JIMOISOXSA-N -1 3 262.309 2.579 20 5 CFBDHM CC[C@H]1CCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000330435200 288231781 /nfs/dbraw/zinc/23/17/81/288231781.db2.gz AQRPBKIAPWGTAJ-GXFFZTMASA-N -1 3 264.325 2.969 20 5 CFBDHM Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc([O-])cc2)no1 ZINC000350583056 324237489 /nfs/dbraw/zinc/23/74/89/324237489.db2.gz QXCHGBFEPCGLNS-UHFFFAOYSA-N -1 3 298.258 2.721 20 5 CFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000086783686 500932073 /nfs/dbraw/zinc/93/20/73/500932073.db2.gz SNRGZBQQLIUHGV-IAQYHMDHSA-N -1 3 292.335 2.843 20 5 CFBDHM COc1c(F)cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc1F ZINC000055947559 521859931 /nfs/dbraw/zinc/85/99/31/521859931.db2.gz YWTGQSZNCGVRFN-UHFFFAOYSA-N -1 3 298.201 2.727 20 5 CFBDHM Cc1cccc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])c1[O-] ZINC000172423855 534597380 /nfs/dbraw/zinc/59/73/80/534597380.db2.gz NMJSVNSTCLYMOI-UHFFFAOYSA-N -1 3 298.298 2.812 20 5 CFBDHM CC[C@@H](C)CSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000820869207 606799456 /nfs/dbraw/zinc/79/94/56/606799456.db2.gz DVNYYJOQUOEVBE-MRVPVSSYSA-N -1 3 293.352 2.913 20 5 CFBDHM CC[C@@H](C)CSc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000820869207 606799458 /nfs/dbraw/zinc/79/94/58/606799458.db2.gz DVNYYJOQUOEVBE-MRVPVSSYSA-N -1 3 293.352 2.913 20 5 CFBDHM CC1(C)CC[C@@H](CCNc2cc[n-]c(=O)c2[N+](=O)[O-])OC1 ZINC000896789805 619818524 /nfs/dbraw/zinc/81/85/24/619818524.db2.gz LRAOOOCLTBPLNC-JTQLQIEISA-N -1 3 295.339 2.703 20 5 CFBDHM CN(c1cc[n-]c(=O)c1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000897128487 619937712 /nfs/dbraw/zinc/93/77/12/619937712.db2.gz JKHPYGAYVYGLLX-CYBMUJFWSA-N -1 3 299.330 2.689 20 5 CFBDHM Cc1ccc(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1[N+](=O)[O-] ZINC000263332239 620134625 /nfs/dbraw/zinc/13/46/25/620134625.db2.gz LSPJPDCIJWYDBC-YPMHNXCESA-N -1 3 292.335 2.588 20 5 CFBDHM CN(CCC1(C(=O)[O-])CCC1)Cc1ccccc1[N+](=O)[O-] ZINC000903696530 621420259 /nfs/dbraw/zinc/42/02/59/621420259.db2.gz IPKQLFGKIJLFNJ-UHFFFAOYSA-N -1 3 292.335 2.672 20 5 CFBDHM CC(C)O[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908571012 622246537 /nfs/dbraw/zinc/24/65/37/622246537.db2.gz YSDMAYUIVBVTCF-UHFFFAOYSA-N -1 3 286.715 2.637 20 5 CFBDHM CC(C)(C)CC(=O)[N-]OCc1ccc([N+](=O)[O-])cc1F ZINC000842063431 631521231 /nfs/dbraw/zinc/52/12/31/631521231.db2.gz NORLXIZSHLOAGH-UHFFFAOYSA-N -1 3 284.287 2.718 20 5 CFBDHM CC(C)(C)CC(=O)[N-]OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000842651224 631693421 /nfs/dbraw/zinc/69/34/21/631693421.db2.gz VZTNJNGTPLGIBJ-UHFFFAOYSA-N -1 3 284.287 2.718 20 5 CFBDHM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1nccs1 ZINC000813246158 631890946 /nfs/dbraw/zinc/89/09/46/631890946.db2.gz ZWWRVLNENBIEQR-UHFFFAOYSA-N -1 3 283.696 2.957 20 5 CFBDHM C[C@@H](C[N+](=O)[O-])OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000814036994 631997711 /nfs/dbraw/zinc/99/77/11/631997711.db2.gz OTYASTSANWNUHV-YFKPBYRVSA-N -1 3 288.712 2.705 20 5 CFBDHM O=c1[n-]ccc(NCC2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000853347102 634978945 /nfs/dbraw/zinc/97/89/45/634978945.db2.gz REJRHPRTUZLXNW-UHFFFAOYSA-N -1 3 285.303 2.522 20 5 CFBDHM Cc1ccc(CN2CCC(CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000872159972 641680606 /nfs/dbraw/zinc/68/06/06/641680606.db2.gz VLYHECHCQVWIHB-UHFFFAOYSA-N -1 3 292.335 2.590 20 5 CFBDHM O=c1ccnc(C=Cc2ccc([N+](=O)[O-])c(Cl)c2)[n-]1 ZINC000126452388 643228876 /nfs/dbraw/zinc/22/88/76/643228876.db2.gz CMJLYTJPXYPLEI-DUXPYHPUSA-N -1 3 277.667 2.502 20 5 CFBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC001225661089 775545523 /nfs/dbraw/zinc/54/55/23/775545523.db2.gz IVNNOWIVJUJUAY-VIFPVBQESA-N -1 3 260.249 2.835 20 5 CFBDHM COc1ccccc1[C@H](C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225662280 775546932 /nfs/dbraw/zinc/54/69/32/775546932.db2.gz SDPHLWLTYVWWAV-VIFPVBQESA-N -1 3 290.275 2.844 20 5 CFBDHM COc1ccc([C@@H](C)Oc2nccc([O-])c2[N+](=O)[O-])cc1 ZINC001225665683 775549424 /nfs/dbraw/zinc/54/94/24/775549424.db2.gz DCASOHQMLHWBSN-SECBINFHSA-N -1 3 290.275 2.844 20 5 CFBDHM O=[N+]([O-])c1ccc2nc(OC[C@@H]3CCC=CO3)[n-]c2c1 ZINC001227745929 776276793 /nfs/dbraw/zinc/27/67/93/776276793.db2.gz PAJIBVOYADWSTG-JTQLQIEISA-N -1 3 275.264 2.543 20 5 CFBDHM O=[N+]([O-])c1ccc2[n-]c(OC[C@@H]3CCC=CO3)nc2c1 ZINC001227745929 776276803 /nfs/dbraw/zinc/27/68/03/776276803.db2.gz PAJIBVOYADWSTG-JTQLQIEISA-N -1 3 275.264 2.543 20 5 CFBDHM Cc1cc2[n-]c(O[C@H](C)c3ncccn3)nc2cc1[N+](=O)[O-] ZINC001228672452 776562203 /nfs/dbraw/zinc/56/22/03/776562203.db2.gz UTAXFLBTTHKIHA-SECBINFHSA-N -1 3 299.290 2.710 20 5 CFBDHM Cc1cc2[n-]c(O[C@H]3CCOC[C@@H]3C)nc2cc1[N+](=O)[O-] ZINC001228675977 776563953 /nfs/dbraw/zinc/56/39/53/776563953.db2.gz BTWHZTRKIFDMQD-ZANVPECISA-N -1 3 291.307 2.583 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2ccncc2)c1[N+](=O)[O-] ZINC001228685829 776567598 /nfs/dbraw/zinc/56/75/98/776567598.db2.gz KOYKFGOJIDMYQD-SECBINFHSA-N -1 3 275.264 2.539 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC001228687471 776568821 /nfs/dbraw/zinc/56/88/21/776568821.db2.gz XMQKTCYMVWOIAQ-WPRPVWTQSA-N -1 3 266.297 2.961 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2ncccc2F)c1[N+](=O)[O-] ZINC001228688620 776569108 /nfs/dbraw/zinc/56/91/08/776569108.db2.gz LJXKJVPBKOGPGA-MRVPVSSYSA-N -1 3 293.254 2.678 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H](C)Cc2ccco2)c1[N+](=O)[O-] ZINC001228689375 776569611 /nfs/dbraw/zinc/56/96/11/776569611.db2.gz SXSHJHUJBGGWOK-MRVPVSSYSA-N -1 3 278.264 2.607 20 5 CFBDHM Cc1nc(O[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c(=O)[n-]1 ZINC001229686846 776873336 /nfs/dbraw/zinc/87/33/36/776873336.db2.gz VKLCGEDBOVIASX-VIFPVBQESA-N -1 3 289.291 2.847 20 5 CFBDHM O=[N+]([O-])c1cc2[n-]c(OC[C@H]3CCCO3)nc2cc1Cl ZINC001233500834 777970584 /nfs/dbraw/zinc/97/05/84/777970584.db2.gz VJWOISOOPULFLQ-SSDOTTSWSA-N -1 3 297.698 2.682 20 5 CFBDHM O=[N+]([O-])c1cc2nc(OC[C@H]3CCCO3)[n-]c2cc1Cl ZINC001233500834 777970587 /nfs/dbraw/zinc/97/05/87/777970587.db2.gz VJWOISOOPULFLQ-SSDOTTSWSA-N -1 3 297.698 2.682 20 5 CFBDHM COC[C@H](C)Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233497853 777970612 /nfs/dbraw/zinc/97/06/12/777970612.db2.gz ISUBPGIFMUBJEQ-LURJTMIESA-N -1 3 285.687 2.538 20 5 CFBDHM CC(C)(C)CN(CC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000595888624 349761842 /nfs/dbraw/zinc/76/18/42/349761842.db2.gz YCWQWJZTZRSJGZ-UHFFFAOYSA-N -1 3 280.324 2.528 20 5 CFBDHM CC(C)[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596129159 349801465 /nfs/dbraw/zinc/80/14/65/349801465.db2.gz OMSCDVHJZGHNPY-LLVKDONJSA-N -1 3 279.340 2.958 20 5 CFBDHM CC[C@]1(C)CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596141525 349806352 /nfs/dbraw/zinc/80/63/52/349806352.db2.gz LRMHCIQRKZGKCY-CYBMUJFWSA-N -1 3 265.313 2.712 20 5 CFBDHM O=c1[n-]ccc(NCCC2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC000596176013 349817452 /nfs/dbraw/zinc/81/74/52/349817452.db2.gz YAUOZUMYBLEVJN-UHFFFAOYSA-N -1 3 299.330 2.912 20 5 CFBDHM CC(C)(C)[C@H]1C[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596180274 349818897 /nfs/dbraw/zinc/81/88/97/349818897.db2.gz RGEXNSRUGBBSSX-MWLCHTKSSA-N -1 3 295.339 2.701 20 5 CFBDHM C[C@@H]1CC[C@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H]1C ZINC000596198930 349824945 /nfs/dbraw/zinc/82/49/45/349824945.db2.gz OLOVHLRTSZIVAM-BBBLOLIVSA-N -1 3 265.313 2.932 20 5 CFBDHM O=c1[n-]ccc(NCC2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000596227098 349834233 /nfs/dbraw/zinc/83/42/33/349834233.db2.gz NIPMFWUQCKRARE-UHFFFAOYSA-N -1 3 287.266 2.933 20 5 CFBDHM COCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCCCC1 ZINC000596236508 349835466 /nfs/dbraw/zinc/83/54/66/349835466.db2.gz MWUUKGWHUACZKO-UHFFFAOYSA-N -1 3 295.339 2.704 20 5 CFBDHM CSCCCSc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596266113 349847827 /nfs/dbraw/zinc/84/78/27/349847827.db2.gz RULUYTSZESAAQO-UHFFFAOYSA-N -1 3 260.340 2.541 20 5 CFBDHM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000092762221 347645953 /nfs/dbraw/zinc/64/59/53/347645953.db2.gz JRHMMBAYXKGXSE-GHMZBOCLSA-N -1 3 264.325 2.921 20 5 CFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1coc(C)n1 ZINC000588985540 348807198 /nfs/dbraw/zinc/80/71/98/348807198.db2.gz GNWYFPWHOGPMHK-UHFFFAOYSA-N -1 3 291.263 2.542 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](C2CCC2)C1 ZINC000591062924 348982656 /nfs/dbraw/zinc/98/26/56/348982656.db2.gz BQPBMGITGHRPBF-GFCCVEGCSA-N -1 3 276.336 2.922 20 5 CFBDHM CC1(C)CCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593737019 349317193 /nfs/dbraw/zinc/31/71/93/349317193.db2.gz FYLHGXWGCJOFIN-UHFFFAOYSA-N -1 3 278.308 2.667 20 5 CFBDHM C[C@@H]1CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000593737914 349317242 /nfs/dbraw/zinc/31/72/42/349317242.db2.gz ZQPXSFILPVRJCT-MNOVXSKESA-N -1 3 292.335 2.771 20 5 CFBDHM O=c1[n-]ccc(N[C@@H]2C[C@H]2c2ccsc2)c1[N+](=O)[O-] ZINC000599166439 350388232 /nfs/dbraw/zinc/38/82/32/350388232.db2.gz YDTAUFHSPBDKBV-WCBMZHEXSA-N -1 3 277.305 2.725 20 5 CFBDHM C/C=C\C[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000599200711 350394928 /nfs/dbraw/zinc/39/49/28/350394928.db2.gz WSNVDLXOVASGAU-QUCGXOGASA-N -1 3 277.324 2.878 20 5 CFBDHM Cc1cnc([N-]c2cnn(CC3CC3)c2)c([N+](=O)[O-])c1 ZINC000610285058 351549936 /nfs/dbraw/zinc/54/99/36/351549936.db2.gz KBLZVKQVECHUSC-UHFFFAOYSA-N -1 3 273.296 2.648 20 5 CFBDHM Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc(C(C)C)n1 ZINC000123281402 187082901 /nfs/dbraw/zinc/08/29/01/187082901.db2.gz JFDULUNCFSCYFW-UHFFFAOYSA-N -1 3 290.279 2.662 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000292036599 198141319 /nfs/dbraw/zinc/14/13/19/198141319.db2.gz DDMCEQBPFXGSEL-ANYFNZRUSA-N -1 3 278.308 2.702 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000292163244 198187906 /nfs/dbraw/zinc/18/79/06/198187906.db2.gz UCGWQNRYQYAKGX-QMMMGPOBSA-N -1 3 286.715 2.956 20 5 CFBDHM Cn1cc([N-]c2ncc([N+](=O)[O-])cc2Cl)c(C2CC2)n1 ZINC000292481743 198304458 /nfs/dbraw/zinc/30/44/58/198304458.db2.gz ZOPDRUTXIMVXLU-UHFFFAOYSA-N -1 3 293.714 2.998 20 5 CFBDHM Cc1ccc(NC(=O)[N-]OCC(C)C)cc1[N+](=O)[O-] ZINC000158071308 188355257 /nfs/dbraw/zinc/35/52/57/188355257.db2.gz MVJMCHZAMRIOPC-UHFFFAOYSA-N -1 3 267.285 2.612 20 5 CFBDHM C[C@H]1C[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339003189 291118648 /nfs/dbraw/zinc/11/86/48/291118648.db2.gz FXEYDZXNRZMBNF-UWVGGRQHSA-N -1 3 250.298 2.531 20 5 CFBDHM C[C@H]1CC[C@@]2(CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)C1 ZINC000596189847 540704832 /nfs/dbraw/zinc/70/48/32/540704832.db2.gz LVBBUWGGFBUCKE-IINYFYTJSA-N -1 3 277.324 2.712 20 5 CFBDHM Cc1cnc(NCc2ccc([O-])c(F)c2)c([N+](=O)[O-])c1 ZINC000301428603 201004748 /nfs/dbraw/zinc/00/47/48/201004748.db2.gz HXRQDBSDIZSWQP-UHFFFAOYSA-N -1 3 277.255 2.755 20 5 CFBDHM C[C@H]1[C@@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000418120694 291276216 /nfs/dbraw/zinc/27/62/16/291276216.db2.gz CNXKTTBHEFBQNG-GMTAPVOTSA-N -1 3 264.325 2.777 20 5 CFBDHM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000015922943 372094543 /nfs/dbraw/zinc/09/45/43/372094543.db2.gz ADRRETVNKYMJCH-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM COc1ccc(F)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000092457319 375112125 /nfs/dbraw/zinc/11/21/25/375112125.db2.gz QQOSQDGRXQKRLR-UHFFFAOYSA-N -1 3 280.211 2.588 20 5 CFBDHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nocc2C)c1 ZINC000154605006 378583589 /nfs/dbraw/zinc/58/35/89/378583589.db2.gz XCPYBROCBPXRIW-UHFFFAOYSA-N -1 3 293.304 2.865 20 5 CFBDHM CC(C)[C@@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330427404 378552263 /nfs/dbraw/zinc/55/22/63/378552263.db2.gz KJQFFXYFHYHAKQ-SNVBAGLBSA-N -1 3 252.314 2.777 20 5 CFBDHM CCC1([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CCC1 ZINC000332422804 378760839 /nfs/dbraw/zinc/76/08/39/378760839.db2.gz DDDMDSBVIKLSEF-UHFFFAOYSA-N -1 3 298.364 2.514 20 5 CFBDHM COCCCn1ccc([N-]c2c(F)cccc2[N+](=O)[O-])n1 ZINC000287376549 380816594 /nfs/dbraw/zinc/81/65/94/380816594.db2.gz QUGVLJVCRJWENB-UHFFFAOYSA-N -1 3 294.286 2.711 20 5 CFBDHM C[C@@H](NC(=O)c1cccc([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000182131803 380998492 /nfs/dbraw/zinc/99/84/92/380998492.db2.gz IGGZLJYHBAZALP-SNVBAGLBSA-N -1 3 286.287 2.791 20 5 CFBDHM CCc1cccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000186751900 382004538 /nfs/dbraw/zinc/00/45/38/382004538.db2.gz BTMBWDQRPCOHRD-UHFFFAOYSA-N -1 3 287.275 2.510 20 5 CFBDHM O=c1cc(CNc2cccc([N+](=O)[O-])c2)nc(C2CC2)[n-]1 ZINC000417001373 381983736 /nfs/dbraw/zinc/98/37/36/381983736.db2.gz ZYVPNRNPONJWKH-UHFFFAOYSA-N -1 3 286.291 2.580 20 5 CFBDHM C[C@@H]1CC[C@H](N(C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339123467 383157720 /nfs/dbraw/zinc/15/77/20/383157720.db2.gz FYGHUAIBWMCBQO-PWSUYJOCSA-N -1 3 264.325 2.921 20 5 CFBDHM O=C([O-])[C@H]1CCCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000566843415 383216334 /nfs/dbraw/zinc/21/63/34/383216334.db2.gz SIEQQSNHDUPWRB-BRLPQQTGSA-N -1 3 290.319 2.547 20 5 CFBDHM CC(C)(C)CCS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000267170267 384312800 /nfs/dbraw/zinc/31/28/00/384312800.db2.gz UIVIATDIVZFFLP-UHFFFAOYSA-N -1 3 286.353 2.773 20 5 CFBDHM CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc([O-])c(F)c1 ZINC000288963967 197201493 /nfs/dbraw/zinc/20/14/93/197201493.db2.gz TZKNVRHGUITNPO-UHFFFAOYSA-N -1 3 294.286 2.576 20 5 CFBDHM Cc1ccc(CN2CCC[C@H](C)[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000424416691 393845162 /nfs/dbraw/zinc/84/51/62/393845162.db2.gz KXALCXUAKSAUHK-FZMZJTMJSA-N -1 3 292.335 2.588 20 5 CFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc([O-])c1F ZINC000128324643 394067625 /nfs/dbraw/zinc/06/76/25/394067625.db2.gz QVJGSAAFNWDSFZ-UHFFFAOYSA-N -1 3 290.250 2.621 20 5 CFBDHM CO[C@]1(C)C[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])C1(C)C ZINC000344730709 286171641 /nfs/dbraw/zinc/17/16/41/286171641.db2.gz YPKPSWHCUPZLCX-DZGCQCFKSA-N -1 3 294.351 2.594 20 5 CFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(C)cccc2F)n1 ZINC000191700740 227130904 /nfs/dbraw/zinc/13/09/04/227130904.db2.gz FUWCNFCUZJVBPT-UHFFFAOYSA-N -1 3 292.270 2.511 20 5 CFBDHM O=C(Nc1cccc([O-])c1F)c1ccccc1[N+](=O)[O-] ZINC000129250749 280687830 /nfs/dbraw/zinc/68/78/30/280687830.db2.gz YGVOBAAMNQPKIU-UHFFFAOYSA-N -1 3 276.223 2.692 20 5 CFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000566219971 290359352 /nfs/dbraw/zinc/35/93/52/290359352.db2.gz IGVCPNATLHOTSJ-WZRBSPASSA-N -1 3 292.335 2.698 20 5 CFBDHM Cc1cc(=O)[n-]c([C@@H](C)Sc2ccc([N+](=O)[O-])cn2)n1 ZINC000160347393 322336753 /nfs/dbraw/zinc/33/67/53/322336753.db2.gz JFXAWPNHNZYOEK-MRVPVSSYSA-N -1 3 292.320 2.647 20 5 CFBDHM C[C@@H](NCc1ncccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000579221008 324931703 /nfs/dbraw/zinc/93/17/03/324931703.db2.gz VZVDUDBHXIEJOE-SNVBAGLBSA-N -1 3 273.292 2.546 20 5 CFBDHM CCC(CC)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736346239 574363977 /nfs/dbraw/zinc/36/39/77/574363977.db2.gz VWTJBBWVAWISFX-UHFFFAOYSA-N -1 3 290.327 2.623 20 5 CFBDHM CCC(CC)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000736346239 574363980 /nfs/dbraw/zinc/36/39/80/574363980.db2.gz VWTJBBWVAWISFX-UHFFFAOYSA-N -1 3 290.327 2.623 20 5 CFBDHM O=C([O-])CN(Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000833248583 602340500 /nfs/dbraw/zinc/34/05/00/602340500.db2.gz UYAMGFLILCOVOG-UHFFFAOYSA-N -1 3 296.298 2.563 20 5 CFBDHM COc1cc([N+](=O)[O-])ccc1-n1[n-]c(C)c(C(C)C)c1=O ZINC000899350443 620550219 /nfs/dbraw/zinc/55/02/19/620550219.db2.gz ZFLPLMVZGHZYKS-ZDUSSCGKSA-N -1 3 291.307 2.598 20 5 CFBDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])[N-]OCCC1CC1 ZINC000820484250 622685841 /nfs/dbraw/zinc/68/58/41/622685841.db2.gz HDBJEGJYBWCEAY-UHFFFAOYSA-N -1 3 296.298 2.514 20 5 CFBDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cncc(F)c1 ZINC000765621595 627151202 /nfs/dbraw/zinc/15/12/02/627151202.db2.gz VZBKDEWLBURLRI-VIFPVBQESA-N -1 3 291.282 2.685 20 5 CFBDHM O=C([N-]OC1CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000867547616 638883822 /nfs/dbraw/zinc/88/38/22/638883822.db2.gz GFTHLOGLBLGWSL-UHFFFAOYSA-N -1 3 282.271 2.728 20 5 CFBDHM O=c1cc(Nc2cccc([N+](=O)[O-])c2F)nc(C2CC2)[n-]1 ZINC001210377967 770274810 /nfs/dbraw/zinc/27/48/10/770274810.db2.gz FDJWQXSVGPBYTN-UHFFFAOYSA-N -1 3 290.254 2.851 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCCc2cccnc21 ZINC001225662243 775546618 /nfs/dbraw/zinc/54/66/18/775546618.db2.gz RVTGVIAXIUMGDX-LLVKDONJSA-N -1 3 287.275 2.547 20 5 CFBDHM Cc1c(=O)[n-]cnc1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001226076777 775690494 /nfs/dbraw/zinc/69/04/94/775690494.db2.gz ORRYNPJHBZVRIH-VIFPVBQESA-N -1 3 275.264 2.539 20 5 CFBDHM CCOC(=O)[C@@H](CC(C)C)Oc1c([O-])cccc1[N+](=O)[O-] ZINC001226333718 775782518 /nfs/dbraw/zinc/78/25/18/775782518.db2.gz NIFXEUNKJQVBJI-GFCCVEGCSA-N -1 3 297.307 2.657 20 5 CFBDHM O=[N+]([O-])c1cnc(O[C@H]2CCCC[C@H]2F)c2[n-]cnc21 ZINC001227691913 776259484 /nfs/dbraw/zinc/25/94/84/776259484.db2.gz RWDDDENDAHACFZ-APPZFPTMSA-N -1 3 280.259 2.526 20 5 CFBDHM O=[N+]([O-])c1cnc(O[C@@H]2CCCC[C@@H]2F)c2[n-]cnc21 ZINC001227691938 776259740 /nfs/dbraw/zinc/25/97/40/776259740.db2.gz RWDDDENDAHACFZ-IONNQARKSA-N -1 3 280.259 2.526 20 5 CFBDHM O=[N+]([O-])c1cnc(OC2CCC(F)(F)CC2)c2[n-]cnc21 ZINC001227693580 776261159 /nfs/dbraw/zinc/26/11/59/776261159.db2.gz WHLJHEUSJVPADX-UHFFFAOYSA-N -1 3 298.249 2.823 20 5 CFBDHM C[C@@H](Oc1nc2ccc([N+](=O)[O-])cc2[n-]1)C1CCOCC1 ZINC001227742362 776275916 /nfs/dbraw/zinc/27/59/16/776275916.db2.gz YGSWJJSUEVOKCL-SECBINFHSA-N -1 3 291.307 2.665 20 5 CFBDHM C[C@@H](Oc1nc2cc([N+](=O)[O-])ccc2[n-]1)C1CCOCC1 ZINC001227742362 776275923 /nfs/dbraw/zinc/27/59/23/776275923.db2.gz YGSWJJSUEVOKCL-SECBINFHSA-N -1 3 291.307 2.665 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC001228687829 776569586 /nfs/dbraw/zinc/56/95/86/776569586.db2.gz CCIRRYHLYRPPMY-SSDOTTSWSA-N -1 3 274.223 2.570 20 5 CFBDHM C[C@@H]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C[C@@H]1C ZINC001225666360 777155040 /nfs/dbraw/zinc/15/50/40/777155040.db2.gz HJWGPSUCMAYUQW-KXUCPTDWSA-N -1 3 266.297 2.899 20 5 CFBDHM C[C@@H]1CC[C@@H](Oc2nccc([O-])c2[N+](=O)[O-])C[C@H]1C ZINC001225666362 777155083 /nfs/dbraw/zinc/15/50/83/777155083.db2.gz HJWGPSUCMAYUQW-OPRDCNLKSA-N -1 3 266.297 2.899 20 5 CFBDHM O=[N+]([O-])c1ccc2c(c1)C[C@@H](Oc1cccc([O-])c1F)C2 ZINC001233867155 778100255 /nfs/dbraw/zinc/10/02/55/778100255.db2.gz CKLCHJSRHKLXHH-LBPRGKRZSA-N -1 3 289.262 2.986 20 5 CFBDHM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000596051103 349781912 /nfs/dbraw/zinc/78/19/12/349781912.db2.gz LKVFYCQZJKIMFW-GFCCVEGCSA-N -1 3 292.335 2.771 20 5 CFBDHM C[C@H](Cc1ccsc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596088557 349791196 /nfs/dbraw/zinc/79/11/96/349791196.db2.gz UPCVNSZCCKONRS-MRVPVSSYSA-N -1 3 279.321 2.800 20 5 CFBDHM C[C@@H]1CCCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596091439 349792197 /nfs/dbraw/zinc/79/21/97/349792197.db2.gz ZPOBFYNHKCMERW-ZJUUUORDSA-N -1 3 265.313 2.934 20 5 CFBDHM C[C@H]1c2ccsc2CCN1c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596064604 349785159 /nfs/dbraw/zinc/78/51/59/349785159.db2.gz XWEQJKYLSYWSQI-QMMMGPOBSA-N -1 3 291.332 2.881 20 5 CFBDHM C[C@H]1CC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)C1 ZINC000596134024 349802860 /nfs/dbraw/zinc/80/28/60/349802860.db2.gz CDVZWOGTVXGEEU-RKDXNWHRSA-N -1 3 265.313 2.932 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000596132263 349803025 /nfs/dbraw/zinc/80/30/25/349803025.db2.gz WCZWACKXAOPGBO-NSHDSACASA-N -1 3 299.330 2.912 20 5 CFBDHM CC(C)[C@@H]1OCCC[C@@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596152953 349810543 /nfs/dbraw/zinc/81/05/43/349810543.db2.gz UYXWSIHXHAZDGG-MFKMUULPSA-N -1 3 295.339 2.559 20 5 CFBDHM Cc1ccccc1CC1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596164683 349814638 /nfs/dbraw/zinc/81/46/38/349814638.db2.gz WCFBNKUSBVLKQZ-UHFFFAOYSA-N -1 3 299.330 2.683 20 5 CFBDHM CC(C)(C)C1=CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596176747 349817767 /nfs/dbraw/zinc/81/77/67/349817767.db2.gz DKEPMOWYNVQLOJ-UHFFFAOYSA-N -1 3 277.324 2.878 20 5 CFBDHM CC[C@@H](C)n1ncc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1C ZINC000596208113 349827221 /nfs/dbraw/zinc/82/72/21/349827221.db2.gz WDXOVEPZKDSLTA-MRVPVSSYSA-N -1 3 291.311 2.915 20 5 CFBDHM CC(C)(C)C1CC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596243087 349838108 /nfs/dbraw/zinc/83/81/08/349838108.db2.gz GNAGPWHGSGVGQY-UHFFFAOYSA-N -1 3 265.313 2.932 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000596244322 349839027 /nfs/dbraw/zinc/83/90/27/349839027.db2.gz PRVHOJOOKAZEQA-RYUDHWBXSA-N -1 3 285.303 2.911 20 5 CFBDHM O=c1[n-]ccc(N2CC[C@@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000596277323 349850993 /nfs/dbraw/zinc/85/09/93/349850993.db2.gz JXVWJLBYYWHTOY-LLVKDONJSA-N -1 3 277.324 2.712 20 5 CFBDHM C[C@]1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1(F)F ZINC000596480418 349914488 /nfs/dbraw/zinc/91/44/88/349914488.db2.gz ZAOZBKSZLCTJBF-JTQLQIEISA-N -1 3 273.239 2.543 20 5 CFBDHM CC[C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000091919171 347602962 /nfs/dbraw/zinc/60/29/62/347602962.db2.gz CMIXNWITCDZBIU-NSHDSACASA-N -1 3 264.325 2.922 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2CCCC[C@@H]2C1 ZINC000093441793 347674287 /nfs/dbraw/zinc/67/42/87/347674287.db2.gz DGVVRJDKVWBOBW-TXEJJXNPSA-N -1 3 276.336 2.922 20 5 CFBDHM COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccccc2[O-])c1 ZINC000141397364 347931196 /nfs/dbraw/zinc/93/11/96/347931196.db2.gz AVDVPSIDICPDSO-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccccc1[N+](=O)[O-] ZINC000600676658 350595464 /nfs/dbraw/zinc/59/54/64/350595464.db2.gz ZFVIIIRIFYMJBU-GHMZBOCLSA-N -1 3 292.335 2.668 20 5 CFBDHM O=C(Nc1ccccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000012021353 371940443 /nfs/dbraw/zinc/94/04/43/371940443.db2.gz ZULDBYHOYHDUNK-UHFFFAOYSA-N -1 3 258.233 2.553 20 5 CFBDHM CCc1nnc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])s1 ZINC000151863018 378366983 /nfs/dbraw/zinc/36/69/83/378366983.db2.gz NQTXTLSDUROVLZ-UHFFFAOYSA-N -1 3 292.320 2.569 20 5 CFBDHM Cc1cccc(F)c1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000179868739 380590097 /nfs/dbraw/zinc/59/00/97/380590097.db2.gz FIUVEPPCAGJGJO-UHFFFAOYSA-N -1 3 264.212 2.888 20 5 CFBDHM O=C(Nc1ccc([O-])cc1F)c1csc([N+](=O)[O-])c1 ZINC000180862209 380706717 /nfs/dbraw/zinc/70/67/17/380706717.db2.gz XIXBKOSURIDDBH-UHFFFAOYSA-N -1 3 282.252 2.753 20 5 CFBDHM O=C1[N-]C(=O)C(=Cc2ccc(Cl)c([N+](=O)[O-])c2)S1 ZINC000033326284 284857286 /nfs/dbraw/zinc/85/72/86/284857286.db2.gz DDEPWSMFBOMYQO-YWEYNIOJSA-N -1 3 284.680 2.572 20 5 CFBDHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ocnc1C1CC1 ZINC000341593872 381110982 /nfs/dbraw/zinc/11/09/82/381110982.db2.gz NYIMUVIVNYDTHF-UHFFFAOYSA-N -1 3 291.238 2.852 20 5 CFBDHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1ocnc1C ZINC000341618609 381128838 /nfs/dbraw/zinc/12/88/38/381128838.db2.gz SVTHNGIUSTVNEG-UHFFFAOYSA-N -1 3 291.263 2.542 20 5 CFBDHM Cc1noc(C)c1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344215493 382204118 /nfs/dbraw/zinc/20/41/18/382204118.db2.gz OMKQZDKNKPUXQR-UHFFFAOYSA-N -1 3 279.227 2.591 20 5 CFBDHM CC[C@H](C)[C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339083975 383143838 /nfs/dbraw/zinc/14/38/38/383143838.db2.gz OOKHTZCYMHMVSA-VHSXEESVSA-N -1 3 252.314 2.825 20 5 CFBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCC1 ZINC000339001426 383115362 /nfs/dbraw/zinc/11/53/62/383115362.db2.gz GBXZJYJJLAUCAF-UHFFFAOYSA-N -1 3 250.298 2.675 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](C2CC2)C1 ZINC000339196630 383183289 /nfs/dbraw/zinc/18/32/89/383183289.db2.gz ALWWRUQZNLUJCP-GFCCVEGCSA-N -1 3 276.336 2.922 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]2CCC[C@H]21 ZINC000339099677 383149132 /nfs/dbraw/zinc/14/91/32/383149132.db2.gz NZXZNXDTKLWMIE-ZWNOBZJWSA-N -1 3 262.309 2.675 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](c2cccnc2)C1 ZINC000567796404 383317760 /nfs/dbraw/zinc/31/77/60/383317760.db2.gz AQOCSBBXFKHJBM-ZDUSSCGKSA-N -1 3 299.330 2.685 20 5 CFBDHM C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1cccc([N+](=O)[O-])c1 ZINC000569503699 383507586 /nfs/dbraw/zinc/50/75/86/383507586.db2.gz PLFXQBYIRMUIMX-SUNKGSAMSA-N -1 3 292.335 2.668 20 5 CFBDHM CCc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532399806 384024400 /nfs/dbraw/zinc/02/44/00/384024400.db2.gz VHRWQNJQZFFFKH-UHFFFAOYSA-N -1 3 287.275 2.510 20 5 CFBDHM CC[C@@H](C)CO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000291694532 394257306 /nfs/dbraw/zinc/25/73/06/394257306.db2.gz DUNGHYOQBAEHMM-SECBINFHSA-N -1 3 267.285 2.694 20 5 CFBDHM O=[N+]([O-])c1ccc(CN(Cc2ncccc2[O-])C2CC2)cc1 ZINC000558397923 395058228 /nfs/dbraw/zinc/05/82/28/395058228.db2.gz NMZJUCBLIWDLKK-UHFFFAOYSA-N -1 3 299.330 2.860 20 5 CFBDHM Cc1cc(Cc2nc3cccnc3c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000491757904 281274988 /nfs/dbraw/zinc/27/49/88/281274988.db2.gz DKRIKRCOFAZCSN-UHFFFAOYSA-N -1 3 296.286 2.538 20 5 CFBDHM CC(C)(NCc1ncccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000570903099 322557901 /nfs/dbraw/zinc/55/79/01/322557901.db2.gz QWHRPXWBMDLYGE-UHFFFAOYSA-N -1 3 287.319 2.720 20 5 CFBDHM O=C(Nc1cccc([O-])c1)c1csc([N+](=O)[O-])c1 ZINC000178866414 534361056 /nfs/dbraw/zinc/36/10/56/534361056.db2.gz ZNLIKZOGELVSNT-UHFFFAOYSA-N -1 3 264.262 2.614 20 5 CFBDHM CC(C)Cn1cc([N-]c2ncc([N+](=O)[O-])cc2F)cn1 ZINC000413179734 528724297 /nfs/dbraw/zinc/72/42/97/528724297.db2.gz ZHJRELASTOAZJM-UHFFFAOYSA-N -1 3 279.275 2.725 20 5 CFBDHM Cc1cc(C(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)on1 ZINC000752985638 574397255 /nfs/dbraw/zinc/39/72/55/574397255.db2.gz WVPROBNCPUSEIV-UHFFFAOYSA-N -1 3 281.655 2.797 20 5 CFBDHM CC[C@H](C)CSc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000820868562 606799196 /nfs/dbraw/zinc/79/91/96/606799196.db2.gz AFTHDWWMRBUIIO-QMMMGPOBSA-N -1 3 293.352 2.913 20 5 CFBDHM CC[C@H](C)CSc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000820868562 606799198 /nfs/dbraw/zinc/79/91/98/606799198.db2.gz AFTHDWWMRBUIIO-QMMMGPOBSA-N -1 3 293.352 2.913 20 5 CFBDHM O=C([O-])C1=CC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000901728535 620902163 /nfs/dbraw/zinc/90/21/63/620902163.db2.gz AAENIRRUNWIIKJ-SNVBAGLBSA-N -1 3 296.710 2.511 20 5 CFBDHM O=C([O-])CC1(NCc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000901707032 620903043 /nfs/dbraw/zinc/90/30/43/620903043.db2.gz MXEOCTLUURHFNU-UHFFFAOYSA-N -1 3 298.726 2.735 20 5 CFBDHM CCCO[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000911552723 622527267 /nfs/dbraw/zinc/52/72/67/622527267.db2.gz KHOUDJMLAYRJOB-UHFFFAOYSA-N -1 3 286.715 2.639 20 5 CFBDHM C[C@@]1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@]1(F)Cl ZINC000853711854 635081910 /nfs/dbraw/zinc/08/19/10/635081910.db2.gz ILYPZESCMCAPOR-GHMZBOCLSA-N -1 3 289.694 2.812 20 5 CFBDHM O=c1[n-]ccc(NCC[C@H]2CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000856784215 635858948 /nfs/dbraw/zinc/85/89/48/635858948.db2.gz UDKQYNITAYFNNN-LURJTMIESA-N -1 3 292.122 2.691 20 5 CFBDHM COc1cc(CN[C@@H]2CCCC[C@@H]2F)c([N+](=O)[O-])cc1[O-] ZINC000865699264 638523256 /nfs/dbraw/zinc/52/32/56/638523256.db2.gz NLQSNWIIRIVYFE-WDEREUQCSA-N -1 3 298.314 2.679 20 5 CFBDHM O=C([N-]c1ccc(F)nc1F)c1ccc([N+](=O)[O-])s1 ZINC000193679306 650684419 /nfs/dbraw/zinc/68/44/19/650684419.db2.gz LZRWVVSMKMWSPB-UHFFFAOYSA-N -1 3 285.231 2.582 20 5 CFBDHM C[C@H](COc1ccccc1)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666764 775549232 /nfs/dbraw/zinc/54/92/32/775549232.db2.gz MBMWPPNXEDJSHO-SNVBAGLBSA-N -1 3 290.275 2.542 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CCC=CCCC1 ZINC001225667040 775549382 /nfs/dbraw/zinc/54/93/82/775549382.db2.gz OPXLEPJRNIAZNJ-SNVBAGLBSA-N -1 3 264.281 2.963 20 5 CFBDHM C[C@H]1CCCC[C@H]1Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225667998 775550138 /nfs/dbraw/zinc/55/01/38/775550138.db2.gz XQHXQIIBIIQGOP-WCBMZHEXSA-N -1 3 252.270 2.653 20 5 CFBDHM Cc1c(=O)[n-]cnc1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001226077324 775690309 /nfs/dbraw/zinc/69/03/09/775690309.db2.gz RDGHTKYGPINURQ-SECBINFHSA-N -1 3 275.264 2.539 20 5 CFBDHM O=[N+]([O-])c1cccc([O-])c1O[C@@H]1CC(F)(F)C1(F)F ZINC001226341807 775785605 /nfs/dbraw/zinc/78/56/05/775785605.db2.gz UQQMUXAZOVSYAN-SSDOTTSWSA-N -1 3 281.161 2.722 20 5 CFBDHM C[C@H](Oc1ncc([N+](=O)[O-])c2nc[n-]c21)C1CCCC1 ZINC001227692559 776258714 /nfs/dbraw/zinc/25/87/14/776258714.db2.gz ZOHLDOSAYMKJML-QMMMGPOBSA-N -1 3 276.296 2.824 20 5 CFBDHM CCC(=O)[C@@H](CC)Oc1nc2ccc([N+](=O)[O-])cc2[n-]1 ZINC001227743908 776277718 /nfs/dbraw/zinc/27/77/18/776277718.db2.gz CBWFLILVVJRFMT-GFCCVEGCSA-N -1 3 277.280 2.608 20 5 CFBDHM CCC(=O)[C@@H](CC)Oc1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC001227743908 776277722 /nfs/dbraw/zinc/27/77/22/776277722.db2.gz CBWFLILVVJRFMT-GFCCVEGCSA-N -1 3 277.280 2.608 20 5 CFBDHM Cc1cc2[n-]c(O[C@H](C)C3CC3)nc2cc1[N+](=O)[O-] ZINC001228672132 776561775 /nfs/dbraw/zinc/56/17/75/776561775.db2.gz PRFFGFUIMGVRKU-MRVPVSSYSA-N -1 3 261.281 2.957 20 5 CFBDHM CO[C@@H](C)CCOc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228673279 776561890 /nfs/dbraw/zinc/56/18/90/776561890.db2.gz FCUDNABVSYWXIC-VIFPVBQESA-N -1 3 279.296 2.583 20 5 CFBDHM CCC(=O)[C@@H](CC)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228674729 776564184 /nfs/dbraw/zinc/56/41/84/776564184.db2.gz LWYSJHPIRIHEII-CYBMUJFWSA-N -1 3 291.307 2.916 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H](C)COC(C)(C)C)c1[N+](=O)[O-] ZINC001228684873 776568130 /nfs/dbraw/zinc/56/81/30/776568130.db2.gz UFJFHHGVGVHQAR-MRVPVSSYSA-N -1 3 284.312 2.586 20 5 CFBDHM Cc1nc(O[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)c(=O)[n-]1 ZINC001229684788 776872446 /nfs/dbraw/zinc/87/24/46/776872446.db2.gz GPKKLMLFHWRIQV-VIFPVBQESA-N -1 3 289.291 2.847 20 5 CFBDHM C[C@H]1C[C@H](Oc2nccc([O-])c2[N+](=O)[O-])C[C@@H](C)C1 ZINC001225666034 777155107 /nfs/dbraw/zinc/15/51/07/777155107.db2.gz FROJJBMAYMFZJG-MYJAWHEDSA-N -1 3 266.297 2.899 20 5 CFBDHM CC[C@H](C)[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[n-]c21 ZINC001227691884 777865010 /nfs/dbraw/zinc/86/50/10/777865010.db2.gz RPRVUYHPMFUKNU-JGVFFNPUSA-N -1 3 264.285 2.680 20 5 CFBDHM CC[C@@H](C)N(CC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000594734066 349483980 /nfs/dbraw/zinc/48/39/80/349483980.db2.gz NNGBHHBKVFXMTB-SNVBAGLBSA-N -1 3 280.324 2.913 20 5 CFBDHM O=[N+]([O-])c1cccnc1[N-]c1cnn(-c2ccccc2)c1 ZINC000069000363 346879777 /nfs/dbraw/zinc/87/97/77/346879777.db2.gz SPVXJEOPGDFKDY-UHFFFAOYSA-N -1 3 281.275 2.919 20 5 CFBDHM C[C@@H]1CCCC[C@@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596054890 349782738 /nfs/dbraw/zinc/78/27/38/349782738.db2.gz JEEHAXGVEBXDEB-BDAKNGLRSA-N -1 3 251.286 2.686 20 5 CFBDHM C[C@@H]1CCCC[C@H]1Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596054893 349782863 /nfs/dbraw/zinc/78/28/63/349782863.db2.gz JEEHAXGVEBXDEB-RKDXNWHRSA-N -1 3 251.286 2.686 20 5 CFBDHM Cc1ccc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])s1 ZINC000596109540 349796290 /nfs/dbraw/zinc/79/62/90/349796290.db2.gz CVASGYTZAGRYPP-UHFFFAOYSA-N -1 3 279.321 2.702 20 5 CFBDHM CC[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596133582 349803137 /nfs/dbraw/zinc/80/31/37/349803137.db2.gz XJABSKDFIGUUME-SNVBAGLBSA-N -1 3 265.313 2.712 20 5 CFBDHM C[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](C)C1 ZINC000596172079 349817083 /nfs/dbraw/zinc/81/70/83/349817083.db2.gz JAPPFOROBVRUSG-VHSXEESVSA-N -1 3 265.313 2.568 20 5 CFBDHM O=c1[n-]ccc(NCC2(C3CC3)CCC2)c1[N+](=O)[O-] ZINC000596175320 349817546 /nfs/dbraw/zinc/81/75/46/349817546.db2.gz RJTPQAHRKVPGEA-UHFFFAOYSA-N -1 3 263.297 2.688 20 5 CFBDHM CC(C)(C)[C@H]1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596193278 349822952 /nfs/dbraw/zinc/82/29/52/349822952.db2.gz MIYYHSQKHCGJSQ-VIFPVBQESA-N -1 3 265.313 2.568 20 5 CFBDHM CC[C@H](CC(F)(F)F)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596195110 349823988 /nfs/dbraw/zinc/82/39/88/349823988.db2.gz GSXWLIGQOMLOJK-ZCFIWIBFSA-N -1 3 279.218 2.838 20 5 CFBDHM Cc1cc(C)cc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC000596210445 349827850 /nfs/dbraw/zinc/82/78/50/349827850.db2.gz JSSSBKVKGSBVEV-UHFFFAOYSA-N -1 3 287.319 2.949 20 5 CFBDHM CC(C)(C)[C@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596219846 349831260 /nfs/dbraw/zinc/83/12/60/349831260.db2.gz XKXPWUURFKVPDH-JTQLQIEISA-N -1 3 279.340 2.958 20 5 CFBDHM CC1(C)CCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596246037 349838934 /nfs/dbraw/zinc/83/89/34/349838934.db2.gz GDQJLFWCCOEWSI-VIFPVBQESA-N -1 3 265.313 2.934 20 5 CFBDHM O=c1[n-]ccc(NC[C@@H]2CC23CCSCC3)c1[N+](=O)[O-] ZINC000596278061 349850876 /nfs/dbraw/zinc/85/08/76/349850876.db2.gz JLQGUQBHXKJYAI-VIFPVBQESA-N -1 3 295.364 2.641 20 5 CFBDHM CSCC1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596418353 349897596 /nfs/dbraw/zinc/89/75/96/349897596.db2.gz DVNIQIRUOPCNNW-UHFFFAOYSA-N -1 3 283.353 2.641 20 5 CFBDHM CC(C)[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596522314 349928917 /nfs/dbraw/zinc/92/89/17/349928917.db2.gz PDPPDZPUELABAQ-JTQLQIEISA-N -1 3 251.286 2.542 20 5 CFBDHM O=[N+]([O-])c1ccccc1COc1ccc2c([O-])coc2c1 ZINC000057523980 346630678 /nfs/dbraw/zinc/63/06/78/346630678.db2.gz PDKWBKMLKWLXQC-UHFFFAOYSA-N -1 3 285.255 2.749 20 5 CFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C)(C(=O)[O-])CC1 ZINC000086777065 347489143 /nfs/dbraw/zinc/48/91/43/347489143.db2.gz SINCOKGJLCCKEK-LLVKDONJSA-N -1 3 292.335 2.843 20 5 CFBDHM C[C@@H]1CC[C@H](C)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000093498126 347677364 /nfs/dbraw/zinc/67/73/64/347677364.db2.gz GVEBQYCVMFOHTI-MNOVXSKESA-N -1 3 264.325 2.921 20 5 CFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(CC(=O)[O-])CC1 ZINC000093682408 347681548 /nfs/dbraw/zinc/68/15/48/347681548.db2.gz JIRLLYZIWHNKCY-LLVKDONJSA-N -1 3 292.335 2.843 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@@H]2CCC[C@H]2C1 ZINC000093442907 347673948 /nfs/dbraw/zinc/67/39/48/347673948.db2.gz IYDRDEGXCBITJA-QWRGUYRKSA-N -1 3 262.309 2.532 20 5 CFBDHM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000593737915 349317023 /nfs/dbraw/zinc/31/70/23/349317023.db2.gz ZQPXSFILPVRJCT-QWRGUYRKSA-N -1 3 292.335 2.771 20 5 CFBDHM CC(C)CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593735515 349317221 /nfs/dbraw/zinc/31/72/21/349317221.db2.gz YHDRVCNEKJRFGE-UHFFFAOYSA-N -1 3 292.335 2.913 20 5 CFBDHM O=c1[n-]ccc(NCC[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000599156990 350386711 /nfs/dbraw/zinc/38/67/11/350386711.db2.gz PQETVQISEFRJSK-JTQLQIEISA-N -1 3 263.297 2.854 20 5 CFBDHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn3c2CCCC3)n1 ZINC000601233184 350705613 /nfs/dbraw/zinc/70/56/13/350705613.db2.gz ZAQYDZAMCRSVOB-UHFFFAOYSA-N -1 3 287.323 2.883 20 5 CFBDHM O=C([N-]c1nccc(C2CC2)n1)c1ccc([N+](=O)[O-])s1 ZINC000602385433 350872172 /nfs/dbraw/zinc/87/21/72/350872172.db2.gz YZKWFYHPUSJQBK-UHFFFAOYSA-N -1 3 290.304 2.576 20 5 CFBDHM O=C([N-]c1ncc(Cl)s1)c1ccc([N+](=O)[O-])o1 ZINC000610247020 351544643 /nfs/dbraw/zinc/54/46/43/351544643.db2.gz HNDRVHNUOKELJB-UHFFFAOYSA-N -1 3 273.657 2.550 20 5 CFBDHM Cc1cc([N+](=O)[O-])cnc1[N-]c1cnn(C)c1C(F)F ZINC000611298420 351665364 /nfs/dbraw/zinc/66/53/64/351665364.db2.gz LXAVCAFDKUAVJC-UHFFFAOYSA-N -1 3 283.238 2.713 20 5 CFBDHM CC(C)CO[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000123089857 187070283 /nfs/dbraw/zinc/07/02/83/187070283.db2.gz SGPNDNXSWLOZGR-UHFFFAOYSA-N -1 3 272.688 2.566 20 5 CFBDHM Cc1cc([N-]c2ccn(CC(F)F)n2)ncc1[N+](=O)[O-] ZINC000301575994 201077161 /nfs/dbraw/zinc/07/71/61/201077161.db2.gz YSEORKLOMQEOIE-UHFFFAOYSA-N -1 3 283.238 2.503 20 5 CFBDHM Cc1cnc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000443936574 241096501 /nfs/dbraw/zinc/09/65/01/241096501.db2.gz RAJGIRNDCAYPFD-UHFFFAOYSA-N -1 3 281.655 2.797 20 5 CFBDHM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000330448089 296135158 /nfs/dbraw/zinc/13/51/58/296135158.db2.gz GTTPYBZRGNWJGH-SNVBAGLBSA-N -1 3 264.325 2.969 20 5 CFBDHM Cc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC000046135948 373042521 /nfs/dbraw/zinc/04/25/21/373042521.db2.gz ZWZCBTHBGXFFIJ-UHFFFAOYSA-N -1 3 286.287 2.539 20 5 CFBDHM Cc1ccc([O-])c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000112716686 375954045 /nfs/dbraw/zinc/95/40/45/375954045.db2.gz JBMPJVSDYIGMJC-LLVKDONJSA-N -1 3 287.319 2.855 20 5 CFBDHM O=C(/C=C/c1ccccc1[N+](=O)[O-])[N-]OC1CCCC1 ZINC000135139576 378089301 /nfs/dbraw/zinc/08/93/01/378089301.db2.gz QOJONQREQVGCTA-MDZDMXLPSA-N -1 3 276.292 2.598 20 5 CFBDHM CO[C@@]1(C)CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000332254142 378739867 /nfs/dbraw/zinc/73/98/67/378739867.db2.gz YYYDDPZDSXCNJX-HNNXBMFYSA-N -1 3 294.351 2.691 20 5 CFBDHM Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])s2)sn1 ZINC000176412330 380229228 /nfs/dbraw/zinc/22/92/28/380229228.db2.gz RIBHRISOJIBENC-UHFFFAOYSA-N -1 3 269.307 2.674 20 5 CFBDHM CC(C)CON=C([O-])Nc1cccc([N+](=O)[O-])c1Cl ZINC000289657162 381088236 /nfs/dbraw/zinc/08/82/36/381088236.db2.gz LZAIOYLYZBGURS-UHFFFAOYSA-N -1 3 287.703 2.957 20 5 CFBDHM CC(C)CO[N-]C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289657162 381088243 /nfs/dbraw/zinc/08/82/43/381088243.db2.gz LZAIOYLYZBGURS-UHFFFAOYSA-N -1 3 287.703 2.957 20 5 CFBDHM CCC[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-] ZINC000185045355 381520074 /nfs/dbraw/zinc/52/00/74/381520074.db2.gz WYHHWLDOBAOGOW-NSHDSACASA-N -1 3 286.715 2.591 20 5 CFBDHM Cc1ncc(CNc2ccc([N+](=O)[O-])cc2Cl)c(=O)[n-]1 ZINC000343593826 381823767 /nfs/dbraw/zinc/82/37/67/381823767.db2.gz FDTFQZPYQDUSSP-UHFFFAOYSA-N -1 3 294.698 2.664 20 5 CFBDHM CCCc1nc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)co1 ZINC000337992526 382892230 /nfs/dbraw/zinc/89/22/30/382892230.db2.gz BXULYKXWUZQQKN-UHFFFAOYSA-N -1 3 293.254 2.927 20 5 CFBDHM CCc1noc(C)c1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000339086065 383143947 /nfs/dbraw/zinc/14/39/47/383143947.db2.gz WCKXKODNVZMMIH-UHFFFAOYSA-N -1 3 293.254 2.845 20 5 CFBDHM Cc1ccc([C@@H](C)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000570364992 383597489 /nfs/dbraw/zinc/59/74/89/383597489.db2.gz ARKPPZLUZDFNIV-LLVKDONJSA-N -1 3 287.319 2.855 20 5 CFBDHM C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263137425 383655171 /nfs/dbraw/zinc/65/51/71/383655171.db2.gz DHWDHZGAKHXHQC-GRYCIOLGSA-N -1 3 292.335 2.698 20 5 CFBDHM O=C([N-]c1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])cn1 ZINC000532144209 383984099 /nfs/dbraw/zinc/98/40/99/383984099.db2.gz LFWONEHLINXDNT-UHFFFAOYSA-N -1 3 297.192 2.659 20 5 CFBDHM Cc1nn(C)c(C)c1[N-]c1ncc([N+](=O)[O-])cc1Cl ZINC000265598931 383953906 /nfs/dbraw/zinc/95/39/06/383953906.db2.gz ZJQITOXZHBQJCV-UHFFFAOYSA-N -1 3 281.703 2.737 20 5 CFBDHM O=C(Nc1ccccc1[O-])c1csc([N+](=O)[O-])c1 ZINC000045012445 393568355 /nfs/dbraw/zinc/56/83/55/393568355.db2.gz VKXUPMDDYIAQMM-UHFFFAOYSA-N -1 3 264.262 2.614 20 5 CFBDHM Cc1conc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000123644061 393985589 /nfs/dbraw/zinc/98/55/89/393985589.db2.gz YDHGYXINLRIITP-UHFFFAOYSA-N -1 3 281.655 2.797 20 5 CFBDHM CC(C)N(Cc1cc([O-])ccc1[N+](=O)[O-])CC1CC1 ZINC000581991258 325166725 /nfs/dbraw/zinc/16/67/25/325166725.db2.gz JQQOPKABDVTMIY-UHFFFAOYSA-N -1 3 264.325 2.921 20 5 CFBDHM COc1ccc([N-]C(=O)c2scnc2C)c([N+](=O)[O-])c1 ZINC000340179995 524664514 /nfs/dbraw/zinc/66/45/14/524664514.db2.gz DVCJMECPVRXLHU-UHFFFAOYSA-N -1 3 293.304 2.621 20 5 CFBDHM Cc1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC000055796834 526187238 /nfs/dbraw/zinc/18/72/38/526187238.db2.gz HVLYIBQDSULGRK-UHFFFAOYSA-N -1 3 286.287 2.539 20 5 CFBDHM O=[N+]([O-])c1ncccc1[N-]c1ccn(-c2ccccc2)n1 ZINC000727829390 574067617 /nfs/dbraw/zinc/06/76/17/574067617.db2.gz PMKCHLBCUDIAQW-UHFFFAOYSA-N -1 3 281.275 2.919 20 5 CFBDHM Cc1ccc(C=Cc2nccc(=O)[n-]2)cc1[N+](=O)[O-] ZINC000742220161 574319270 /nfs/dbraw/zinc/31/92/70/574319270.db2.gz JSAIPHIXXKHUFU-PLNGDYQASA-N -1 3 257.249 2.569 20 5 CFBDHM CCN(CCN[C@H](C)c1cccc([N+](=O)[O-])c1C)C(=O)[O-] ZINC000827151036 604956531 /nfs/dbraw/zinc/95/65/31/604956531.db2.gz RZSQBKSOANPFKG-LLVKDONJSA-N -1 3 295.339 2.554 20 5 CFBDHM Cc1c(CC(=O)[N-]OC2CCCCC2)cccc1[N+](=O)[O-] ZINC000777959140 628267702 /nfs/dbraw/zinc/26/77/02/628267702.db2.gz WCCNXPLUGOHOHM-UHFFFAOYSA-N -1 3 292.335 2.826 20 5 CFBDHM C[C@@]1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000853711855 635081532 /nfs/dbraw/zinc/08/15/32/635081532.db2.gz ILYPZESCMCAPOR-MNOVXSKESA-N -1 3 289.694 2.812 20 5 CFBDHM Cc1nsc([N-]C(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000889268732 647531050 /nfs/dbraw/zinc/53/10/50/647531050.db2.gz GEICPTHIIDIUQF-UHFFFAOYSA-N -1 3 292.320 2.624 20 5 CFBDHM O=C(OCc1ccccc1[N+](=O)[O-])c1ccc([O-])cc1 ZINC000005693726 647851205 /nfs/dbraw/zinc/85/12/05/647851205.db2.gz OEBMKCGUHUIXKR-UHFFFAOYSA-N -1 3 273.244 2.657 20 5 CFBDHM Cc1cnc(F)c([C@H](C)Oc2nccc([O-])c2[N+](=O)[O-])c1 ZINC001225664131 775546919 /nfs/dbraw/zinc/54/69/19/775546919.db2.gz KBPQFTQYSZYUML-QMMMGPOBSA-N -1 3 293.254 2.678 20 5 CFBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3CCc4cccnc43)[n-]c2c1 ZINC001227744010 776276878 /nfs/dbraw/zinc/27/68/78/776276878.db2.gz CPUKSWYEONRLFP-ZDUSSCGKSA-N -1 3 296.286 2.932 20 5 CFBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3CCc4cccnc43)nc2c1 ZINC001227744010 776276886 /nfs/dbraw/zinc/27/68/86/776276886.db2.gz CPUKSWYEONRLFP-ZDUSSCGKSA-N -1 3 296.286 2.932 20 5 CFBDHM O=[N+]([O-])c1ccc2nc(OCCOC3CCCC3)[n-]c2c1 ZINC001227746560 776277122 /nfs/dbraw/zinc/27/71/22/776277122.db2.gz TYZHXWVNGCQBOW-UHFFFAOYSA-N -1 3 291.307 2.809 20 5 CFBDHM O=[N+]([O-])c1ccc2[n-]c(OCCOC3CCCC3)nc2c1 ZINC001227746560 776277132 /nfs/dbraw/zinc/27/71/32/776277132.db2.gz TYZHXWVNGCQBOW-UHFFFAOYSA-N -1 3 291.307 2.809 20 5 CFBDHM O=[N+]([O-])c1ccc2nc(O[C@H]3C[C@H]4C=C[C@@H]3C4)[n-]c2c1 ZINC001227744733 776277515 /nfs/dbraw/zinc/27/75/15/776277515.db2.gz IODBQJYJWHFCPX-RWEMILLDSA-N -1 3 271.276 2.815 20 5 CFBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@H]3C[C@H]4C=C[C@@H]3C4)nc2c1 ZINC001227744733 776277523 /nfs/dbraw/zinc/27/75/23/776277523.db2.gz IODBQJYJWHFCPX-RWEMILLDSA-N -1 3 271.276 2.815 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC001228684996 776567876 /nfs/dbraw/zinc/56/78/76/776567876.db2.gz COZQOZANWHEVPV-WCBMZHEXSA-N -1 3 266.297 2.961 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H](C(C)C)C(F)(F)F)c1[N+](=O)[O-] ZINC001228687032 776567889 /nfs/dbraw/zinc/56/78/89/776567889.db2.gz TXZPNGOHEVJPPQ-JTQLQIEISA-N -1 3 294.229 2.970 20 5 CFBDHM C[C@H]1COC[C@@H]1Oc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1 ZINC001233497105 777969343 /nfs/dbraw/zinc/96/93/43/777969343.db2.gz FFWXLXBDPRNFGF-KGFZYKRKSA-N -1 3 297.698 2.538 20 5 CFBDHM O=[N+]([O-])C[C@@H](Oc1c([O-])cc(Cl)cc1F)C1CC1 ZINC001234447536 778229143 /nfs/dbraw/zinc/22/91/43/778229143.db2.gz LDHHZCHHRQTZBQ-SNVBAGLBSA-N -1 3 275.663 2.619 20 5 CFBDHM CC[C@H](C)N(CC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000594734065 349484161 /nfs/dbraw/zinc/48/41/61/349484161.db2.gz NNGBHHBKVFXMTB-JTQLQIEISA-N -1 3 280.324 2.913 20 5 CFBDHM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000594981345 349538139 /nfs/dbraw/zinc/53/81/39/349538139.db2.gz XVXIUFPOQITTJU-LBPRGKRZSA-N -1 3 250.298 2.579 20 5 CFBDHM CC[C@@H](C)N(CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595601422 349670914 /nfs/dbraw/zinc/67/09/14/349670914.db2.gz RLIHDLCOWFDLEC-SNVBAGLBSA-N -1 3 252.314 2.921 20 5 CFBDHM C[C@H]1CCCC[C@H]1OCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596077942 349789271 /nfs/dbraw/zinc/78/92/71/349789271.db2.gz WXONUHOOPOYVPI-CMPLNLGQSA-N -1 3 295.339 2.703 20 5 CFBDHM C[C@@H]1CC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000596127315 349801430 /nfs/dbraw/zinc/80/14/30/349801430.db2.gz YOOJFLXVLHEQIG-KXUCPTDWSA-N -1 3 265.313 2.932 20 5 CFBDHM O=c1[n-]ccc(N[C@@H]2C[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596147084 349808510 /nfs/dbraw/zinc/80/85/10/349808510.db2.gz RYUDEDQWWLPJQA-WCQYABFASA-N -1 3 285.303 2.739 20 5 CFBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000596162551 349813748 /nfs/dbraw/zinc/81/37/48/349813748.db2.gz MQVXUTYCUGPAQR-LLVKDONJSA-N -1 3 295.339 2.703 20 5 CFBDHM C[C@@H](C1CC1)n1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC000596201519 349825693 /nfs/dbraw/zinc/82/56/93/349825693.db2.gz ZOKJNGGSPZAMQI-QMMMGPOBSA-N -1 3 289.295 2.607 20 5 CFBDHM CC(C)(CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC1 ZINC000596253793 349842172 /nfs/dbraw/zinc/84/21/72/349842172.db2.gz DXBPHYZJVKOAHN-UHFFFAOYSA-N -1 3 265.313 2.934 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000596286930 349853750 /nfs/dbraw/zinc/85/37/50/349853750.db2.gz PRVHOJOOKAZEQA-VXGBXAGGSA-N -1 3 285.303 2.911 20 5 CFBDHM CC(C)[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596522315 349929269 /nfs/dbraw/zinc/92/92/69/349929269.db2.gz PDPPDZPUELABAQ-SNVBAGLBSA-N -1 3 251.286 2.542 20 5 CFBDHM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1C ZINC000016493537 346238422 /nfs/dbraw/zinc/23/84/22/346238422.db2.gz XTBMVPGOYAKJGQ-UHFFFAOYSA-N -1 3 287.275 2.565 20 5 CFBDHM Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)c([O-])c1 ZINC000059205553 346656076 /nfs/dbraw/zinc/65/60/76/346656076.db2.gz BOIGNYAZQMOZBP-UHFFFAOYSA-N -1 3 286.287 2.539 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN1C[C@H]2CCCC[C@@H]2C1 ZINC000093441794 347673966 /nfs/dbraw/zinc/67/39/66/347673966.db2.gz DGVVRJDKVWBOBW-VXGBXAGGSA-N -1 3 276.336 2.922 20 5 CFBDHM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c([O-])c1 ZINC000135410453 347906262 /nfs/dbraw/zinc/90/62/62/347906262.db2.gz JORCUGZDILFIPJ-UHFFFAOYSA-N -1 3 294.288 2.623 20 5 CFBDHM O=C([N-]c1ccsc1)c1ccc([N+](=O)[O-])s1 ZINC000135350300 347906512 /nfs/dbraw/zinc/90/65/12/347906512.db2.gz NEHCMHANTMSONS-UHFFFAOYSA-N -1 3 254.292 2.970 20 5 CFBDHM Cc1cc(=O)[n-]c(C=Cc2cccc([N+](=O)[O-])c2)n1 ZINC000167627696 348046366 /nfs/dbraw/zinc/04/63/66/348046366.db2.gz SWGKOQIDSASFLM-AATRIKPKSA-N -1 3 257.249 2.569 20 5 CFBDHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCCCCC2)c1 ZINC000593732873 349316025 /nfs/dbraw/zinc/31/60/25/349316025.db2.gz SRIDRYXIGBJMRF-UHFFFAOYSA-N -1 3 278.308 2.669 20 5 CFBDHM CCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC1CC1 ZINC000593731958 349316498 /nfs/dbraw/zinc/31/64/98/349316498.db2.gz IXIYEOSJCQMIAZ-UHFFFAOYSA-N -1 3 292.335 2.915 20 5 CFBDHM CC(C)N(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593735484 349317120 /nfs/dbraw/zinc/31/71/20/349317120.db2.gz OZJDOVXURITIFF-UHFFFAOYSA-N -1 3 278.308 2.666 20 5 CFBDHM CC1(C)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593736573 349317202 /nfs/dbraw/zinc/31/72/02/349317202.db2.gz NLCSDZNWJTWKCK-UHFFFAOYSA-N -1 3 278.308 2.525 20 5 CFBDHM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594040527 349359787 /nfs/dbraw/zinc/35/97/87/349359787.db2.gz GNBZMXBXPRPJLQ-ZFWWWQNUSA-N -1 3 294.351 2.738 20 5 CFBDHM CNc1ccc(C(=O)Nc2cccc([O-])c2)cc1[N+](=O)[O-] ZINC000603482838 351167159 /nfs/dbraw/zinc/16/71/59/351167159.db2.gz VQSHHKIQIBGQEP-UHFFFAOYSA-N -1 3 287.275 2.594 20 5 CFBDHM COCCN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000611257703 351659018 /nfs/dbraw/zinc/65/90/18/351659018.db2.gz YRTKKMVHUFISQB-UHFFFAOYSA-N -1 3 294.351 2.691 20 5 CFBDHM CC[C@H](C)CO[N-]C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000292036601 198141377 /nfs/dbraw/zinc/14/13/77/198141377.db2.gz DDMCEQBPFXGSEL-FBOQAHMBSA-N -1 3 278.308 2.702 20 5 CFBDHM Cc1c(NC(=O)c2cccc([O-])c2)cccc1[N+](=O)[O-] ZINC000169913562 540538806 /nfs/dbraw/zinc/53/88/06/540538806.db2.gz VRVRQVVMYDBEMV-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM O=[N+]([O-])c1cccc(NC([O-])=NOCC2CC2)c1Cl ZINC000296867589 200020011 /nfs/dbraw/zinc/02/00/11/200020011.db2.gz VOTLBFMRJAFSCU-UHFFFAOYSA-N -1 3 285.687 2.711 20 5 CFBDHM O=C([N-]OCC1CC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000296867589 200020013 /nfs/dbraw/zinc/02/00/13/200020013.db2.gz VOTLBFMRJAFSCU-UHFFFAOYSA-N -1 3 285.687 2.711 20 5 CFBDHM Cc1nc(NCc2ccc([O-])c(F)c2)ccc1[N+](=O)[O-] ZINC000301626071 201102772 /nfs/dbraw/zinc/10/27/72/201102772.db2.gz AWCDSFWZBXGFBM-UHFFFAOYSA-N -1 3 277.255 2.755 20 5 CFBDHM Cc1c(CN2CCC[C@@](C)(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000062875831 373770876 /nfs/dbraw/zinc/77/08/76/373770876.db2.gz MNANSGOIDNIXQB-OAHLLOKOSA-N -1 3 292.335 2.590 20 5 CFBDHM CCC[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000093633491 375277179 /nfs/dbraw/zinc/27/71/79/375277179.db2.gz XEDDFVMPMUNOAV-SNVBAGLBSA-N -1 3 286.715 2.591 20 5 CFBDHM CCCN(CCC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000505349948 247136441 /nfs/dbraw/zinc/13/64/41/247136441.db2.gz MQMXNIBSYXVCJY-UHFFFAOYSA-N -1 3 252.314 2.922 20 5 CFBDHM O=C([N-]c1cc(Cl)ccn1)c1ccc([N+](=O)[O-])s1 ZINC000114325259 376059739 /nfs/dbraw/zinc/05/97/39/376059739.db2.gz AFKOZPJZISNWDW-UHFFFAOYSA-N -1 3 283.696 2.957 20 5 CFBDHM CCc1noc(C)c1[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC000120921888 376722113 /nfs/dbraw/zinc/72/21/13/376722113.db2.gz KFZNEXGBFOESRV-UHFFFAOYSA-N -1 3 275.264 2.706 20 5 CFBDHM C[C@H]1CCCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000330673681 378596246 /nfs/dbraw/zinc/59/62/46/378596246.db2.gz YSOYDUXBUQUDBH-GWCFXTLKSA-N -1 3 264.325 2.969 20 5 CFBDHM O=C(c1cccc([N+](=O)[O-])c1)N1CCCc2cccc([O-])c21 ZINC000170873041 379180081 /nfs/dbraw/zinc/18/00/81/379180081.db2.gz DPVXEZUNCXIGSP-UHFFFAOYSA-N -1 3 298.298 2.893 20 5 CFBDHM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(F)ccc1[O-] ZINC000174892123 379957577 /nfs/dbraw/zinc/95/75/77/379957577.db2.gz JAESHTMIMQPXAJ-UHFFFAOYSA-N -1 3 290.250 2.621 20 5 CFBDHM O=C(Nc1cc(F)ccc1[O-])c1csc([N+](=O)[O-])c1 ZINC000174901355 379959885 /nfs/dbraw/zinc/95/98/85/379959885.db2.gz ZVWYRELZVYGHAX-UHFFFAOYSA-N -1 3 282.252 2.753 20 5 CFBDHM COc1c(C(=O)Nc2ccccc2[O-])cccc1[N+](=O)[O-] ZINC000354819509 381470298 /nfs/dbraw/zinc/47/02/98/381470298.db2.gz OHCTUBVBEOUMKW-UHFFFAOYSA-N -1 3 288.259 2.561 20 5 CFBDHM Cc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000193390690 382719567 /nfs/dbraw/zinc/71/95/67/382719567.db2.gz KLRSKOILFHSHNS-UHFFFAOYSA-N -1 3 286.287 2.539 20 5 CFBDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2csc(C)n2)c1 ZINC000338136473 382930687 /nfs/dbraw/zinc/93/06/87/382930687.db2.gz FKVATPKRJHJYJA-UHFFFAOYSA-N -1 3 293.304 2.621 20 5 CFBDHM CCCC[C@@H](C(=O)[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000584535031 383111882 /nfs/dbraw/zinc/11/18/82/383111882.db2.gz NXSAXTRJIYKJQF-AWEZNQCLSA-N -1 3 292.335 2.596 20 5 CFBDHM O=[N+]([O-])c1ccc([O-])cc1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459758107 383296915 /nfs/dbraw/zinc/29/69/15/383296915.db2.gz LESWYTCMMPSZMU-ICCXJUOJSA-N -1 3 262.309 2.579 20 5 CFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263137427 383655240 /nfs/dbraw/zinc/65/52/40/383655240.db2.gz DHWDHZGAKHXHQC-IJLUTSLNSA-N -1 3 292.335 2.698 20 5 CFBDHM C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263329273 383658966 /nfs/dbraw/zinc/65/89/66/383658966.db2.gz LDXVVXPKHPNDCU-WZRBSPASSA-N -1 3 292.335 2.698 20 5 CFBDHM C[C@H]1CCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000330414512 393553210 /nfs/dbraw/zinc/55/32/10/393553210.db2.gz TXMJBTFUQSXKSL-JOYOIKCWSA-N -1 3 250.298 2.579 20 5 CFBDHM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]OC1CCCC1 ZINC000379561688 393554379 /nfs/dbraw/zinc/55/43/79/393554379.db2.gz HYQKOXYWITYQQS-YFHOEESVSA-N -1 3 276.292 2.598 20 5 CFBDHM Cc1ccc([O-])c(CN2CCc3c(cccc3[N+](=O)[O-])C2)n1 ZINC000093443673 393798695 /nfs/dbraw/zinc/79/86/95/393798695.db2.gz FRHQXQZLTVEYLQ-UHFFFAOYSA-N -1 3 299.330 2.562 20 5 CFBDHM O=C(Nc1cccc([O-])c1F)c1ccc(F)cc1[N+](=O)[O-] ZINC000129606114 394091346 /nfs/dbraw/zinc/09/13/46/394091346.db2.gz HWRNPFPSEAFVCT-UHFFFAOYSA-N -1 3 294.213 2.831 20 5 CFBDHM Cc1cc(C(=O)Nc2cccc([O-])c2)cc([N+](=O)[O-])c1 ZINC000135398410 394219334 /nfs/dbraw/zinc/21/93/34/394219334.db2.gz BUMGKSBMWYNTSB-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM C[C@H](C1CCC1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339064571 298263285 /nfs/dbraw/zinc/26/32/85/298263285.db2.gz MRTRNIOTNLIQES-SNVBAGLBSA-N -1 3 264.325 2.921 20 5 CFBDHM CNc1c(C(=O)Nc2cccc([O-])c2)cccc1[N+](=O)[O-] ZINC000349971561 163046175 /nfs/dbraw/zinc/04/61/75/163046175.db2.gz YWEJBSXNGFKAMH-UHFFFAOYSA-N -1 3 287.275 2.594 20 5 CFBDHM Cc1cc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)no1 ZINC000045140527 278730957 /nfs/dbraw/zinc/73/09/57/278730957.db2.gz HZVWMXRYRAABGX-UHFFFAOYSA-N -1 3 267.266 2.513 20 5 CFBDHM Cc1c([N-]c2nc3ccccc3cc2[N+](=O)[O-])cnn1C ZINC000352362232 280250548 /nfs/dbraw/zinc/25/05/48/280250548.db2.gz VHHGMLAVARGKFU-UHFFFAOYSA-N -1 3 283.291 2.929 20 5 CFBDHM O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(F)ccc1[O-] ZINC000179643939 323753957 /nfs/dbraw/zinc/75/39/57/323753957.db2.gz HPLGQZWMJFBFPG-UHFFFAOYSA-N -1 3 290.250 2.621 20 5 CFBDHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn(C(F)F)c2)n1 ZINC000361670292 524338999 /nfs/dbraw/zinc/33/89/99/524338999.db2.gz NXZRSOAYTXGMAP-UHFFFAOYSA-N -1 3 283.238 2.942 20 5 CFBDHM O=C([O-])CCC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000050926082 527575601 /nfs/dbraw/zinc/57/56/01/527575601.db2.gz KFBFLUSOMDREQY-UHFFFAOYSA-N -1 3 292.335 2.672 20 5 CFBDHM O=C([O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000050509156 527654389 /nfs/dbraw/zinc/65/43/89/527654389.db2.gz QWLZLLXUYBSHOC-AWEZNQCLSA-N -1 3 286.287 2.510 20 5 CFBDHM CC1(C)C[C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C(C)(C)O1 ZINC000896518749 619755013 /nfs/dbraw/zinc/75/50/13/619755013.db2.gz WAODRGQTYXVNOJ-SECBINFHSA-N -1 3 295.339 2.701 20 5 CFBDHM C[C@@]1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901512319 620851703 /nfs/dbraw/zinc/85/17/03/620851703.db2.gz DBTZUBKRPHOUTA-CYBMUJFWSA-N -1 3 298.726 2.545 20 5 CFBDHM O=[N+]([O-])c1ccc(Cl)c(CNCc2ncccc2[O-])c1 ZINC000793258753 629516271 /nfs/dbraw/zinc/51/62/71/629516271.db2.gz NNFVNYAKEOUPBI-UHFFFAOYSA-N -1 3 293.710 2.639 20 5 CFBDHM CC(C)(C)CC(=O)[N-]OCc1ccccc1[N+](=O)[O-] ZINC000842060489 631519228 /nfs/dbraw/zinc/51/92/28/631519228.db2.gz LRRYLXUPMATAIC-UHFFFAOYSA-N -1 3 266.297 2.579 20 5 CFBDHM CC(C)(C)CC(=O)[N-]OCc1cccc([N+](=O)[O-])c1 ZINC000842061494 631519386 /nfs/dbraw/zinc/51/93/86/631519386.db2.gz YFUJQTHMNHBIDJ-UHFFFAOYSA-N -1 3 266.297 2.579 20 5 CFBDHM C[C@]1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1(Cl)Cl ZINC000853662681 635066301 /nfs/dbraw/zinc/06/63/01/635066301.db2.gz QYUXXYFGVUQSGG-SECBINFHSA-N -1 3 292.122 2.691 20 5 CFBDHM C[C@]1(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000853711856 635082511 /nfs/dbraw/zinc/08/25/11/635082511.db2.gz ILYPZESCMCAPOR-QWRGUYRKSA-N -1 3 289.694 2.812 20 5 CFBDHM CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000865745743 638550145 /nfs/dbraw/zinc/55/01/45/638550145.db2.gz JXLUNZRWCCRHQP-CQSZACIVSA-N -1 3 294.351 2.738 20 5 CFBDHM CCc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)no1 ZINC001125337598 770159459 /nfs/dbraw/zinc/15/94/59/770159459.db2.gz NEWLJGABDWFUIA-UHFFFAOYSA-N -1 3 279.227 2.537 20 5 CFBDHM O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CC2CCC1CC2 ZINC001225665473 775548746 /nfs/dbraw/zinc/54/87/46/775548746.db2.gz AKGKUXYPCBSSNM-AMUVOQDHSA-N -1 3 264.281 2.653 20 5 CFBDHM C[C@@H]1CCC[C@H](Oc2ncc([N+](=O)[O-])c3nc[n-]c32)C1 ZINC001227691799 776259986 /nfs/dbraw/zinc/25/99/86/776259986.db2.gz QHQJUFALXIVBLF-BDAKNGLRSA-N -1 3 276.296 2.824 20 5 CFBDHM O=[N+]([O-])c1ccc2nc(O[C@@H]3CCc4cccnc43)[n-]c2c1 ZINC001227744005 776277016 /nfs/dbraw/zinc/27/70/16/776277016.db2.gz CPUKSWYEONRLFP-CYBMUJFWSA-N -1 3 296.286 2.932 20 5 CFBDHM O=[N+]([O-])c1ccc2[n-]c(O[C@@H]3CCc4cccnc43)nc2c1 ZINC001227744005 776277025 /nfs/dbraw/zinc/27/70/25/776277025.db2.gz CPUKSWYEONRLFP-CYBMUJFWSA-N -1 3 296.286 2.932 20 5 CFBDHM Cc1cc2[n-]c(O[C@H]3CCOC[C@H]3C)nc2cc1[N+](=O)[O-] ZINC001228675972 776563115 /nfs/dbraw/zinc/56/31/15/776563115.db2.gz BTWHZTRKIFDMQD-RNCFNFMXSA-N -1 3 291.307 2.583 20 5 CFBDHM CC[C@H](COC)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228676258 776563612 /nfs/dbraw/zinc/56/36/12/776563612.db2.gz XVNABYCYDUIDRH-SECBINFHSA-N -1 3 279.296 2.583 20 5 CFBDHM C[C@@H]1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596086075 349790696 /nfs/dbraw/zinc/79/06/96/349790696.db2.gz UUDUZZQZWADARB-NXEZZACHSA-N -1 3 265.313 2.934 20 5 CFBDHM C[C@@H]1CCC[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596073312 349787449 /nfs/dbraw/zinc/78/74/49/349787449.db2.gz JSFVIMNMDRVMAA-RKDXNWHRSA-N -1 3 251.286 2.686 20 5 CFBDHM CC(C)(C)[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])CCO1 ZINC000596180272 349818358 /nfs/dbraw/zinc/81/83/58/349818358.db2.gz RGEXNSRUGBBSSX-GXSJLCMTSA-N -1 3 295.339 2.701 20 5 CFBDHM Cc1cccc([C@@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596195580 349824106 /nfs/dbraw/zinc/82/41/06/349824106.db2.gz SMEOURFPQUNWIG-CYBMUJFWSA-N -1 3 299.330 2.998 20 5 CFBDHM COC1CCC(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596198030 349824923 /nfs/dbraw/zinc/82/49/23/349824923.db2.gz GUZZPQRMTQECPJ-UHFFFAOYSA-N -1 3 295.339 2.703 20 5 CFBDHM Cc1cc([N-]c2cc3n(n2)CCCC3)c([N+](=O)[O-])s1 ZINC000596231094 349834759 /nfs/dbraw/zinc/83/47/59/349834759.db2.gz HYDGURRJUDUEKM-UHFFFAOYSA-N -1 3 278.337 2.663 20 5 CFBDHM CC(C)O[C@H]1C[C@@H](Nc2cc[n-]c(=O)c2[N+](=O)[O-])C1(C)C ZINC000596220113 349830798 /nfs/dbraw/zinc/83/07/98/349830798.db2.gz WGEKYYJVJKTSDD-MNOVXSKESA-N -1 3 295.339 2.699 20 5 CFBDHM CC(C)(CCNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596248321 349839694 /nfs/dbraw/zinc/83/96/94/349839694.db2.gz XILCSMBYIFTZCJ-UHFFFAOYSA-N -1 3 265.313 2.934 20 5 CFBDHM CCC1(c2ccccc2)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596269912 349848924 /nfs/dbraw/zinc/84/89/24/349848924.db2.gz HNEKGYSATFWWRP-UHFFFAOYSA-N -1 3 299.330 2.863 20 5 CFBDHM O=c1[n-]ccc(NCCCC2CCC2)c1[N+](=O)[O-] ZINC000596479931 349914669 /nfs/dbraw/zinc/91/46/69/349914669.db2.gz XFRPFIZMVQMSQW-UHFFFAOYSA-N -1 3 251.286 2.688 20 5 CFBDHM Cc1ccnc([N-]c2cnn(CC(C)C)c2)c1[N+](=O)[O-] ZINC000078521940 347259761 /nfs/dbraw/zinc/25/97/61/347259761.db2.gz MDIAXXIPANAPEB-UHFFFAOYSA-N -1 3 275.312 2.894 20 5 CFBDHM O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc([O-])c1 ZINC000082260049 347442031 /nfs/dbraw/zinc/44/20/31/347442031.db2.gz KJPIUDHHTRRTBW-UHFFFAOYSA-N -1 3 258.233 2.553 20 5 CFBDHM O=[N+]([O-])c1ccc(CNCc2ccc([O-])c(F)c2)cc1 ZINC000120465495 347807201 /nfs/dbraw/zinc/80/72/01/347807201.db2.gz WQEQXDDVECRQET-UHFFFAOYSA-N -1 3 276.267 2.729 20 5 CFBDHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccccc2)s1 ZINC000223236281 348174383 /nfs/dbraw/zinc/17/43/83/348174383.db2.gz PGSKRDFCSCWWLF-UHFFFAOYSA-N -1 3 298.345 2.803 20 5 CFBDHM CCCN(CC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593733572 349316234 /nfs/dbraw/zinc/31/62/34/349316234.db2.gz XCLAMOYIRHKVBM-UHFFFAOYSA-N -1 3 266.297 2.525 20 5 CFBDHM C[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593732562 349316331 /nfs/dbraw/zinc/31/63/31/349316331.db2.gz PBVLTCCNOLHTJH-JTQLQIEISA-N -1 3 278.308 2.525 20 5 CFBDHM CC[C@@H](C)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740138 349318204 /nfs/dbraw/zinc/31/82/04/349318204.db2.gz HXUFZGVGBMYSGZ-SECBINFHSA-N -1 3 266.297 2.523 20 5 CFBDHM Cc1cc([N-]c2cccnc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000612094637 351773954 /nfs/dbraw/zinc/77/39/54/351773954.db2.gz MRHIMLGBBITICH-SNVBAGLBSA-N -1 3 287.323 2.631 20 5 CFBDHM Cc1cc(=O)[n-]c([C@H](C)Sc2ncccc2[N+](=O)[O-])n1 ZINC000154639022 188154774 /nfs/dbraw/zinc/15/47/74/188154774.db2.gz BECVUJSSNZAEBV-QMMMGPOBSA-N -1 3 292.320 2.647 20 5 CFBDHM CC(C)ON=C([O-])Nc1ccc([N+](=O)[O-])cc1Cl ZINC000297445487 200192869 /nfs/dbraw/zinc/19/28/69/200192869.db2.gz LTVWYTSRBGJBSE-UHFFFAOYSA-N -1 3 273.676 2.710 20 5 CFBDHM CC(C)O[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000297445487 200192871 /nfs/dbraw/zinc/19/28/71/200192871.db2.gz LTVWYTSRBGJBSE-UHFFFAOYSA-N -1 3 273.676 2.710 20 5 CFBDHM Cc1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000012021576 371941655 /nfs/dbraw/zinc/94/16/55/371941655.db2.gz XVEUSSJIOIORNO-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM O=C(OC1CCCC1)c1[n-]nc2ccc([N+](=O)[O-])cc21 ZINC000049016209 373249795 /nfs/dbraw/zinc/24/97/95/373249795.db2.gz NQYBKUPXLVYCMF-UHFFFAOYSA-N -1 3 275.264 2.571 20 5 CFBDHM O=C(OC1CCCC1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000049016209 373249800 /nfs/dbraw/zinc/24/98/00/373249800.db2.gz NQYBKUPXLVYCMF-UHFFFAOYSA-N -1 3 275.264 2.571 20 5 CFBDHM O=[N+]([O-])c1cnc(NCc2ccc([O-])c(F)c2)s1 ZINC000083512595 374749172 /nfs/dbraw/zinc/74/91/72/374749172.db2.gz VLKXNFRAJOYSFS-UHFFFAOYSA-N -1 3 269.257 2.508 20 5 CFBDHM C[C@H]1CN(Cc2cc([O-])ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000330457494 378560828 /nfs/dbraw/zinc/56/08/28/378560828.db2.gz QLHCKIRBPOVQKU-SNVBAGLBSA-N -1 3 264.325 2.921 20 5 CFBDHM Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)ccc1[O-] ZINC000353884603 380928416 /nfs/dbraw/zinc/92/84/16/380928416.db2.gz ZNROOXZNIHCBJK-UHFFFAOYSA-N -1 3 286.287 2.539 20 5 CFBDHM Cc1[nH]nc(C(=O)[N-]c2ccc(Cl)cc2F)c1[N+](=O)[O-] ZINC000354237658 381156963 /nfs/dbraw/zinc/15/69/63/381156963.db2.gz GBIKWZGDRHUBGO-UHFFFAOYSA-N -1 3 298.661 2.671 20 5 CFBDHM Cc1cccc([O-])c1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000183032956 381198734 /nfs/dbraw/zinc/19/87/34/381198734.db2.gz KBYFPGFOEGGTFC-UHFFFAOYSA-N -1 3 278.289 2.923 20 5 CFBDHM COc1cc(CNc2cnccc2C)c([N+](=O)[O-])cc1[O-] ZINC000184891159 381493390 /nfs/dbraw/zinc/49/33/90/381493390.db2.gz KVMFDIZQAHFZDK-UHFFFAOYSA-N -1 3 289.291 2.625 20 5 CFBDHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1snnc1C1CC1 ZINC000291197001 381704331 /nfs/dbraw/zinc/70/43/31/381704331.db2.gz PTVORBAWKBLUSZ-UHFFFAOYSA-N -1 3 290.304 2.576 20 5 CFBDHM Cc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000186743330 381999281 /nfs/dbraw/zinc/99/92/81/381999281.db2.gz ZIBFNBASDIEGSM-UHFFFAOYSA-N -1 3 287.275 2.565 20 5 CFBDHM C[C@H](C1CC1)n1cc([N-]c2ncccc2[N+](=O)[O-])cn1 ZINC000302431639 382249329 /nfs/dbraw/zinc/24/93/29/382249329.db2.gz OSMBVRZZWYRTSY-SECBINFHSA-N -1 3 273.296 2.901 20 5 CFBDHM Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000338132791 382929845 /nfs/dbraw/zinc/92/98/45/382929845.db2.gz OFIQZROGNQXTGF-UHFFFAOYSA-N -1 3 281.268 2.751 20 5 CFBDHM C[C@@H]1CCCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000330673684 296357011 /nfs/dbraw/zinc/35/70/11/296357011.db2.gz YSOYDUXBUQUDBH-ZWNOBZJWSA-N -1 3 264.325 2.969 20 5 CFBDHM Cc1cc([N+](=O)[O-])cnc1[N-]c1cc2n(n1)CCCC2 ZINC000286287425 385583198 /nfs/dbraw/zinc/58/31/98/385583198.db2.gz GPCLGHRHOKUHDX-UHFFFAOYSA-N -1 3 273.296 2.575 20 5 CFBDHM C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CC(=O)[O-])C1 ZINC000226421407 393770444 /nfs/dbraw/zinc/77/04/44/393770444.db2.gz UOGKWBOKMSKDAE-NEPJUHHUSA-N -1 3 292.335 2.843 20 5 CFBDHM O=C(Nc1cccc([O-])c1F)c1ccc([N+](=O)[O-])cc1 ZINC000129632384 394091243 /nfs/dbraw/zinc/09/12/43/394091243.db2.gz XFWYIKSVKCEJMV-UHFFFAOYSA-N -1 3 276.223 2.692 20 5 CFBDHM Cc1ccc(CN2CCC[C@@H](CC(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000519631065 394372820 /nfs/dbraw/zinc/37/28/20/394372820.db2.gz ATNJOCXEDFTSHY-LBPRGKRZSA-N -1 3 292.335 2.590 20 5 CFBDHM Cc1noc(C)c1C(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000348002699 154284616 /nfs/dbraw/zinc/28/46/16/154284616.db2.gz JNNMDUKEHLWREH-UHFFFAOYSA-N -1 3 279.227 2.591 20 5 CFBDHM O=C([O-])CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000044428299 175175760 /nfs/dbraw/zinc/17/57/60/175175760.db2.gz VSOUUKDJXWWQQZ-GFCCVEGCSA-N -1 3 292.335 2.672 20 5 CFBDHM CC[C@@H]1C[C@H](C)CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330456459 287300674 /nfs/dbraw/zinc/30/06/74/287300674.db2.gz PDMCQCPKCKCWAM-CMPLNLGQSA-N -1 3 264.325 2.921 20 5 CFBDHM Cc1cccc(C(=O)NCc2cccc([N+](=O)[O-])c2)c1[O-] ZINC000194948167 270248790 /nfs/dbraw/zinc/24/87/90/270248790.db2.gz HIAVLXDYGHIDNR-UHFFFAOYSA-N -1 3 286.287 2.539 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)[O-])CC1 ZINC000563126131 290106031 /nfs/dbraw/zinc/10/60/31/290106031.db2.gz RTDVRGDYMGWHCS-NSHDSACASA-N -1 3 292.335 2.761 20 5 CFBDHM CC=Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000360322575 518551929 /nfs/dbraw/zinc/55/19/29/518551929.db2.gz FBUKCPJYMSHFGZ-NSCUHMNNSA-N -1 3 299.286 2.981 20 5 CFBDHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(C)cc2F)n1 ZINC000191454035 523485913 /nfs/dbraw/zinc/48/59/13/523485913.db2.gz BHHYVMJPMSTTKN-UHFFFAOYSA-N -1 3 292.270 2.511 20 5 CFBDHM O=C([O-])CC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000050925111 527595790 /nfs/dbraw/zinc/59/57/90/527595790.db2.gz JAOQPAGAOYDZBD-ZDUSSCGKSA-N -1 3 292.335 2.814 20 5 CFBDHM CC(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000824230052 607731100 /nfs/dbraw/zinc/73/11/00/607731100.db2.gz YSVHMSXJMMNSNS-SECBINFHSA-N -1 3 290.327 2.621 20 5 CFBDHM CC(C)C[C@@H](C)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000824230052 607731102 /nfs/dbraw/zinc/73/11/02/607731102.db2.gz YSVHMSXJMMNSNS-SECBINFHSA-N -1 3 290.327 2.621 20 5 CFBDHM CC(C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000824229872 607731111 /nfs/dbraw/zinc/73/11/11/607731111.db2.gz WQDUDUXHOJZFAQ-SECBINFHSA-N -1 3 290.327 2.621 20 5 CFBDHM CC(C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000824229872 607731113 /nfs/dbraw/zinc/73/11/13/607731113.db2.gz WQDUDUXHOJZFAQ-SECBINFHSA-N -1 3 290.327 2.621 20 5 CFBDHM C[C@@]1(C(=O)[O-])CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633552 619041602 /nfs/dbraw/zinc/04/16/02/619041602.db2.gz FFUAACHXXONMGV-ZDUSSCGKSA-N -1 3 298.726 2.687 20 5 CFBDHM Cc1ccc(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000263332237 620134560 /nfs/dbraw/zinc/13/45/60/620134560.db2.gz LSPJPDCIJWYDBC-WCQYABFASA-N -1 3 292.335 2.588 20 5 CFBDHM C[C@]1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901512320 620851917 /nfs/dbraw/zinc/85/19/17/620851917.db2.gz DBTZUBKRPHOUTA-ZDUSSCGKSA-N -1 3 298.726 2.545 20 5 CFBDHM C[C@@H](Oc1ccnc(=S)[n-]1)c1ccccc1[N+](=O)[O-] ZINC001226939885 777702873 /nfs/dbraw/zinc/70/28/73/777702873.db2.gz JXRJEQPIASUMSD-MRVPVSSYSA-N -1 3 277.305 2.814 20 5 CFBDHM C[C@@H](Oc1ccnc(=S)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC001226939961 777703877 /nfs/dbraw/zinc/70/38/77/777703877.db2.gz LXWWPBLILWTMOH-MRVPVSSYSA-N -1 3 277.305 2.814 20 5 CFBDHM Cc1cc([N-]C(=O)c2c(Cl)cccc2[N+](=O)[O-])no1 ZINC001125345310 770175302 /nfs/dbraw/zinc/17/53/02/770175302.db2.gz TVLWZADVADAMTA-UHFFFAOYSA-N -1 3 281.655 2.797 20 5 CFBDHM CC(C)C(Oc1nccc([O-])c1[N+](=O)[O-])C(C)C ZINC001225665984 775548457 /nfs/dbraw/zinc/54/84/57/775548457.db2.gz FCDXYWCNDBUNEF-UHFFFAOYSA-N -1 3 254.286 2.755 20 5 CFBDHM CCOC[C@@H](C)Oc1nc2cc([N+](=O)[O-])c(C)cc2[n-]1 ZINC001228675392 776564137 /nfs/dbraw/zinc/56/41/37/776564137.db2.gz PUJZWFRBSJSVJC-SECBINFHSA-N -1 3 279.296 2.583 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H]2CCC(=O)CC2(C)C)c1[N+](=O)[O-] ZINC001228685640 776567629 /nfs/dbraw/zinc/56/76/29/776567629.db2.gz JCXGSTZLEUUNAT-LLVKDONJSA-N -1 3 294.307 2.530 20 5 CFBDHM Cc1[n-]c(=O)cc(OC2Cc3ccccc3C2)c1[N+](=O)[O-] ZINC001228683900 776567960 /nfs/dbraw/zinc/56/79/60/776567960.db2.gz DJZXRBKLCPAJEK-UHFFFAOYSA-N -1 3 286.287 2.550 20 5 CFBDHM CCCC(=O)[C@@H](CCC)Oc1cc(=O)[n-]c(C)c1[N+](=O)[O-] ZINC001228685431 776568071 /nfs/dbraw/zinc/56/80/71/776568071.db2.gz HRQQRKQAYFZCTD-LLVKDONJSA-N -1 3 296.323 2.921 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@H](C)c2ccncc2F)c1[N+](=O)[O-] ZINC001228688654 776569439 /nfs/dbraw/zinc/56/94/39/776569439.db2.gz MEMFNTOVPXALJC-MRVPVSSYSA-N -1 3 293.254 2.678 20 5 CFBDHM Cc1[n-]c(=O)cc(O[C@@H](C)c2ncccc2F)c1[N+](=O)[O-] ZINC001228688621 776569933 /nfs/dbraw/zinc/56/99/33/776569933.db2.gz LJXKJVPBKOGPGA-QMMMGPOBSA-N -1 3 293.254 2.678 20 5 CFBDHM C[C@H](Oc1nccc([O-])c1[N+](=O)[O-])c1ccc(F)cc1 ZINC001225660380 777151400 /nfs/dbraw/zinc/15/14/00/777151400.db2.gz CUPPDRHIKWEMOL-QMMMGPOBSA-N -1 3 278.239 2.975 20 5 CFBDHM CC[C@@H](COc1nc2cc(Cl)c([N+](=O)[O-])cc2[n-]1)OC ZINC001233505899 777974372 /nfs/dbraw/zinc/97/43/72/777974372.db2.gz JOQFOHXEWBKEAL-ZETCQYMHSA-N -1 3 299.714 2.928 20 5 CFBDHM CC[C@@H](COc1nc2cc([N+](=O)[O-])c(Cl)cc2[n-]1)OC ZINC001233505899 777974376 /nfs/dbraw/zinc/97/43/76/777974376.db2.gz JOQFOHXEWBKEAL-ZETCQYMHSA-N -1 3 299.714 2.928 20 5 CFBDHM O=c1[n-]ccc(N[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001118535893 781671751 /nfs/dbraw/zinc/67/17/51/781671751.db2.gz GUXQUDVBNUAHLM-GJMOJQLCSA-N -1 3 285.250 2.541 20 5 CFBDHM O=c1[n-]ccc(N[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001118535899 781671797 /nfs/dbraw/zinc/67/17/97/781671797.db2.gz GUXQUDVBNUAHLM-PRJMDXOYSA-N -1 3 285.250 2.541 20 5 CFBDHM O=C([O-])CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000594527276 349442156 /nfs/dbraw/zinc/44/21/56/349442156.db2.gz JRWQXIIUNSYYHF-UHFFFAOYSA-N -1 3 298.726 2.687 20 5 CFBDHM O=c1[n-]ccc(NC2CCCCCC2)c1[N+](=O)[O-] ZINC000596055805 349782628 /nfs/dbraw/zinc/78/26/28/349782628.db2.gz OESXSKNBYXWKPW-UHFFFAOYSA-N -1 3 251.286 2.830 20 5 CFBDHM O=c1[n-]ccc(NCCC2=CCCCC2)c1[N+](=O)[O-] ZINC000596055385 349782709 /nfs/dbraw/zinc/78/27/09/349782709.db2.gz HWAINBRSLCLIDC-UHFFFAOYSA-N -1 3 263.297 2.998 20 5 CFBDHM C[C@H]1CCC[C@@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC000596086077 349790650 /nfs/dbraw/zinc/79/06/50/349790650.db2.gz UUDUZZQZWADARB-VHSXEESVSA-N -1 3 265.313 2.934 20 5 CFBDHM O=c1[n-]ccc(N[C@@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596147083 349808971 /nfs/dbraw/zinc/80/89/71/349808971.db2.gz RYUDEDQWWLPJQA-DGCLKSJQSA-N -1 3 285.303 2.739 20 5 CFBDHM CCC1(CNc2cc[n-]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596154672 349811119 /nfs/dbraw/zinc/81/11/19/349811119.db2.gz LSVVOMZMJVFODB-UHFFFAOYSA-N -1 3 251.286 2.688 20 5 CFBDHM CC(C)[C@@H]1OCCC[C@H]1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596152951 349810160 /nfs/dbraw/zinc/81/01/60/349810160.db2.gz UYXWSIHXHAZDGG-GWCFXTLKSA-N -1 3 295.339 2.559 20 5 CFBDHM Cc1noc(C)c1[C@H](C)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596175033 349817971 /nfs/dbraw/zinc/81/79/71/349817971.db2.gz OSHBLJLXKNWSNZ-SSDOTTSWSA-N -1 3 292.295 2.516 20 5 CFBDHM CCC1(CC)CN(c2cc[n-]c(=O)c2[N+](=O)[O-])CCS1 ZINC000596194062 349824235 /nfs/dbraw/zinc/82/42/35/349824235.db2.gz DVDXMHMMNDQSIJ-UHFFFAOYSA-N -1 3 297.380 2.807 20 5 CFBDHM O=c1[n-]ccc(N2Cc3ccccc3C3(CC3)C2)c1[N+](=O)[O-] ZINC000596196406 349824955 /nfs/dbraw/zinc/82/49/55/349824955.db2.gz RSLUMEQZTDCKJD-UHFFFAOYSA-N -1 3 297.314 2.747 20 5 CFBDHM CC(F)(F)CCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596256097 349842681 /nfs/dbraw/zinc/84/26/81/349842681.db2.gz ZAUGSDXKBTWEPL-UHFFFAOYSA-N -1 3 261.228 2.543 20 5 CFBDHM O=c1[n-]ccc(NC[C@H]2CC3CCC2CC3)c1[N+](=O)[O-] ZINC000596286964 349853669 /nfs/dbraw/zinc/85/36/69/349853669.db2.gz QRYFLROVAIZOJR-VQXHTEKXSA-N -1 3 277.324 2.934 20 5 CFBDHM Cc1cnc([N-]c2cnn(CC(F)F)c2)c([N+](=O)[O-])c1 ZINC000078664644 347269031 /nfs/dbraw/zinc/26/90/31/347269031.db2.gz CTRAMGJCXUQHCB-UHFFFAOYSA-N -1 3 283.238 2.503 20 5 CFBDHM CC(C)N(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC1CC1 ZINC000593734171 349316051 /nfs/dbraw/zinc/31/60/51/349316051.db2.gz AAJXAZNGAKEZQF-UHFFFAOYSA-N -1 3 292.335 2.913 20 5 CFBDHM CC[C@H]1CCCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593734379 349316420 /nfs/dbraw/zinc/31/64/20/349316420.db2.gz GUPTWKGHSHNIDT-NSHDSACASA-N -1 3 292.335 2.915 20 5 CFBDHM CC[C@H](C)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740139 349317900 /nfs/dbraw/zinc/31/79/00/349317900.db2.gz HXUFZGVGBMYSGZ-VIFPVBQESA-N -1 3 266.297 2.523 20 5 CFBDHM CC[C@@]1(C)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593740584 349318062 /nfs/dbraw/zinc/31/80/62/349318062.db2.gz GRVHTQXYCSHKHA-HNNXBMFYSA-N -1 3 292.335 2.915 20 5 CFBDHM Cc1ccnc([N-]c2cnn3c2CCCC3)c1[N+](=O)[O-] ZINC000601232372 350704726 /nfs/dbraw/zinc/70/47/26/350704726.db2.gz QKUMNCVKTGUFSI-UHFFFAOYSA-N -1 3 273.296 2.575 20 5 CFBDHM CCC(C)(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000601217493 350700129 /nfs/dbraw/zinc/70/01/29/350700129.db2.gz HVGUOOKRMUJOMQ-UHFFFAOYSA-N -1 3 253.302 2.934 20 5 CFBDHM CC[C@@H](C)n1nc([N-]c2cccnc2[N+](=O)[O-])cc1C ZINC000611415506 351687325 /nfs/dbraw/zinc/68/73/25/351687325.db2.gz ZBGQPJFUEWZWBQ-SECBINFHSA-N -1 3 275.312 2.631 20 5 CFBDHM CC(C)CO[N-]C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000158244262 188365242 /nfs/dbraw/zinc/36/52/42/188365242.db2.gz RHVBJKWILJSRMD-UHFFFAOYSA-N -1 3 287.703 2.957 20 5 CFBDHM CC(C)ON=C([O-])Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000297462301 200199134 /nfs/dbraw/zinc/19/91/34/200199134.db2.gz NCJMNZPCTIVWFC-UHFFFAOYSA-N -1 3 273.676 2.710 20 5 CFBDHM CC(C)O[N-]C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000297462301 200199136 /nfs/dbraw/zinc/19/91/36/200199136.db2.gz NCJMNZPCTIVWFC-UHFFFAOYSA-N -1 3 273.676 2.710 20 5 CFBDHM Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](C(=O)[O-])C1 ZINC000263563628 383681376 /nfs/dbraw/zinc/68/13/76/383681376.db2.gz DLNLGTSRLTWPKD-RYUDHWBXSA-N -1 3 292.335 2.761 20 5 CFBDHM CCc1onc(C)c1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000339183552 220262162 /nfs/dbraw/zinc/26/21/62/220262162.db2.gz APAGPXJOTAHHDC-UHFFFAOYSA-N -1 3 293.254 2.845 20 5 CFBDHM Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000174947541 379966840 /nfs/dbraw/zinc/96/68/40/379966840.db2.gz WFTPXYMXOQVGAK-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM Cc1cc(F)c(NC([O-])=NOC(C)C)cc1[N+](=O)[O-] ZINC000296663542 381497999 /nfs/dbraw/zinc/49/79/99/381497999.db2.gz GTBYJHBHHPWNPM-UHFFFAOYSA-N -1 3 271.248 2.504 20 5 CFBDHM Cc1cc(F)c(NC(=O)[N-]OC(C)C)cc1[N+](=O)[O-] ZINC000296663542 381498004 /nfs/dbraw/zinc/49/80/04/381498004.db2.gz GTBYJHBHHPWNPM-UHFFFAOYSA-N -1 3 271.248 2.504 20 5 CFBDHM O=[N+]([O-])c1ccc(NCc2ncccc2[O-])c(Cl)c1 ZINC000359895128 381663789 /nfs/dbraw/zinc/66/37/89/381663789.db2.gz DLZJFDAMOJQBAI-UHFFFAOYSA-N -1 3 279.683 2.961 20 5 CFBDHM Cc1ccc(NCc2ncccc2[O-])c([N+](=O)[O-])c1 ZINC000359904477 381669964 /nfs/dbraw/zinc/66/99/64/381669964.db2.gz SQZLHWCONRRFKQ-UHFFFAOYSA-N -1 3 259.265 2.616 20 5 CFBDHM CCc1nc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)co1 ZINC000346659954 382459779 /nfs/dbraw/zinc/45/97/79/382459779.db2.gz JGGNFUPOQIYFPD-UHFFFAOYSA-N -1 3 279.227 2.537 20 5 CFBDHM Cc1c([N-]c2ncccc2[N+](=O)[O-])cnn1CC(C)C ZINC000346695403 382479683 /nfs/dbraw/zinc/47/96/83/382479683.db2.gz AVTUHIFBQGVZPD-UHFFFAOYSA-N -1 3 275.312 2.894 20 5 CFBDHM C[C@H](NCc1ncccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000579221007 382992540 /nfs/dbraw/zinc/99/25/40/382992540.db2.gz VZVDUDBHXIEJOE-JTQLQIEISA-N -1 3 273.292 2.546 20 5 CFBDHM O=[N+]([O-])c1cc2ccccc2nc1[N-]c1c[nH]cn1 ZINC000550342062 383024991 /nfs/dbraw/zinc/02/49/91/383024991.db2.gz QVAFUIMOAOMHRS-UHFFFAOYSA-N -1 3 255.237 2.610 20 5 CFBDHM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC(C)C ZINC000338907587 383081961 /nfs/dbraw/zinc/08/19/61/383081961.db2.gz ZMMUTDYZTHNFBR-UHFFFAOYSA-N -1 3 252.314 2.778 20 5 CFBDHM CC[C@H](C)[C@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339083974 383143471 /nfs/dbraw/zinc/14/34/71/383143471.db2.gz OOKHTZCYMHMVSA-UWVGGRQHSA-N -1 3 252.314 2.825 20 5 CFBDHM COC[C@@H]1CCCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339099566 383149836 /nfs/dbraw/zinc/14/98/36/383149836.db2.gz XVDMQERTNUESAO-GFCCVEGCSA-N -1 3 294.351 2.549 20 5 CFBDHM Cn1c(C(=O)Nc2cc(Cl)ccc2[O-])ccc1[N+](=O)[O-] ZINC000340235650 383387718 /nfs/dbraw/zinc/38/77/18/383387718.db2.gz JOEOPZBYYDZIQH-UHFFFAOYSA-N -1 3 295.682 2.545 20 5 CFBDHM CSCCON=C([O-])Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000281300049 195187037 /nfs/dbraw/zinc/18/70/37/195187037.db2.gz HUNNIIOUFFICGG-UHFFFAOYSA-N -1 3 299.352 2.628 20 5 CFBDHM CSCCO[N-]C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000281300049 195187038 /nfs/dbraw/zinc/18/70/38/195187038.db2.gz HUNNIIOUFFICGG-UHFFFAOYSA-N -1 3 299.352 2.628 20 5 CFBDHM O=C(Nc1ncccc1[O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000341882611 130108751 /nfs/dbraw/zinc/10/87/51/130108751.db2.gz JFWPMTUYYUQISX-UHFFFAOYSA-N -1 3 299.242 2.694 20 5 CFBDHM Cc1ccc(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000424416695 393844946 /nfs/dbraw/zinc/84/49/46/393844946.db2.gz KXALCXUAKSAUHK-SMDDNHRTSA-N -1 3 292.335 2.588 20 5 CFBDHM O=[N+]([O-])c1ccc(CNCc2ncccc2[O-])c(Cl)c1 ZINC000348262512 154386225 /nfs/dbraw/zinc/38/62/25/154386225.db2.gz OREILWHEDWRHRI-UHFFFAOYSA-N -1 3 293.710 2.639 20 5 CFBDHM CCc1ocnc1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000351748098 163187669 /nfs/dbraw/zinc/18/76/69/163187669.db2.gz FXVYFKCMUUCGKY-UHFFFAOYSA-N -1 3 279.227 2.537 20 5 CFBDHM Cc1cccc(C(=O)Nc2ccc([O-])cc2)c1[N+](=O)[O-] ZINC000020211410 171074868 /nfs/dbraw/zinc/07/48/68/171074868.db2.gz NLGKEZIAONLALZ-UHFFFAOYSA-N -1 3 272.260 2.861 20 5 CFBDHM Cc1c(CN2CCCC[C@H]2CC(=O)[O-])cccc1[N+](=O)[O-] ZINC000038027954 174015815 /nfs/dbraw/zinc/01/58/15/174015815.db2.gz GIPNLDLGDPPGQA-ZDUSSCGKSA-N -1 3 292.335 2.732 20 5 CFBDHM C[C@@H](NC(=O)c1ccccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000055465117 280449913 /nfs/dbraw/zinc/44/99/13/280449913.db2.gz BDFSZYXJOWXKDB-SNVBAGLBSA-N -1 3 286.287 2.791 20 5 CFBDHM CCc1onc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000089397537 280562182 /nfs/dbraw/zinc/56/21/82/280562182.db2.gz SYDGYZJFCXABKP-UHFFFAOYSA-N -1 3 275.264 2.706 20 5 CFBDHM Cc1cc(=O)[n-]c([C@H](C)Sc2ccc([N+](=O)[O-])cn2)n1 ZINC000160347521 322336823 /nfs/dbraw/zinc/33/68/23/322336823.db2.gz JFXAWPNHNZYOEK-QMMMGPOBSA-N -1 3 292.320 2.647 20 5 CFBDHM